A0A087YP58_POEFO Loading...

Exonuclease 3'-5' domain containing 3

AlphaFold DB , UniProt , Accession A0A087YP58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 811 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
1M35.8Very low46.4Very low244 Ų244142.6 Ų142.6100%1.20277%0.765SS**  077.70-69.4176.8171.400106.2
2S34.2Very low49.9Very low106 Ų106136.4 Ų136.474%0.74173%0.732SS**  5592.880.3-168.80000112.8
3L34.7Very low52.8Low183 Ų183128.2 Ų128.296%0.95869%0.69SS**  trans-151.768.1149.2-96.8161.7000105.5
4T37.3Very low55.3Low123 Ų123125.1 Ų125.176%0.75567%0.673SS**  trans-77.2127.9169.3320000109.1L6T4-L6 PolarHBondContact O-N 3.34Å
5S36.5Very low57.5Low99 Ų99124.3 Ų124.369%0.69266%0.663SS**  trans-28.5115.3164.949.80000114.2E7S5-E7 VanDerWaalsContact C-N 3.28Å; S5-E7 PolarHBondContact O-N 3.23Å; S5-E7 VanDerWaalsContact O-N 3.08Å
6L35.7Very low59.5Low175 Ų175116.8 Ų116.892%0.91662%0.623SS**  trans-69.794.9151.6-90.1145.2000106.3T4 E8T4-L6 PolarHBondContact O-N 3.34Å; L6-E8 PolarHBondContact O-N 3.08Å
7E40.8Very low61.2Low157 Ų157110.5 Ų110.573%0.73459%0.591SS**  trans-51.9121.3159.6-71.8175.315500107.4S5 K9S5-E7 VanDerWaalsContact C-N 3.28Å; S5-E7 PolarHBondContact O-N 3.23Å; S5-E7 VanDerWaalsContact O-N 3.08Å; E7-K9 PolarHBondContact O-N 3Å
8E46.6Very low62.7Low199 Ų199111.6 Ų111.693%0.9359%0.592SS**  trans-59.691.7166.4-78.6-176.7149.500107.5L6 G10L6-E8 PolarHBondContact O-N 3.08Å; E8-G10 PolarHBondContact O-N 3.02Å
9K57Low64.1Low194 Ų194111 Ų11184%0.84358%0.583SS**  trans-61.2110.1170-80.9-175.2174.1-177.10107.1E7E7-K9 PolarHBondContact O-N 3Å
10G67.6Low65.4Low36 Ų36105.5 Ų105.537%0.37155%0.554SS.*PPolyproline II helixtrans-52.1156.3171.400000111.1E8 D12E8-G10 PolarHBondContact O-N 3.02Å; G10-D12 PolarHBondContact O-N 2.78Å
11L84.1Confident66.5Low53 Ų53104.7 Ų104.728%0.27755%0.546SS..PPolyproline II helixtrans-59.1133.4-179.5-174.569.9000110.5P13 L16 K42 L43L11-P13 WeakPolarHBondContact O-CD 3.37Å; L11-L16 HydrophobicContact CD2-CB 4.08Å; L11-L16 HydrophobicContact CD2-CD1 4.1Å; L11-L16 HydrophobicContact CD2-CD2 4.18Å; L11-L16 HydrophobicContact CD2-CG 4.34Å; L11-K42 HydrophobicContact CB-CB 3.86Å; L11-K42 HydrophobicContact CD2-CB 4.3Å; L11-K42 PolarHBondContact N-O 3.41Å; L11-L43 HydrophobicContact CB-CD2 4.39Å; L11-L43 WeakPolarHBondContact O-CD2 3.34Å
12D88.1Confident69Low68 Ų6898.7 Ų98.736%0.36452%0.515SS..PPolyproline II helixtrans-67.1123.4175.9-179.4-7.5000110.1G10 L14 Q15 L16G10-D12 PolarHBondContact O-N 2.78Å; D12-L14 PolarHBondContact O-N 3.38Å; D12-L14 PolarHBondContact OD1-N 3.35Å; D12-Q15 HydrophobicContact CB-CB 4.14Å; D12-Q15 HydrophobicContact CB-CG 3.84Å; D12-Q15 PolarHBondContact O-N 2.87Å; D12-L16 PolarHBondContact O-N 3.05Å; D12-L16 VanDerWaalsContact O-N 3.15Å
13P88.6Confident71.6Confident29 Ų2994.6 Ų94.619%0.18849%0.485CS..Hα-helixtrans-54.9-35177.5-2533.7000113.8L11 L16 S17 L43 A49 T52 I53L11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-L16 PolarHBondContact O-N 2.98Å; P13-S17 PolarHBondContact O-N 3.35Å; P13-L43 HydrophobicContact CG-CD2 4.21Å; P13-A49 HydrophobicContact CB-CB 3.86Å; P13-A49 HydrophobicContact CG-CB 3.52Å; P13-T52 HydrophobicContact CB-CG2 4.26Å; P13-I53 HydrophobicContact CB-CD1 4.42Å; P13-I53 HydrophobicContact CB-CG1 4.13Å; P13-I53 VanDerWaalsContact O-CG1 3.29Å; P13-I53 WeakPolarHBondContact O-CG1 3.5Å
14L87.9Confident74.1Confident85 Ų8588.6 Ų88.645%0.44545%0.45SS..Hα-helixtrans-72-38.9-179.2-67.9174.5000111.8D12 L16 S17 E18 T52D12-L14 PolarHBondContact O-N 3.38Å; D12-L14 PolarHBondContact OD1-N 3.35Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 3.27Å; L14-S17 WeakPolarHBondContact O-CA 3.45Å; L14-S17 VanDerWaalsContact O-CB 3.29Å; L14-S17 WeakPolarHBondContact O-CB 3.32Å; L14-S17 PolarHBondContact O-N 3.45Å; L14-S17 VanDerWaalsContact O-N 3.11Å; L14-E18 PolarHBondContact O-N 3.32Å; L14-T52 HydrophobicContact CD2-CG2 4.06Å; L14-T52 HydrophobicContact CG-CG2 4.37Å
15Q88.2Confident76.4Confident113 Ų11389.6 Ų89.653%0.52845%0.446SS..Hα-helixtrans-62.5-38173.1-68179.4-0.700111.7D12 K19D12-Q15 HydrophobicContact CB-CB 4.14Å; D12-Q15 HydrophobicContact CB-CG 3.84Å; D12-Q15 PolarHBondContact O-N 2.87Å; Q15-K19 PolarHBondContact O-N 3.23Å
16L89.4Confident78.8Confident5 Ų591 Ų913%0.02644%0.441CS..Hα-helixtrans-67.8-37.5174.3-174.760.1000111.5L11 D12 P13 L14 K19 F20 F40 L43 I53L11-L16 HydrophobicContact CD2-CB 4.08Å; L11-L16 HydrophobicContact CD2-CD1 4.1Å; L11-L16 HydrophobicContact CD2-CD2 4.18Å; L11-L16 HydrophobicContact CD2-CG 4.34Å; D12-L16 PolarHBondContact O-N 3.05Å; D12-L16 VanDerWaalsContact O-N 3.15Å; P13-L16 PolarHBondContact O-N 2.98Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 3.27Å; L16-K19 PolarHBondContact O-N 2.97Å; L16-F20 HydrophobicContact CD1-CD1 4.5Å; L16-F20 HydrophobicContact CD1-CE1 3.84Å; L16-F20 HydrophobicContact CD1-CE2 4.15Å; L16-F20 HydrophobicContact CD1-CZ 3.64Å; L16-F20 HydrophobicContact CD2-CE2 3.97Å; L16-F20 HydrophobicContact CD2-CZ 3.85Å; L16-F20 HydrophobicContact CG-CD2 4.24Å; L16-F20 HydrophobicContact CG-CE1 4.22Å; L16-F20 HydrophobicContact CG-CE2 3.6Å; L16-F20 HydrophobicContact CG-CZ 3.57Å; L16-F20 WeakPolarHBondContact O-CD2 3.09Å; L16-F20 WeakPolarHBondContact O-CG 3.42Å; L16-F20 PolarHBondContact O-N 3.3Å; L16-F40 HydrophobicContact CD2-CD1 4.03Å; L16-F40 HydrophobicContact CD2-CE1 4.26Å; L16-L43 HydrophobicContact CD2-CD1 4.16Å; L16-L43 HydrophobicContact CD2-CD2 4.26Å; L16-L43 HydrophobicContact CD2-CG 4.38Å; L16-I53 HydrophobicContact CD2-CD1 4.11Å; L16-I53 HydrophobicContact CG-CD1 4.46Å
17S88.3Confident81Confident10 Ų1088.7 Ų88.77%0.0743%0.43CS..Hα-helixtrans-61.2-47.3174.7-166.40000112.3P13 L14 K19 F20 F21 S56P13-S17 PolarHBondContact O-N 3.35Å; L14-S17 WeakPolarHBondContact O-CA 3.45Å; L14-S17 VanDerWaalsContact O-CB 3.29Å; L14-S17 WeakPolarHBondContact O-CB 3.32Å; L14-S17 PolarHBondContact O-N 3.45Å; L14-S17 VanDerWaalsContact O-N 3.11Å; S17-K19 VanDerWaalsContact C-N 3.33Å; S17-K19 PolarHBondContact O-N 2.95Å; S17-F20 WeakPolarHBondContact O-CB 3.44Å; S17-F20 PolarHBondContact O-N 3.28Å; S17-F20 VanDerWaalsContact O-N 3.15Å; S17-F21 PolarHBondContact O-N 3.1Å; S17-S56 PolarHBondContact OG-OG 3.24Å
18E88.1Confident83.3Confident130 Ų13084 Ų8461%0.60741%0.41SS*.Hα-helixtrans-58.2-45.4176.2-72.6177.8167.200111.3L14 F20 F21 E22L14-E18 PolarHBondContact O-N 3.32Å; E18-F20 VanDerWaalsContact C-N 3.34Å; E18-F20 PolarHBondContact O-N 2.69Å; E18-F21 WeakPolarHBondContact O-CB 3.3Å; E18-F21 PolarHBondContact O-N 2.87Å; E18-F21 VanDerWaalsContact O-N 3.11Å; E18-E22 PolarHBondContact O-N 3.01Å
19K89.3Confident85.1Confident100 Ų10078.3 Ų78.344%0.43539%0.385SS..Hα-helixtrans-61.2-40.7175.8-175.3175.4-178.6178.50112.5Q15 L16 S17 F21 L23 A35Q15-K19 PolarHBondContact O-N 3.23Å; L16-K19 PolarHBondContact O-N 2.97Å; S17-K19 VanDerWaalsContact C-N 3.33Å; S17-K19 PolarHBondContact O-N 2.95Å; K19-F21 VanDerWaalsContact C-N 3.33Å; K19-L23 HydrophobicContact CG-CD1 4.1Å; K19-L23 WeakPolarHBondContact O-CB 3.44Å; K19-L23 VanDerWaalsContact O-CG 3.26Å; K19-L23 WeakPolarHBondContact O-CG 3.46Å; K19-L23 PolarHBondContact O-N 2.69Å; K19-L23 VanDerWaalsContact O-N 3.15Å; K19-A35 HydrophobicContact CD-CB 4.42Å
20F90.6Very high86.5Confident0 Ų076.7 Ų76.70%038%0.381CS..Hα-helixtrans-64.2-40.6173.9-67.1-32.1000111.8L16 S17 E18 L23 W24 L32 A35 A36 F40 I53 L68 I72L16-F20 HydrophobicContact CD1-CD1 4.5Å; L16-F20 HydrophobicContact CD1-CE1 3.84Å; L16-F20 HydrophobicContact CD1-CE2 4.15Å; L16-F20 HydrophobicContact CD1-CZ 3.64Å; L16-F20 HydrophobicContact CD2-CE2 3.97Å; L16-F20 HydrophobicContact CD2-CZ 3.85Å; L16-F20 HydrophobicContact CG-CD2 4.24Å; L16-F20 HydrophobicContact CG-CE1 4.22Å; L16-F20 HydrophobicContact CG-CE2 3.6Å; L16-F20 HydrophobicContact CG-CZ 3.57Å; L16-F20 WeakPolarHBondContact O-CD2 3.09Å; L16-F20 WeakPolarHBondContact O-CG 3.42Å; L16-F20 PolarHBondContact O-N 3.3Å; S17-F20 WeakPolarHBondContact O-CB 3.44Å; S17-F20 PolarHBondContact O-N 3.28Å; S17-F20 VanDerWaalsContact O-N 3.15Å; E18-F20 VanDerWaalsContact C-N 3.34Å; E18-F20 PolarHBondContact O-N 2.69Å; F20-L23 PolarHBondContact O-N 3.24Å; F20-W24 WeakPolarHBondContact O-CB 3.24Å; F20-W24 PolarHBondContact O-N 3.23Å; F20-L32 HydrophobicContact CD1-CG 4.35Å; F20-A35 HydrophobicContact CD1-CB 4.37Å; F20-A35 HydrophobicContact CE1-CB 4.06Å; F20-A36 HydrophobicContact CE1-CB 3.89Å; F20-A36 HydrophobicContact CZ-CB 3.96Å; F20-F40 AromaticContact CE2-CE1 3.82Å; F20-F40 HydrophobicContact CE2-CE1 3.82Å; F20-F40 HydrophobicContact CE2-CZ 4.1Å; F20-F40 AromaticContact CZ-CE1 3.82Å; F20-F40 HydrophobicContact CZ-CE1 3.82Å; F20-F40 AromaticContact CZ-CZ 3.96Å; F20-F40 HydrophobicContact CZ-CZ 3.96Å; F20-I53 HydrophobicContact CD2-CG2 4.19Å; F20-I53 HydrophobicContact CE2-CD1 4.37Å; F20-I53 HydrophobicContact CE2-CG2 4.47Å; F20-L68 HydrophobicContact CB-CD1 4.25Å; F20-I72 HydrophobicContact CB-CD1 4.01Å; F20-I72 HydrophobicContact CB-CG1 4.44Å; F20-I72 HydrophobicContact CD2-CD1 3.62Å; F20-I72 HydrophobicContact CD2-CG1 3.83Å; F20-I72 HydrophobicContact CD2-CG2 4.49Å; F20-I72 HydrophobicContact CE2-CD1 4.42Å; F20-I72 HydrophobicContact CE2-CG1 4.3Å; F20-I72 HydrophobicContact CE2-CG2 4.29Å; F20-I72 HydrophobicContact CG-CD1 4.15Å; F20-I72 HydrophobicContact CG-CG1 4.26Å
21F87.4Confident87.5Confident89 Ų8979.2 Ų79.239%0.3938%0.384SS..Hα-helixtrans-63.3-44.7178.7-173-102.3000112.2S17 E18 K19 W24 H25 P58 L68S17-F21 PolarHBondContact O-N 3.1Å; E18-F21 WeakPolarHBondContact O-CB 3.3Å; E18-F21 PolarHBondContact O-N 2.87Å; E18-F21 VanDerWaalsContact O-N 3.11Å; K19-F21 VanDerWaalsContact C-N 3.33Å; F21-W24 WeakPolarHBondContact O-CB 3.46Å; F21-W24 PolarHBondContact O-N 2.96Å; F21-H25 PolarHBondContact O-N 3.35Å; F21-P58 HydrophobicContact CD2-CG 3.87Å; F21-P58 HydrophobicContact CE2-CG 3.32Å; F21-P58 HydrophobicContact CZ-CG 4.14Å; F21-L68 HydrophobicContact CB-CD2 4.09Å; F21-L68 HydrophobicContact CD2-CD2 3.78Å; F21-L68 HydrophobicContact CG-CD2 4.44Å
22E88.5Confident87.8Confident118 Ų11876.8 Ų76.855%0.55137%0.371SS*.Hα-helixtrans-60-49.6175.1-73.3-179.4172.800112.2E18 W24 H25 Q26E18-E22 PolarHBondContact O-N 3.01Å; E22-W24 VanDerWaalsContact C-N 3.27Å; E22-W24 PolarHBondContact O-N 2.89Å; E22-H25 PolarHBondContact O-N 3.04Å; E22-Q26 VanDerWaalsContact O-CG 3.32Å; E22-Q26 WeakPolarHBondContact O-CG 3.32Å; E22-Q26 PolarHBondContact O-N 2.67Å
23L88.3Confident87.8Confident20 Ų2077 Ų7711%0.10537%0.37CS..Hα-helixtrans-65.1-34-179.5-69.2172.3000112.3K19 F20 N27 N28 M31 L32 A35K19-L23 HydrophobicContact CG-CD1 4.1Å; K19-L23 WeakPolarHBondContact O-CB 3.44Å; K19-L23 VanDerWaalsContact O-CG 3.26Å; K19-L23 WeakPolarHBondContact O-CG 3.46Å; K19-L23 PolarHBondContact O-N 2.69Å; K19-L23 VanDerWaalsContact O-N 3.15Å; F20-L23 PolarHBondContact O-N 3.24Å; L23-N27 PolarHBondContact O-N 3.41Å; L23-N28 PolarHBondContact O-N 3.07Å; L23-M31 HydrophobicContact CD1-CB 4.44Å; L23-M31 HydrophobicContact CD2-CB 3.82Å; L23-L32 HydrophobicContact CB-CB 4.23Å; L23-A35 HydrophobicContact CD1-CB 3.67Å
24W87.1Confident87.8Confident58 Ų5879.5 Ų79.522%0.2238%0.381CS..Hα-helixtrans-65.4-45.7173.3179.1-96.6000112F20 F21 E22 Q26 N27 L29 L32 H66 L68 H71F20-W24 WeakPolarHBondContact O-CB 3.24Å; F20-W24 PolarHBondContact O-N 3.23Å; F21-W24 WeakPolarHBondContact O-CB 3.46Å; F21-W24 PolarHBondContact O-N 2.96Å; E22-W24 VanDerWaalsContact C-N 3.27Å; E22-W24 PolarHBondContact O-N 2.89Å; W24-Q26 PolarHBondContact O-N 3.19Å; W24-N27 WeakPolarHBondContact O-CA 3.44Å; W24-N27 PolarHBondContact O-N 3.47Å; W24-L29 HydrophobicContact CE3-CD2 3.9Å; W24-L29 HydrophobicContact CZ3-CD2 3.53Å; W24-L32 HydrophobicContact CB-CD1 4.1Å; W24-L32 HydrophobicContact CE3-CD1 4.06Å; W24-H66 WeakPolarHBondContact CH2-O 3.39Å; W24-H66 WeakPolarHBondContact CZ2-O 3.15Å; W24-L68 HydrophobicContact CB-CD1 3.7Å; W24-L68 HydrophobicContact CB-CD2 4.35Å; W24-L68 HydrophobicContact CB-CG 4.48Å; W24-L68 HydrophobicContact CD2-CB 4.11Å; W24-L68 HydrophobicContact CD2-CD1 4Å; W24-L68 HydrophobicContact CE3-CD1 4.08Å; W24-L68 HydrophobicContact CG-CB 4.09Å; W24-L68 HydrophobicContact CG-CD1 3.82Å; W24-L68 HydrophobicContact CG-CD2 4.43Å; W24-L68 HydrophobicContact CG-CG 4.34Å; W24-H71 AromaticContact CH2-CD2 3.31Å; W24-H71 WeakPolarHBondContact CH2-CD2 3.09Å; W24-H71 AromaticContact CH2-NE2 3.47Å; W24-H71 WeakPolarHBondContact CH2-NE2 3.44Å; W24-H71 HydrophobicContact CZ3-CB 4.3Å; W24-H71 AromaticContact CZ3-CD2 3.08Å; W24-H71 WeakPolarHBondContact CZ3-CD2 3.39Å; W24-H71 AromaticContact CZ3-CG 3.69Å; W24-H71 AromaticContact CZ3-NE2 3.48Å; W24-H71 WeakPolarHBondContact CZ3-NE2 3.38Å
25H85.3Confident87.8Confident143 Ų14375.7 Ų75.766%0.66236%0.362SS*.Hα-helixtrans-65.3-30.5178.5-157-71.4000112.5F21 E22 N27F21-H25 PolarHBondContact O-N 3.35Å; E22-H25 PolarHBondContact O-N 3.04Å; H25-N27 PolarHBondContact O-N 3.46Å
26Q87Confident87.9Confident129 Ų12970.3 Ų70.360%0.60334%0.337SS*.THydrogen-bonded Turntrans-78.30.7172.7-66.1170.714.500113.3E22 W24 N28E22-Q26 VanDerWaalsContact O-CG 3.32Å; E22-Q26 WeakPolarHBondContact O-CG 3.32Å; E22-Q26 PolarHBondContact O-N 2.67Å; W24-Q26 PolarHBondContact O-N 3.19Å; Q26-N28 HydrophobicContact CB-CB 4.4Å; Q26-N28 PolarHBondContact O-N 3.18Å
27N83.3Confident87.6Confident127 Ų12773.3 Ų73.368%0.67935%0.352SS*.THydrogen-bonded Turntrans55.528.9-176.9-144.617.6000113.4L23 W24 H25 L29L23-N27 PolarHBondContact O-N 3.41Å; W24-N27 WeakPolarHBondContact O-CA 3.44Å; W24-N27 PolarHBondContact O-N 3.47Å; H25-N27 PolarHBondContact O-N 3.46Å; N27-L29 PolarHBondContact O-N 2.86Å
28N88.1Confident87.6Confident58 Ų5878.1 Ų78.131%0.3137%0.374SS..  trans-10071.7-173.6-165-18.5000111.5L23 Q26 Q30 M31 L32L23-N28 PolarHBondContact O-N 3.07Å; Q26-N28 HydrophobicContact CB-CB 4.4Å; Q26-N28 PolarHBondContact O-N 3.18Å; N28-Q30 VanDerWaalsContact C-N 3.28Å; N28-Q30 PolarHBondContact O-N 3.4Å; N28-M31 HydrophobicContact CB-CB 4.36Å; N28-M31 VanDerWaalsContact ND2-CG 3.29Å; N28-M31 WeakPolarHBondContact ND2-CG 3.39Å; N28-M31 PolarHBondContact O-N 3.41Å; N28-M31 WeakPolarHBondContact OD1-CB 3.29Å; N28-M31 WeakPolarHBondContact OD1-CG 3.38Å; N28-M31 PolarHBondContact OD1-N 2.88Å; N28-L32 PolarHBondContact O-N 3.49Å
29L84.7Confident87.6Confident80 Ų8072.1 Ų72.142%0.41935%0.347SS..Hα-helixtrans-62.2-31.2-175-62.5177.7000113.7W24 N27 L32 H33W24-L29 HydrophobicContact CE3-CD2 3.9Å; W24-L29 HydrophobicContact CZ3-CD2 3.53Å; N27-L29 PolarHBondContact O-N 2.86Å; L29-L32 PolarHBondContact O-N 3.26Å; L29-H33 WeakPolarHBondContact O-CB 3.24Å; L29-H33 PolarHBondContact O-N 3.47Å
30Q87.4Confident87.6Confident159 Ų15967.4 Ų67.474%0.74333%0.327SS*.Hα-helixtrans-66.8-44.5176.6-78.4-178.4-1600111.8N28 L32 H33 L34N28-Q30 VanDerWaalsContact C-N 3.28Å; N28-Q30 PolarHBondContact O-N 3.4Å; Q30-L32 VanDerWaalsContact C-N 3.31Å; Q30-H33 PolarHBondContact O-N 3.15Å; Q30-L34 PolarHBondContact O-N 3.28Å; Q30-L34 VanDerWaalsContact O-N 3.08Å
31M88.3Confident87.5Confident89 Ų8969.9 Ų69.944%0.43834%0.344SS..Hα-helixtrans-70-31.8176.7-71-59.3-6400111.9L23 N28 L34 A35L23-M31 HydrophobicContact CD1-CB 4.44Å; L23-M31 HydrophobicContact CD2-CB 3.82Å; N28-M31 HydrophobicContact CB-CB 4.36Å; N28-M31 VanDerWaalsContact ND2-CG 3.29Å; N28-M31 WeakPolarHBondContact ND2-CG 3.39Å; N28-M31 PolarHBondContact O-N 3.41Å; N28-M31 WeakPolarHBondContact OD1-CB 3.29Å; N28-M31 WeakPolarHBondContact OD1-CG 3.38Å; N28-M31 PolarHBondContact OD1-N 2.88Å; M31-L34 PolarHBondContact O-N 3.47Å; M31-L34 HydrophobicContact SD-CD1 3.93Å; M31-A35 VanDerWaalsContact O-CB 3.24Å; M31-A35 WeakPolarHBondContact O-CB 3.35Å; M31-A35 PolarHBondContact O-N 3.23Å
32L89Confident87.5Confident2 Ų272 Ų721%0.0135%0.353CS..Hα-helixtrans-62.6-46.6172.2-171.5152.9000111.2F20 L23 W24 N28 L29 Q30 L34 A35 A36 L68 E75F20-L32 HydrophobicContact CD1-CG 4.35Å; L23-L32 HydrophobicContact CB-CB 4.23Å; W24-L32 HydrophobicContact CB-CD1 4.1Å; W24-L32 HydrophobicContact CE3-CD1 4.06Å; N28-L32 PolarHBondContact O-N 3.49Å; L29-L32 PolarHBondContact O-N 3.26Å; Q30-L32 VanDerWaalsContact C-N 3.31Å; L32-L34 PolarHBondContact O-N 2.84Å; L32-A35 PolarHBondContact O-N 3.22Å; L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 3.33Å; L32-L68 HydrophobicContact CD1-CD1 3.93Å; L32-E75 HydrophobicContact CD2-CG 4.41Å
33H88.5Confident87.5Confident73 Ų7367 Ų6734%0.33833%0.33SS..Hα-helixtrans-57-48174.7174.574.6000112.1L29 Q30 A35 A36 I37 E75L29-H33 WeakPolarHBondContact O-CB 3.24Å; L29-H33 PolarHBondContact O-N 3.47Å; Q30-H33 PolarHBondContact O-N 3.15Å; H33-A35 PolarHBondContact O-N 3.19Å; H33-A36 WeakPolarHBondContact O-CB 3.46Å; H33-A36 PolarHBondContact O-N 2.9Å; H33-I37 VanDerWaalsContact CE1-CD1 3.44Å; H33-I37 WeakPolarHBondContact CE1-CD1 3.29Å; H33-I37 VanDerWaalsContact NE2-CD1 3.3Å; H33-I37 WeakPolarHBondContact NE2-CD1 3.44Å; H33-I37 PolarHBondContact O-N 3.31Å; H33-E75 IonicContact CE1-OE2 2.69Å; H33-E75 PolarHBondContact CE1-OE2 3.21Å; H33-E75 IonicContact CG-OE1 3.29Å; H33-E75 IonicContact CG-OE2 3.41Å; H33-E75 IonicContact ND1-OE1 2.74Å; H33-E75 PolarHBondContact ND1-OE1 3.26Å; H33-E75 VanDerWaalsContact ND1-OE1 3.11Å; H33-E75 IonicContact ND1-OE2 2.96Å; H33-E75 PolarHBondContact ND1-OE2 2.81Å
34L88.4Confident87.4Confident82 Ų8270.8 Ų70.843%0.42936%0.358SS..Hα-helixtrans-61-44.9175.9-81.2156.6000112.4Q30 M31 L32 A36 Q38Q30-L34 PolarHBondContact O-N 3.28Å; Q30-L34 VanDerWaalsContact O-N 3.08Å; M31-L34 PolarHBondContact O-N 3.47Å; M31-L34 HydrophobicContact SD-CD1 3.93Å; L32-L34 PolarHBondContact O-N 2.84Å; L34-A36 PolarHBondContact O-N 3.39Å; L34-Q38 WeakPolarHBondContact O-CB 3.5Å; L34-Q38 WeakPolarHBondContact O-CG 3.48Å; L34-Q38 PolarHBondContact O-N 3.15Å; L34-Q38 VanDerWaalsContact O-N 3.15Å
35A88.7Confident87.4Confident5 Ų572.3 Ų72.34%0.04137%0.367CS..Hα-helixtrans-62.9-34.3176.600000111.6K19 F20 L23 M31 L32 H33 G39K19-A35 HydrophobicContact CD-CB 4.42Å; F20-A35 HydrophobicContact CD1-CB 4.37Å; F20-A35 HydrophobicContact CE1-CB 4.06Å; L23-A35 HydrophobicContact CD1-CB 3.67Å; M31-A35 VanDerWaalsContact O-CB 3.24Å; M31-A35 WeakPolarHBondContact O-CB 3.35Å; M31-A35 PolarHBondContact O-N 3.23Å; L32-A35 PolarHBondContact O-N 3.22Å; H33-A35 PolarHBondContact O-N 3.19Å; A35-G39 WeakPolarHBondContact O-CA 3.34Å; A35-G39 PolarHBondContact O-N 2.91Å
36A89.1Confident87.6Confident0 Ų066.2 Ų66.20%034%0.34CS..Hα-helixtrans-68.6-52.5179.400000111.5F20 L32 H33 L34 Q38 G39 F40 E75F20-A36 HydrophobicContact CE1-CB 3.89Å; F20-A36 HydrophobicContact CZ-CB 3.96Å; L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 3.33Å; H33-A36 WeakPolarHBondContact O-CB 3.46Å; H33-A36 PolarHBondContact O-N 2.9Å; L34-A36 PolarHBondContact O-N 3.39Å; A36-Q38 VanDerWaalsContact C-N 3.33Å; A36-Q38 PolarHBondContact O-N 2.98Å; A36-G39 PolarHBondContact O-N 3.43Å; A36-F40 HydrophobicContact CB-CD2 4.24Å; A36-F40 HydrophobicContact CB-CE2 3.68Å; A36-F40 HydrophobicContact CB-CZ 4.09Å; A36-F40 WeakPolarHBondContact O-CB 3.16Å; A36-F40 WeakPolarHBondContact O-CD2 3.33Å; A36-F40 WeakPolarHBondContact O-CG 3.33Å; A36-F40 PolarHBondContact O-N 3.24Å; A36-E75 HydrophobicContact CB-CB 3.83Å; A36-E75 HydrophobicContact CB-CG 4.17Å
37I84.9Confident87.8Confident68 Ų6860.8 Ų60.835%0.34932%0.316SS..Hα-helixtrans-58.2-45.6178.9-66.9173000111.5H33 S41H33-I37 VanDerWaalsContact CE1-CD1 3.44Å; H33-I37 WeakPolarHBondContact CE1-CD1 3.29Å; H33-I37 VanDerWaalsContact NE2-CD1 3.3Å; H33-I37 WeakPolarHBondContact NE2-CD1 3.44Å; H33-I37 PolarHBondContact O-N 3.31Å; I37-S41 PolarHBondContact O-OG 2.95Å
38Q87Confident88.3Confident110 Ų11057.4 Ų57.451%0.51430%0.296SS..Hα-helixtrans-73.2-39.1-179.3-68.3-179.43.700112.5L34 A36 K42L34-Q38 WeakPolarHBondContact O-CB 3.5Å; L34-Q38 WeakPolarHBondContact O-CG 3.48Å; L34-Q38 PolarHBondContact O-N 3.15Å; L34-Q38 VanDerWaalsContact O-N 3.15Å; A36-Q38 VanDerWaalsContact C-N 3.33Å; A36-Q38 PolarHBondContact O-N 2.98Å; Q38-K42 WeakPolarHBondContact O-CG 3.26Å
39G88.4Confident88.5Confident5 Ų555 Ų555%0.05228%0.283CS..Hα-helixtrans-69.2-49.3-177.700000112A35 A36 S41 K42A35-G39 WeakPolarHBondContact O-CA 3.34Å; A35-G39 PolarHBondContact O-N 2.91Å; A36-G39 PolarHBondContact O-N 3.43Å; G39-S41 PolarHBondContact O-N 3.23Å; G39-K42 PolarHBondContact O-N 3.38Å
40F90.5Very high88.8Confident1 Ų151.1 Ų51.10%0.00426%0.263CS..Hα-helixtrans-60.4-34.6-179.3-61.4-34000112.7L16 F20 A36 K42 L43 I72 E75 F76 W79L16-F40 HydrophobicContact CD2-CD1 4.03Å; L16-F40 HydrophobicContact CD2-CE1 4.26Å; F20-F40 AromaticContact CE2-CE1 3.82Å; F20-F40 HydrophobicContact CE2-CE1 3.82Å; F20-F40 HydrophobicContact CE2-CZ 4.1Å; F20-F40 AromaticContact CZ-CE1 3.82Å; F20-F40 HydrophobicContact CZ-CE1 3.82Å; F20-F40 AromaticContact CZ-CZ 3.96Å; F20-F40 HydrophobicContact CZ-CZ 3.96Å; A36-F40 HydrophobicContact CB-CD2 4.24Å; A36-F40 HydrophobicContact CB-CE2 3.68Å; A36-F40 HydrophobicContact CB-CZ 4.09Å; A36-F40 WeakPolarHBondContact O-CB 3.16Å; A36-F40 WeakPolarHBondContact O-CD2 3.33Å; A36-F40 WeakPolarHBondContact O-CG 3.33Å; A36-F40 PolarHBondContact O-N 3.24Å; F40-K42 PolarHBondContact O-N 2.96Å; F40-L43 HydrophobicContact CD1-CD1 3.85Å; F40-L43 PolarHBondContact O-N 3.36Å; F40-I72 HydrophobicContact CZ-CG2 4.14Å; F40-E75 HydrophobicContact CE2-CB 4.14Å; F40-F76 AromaticContact CD1-CD2 3.92Å; F40-F76 HydrophobicContact CD1-CD2 3.92Å; F40-F76 HydrophobicContact CD1-CE2 4.43Å; F40-F76 HydrophobicContact CD2-CB 4.43Å; F40-F76 AromaticContact CD2-CD2 3.99Å; F40-F76 HydrophobicContact CD2-CD2 3.99Å; F40-F76 AromaticContact CE1-CD2 3.93Å; F40-F76 HydrophobicContact CE1-CD2 3.93Å; F40-F76 HydrophobicContact CE2-CB 3.81Å; F40-F76 HydrophobicContact CE2-CD2 4.01Å; F40-F76 HydrophobicContact CE2-CG 4.38Å; F40-F76 AromaticContact CG-CD2 3.96Å; F40-F76 HydrophobicContact CG-CD2 3.96Å; F40-F76 HydrophobicContact CG-CE2 4.49Å; F40-F76 HydrophobicContact CZ-CB 3.97Å; F40-F76 AromaticContact CZ-CD2 3.98Å; F40-F76 HydrophobicContact CZ-CD2 3.98Å; F40-W79 VanDerWaalsContact C-CZ2 3.42Å; F40-W79 HydrophobicContact CB-CD2 3.61Å; F40-W79 HydrophobicContact CB-CE3 3.91Å; F40-W79 HydrophobicContact CB-CG 4.09Å; F40-W79 HydrophobicContact CB-CH2 3.94Å; F40-W79 HydrophobicContact CB-CZ2 3.73Å; F40-W79 HydrophobicContact CB-CZ3 4.07Å; F40-W79 HydrophobicContact CD2-CB 4.08Å; F40-W79 HydrophobicContact CD2-CD2 4.17Å; F40-W79 HydrophobicContact CD2-CE3 4.37Å; F40-W79 HydrophobicContact CD2-CG 4.05Å; F40-W79 HydrophobicContact CG-CD2 4.32Å; F40-W79 HydrophobicContact CG-CE3 4.42Å; F40-W79 WeakPolarHBondContact O-CZ2 3.13Å
41S87.4Confident89.1Confident52 Ų5243.6 Ų43.636%0.36423%0.228SC..THydrogen-bonded Turntrans-67.9-14.1176.8-56.40000114.4I37 G39 W79I37-S41 PolarHBondContact O-OG 2.95Å; G39-S41 PolarHBondContact O-N 3.23Å; S41-W79 PolarHBondContact OG-NE1 3.07Å
42K88.5Confident89.3Confident133 Ų13341 Ų4158%0.57822%0.218SC*.THydrogen-bonded Turntrans-104.2-1.8179.8-65.2177.4-179.8-175.80113.4L11 Q38 G39 F40L11-K42 HydrophobicContact CB-CB 3.86Å; L11-K42 HydrophobicContact CD2-CB 4.3Å; L11-K42 PolarHBondContact N-O 3.41Å; Q38-K42 WeakPolarHBondContact O-CG 3.26Å; G39-K42 PolarHBondContact O-N 3.38Å; F40-K42 PolarHBondContact O-N 2.96Å
43L87.9Confident89.4Confident14 Ų1441 Ų417%0.07322%0.217CC..  trans-77.7134.7177.1-64.3171.2000109.8L11 P13 L16 F40 P46 A49L11-L43 HydrophobicContact CB-CD2 4.39Å; L11-L43 WeakPolarHBondContact O-CD2 3.34Å; P13-L43 HydrophobicContact CG-CD2 4.21Å; L16-L43 HydrophobicContact CD2-CD1 4.16Å; L16-L43 HydrophobicContact CD2-CD2 4.26Å; L16-L43 HydrophobicContact CD2-CG 4.38Å; F40-L43 HydrophobicContact CD1-CD1 3.85Å; F40-L43 PolarHBondContact O-N 3.36Å; L43-P46 HydrophobicContact CB-CB 4.41Å; L43-P46 HydrophobicContact CB-CG 4.13Å; L43-A49 HydrophobicContact CB-CB 4.38Å; L43-A49 HydrophobicContact CD1-CB 3.68Å; L43-A49 HydrophobicContact CD2-CB 3.95Å; L43-A49 HydrophobicContact CG-CB 4.22Å
44S85.2Confident89.4Confident98 Ų9837.5 Ų37.569%0.68520%0.201SC*.SBendtrans-69.8-41175.743.90000112.1
45E88.2Confident89.5Confident90 Ų9038 Ų3842%0.42120%0.201SC..SBendtrans-128.380.5178.9-61.4-166.7139.500110.8L47 E48 A49 K95E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.23Å; E45-E48 HydrophobicContact CB-CB 4.21Å; E45-E48 PolarHBondContact O-N 3.05Å; E45-E48 VanDerWaalsContact OE2-OE2 3.12Å; E45-A49 VanDerWaalsContact O-CB 3.24Å; E45-A49 WeakPolarHBondContact O-CB 3.33Å; E45-A49 PolarHBondContact O-N 3.22Å; E45-K95 IonicContact OE1-NZ 3.82Å; E45-K95 PolarHBondContact OE1-NZ 3.38Å; E45-K95 IonicContact OE2-NZ 3.83Å; E45-K95 PolarHBondContact OE2-NZ 3.08Å
46P89.6Confident89.4Confident15 Ų1540.1 Ų40.110%0.09722%0.216CC..Hα-helixtrans-61.7-34.2-167.8-26.836000115.1L43 L50 F76 W79 M86L43-P46 HydrophobicContact CB-CB 4.41Å; L43-P46 HydrophobicContact CB-CG 4.13Å; P46-L50 WeakPolarHBondContact O-CB 3.38Å; P46-L50 PolarHBondContact O-N 3.28Å; P46-F76 HydrophobicContact CB-CE2 4.08Å; P46-F76 HydrophobicContact CB-CZ 4.12Å; P46-F76 WeakPolarHBondContact O-CE2 3.36Å; P46-W79 HydrophobicContact CB-CH2 3.61Å; P46-W79 HydrophobicContact CB-CZ3 3.85Å; P46-W79 HydrophobicContact CG-CH2 3.81Å; P46-M86 HydrophobicContact CB-CE 4.46Å; P46-M86 HydrophobicContact CB-SD 4.48Å; P46-M86 HydrophobicContact CG-CE 4.13Å; P46-M86 HydrophobicContact CG-SD 3.81Å
47L91Very high89Confident16 Ų1640.7 Ų40.78%0.08422%0.22CC..Hα-helixtrans-68.2-45.6177.9-68.5173.1000111.3E45 L50 L51 F76 L88 L91 L99 I121 Y122E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.23Å; L47-L50 PolarHBondContact O-N 2.7Å; L47-L51 PolarHBondContact O-N 3.44Å; L47-F76 HydrophobicContact CD2-CE1 4.24Å; L47-F76 HydrophobicContact CD2-CZ 4.29Å; L47-L88 HydrophobicContact CD1-CD1 4.39Å; L47-L91 HydrophobicContact CD1-CD1 4.06Å; L47-L99 HydrophobicContact CB-CD1 4.15Å; L47-I121 HydrophobicContact CD2-CG2 3.74Å; L47-Y122 HydrophobicContact CB-CE1 4.29Å; L47-Y122 HydrophobicContact CD2-CE1 4.43Å; L47-Y122 PolarHBondContact O-OH 3.32Å
48E92.8Very high88.1Confident56 Ų5641.9 Ų41.926%0.26223%0.232SC..Hα-helixtrans-67.2-44.1177.3-171.4167.1163.800111.5E45 L50 L51 T52 K95 L99 R102E45-E48 HydrophobicContact CB-CB 4.21Å; E45-E48 PolarHBondContact O-N 3.05Å; E45-E48 VanDerWaalsContact OE2-OE2 3.12Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 2.97Å; E48-L51 PolarHBondContact O-N 2.88Å; E48-L51 VanDerWaalsContact O-N 3.15Å; E48-T52 PolarHBondContact O-N 3.39Å; E48-T52 PolarHBondContact O-OG1 3.03Å; E48-K95 WeakPolarHBondContact OE2-CE 3.32Å; E48-K95 IonicContact OE2-NZ 2.67Å; E48-K95 PolarHBondContact OE2-NZ 2.96Å; E48-L99 HydrophobicContact CB-CD2 3.79Å; E48-L99 HydrophobicContact CG-CD2 3.81Å; E48-R102 IonicContact OE1-NH1 3.56Å
49A92.1Very high86.7Confident6 Ų639.5 Ų39.55%0.0524%0.237CC..Hα-helixtrans-59.5-38.1177.400000112.7P13 L43 E45 L51 T52 I53P13-A49 HydrophobicContact CB-CB 3.86Å; P13-A49 HydrophobicContact CG-CB 3.52Å; L43-A49 HydrophobicContact CB-CB 4.38Å; L43-A49 HydrophobicContact CD1-CB 3.68Å; L43-A49 HydrophobicContact CD2-CB 3.95Å; L43-A49 HydrophobicContact CG-CB 4.22Å; E45-A49 VanDerWaalsContact O-CB 3.24Å; E45-A49 WeakPolarHBondContact O-CB 3.33Å; E45-A49 PolarHBondContact O-N 3.22Å; A49-L51 PolarHBondContact O-N 2.93Å; A49-T52 PolarHBondContact O-N 3.11Å; A49-I53 WeakPolarHBondContact O-CD1 3.3Å; A49-I53 WeakPolarHBondContact O-CG1 3.3Å; A49-I53 PolarHBondContact O-N 2.98Å
50L92.7Very high85.1Confident0 Ų048.5 Ų48.50%028%0.275CS..Hα-helixtrans-59.1-46.8174.8177.365.4000111.4P46 L47 E48 T52 I53 L54 I72 L73 F76 I121 Y122P46-L50 WeakPolarHBondContact O-CB 3.38Å; P46-L50 PolarHBondContact O-N 3.28Å; L47-L50 PolarHBondContact O-N 2.7Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 2.97Å; L50-T52 VanDerWaalsContact C-N 3.35Å; L50-I53 PolarHBondContact O-N 3.41Å; L50-L54 HydrophobicContact CD1-CD1 4.03Å; L50-L54 HydrophobicContact CD1-CG 4.11Å; L50-L54 HydrophobicContact CD2-CD1 4.49Å; L50-L54 HydrophobicContact CG-CD1 3.93Å; L50-L54 HydrophobicContact CG-CG 4.36Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 2.84Å; L50-I72 HydrophobicContact CD1-CG2 4Å; L50-L73 HydrophobicContact CD2-CD1 4.1Å; L50-F76 HydrophobicContact CB-CD2 4.11Å; L50-F76 HydrophobicContact CB-CE2 3.91Å; L50-F76 HydrophobicContact CB-CZ 4.17Å; L50-F76 HydrophobicContact CD1-CB 3.88Å; L50-F76 HydrophobicContact CD1-CD2 3.87Å; L50-F76 HydrophobicContact CD1-CG 3.84Å; L50-F76 HydrophobicContact CD2-CB 4.2Å; L50-F76 HydrophobicContact CD2-CD1 3.46Å; L50-F76 VanDerWaalsContact CD2-CD1 3.46Å; L50-F76 HydrophobicContact CD2-CD2 4.09Å; L50-F76 HydrophobicContact CD2-CE1 3.72Å; L50-F76 HydrophobicContact CD2-CE2 4.31Å; L50-F76 HydrophobicContact CD2-CG 3.64Å; L50-F76 HydrophobicContact CD2-CZ 4.13Å; L50-F76 HydrophobicContact CG-CD1 4.45Å; L50-F76 HydrophobicContact CG-CD2 4.23Å; L50-F76 HydrophobicContact CG-CE2 4.47Å; L50-F76 HydrophobicContact CG-CG 4.2Å; L50-I121 HydrophobicContact CD2-CD1 4.32Å; L50-Y122 HydrophobicContact CD2-CE2 4.3Å; L50-Y122 WeakPolarHBondContact CD2-OH 3.37Å
51L92.6Very high83.4Confident0 Ų049.4 Ų49.40%028%0.279CS..Hα-helixtrans-62.5-44.2178.4-63.6179.9000111L47 E48 A49 I53 L54 E55 L99 R102 A103 L106 Y122L47-L51 PolarHBondContact O-N 3.44Å; E48-L51 PolarHBondContact O-N 2.88Å; E48-L51 VanDerWaalsContact O-N 3.15Å; A49-L51 PolarHBondContact O-N 2.93Å; L51-I53 VanDerWaalsContact C-N 3.32Å; L51-I53 PolarHBondContact O-N 3.15Å; L51-L54 PolarHBondContact O-N 3.42Å; L51-E55 WeakPolarHBondContact O-CB 3.45Å; L51-E55 WeakPolarHBondContact O-CG 3.22Å; L51-E55 PolarHBondContact O-N 3.41Å; L51-L99 HydrophobicContact CD1-CB 4.16Å; L51-L99 HydrophobicContact CD1-CD2 3.96Å; L51-L99 VanDerWaalsContact CD1-O 3.28Å; L51-L99 WeakPolarHBondContact CD1-O 3.29Å; L51-R102 HydrophobicContact CD1-CB 3.64Å; L51-A103 HydrophobicContact CD1-CB 4.3Å; L51-A103 HydrophobicContact CD2-CB 3.88Å; L51-L106 HydrophobicContact CD2-CD1 3.73Å; L51-Y122 HydrophobicContact CD1-CD1 4.36Å; L51-Y122 HydrophobicContact CD1-CE1 3.73Å; L51-Y122 HydrophobicContact CD2-CD2 4.37Å; L51-Y122 HydrophobicContact CD2-CE1 4.13Å; L51-Y122 HydrophobicContact CD2-CE2 3.6Å; L51-Y122 VanDerWaalsContact CD2-CZ 3.48Å; L51-Y122 WeakPolarHBondContact CD2-OH 3.4Å; L51-Y122 HydrophobicContact CG-CE1 3.91Å; L51-Y122 HydrophobicContact CG-CE2 4.23Å; L51-Y122 WeakPolarHBondContact CG-OH 3.48Å
52T92.5Very high81.8Confident36 Ų3652.3 Ų52.322%0.22129%0.285CS..Hα-helixtrans-58.3-43.8176.6-57.10000111.8P13 L14 E48 A49 L50 S56 R102P13-T52 HydrophobicContact CB-CG2 4.26Å; L14-T52 HydrophobicContact CD2-CG2 4.06Å; L14-T52 HydrophobicContact CG-CG2 4.37Å; E48-T52 PolarHBondContact O-N 3.39Å; E48-T52 PolarHBondContact O-OG1 3.03Å; A49-T52 PolarHBondContact O-N 3.11Å; L50-T52 VanDerWaalsContact C-N 3.35Å; T52-S56 WeakPolarHBondContact O-CB 3.29Å; T52-S56 PolarHBondContact O-N 2.93Å; T52-S56 VanDerWaalsContact O-N 3.14Å; T52-S56 PolarHBondContact O-OG 3.47Å; T52-R102 PolarHBondContact OG1-NH2 3.19Å
53I91.1Very high80Confident0 Ų046 Ų460%026%0.257CS..Hα-helixtrans-63.2-47.7176.2-68162.7000110.5P13 L16 F20 A49 L50 L51 E55 S56 C57 I72P13-I53 HydrophobicContact CB-CD1 4.42Å; P13-I53 HydrophobicContact CB-CG1 4.13Å; P13-I53 VanDerWaalsContact O-CG1 3.29Å; P13-I53 WeakPolarHBondContact O-CG1 3.5Å; L16-I53 HydrophobicContact CD2-CD1 4.11Å; L16-I53 HydrophobicContact CG-CD1 4.46Å; F20-I53 HydrophobicContact CD2-CG2 4.19Å; F20-I53 HydrophobicContact CE2-CD1 4.37Å; F20-I53 HydrophobicContact CE2-CG2 4.47Å; A49-I53 WeakPolarHBondContact O-CD1 3.3Å; A49-I53 WeakPolarHBondContact O-CG1 3.3Å; A49-I53 PolarHBondContact O-N 2.98Å; L50-I53 PolarHBondContact O-N 3.41Å; L51-I53 VanDerWaalsContact C-N 3.32Å; L51-I53 PolarHBondContact O-N 3.15Å; I53-E55 PolarHBondContact O-N 2.88Å; I53-S56 PolarHBondContact O-N 3.11Å; I53-S56 PolarHBondContact O-OG 3.41Å; I53-C57 PolarHBondContact O-N 3.17Å; I53-C57 PolarHBondContact O-SG 3.41Å; I53-I72 HydrophobicContact CG2-CD1 3.79Å; I53-I72 HydrophobicContact CG2-CG2 3.98Å
54L89.3Confident78.8Confident1 Ų151.6 Ų51.61%0.00528%0.278CS..Hα-helixtrans-65.8-36.7-179-68.5176000112.9L50 L51 S56 C57 Q61 G69 I72 L73 L106 L118L50-L54 HydrophobicContact CD1-CD1 4.03Å; L50-L54 HydrophobicContact CD1-CG 4.11Å; L50-L54 HydrophobicContact CD2-CD1 4.49Å; L50-L54 HydrophobicContact CG-CD1 3.93Å; L50-L54 HydrophobicContact CG-CG 4.36Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 2.84Å; L51-L54 PolarHBondContact O-N 3.42Å; L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 2.94Å; L54-C57 PolarHBondContact O-N 3.34Å; L54-Q61 PolarHBondContact O-NE2 2.91Å; L54-G69 WeakPolarHBondContact CD2-O 3.24Å; L54-I72 HydrophobicContact CD2-CB 4.41Å; L54-I72 HydrophobicContact CD2-CG2 4.3Å; L54-L73 HydrophobicContact CD1-CD1 4.31Å; L54-L106 HydrophobicContact CB-CD1 3.81Å; L54-L106 HydrophobicContact CD1-CD1 4.11Å; L54-L118 HydrophobicContact CD1-CD2 4.06Å
55E89.2Confident77.9Confident91 Ų9150.6 Ų50.643%0.42527%0.27SS..Hα-helixtrans-65.4-31.6174.8-72.8163.5179.500112L51 I53 R102 L106L51-E55 WeakPolarHBondContact O-CB 3.45Å; L51-E55 WeakPolarHBondContact O-CG 3.22Å; L51-E55 PolarHBondContact O-N 3.41Å; I53-E55 PolarHBondContact O-N 2.88Å; E55-R102 IonicContact OE1-CZ 3.81Å; E55-R102 IonicContact OE1-NE 3.85Å; E55-R102 PolarHBondContact OE1-NE 3.5Å; E55-R102 IonicContact OE1-NH2 3.82Å; E55-R102 PolarHBondContact OE1-NH2 3.29Å; E55-R102 IonicContact OE2-CZ 3.11Å; E55-R102 IonicContact OE2-NE 2.67Å; E55-R102 IonicContact OE2-NH2 2.7Å; E55-R102 PolarHBondContact OE2-NH2 2.72Å; E55-L106 HydrophobicContact CG-CD2 3.96Å
56S86.6Confident77.1Confident51 Ų5151.3 Ų51.336%0.35727%0.274SS..Hα-helixtrans-82.3-14.5179.472.40000115.1S17 T52 I53 L54S17-S56 PolarHBondContact OG-OG 3.24Å; T52-S56 WeakPolarHBondContact O-CB 3.29Å; T52-S56 PolarHBondContact O-N 2.93Å; T52-S56 VanDerWaalsContact O-N 3.14Å; T52-S56 PolarHBondContact O-OG 3.47Å; I53-S56 PolarHBondContact O-N 3.11Å; I53-S56 PolarHBondContact O-OG 3.41Å; L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 2.94Å
57C81.9Confident76.7Confident11 Ų1152.1 Ų52.17%0.07428%0.279CS..SBendtrans-68.5134.7-177.2-74.40000111.9I53 L54I53-C57 PolarHBondContact O-N 3.17Å; I53-C57 PolarHBondContact O-SG 3.41Å; L54-C57 PolarHBondContact O-N 3.34Å
58P64.8Low76.4Confident93 Ų9352 Ų5260%0.60428%0.278SS*.SBendtrans-72.3143-174.622.8-28.9000114.2F21F21-P58 HydrophobicContact CD2-CG 3.87Å; F21-P58 HydrophobicContact CE2-CG 3.32Å; F21-P58 HydrophobicContact CZ-CG 4.14Å
59G58.3Low76.1Confident60 Ų6049.4 Ų49.462%0.61927%0.266SS*.SBendtrans97.4151.5178.600000113.3Q61G59-Q61 PolarHBondContact O-N 3.39Å
60K54.5Low75.8Confident194 Ų19450.3 Ų50.384%0.84327%0.268SS*.  trans-54.4112.5162.2-75.4-176179.4-178.80105.2K62K60-K62 PolarHBondContact O-N 3Å
61Q56.1Low75.6Confident21 Ų2152.4 Ų52.410%0.09828%0.278CS..  trans-61.265.4180-71.4-103.815.300109.9L54 G59 G63L54-Q61 PolarHBondContact O-NE2 2.91Å; G59-Q61 PolarHBondContact O-N 3.39Å; Q61-G63 VanDerWaalsContact C-N 3.32Å; Q61-G63 PolarHBondContact O-N 2.93Å
62K52.3Low75.4Confident112 Ų11252.4 Ų52.449%0.48728%0.278SS..  trans-65.3104.3163-70.6-179.8179.3175.40102.1K60 R64 T67 D109K60-K62 PolarHBondContact O-N 3Å; K62-R64 HydrophobicContact CB-CG 4.25Å; K62-R64 PolarHBondContact O-N 3.47Å; K62-T67 VanDerWaalsContact O-CG2 3.26Å; K62-T67 WeakPolarHBondContact O-CG2 3.32Å; K62-D109 WeakPolarHBondContact CA-OD2 3.47Å
63G51.4Low75.4Confident0 Ų050.7 Ų50.70%027%0.267CS..  trans-65.342.5-168.200000113.4Q61 D109 Q111Q61-G63 VanDerWaalsContact C-N 3.32Å; Q61-G63 PolarHBondContact O-N 2.93Å; G63-D109 PolarHBondContact N-OD2 3.29Å; G63-Q111 WeakPolarHBondContact O-CB 3.27Å; G63-Q111 WeakPolarHBondContact O-CG 3.49Å; G63-Q111 PolarHBondContact O-NE2 3.15Å; G63-Q111 VanDerWaalsContact O-NE2 3.1Å; G63-Q111 PolarHBondContact O-OE1 2.87Å
64R62.5Low75.3Confident133 Ų13353 Ų5350%0.50228%0.279SS..  trans-65.1146.9179-57.8-179.2174.2-175.6-6.3107.8K62 H66 T67K62-R64 HydrophobicContact CB-CG 4.25Å; K62-R64 PolarHBondContact O-N 3.47Å; R64-H66 VanDerWaalsContact CB-CE1 3.42Å; R64-H66 WeakPolarHBondContact CB-CE1 3.22Å; R64-H66 VanDerWaalsContact CD-CE1 3.42Å; R64-H66 WeakPolarHBondContact CD-CE1 3.43Å; R64-H66 PolarHBondContact O-N 3.32Å; R64-T67 HydrophobicContact CB-CG2 4.19Å; R64-T67 PolarHBondContact O-N 3.15Å; R64-T67 PolarHBondContact O-OG1 3.48Å
65S65.5Low75.4Confident76 Ų7654.8 Ų54.853%0.53129%0.287SS..THydrogen-bonded Turntrans-62.72.2-176.859.40000115.3H71S65-H71 PolarHBondContact O-NE2 3Å; S65-H71 VanDerWaalsContact O-NE2 3.15Å
66H71.4Confident75.5Confident106 Ų10650.5 Ų50.549%0.49127%0.267SS..THydrogen-bonded Turntrans-121.615.6178.661.4-97.6000111.9W24 R64W24-H66 WeakPolarHBondContact CH2-O 3.39Å; W24-H66 WeakPolarHBondContact CZ2-O 3.15Å; R64-H66 VanDerWaalsContact CB-CE1 3.42Å; R64-H66 WeakPolarHBondContact CB-CE1 3.22Å; R64-H66 VanDerWaalsContact CD-CE1 3.42Å; R64-H66 WeakPolarHBondContact CD-CE1 3.43Å; R64-H66 PolarHBondContact O-N 3.32Å
67T82.1Confident75.7Confident32 Ų3249.8 Ų49.820%0.19626%0.258CS..SBendtrans-91.6145.8171.962.50000110.3K62 R64 G69 Y70 H71K62-T67 VanDerWaalsContact O-CG2 3.26Å; K62-T67 WeakPolarHBondContact O-CG2 3.32Å; R64-T67 HydrophobicContact CB-CG2 4.19Å; R64-T67 PolarHBondContact O-N 3.15Å; R64-T67 PolarHBondContact O-OG1 3.48Å; T67-G69 VanDerWaalsContact C-N 3.29Å; T67-G69 PolarHBondContact O-N 2.91Å; T67-Y70 WeakPolarHBondContact O-CB 3.49Å; T67-Y70 PolarHBondContact O-N 3.39Å; T67-Y70 WeakPolarHBondContact OG1-CB 3.24Å; T67-Y70 PolarHBondContact OG1-N 3.36Å; T67-H71 PolarHBondContact O-CD2 3.3Å; T67-H71 VanDerWaalsContact O-CD2 3.29Å; T67-H71 PolarHBondContact O-N 3.36Å
68L85.4Confident76Confident13 Ų1352.4 Ų52.47%0.06827%0.274CS..Hα-helixtrans-53.1-47.2177.1177.854.8000112F20 F21 W24 L32 Y70 H71 I72F20-L68 HydrophobicContact CB-CD1 4.25Å; F21-L68 HydrophobicContact CB-CD2 4.09Å; F21-L68 HydrophobicContact CD2-CD2 3.78Å; F21-L68 HydrophobicContact CG-CD2 4.44Å; W24-L68 HydrophobicContact CB-CD1 3.7Å; W24-L68 HydrophobicContact CB-CD2 4.35Å; W24-L68 HydrophobicContact CB-CG 4.48Å; W24-L68 HydrophobicContact CD2-CB 4.11Å; W24-L68 HydrophobicContact CD2-CD1 4Å; W24-L68 HydrophobicContact CE3-CD1 4.08Å; W24-L68 HydrophobicContact CG-CB 4.09Å; W24-L68 HydrophobicContact CG-CD1 3.82Å; W24-L68 HydrophobicContact CG-CD2 4.43Å; W24-L68 HydrophobicContact CG-CG 4.34Å; L32-L68 HydrophobicContact CD1-CD1 3.93Å; L68-Y70 VanDerWaalsContact C-N 3.29Å; L68-Y70 PolarHBondContact O-N 2.93Å; L68-H71 PolarHBondContact O-N 3.01Å; L68-H71 VanDerWaalsContact O-N 3.12Å; L68-I72 HydrophobicContact CD1-CD1 3.72Å; L68-I72 HydrophobicContact CD1-CG1 3.96Å; L68-I72 HydrophobicContact CD2-CD1 4.35Å; L68-I72 HydrophobicContact CG-CD1 3.64Å; L68-I72 HydrophobicContact CG-CG1 4.33Å; L68-I72 WeakPolarHBondContact O-CG1 3.28Å; L68-I72 PolarHBondContact O-N 3.02Å
69G86.2Confident77.2Confident1 Ų148.5 Ų48.51%0.0125%0.247CC..Hα-helixtrans-60.3-35.4178.200000113.8L54 T67 L73L54-G69 WeakPolarHBondContact CD2-O 3.24Å; T67-G69 VanDerWaalsContact C-N 3.29Å; T67-G69 PolarHBondContact O-N 2.91Å; G69-L73 VanDerWaalsContact O-CB 3.31Å; G69-L73 WeakPolarHBondContact O-CB 3.32Å; G69-L73 PolarHBondContact O-N 2.95Å
70Y86.3Confident78.6Confident26 Ų2647.7 Ų47.710%0.10223%0.228CC..Hα-helixtrans-63.2-48.1173.3178.9-93.8000111.2T67 L68 L73 M74 N113 F114T67-Y70 WeakPolarHBondContact O-CB 3.49Å; T67-Y70 PolarHBondContact O-N 3.39Å; T67-Y70 WeakPolarHBondContact OG1-CB 3.24Å; T67-Y70 PolarHBondContact OG1-N 3.36Å; L68-Y70 VanDerWaalsContact C-N 3.29Å; L68-Y70 PolarHBondContact O-N 2.93Å; Y70-L73 PolarHBondContact O-N 3.47Å; Y70-M74 HydrophobicContact CD1-CG 4.12Å; Y70-M74 HydrophobicContact CE1-CG 3.68Å; Y70-M74 HydrophobicContact CE2-CG 4.13Å; Y70-M74 HydrophobicContact CE2-SD 4.13Å; Y70-M74 VanDerWaalsContact O-CG 3.3Å; Y70-M74 WeakPolarHBondContact O-CG 3.16Å; Y70-M74 PolarHBondContact O-N 2.74Å; Y70-N113 HydrophobicContact CE2-CB 3.82Å; Y70-N113 PolarHBondContact OH-ND2 3.33Å; Y70-F114 HydrophobicContact CD2-CB 4.18Å; Y70-F114 HydrophobicContact CD2-CD2 4.31Å
71H87.1Confident80.1Confident43 Ų4345.6 Ų45.620%0.19922%0.218CC..Hα-helixtrans-62.3-46.7179.3-76.3-81.6000112.1W24 S65 T67 L68 L73 M74 E75W24-H71 AromaticContact CH2-CD2 3.31Å; W24-H71 WeakPolarHBondContact CH2-CD2 3.09Å; W24-H71 AromaticContact CH2-NE2 3.47Å; W24-H71 WeakPolarHBondContact CH2-NE2 3.44Å; W24-H71 HydrophobicContact CZ3-CB 4.3Å; W24-H71 AromaticContact CZ3-CD2 3.08Å; W24-H71 WeakPolarHBondContact CZ3-CD2 3.39Å; W24-H71 AromaticContact CZ3-CG 3.69Å; W24-H71 AromaticContact CZ3-NE2 3.48Å; W24-H71 WeakPolarHBondContact CZ3-NE2 3.38Å; S65-H71 PolarHBondContact O-NE2 3Å; S65-H71 VanDerWaalsContact O-NE2 3.15Å; T67-H71 PolarHBondContact O-CD2 3.3Å; T67-H71 VanDerWaalsContact O-CD2 3.29Å; T67-H71 PolarHBondContact O-N 3.36Å; L68-H71 PolarHBondContact O-N 3.01Å; L68-H71 VanDerWaalsContact O-N 3.12Å; H71-L73 VanDerWaalsContact C-N 3.3Å; H71-L73 PolarHBondContact O-N 3.39Å; H71-M74 PolarHBondContact O-N 3.47Å; H71-E75 WeakPolarHBondContact O-CG 3.49Å; H71-E75 PolarHBondContact O-N 3.07Å
72I90.1Very high81.3Confident1 Ų151.9 Ų51.91%0.00525%0.248CC..Hα-helixtrans-57.1-45.3177.1-67.9169.4000110.7F20 F40 L50 I53 L54 L68 M74 E75 F76F20-I72 HydrophobicContact CB-CD1 4.01Å; F20-I72 HydrophobicContact CB-CG1 4.44Å; F20-I72 HydrophobicContact CD2-CD1 3.62Å; F20-I72 HydrophobicContact CD2-CG1 3.83Å; F20-I72 HydrophobicContact CD2-CG2 4.49Å; F20-I72 HydrophobicContact CE2-CD1 4.42Å; F20-I72 HydrophobicContact CE2-CG1 4.3Å; F20-I72 HydrophobicContact CE2-CG2 4.29Å; F20-I72 HydrophobicContact CG-CD1 4.15Å; F20-I72 HydrophobicContact CG-CG1 4.26Å; F40-I72 HydrophobicContact CZ-CG2 4.14Å; L50-I72 HydrophobicContact CD1-CG2 4Å; I53-I72 HydrophobicContact CG2-CD1 3.79Å; I53-I72 HydrophobicContact CG2-CG2 3.98Å; L54-I72 HydrophobicContact CD2-CB 4.41Å; L54-I72 HydrophobicContact CD2-CG2 4.3Å; L68-I72 HydrophobicContact CD1-CD1 3.72Å; L68-I72 HydrophobicContact CD1-CG1 3.96Å; L68-I72 HydrophobicContact CD2-CD1 4.35Å; L68-I72 HydrophobicContact CG-CD1 3.64Å; L68-I72 HydrophobicContact CG-CG1 4.33Å; L68-I72 WeakPolarHBondContact O-CG1 3.28Å; L68-I72 PolarHBondContact O-N 3.02Å; I72-M74 PolarHBondContact O-N 2.77Å; I72-E75 PolarHBondContact O-N 2.89Å; I72-F76 WeakPolarHBondContact O-CB 3.3Å; I72-F76 PolarHBondContact O-N 3.08Å
73L90.4Very high82.6Confident0 Ų052.2 Ų52.20%025%0.246CC..Hα-helixtrans-63.2-42.3179.2-178.865.3000112.4L50 L54 G69 Y70 H71 F76 Q77 F114 T117 L118 I121L50-L73 HydrophobicContact CD2-CD1 4.1Å; L54-L73 HydrophobicContact CD1-CD1 4.31Å; G69-L73 VanDerWaalsContact O-CB 3.31Å; G69-L73 WeakPolarHBondContact O-CB 3.32Å; G69-L73 PolarHBondContact O-N 2.95Å; Y70-L73 PolarHBondContact O-N 3.47Å; H71-L73 VanDerWaalsContact C-N 3.3Å; H71-L73 PolarHBondContact O-N 3.39Å; L73-F76 PolarHBondContact O-N 3.28Å; L73-Q77 WeakPolarHBondContact O-CB 3.42Å; L73-Q77 PolarHBondContact O-N 2.89Å; L73-F114 HydrophobicContact CB-CD2 4.44Å; L73-F114 HydrophobicContact CB-CE2 4.32Å; L73-F114 HydrophobicContact CD2-CB 4.4Å; L73-F114 HydrophobicContact CD2-CD2 3.33Å; L73-F114 HydrophobicContact CD2-CE2 3.61Å; L73-F114 HydrophobicContact CD2-CG 3.88Å; L73-F114 HydrophobicContact CD2-CZ 4.36Å; L73-T117 HydrophobicContact CD1-CG2 3.9Å; L73-T117 HydrophobicContact CD2-CG2 4.02Å; L73-T117 HydrophobicContact CG-CG2 3.7Å; L73-L118 HydrophobicContact CD1-CD2 3.85Å; L73-L118 HydrophobicContact CD1-CG 4.06Å; L73-L118 HydrophobicContact CD2-CD1 4.48Å; L73-L118 HydrophobicContact CD2-CD2 4.5Å; L73-L118 HydrophobicContact CD2-CG 3.84Å; L73-I121 HydrophobicContact CD1-CD1 3.73Å
74M89.7Confident83.3Confident49 Ų4957.2 Ų57.224%0.24128%0.279CS..Hα-helixtrans-68-38.2178.4-65.8-51.7-56.300112.2Y70 H71 I72 Q77 T78Y70-M74 HydrophobicContact CD1-CG 4.12Å; Y70-M74 HydrophobicContact CE1-CG 3.68Å; Y70-M74 HydrophobicContact CE2-CG 4.13Å; Y70-M74 HydrophobicContact CE2-SD 4.13Å; Y70-M74 VanDerWaalsContact O-CG 3.3Å; Y70-M74 WeakPolarHBondContact O-CG 3.16Å; Y70-M74 PolarHBondContact O-N 2.74Å; H71-M74 PolarHBondContact O-N 3.47Å; I72-M74 PolarHBondContact O-N 2.77Å; M74-Q77 PolarHBondContact O-N 3.4Å; M74-T78 PolarHBondContact O-N 3.18Å; M74-T78 PolarHBondContact O-OG1 3.39Å
75E91.1Very high83.3Confident37 Ų3759 Ų5917%0.17329%0.293CS..Hα-helixtrans-65.1-43.4173.7-69.3-58.7164.300111.2L32 H33 A36 F40 H71 I72 Q77 T78 W79L32-E75 HydrophobicContact CD2-CG 4.41Å; H33-E75 IonicContact CE1-OE2 2.69Å; H33-E75 PolarHBondContact CE1-OE2 3.21Å; H33-E75 IonicContact CG-OE1 3.29Å; H33-E75 IonicContact CG-OE2 3.41Å; H33-E75 IonicContact ND1-OE1 2.74Å; H33-E75 PolarHBondContact ND1-OE1 3.26Å; H33-E75 VanDerWaalsContact ND1-OE1 3.11Å; H33-E75 IonicContact ND1-OE2 2.96Å; H33-E75 PolarHBondContact ND1-OE2 2.81Å; A36-E75 HydrophobicContact CB-CB 3.83Å; A36-E75 HydrophobicContact CB-CG 4.17Å; F40-E75 HydrophobicContact CE2-CB 4.14Å; H71-E75 WeakPolarHBondContact O-CG 3.49Å; H71-E75 PolarHBondContact O-N 3.07Å; I72-E75 PolarHBondContact O-N 2.89Å; E75-Q77 PolarHBondContact O-N 3.03Å; E75-T78 PolarHBondContact O-N 2.87Å; E75-W79 WeakPolarHBondContact O-CB 3.48Å; E75-W79 PolarHBondContact O-N 2.87Å
76F91.4Very high83.5Confident2 Ų258.1 Ų58.11%0.00928%0.281CS..Hα-helixtrans-62.5-43.3176.4-170-84.1000111.6F40 P46 L47 L50 I72 L73 T78 W79 M80 I121F40-F76 AromaticContact CD1-CD2 3.92Å; F40-F76 HydrophobicContact CD1-CD2 3.92Å; F40-F76 HydrophobicContact CD1-CE2 4.43Å; F40-F76 HydrophobicContact CD2-CB 4.43Å; F40-F76 AromaticContact CD2-CD2 3.99Å; F40-F76 HydrophobicContact CD2-CD2 3.99Å; F40-F76 AromaticContact CE1-CD2 3.93Å; F40-F76 HydrophobicContact CE1-CD2 3.93Å; F40-F76 HydrophobicContact CE2-CB 3.81Å; F40-F76 HydrophobicContact CE2-CD2 4.01Å; F40-F76 HydrophobicContact CE2-CG 4.38Å; F40-F76 AromaticContact CG-CD2 3.96Å; F40-F76 HydrophobicContact CG-CD2 3.96Å; F40-F76 HydrophobicContact CG-CE2 4.49Å; F40-F76 HydrophobicContact CZ-CB 3.97Å; F40-F76 AromaticContact CZ-CD2 3.98Å; F40-F76 HydrophobicContact CZ-CD2 3.98Å; P46-F76 HydrophobicContact CB-CE2 4.08Å; P46-F76 HydrophobicContact CB-CZ 4.12Å; P46-F76 WeakPolarHBondContact O-CE2 3.36Å; L47-F76 HydrophobicContact CD2-CE1 4.24Å; L47-F76 HydrophobicContact CD2-CZ 4.29Å; L50-F76 HydrophobicContact CB-CD2 4.11Å; L50-F76 HydrophobicContact CB-CE2 3.91Å; L50-F76 HydrophobicContact CB-CZ 4.17Å; L50-F76 HydrophobicContact CD1-CB 3.88Å; L50-F76 HydrophobicContact CD1-CD2 3.87Å; L50-F76 HydrophobicContact CD1-CG 3.84Å; L50-F76 HydrophobicContact CD2-CB 4.2Å; L50-F76 HydrophobicContact CD2-CD1 3.46Å; L50-F76 VanDerWaalsContact CD2-CD1 3.46Å; L50-F76 HydrophobicContact CD2-CD2 4.09Å; L50-F76 HydrophobicContact CD2-CE1 3.72Å; L50-F76 HydrophobicContact CD2-CE2 4.31Å; L50-F76 HydrophobicContact CD2-CG 3.64Å; L50-F76 HydrophobicContact CD2-CZ 4.13Å; L50-F76 HydrophobicContact CG-CD1 4.45Å; L50-F76 HydrophobicContact CG-CD2 4.23Å; L50-F76 HydrophobicContact CG-CE2 4.47Å; L50-F76 HydrophobicContact CG-CG 4.2Å; I72-F76 WeakPolarHBondContact O-CB 3.3Å; I72-F76 PolarHBondContact O-N 3.08Å; L73-F76 PolarHBondContact O-N 3.28Å; F76-T78 VanDerWaalsContact C-N 3.29Å; F76-T78 PolarHBondContact O-N 2.93Å; F76-W79 HydrophobicContact CD2-CE3 4.13Å; F76-W79 HydrophobicContact CD2-CZ3 4.24Å; F76-W79 HydrophobicContact CE1-CZ3 4.42Å; F76-W79 AromaticContact CE2-CE3 3.97Å; F76-W79 HydrophobicContact CE2-CE3 3.97Å; F76-W79 AromaticContact CE2-CZ3 3.62Å; F76-W79 HydrophobicContact CE2-CZ3 3.62Å; F76-W79 HydrophobicContact CZ-CE3 4.21Å; F76-W79 AromaticContact CZ-CZ3 3.74Å; F76-W79 HydrophobicContact CZ-CZ3 3.74Å; F76-W79 PolarHBondContact O-N 3.37Å; F76-M80 HydrophobicContact CE1-CB 4.46Å; F76-M80 HydrophobicContact CE1-SD 4.07Å; F76-M80 VanDerWaalsContact O-CB 3.29Å; F76-M80 WeakPolarHBondContact O-CB 3.31Å; F76-M80 PolarHBondContact O-N 3.04Å; F76-I121 HydrophobicContact CD1-CD1 4.14Å; F76-I121 HydrophobicContact CE1-CG2 4.47Å
77Q90.8Very high83.8Confident36 Ų3654.6 Ų54.617%0.16827%0.268CS..Hα-helixtrans-59.7-41.1175.2-175.2-172.755.500111.7L73 M74 E75 M80 K81 T117L73-Q77 WeakPolarHBondContact O-CB 3.42Å; L73-Q77 PolarHBondContact O-N 2.89Å; M74-Q77 PolarHBondContact O-N 3.4Å; E75-Q77 PolarHBondContact O-N 3.03Å; Q77-M80 PolarHBondContact O-N 3.05Å; Q77-K81 WeakPolarHBondContact O-CG 3.35Å; Q77-K81 PolarHBondContact O-N 3.22Å; Q77-T117 HydrophobicContact CB-CG2 3.85Å; Q77-T117 HydrophobicContact CG-CG2 4Å; Q77-T117 PolarHBondContact NE2-OG1 3.47Å
78T89.3Confident83.9Confident66 Ų6653.5 Ų53.541%0.40526%0.261SS..Hα-helixtrans-65.6-47.3178.4-57.60000110.7M74 E75 F76 M80 K81M74-T78 PolarHBondContact O-N 3.18Å; M74-T78 PolarHBondContact O-OG1 3.39Å; E75-T78 PolarHBondContact O-N 2.87Å; F76-T78 VanDerWaalsContact C-N 3.29Å; F76-T78 PolarHBondContact O-N 2.93Å; T78-M80 VanDerWaalsContact C-N 3.32Å; T78-M80 PolarHBondContact O-N 3.37Å; T78-K81 PolarHBondContact O-N 3.42Å
79W89.7Confident83.6Confident10 Ų1057.4 Ų57.44%0.03829%0.29CS..Hα-helixtrans-60.3-39.5175.817481.9000112.8F40 S41 P46 E75 F76 K81 E82 M86F40-W79 VanDerWaalsContact C-CZ2 3.42Å; F40-W79 HydrophobicContact CB-CD2 3.61Å; F40-W79 HydrophobicContact CB-CE3 3.91Å; F40-W79 HydrophobicContact CB-CG 4.09Å; F40-W79 HydrophobicContact CB-CH2 3.94Å; F40-W79 HydrophobicContact CB-CZ2 3.73Å; F40-W79 HydrophobicContact CB-CZ3 4.07Å; F40-W79 HydrophobicContact CD2-CB 4.08Å; F40-W79 HydrophobicContact CD2-CD2 4.17Å; F40-W79 HydrophobicContact CD2-CE3 4.37Å; F40-W79 HydrophobicContact CD2-CG 4.05Å; F40-W79 HydrophobicContact CG-CD2 4.32Å; F40-W79 HydrophobicContact CG-CE3 4.42Å; F40-W79 WeakPolarHBondContact O-CZ2 3.13Å; S41-W79 PolarHBondContact OG-NE1 3.07Å; P46-W79 HydrophobicContact CB-CH2 3.61Å; P46-W79 HydrophobicContact CB-CZ3 3.85Å; P46-W79 HydrophobicContact CG-CH2 3.81Å; E75-W79 WeakPolarHBondContact O-CB 3.48Å; E75-W79 PolarHBondContact O-N 2.87Å; F76-W79 HydrophobicContact CD2-CE3 4.13Å; F76-W79 HydrophobicContact CD2-CZ3 4.24Å; F76-W79 HydrophobicContact CE1-CZ3 4.42Å; F76-W79 AromaticContact CE2-CE3 3.97Å; F76-W79 HydrophobicContact CE2-CE3 3.97Å; F76-W79 AromaticContact CE2-CZ3 3.62Å; F76-W79 HydrophobicContact CE2-CZ3 3.62Å; F76-W79 HydrophobicContact CZ-CE3 4.21Å; F76-W79 AromaticContact CZ-CZ3 3.74Å; F76-W79 HydrophobicContact CZ-CZ3 3.74Å; F76-W79 PolarHBondContact O-N 3.37Å; W79-K81 PolarHBondContact O-N 3.49Å; W79-E82 PolarHBondContact O-N 3.38Å; W79-M86 HydrophobicContact CH2-CE 3.05Å; W79-M86 HydrophobicContact CH2-SD 4.41Å; W79-M86 HydrophobicContact CZ2-CE 3.68Å; W79-M86 HydrophobicContact CZ3-CE 3.55Å
80M87.4Confident83.4Confident43 Ų4361.5 Ų61.521%0.21232%0.318CS..Hα-helixtrans-68.4-30.5179.7-164.9-179.273.500113F76 Q77 T78 E82 R83 I121F76-M80 HydrophobicContact CE1-CB 4.46Å; F76-M80 HydrophobicContact CE1-SD 4.07Å; F76-M80 VanDerWaalsContact O-CB 3.29Å; F76-M80 WeakPolarHBondContact O-CB 3.31Å; F76-M80 PolarHBondContact O-N 3.04Å; Q77-M80 PolarHBondContact O-N 3.05Å; T78-M80 VanDerWaalsContact C-N 3.32Å; T78-M80 PolarHBondContact O-N 3.37Å; M80-E82 PolarHBondContact O-N 3.01Å; M80-R83 CarbonylContact O-C 3.22Å; M80-R83 VanDerWaalsContact O-C 3.28Å; M80-R83 PolarHBondContact O-N 3.18Å; M80-I121 HydrophobicContact CE-CG1 3.75Å; M80-I121 HydrophobicContact SD-CG1 4.25Å; M80-I121 HydrophobicContact SD-CG2 4.22Å
81K85.5Confident83.4Confident150 Ų15062.9 Ų62.965%0.65233%0.327SS*.Hα-helixtrans-61.4-29.7176.8-77174-176.8172.40113Q77 T78 W79 R83Q77-K81 WeakPolarHBondContact O-CG 3.35Å; Q77-K81 PolarHBondContact O-N 3.22Å; T78-K81 PolarHBondContact O-N 3.42Å; W79-K81 PolarHBondContact O-N 3.49Å; K81-R83 VanDerWaalsContact C-N 3.26Å
82E82.1Confident83.5Confident154 Ų15463.9 Ų63.972%0.7234%0.342SS*.THydrogen-bonded Turntrans-81.6-7177.2-59.8-171.7164.100112.5W79 M80W79-E82 PolarHBondContact O-N 3.38Å; M80-E82 PolarHBondContact O-N 3.01Å
83R78.3Confident83.3Confident118 Ų11871.7 Ų71.745%0.44538%0.379SS..  trans-13969.3-176.2-60.1-165.7-176.9-152.53.4113M80 K81 Q85 M86M80-R83 CarbonylContact O-C 3.22Å; M80-R83 VanDerWaalsContact O-C 3.28Å; M80-R83 PolarHBondContact O-N 3.18Å; K81-R83 VanDerWaalsContact C-N 3.26Å; R83-Q85 PolarHBondContact O-N 2.91Å; R83-M86 HydrophobicContact CB-CE 4.41Å; R83-M86 PolarHBondContact O-N 3.38Å
84P66.3Low83.2Confident106 Ų10677.4 Ų77.469%0.68841%0.41SS*.THydrogen-bonded Turntrans-65.3-10.4-176.825-33.4000115.1M86P84-M86 PolarHBondContact O-N 3.01Å
85Q63.2Low83.3Confident171 Ų17177.5 Ų77.580%0.79941%0.408SS*.THydrogen-bonded Turntrans-63.5-23.7176.5-36.1-85.43.400112.3R83 S87R83-Q85 PolarHBondContact O-N 2.91Å; Q85-S87 PolarHBondContact O-N 3.37Å
86M69.3Low83.3Confident56 Ų5676.3 Ų76.328%0.27641%0.405SS..  trans-96.383.8-178.1-67.2-159.3-66.200110.4P46 W79 R83 P84P46-M86 HydrophobicContact CB-CE 4.46Å; P46-M86 HydrophobicContact CB-SD 4.48Å; P46-M86 HydrophobicContact CG-CE 4.13Å; P46-M86 HydrophobicContact CG-SD 3.81Å; W79-M86 HydrophobicContact CH2-CE 3.05Å; W79-M86 HydrophobicContact CH2-SD 4.41Å; W79-M86 HydrophobicContact CZ2-CE 3.68Å; W79-M86 HydrophobicContact CZ3-CE 3.55Å; R83-M86 HydrophobicContact CB-CE 4.41Å; R83-M86 PolarHBondContact O-N 3.38Å; P84-M86 PolarHBondContact O-N 3.01Å
87S78.4Confident83.3Confident32 Ų3278.1 Ų78.122%0.22442%0.416CS..  trans-115148.7179.31660000109.3Q85 S89 S90Q85-S87 PolarHBondContact O-N 3.37Å; S87-S89 WeakPolarHBondContact CB-OG 3.21Å; S87-S89 PolarHBondContact O-N 3.15Å; S87-S89 WeakPolarHBondContact OG-CB 3.19Å; S87-S89 PolarHBondContact OG-N 3.04Å; S87-S89 VanDerWaalsContact OG-N 3.1Å; S87-S89 PolarHBondContact OG-OG 3.22Å; S87-S90 PolarHBondContact O-N 3.47Å; S87-S90 PolarHBondContact O-OG 3.36Å
88L83.2Confident83.5Confident9 Ų981.9 Ų81.95%0.04743%0.434CS..G310 helixtrans-53.2-28.3170.7-154.691.1000112.1L47 S90 L91 A96 L99 Q100 Y122L47-L88 HydrophobicContact CD1-CD1 4.39Å; L88-S90 PolarHBondContact O-N 2.92Å; L88-L91 PolarHBondContact O-N 3.21Å; L88-A96 HydrophobicContact CD2-CB 4.01Å; L88-A96 HydrophobicContact CG-CB 4.07Å; L88-L99 HydrophobicContact CD1-CB 4.48Å; L88-L99 HydrophobicContact CD1-CD1 4.49Å; L88-Q100 HydrophobicContact CD2-CG 3.83Å; L88-Y122 HydrophobicContact CD1-CD1 3.87Å; L88-Y122 WeakPolarHBondContact CD2-O 3.28Å
89S79.9Confident83.7Confident96 Ų9678.9 Ų78.967%0.67142%0.415SS*.G310 helixtrans-68.5-10.6178.967.10000115.1S87S87-S89 WeakPolarHBondContact CB-OG 3.21Å; S87-S89 PolarHBondContact O-N 3.15Å; S87-S89 WeakPolarHBondContact OG-CB 3.19Å; S87-S89 PolarHBondContact OG-N 3.04Å; S87-S89 VanDerWaalsContact OG-N 3.1Å; S87-S89 PolarHBondContact OG-OG 3.22Å
90S82Confident83.9Confident86 Ų8678.8 Ų78.860%0.60142%0.415SS*.G310 helixtrans-91.7-3.8175.967.50000113.3S87 L88S87-S90 PolarHBondContact O-N 3.47Å; S87-S90 PolarHBondContact O-OG 3.36Å; L88-S90 PolarHBondContact O-N 2.92Å
91L86Confident84.2Confident56 Ų5683.1 Ų83.129%0.29343%0.429SS..SBendtrans-93.4158.9179-63.4172.7000111L47 L88 K95 L99L47-L91 HydrophobicContact CD1-CD1 4.06Å; L88-L91 PolarHBondContact O-N 3.21Å; L91-K95 HydrophobicContact CD2-CD 4.49Å; L91-L99 HydrophobicContact CD1-CD1 3.62Å
92A88.8Confident84.6Confident63 Ų6378.4 Ų78.452%0.52141%0.407SS..  trans-62.6147.4167.600000110.5D94 K95 A96A92-D94 VanDerWaalsContact C-N 3.32Å; A92-D94 WeakPolarHBondContact CB-OD1 3.17Å; A92-D94 PolarHBondContact O-N 3.12Å; A92-K95 PolarHBondContact O-N 3.18Å; A92-A96 PolarHBondContact O-N 3.31Å
93E87.1Confident85Confident165 Ų16571.1 Ų71.177%0.77137%0.373SS*.Hα-helixtrans-61.2-39.2-170.9-172.7175.7-17500112.8A96 V97E93-A96 PolarHBondContact O-N 2.91Å; E93-V97 WeakPolarHBondContact O-CG2 3.49Å; E93-V97 PolarHBondContact O-N 3.27Å
94D88.6Confident85.6Confident121 Ų12165.7 Ų65.765%0.64735%0.353SS*.Hα-helixtrans-59.5-48.8174.758.2-26.7000112A92 V97 E98A92-D94 VanDerWaalsContact C-N 3.32Å; A92-D94 WeakPolarHBondContact CB-OD1 3.17Å; A92-D94 PolarHBondContact O-N 3.12Å; D94-V97 PolarHBondContact O-N 2.77Å; D94-E98 PolarHBondContact O-N 3.11Å
95K90.6Very high86.7Confident50 Ų5062.3 Ų62.322%0.21734%0.337CS..Hα-helixtrans-66.6-38.6177.2-173.2162.5-1771510111.9E45 E48 L91 A92 E98 L99E45-K95 IonicContact OE1-NZ 3.82Å; E45-K95 PolarHBondContact OE1-NZ 3.38Å; E45-K95 IonicContact OE2-NZ 3.83Å; E45-K95 PolarHBondContact OE2-NZ 3.08Å; E48-K95 WeakPolarHBondContact OE2-CE 3.32Å; E48-K95 IonicContact OE2-NZ 2.67Å; E48-K95 PolarHBondContact OE2-NZ 2.96Å; L91-K95 HydrophobicContact CD2-CD 4.49Å; A92-K95 PolarHBondContact O-N 3.18Å; K95-E98 PolarHBondContact O-N 2.88Å; K95-L99 WeakPolarHBondContact O-CG 3.28Å; K95-L99 PolarHBondContact O-N 2.67Å
96A90.9Very high87.8Confident12 Ų1255.1 Ų55.110%0.09930%0.304CS..Hα-helixtrans-61.8-46.2176.200000111.6L88 A92 E93 E98 L99 Q100L88-A96 HydrophobicContact CD2-CB 4.01Å; L88-A96 HydrophobicContact CG-CB 4.07Å; A92-A96 PolarHBondContact O-N 3.31Å; E93-A96 PolarHBondContact O-N 2.91Å; A96-E98 VanDerWaalsContact C-N 3.34Å; A96-E98 PolarHBondContact O-N 3.02Å; A96-L99 PolarHBondContact O-N 3.34Å; A96-Q100 WeakPolarHBondContact O-CB 3.42Å; A96-Q100 VanDerWaalsContact O-CG 3.24Å; A96-Q100 WeakPolarHBondContact O-CG 3.27Å; A96-Q100 PolarHBondContact O-N 3.03Å
97V92.6Very high88.7Confident41 Ų4152.7 Ų52.725%0.24829%0.292CS..Hα-helixtrans-64.1-38.5177.8169.60000111.6E93 D94 Q100 R101 L127E93-V97 WeakPolarHBondContact O-CG2 3.49Å; E93-V97 PolarHBondContact O-N 3.27Å; D94-V97 PolarHBondContact O-N 2.77Å; V97-Q100 PolarHBondContact O-N 2.79Å; V97-R101 WeakPolarHBondContact O-CG 3.44Å; V97-R101 PolarHBondContact O-N 3.14Å; V97-L127 HydrophobicContact CG1-CD1 4.13Å; V97-L127 HydrophobicContact CG2-CD1 4.47Å
98E93.8Very high88.7Confident115 Ų11554 Ų5454%0.53730%0.299SS..Hα-helixtrans-61.2-49.5175.6-178.2170.5-171.500111.9D94 K95 A96 Q100 R101 R102D94-E98 PolarHBondContact O-N 3.11Å; K95-E98 PolarHBondContact O-N 2.88Å; A96-E98 VanDerWaalsContact C-N 3.34Å; A96-E98 PolarHBondContact O-N 3.02Å; E98-Q100 VanDerWaalsContact C-N 3.32Å; E98-Q100 PolarHBondContact O-N 2.86Å; E98-R101 PolarHBondContact O-N 3.43Å; E98-R102 PolarHBondContact O-N 2.98Å
99L94.1Very high88.2Confident3 Ų355.2 Ų55.22%0.01631%0.306CS..Hα-helixtrans-62.1-39.5176.4-64.9-179000111.8L47 E48 L51 L88 L91 K95 A96 R101 R102 A103 Y122L47-L99 HydrophobicContact CB-CD1 4.15Å; E48-L99 HydrophobicContact CB-CD2 3.79Å; E48-L99 HydrophobicContact CG-CD2 3.81Å; L51-L99 HydrophobicContact CD1-CB 4.16Å; L51-L99 HydrophobicContact CD1-CD2 3.96Å; L51-L99 VanDerWaalsContact CD1-O 3.28Å; L51-L99 WeakPolarHBondContact CD1-O 3.29Å; L88-L99 HydrophobicContact CD1-CB 4.48Å; L88-L99 HydrophobicContact CD1-CD1 4.49Å; L91-L99 HydrophobicContact CD1-CD1 3.62Å; K95-L99 WeakPolarHBondContact O-CG 3.28Å; K95-L99 PolarHBondContact O-N 2.67Å; A96-L99 PolarHBondContact O-N 3.34Å; L99-R101 PolarHBondContact O-N 3.42Å; L99-R102 PolarHBondContact O-N 3.39Å; L99-A103 VanDerWaalsContact O-CB 3.28Å; L99-A103 WeakPolarHBondContact O-CB 3.42Å; L99-A103 PolarHBondContact O-N 2.97Å; L99-Y122 HydrophobicContact CB-CD1 4.17Å; L99-Y122 HydrophobicContact CB-CE1 4.27Å
100Q95Very high87.6Confident7 Ų751.7 Ų51.73%0.03328%0.28CS..Hα-helixtrans-61.2-42.4174.9-76.5178.3-37.200112.6L88 A96 V97 E98 A103 L104 Y122 Q123 I124 T126 L127L88-Q100 HydrophobicContact CD2-CG 3.83Å; A96-Q100 WeakPolarHBondContact O-CB 3.42Å; A96-Q100 VanDerWaalsContact O-CG 3.24Å; A96-Q100 WeakPolarHBondContact O-CG 3.27Å; A96-Q100 PolarHBondContact O-N 3.03Å; V97-Q100 PolarHBondContact O-N 2.79Å; E98-Q100 VanDerWaalsContact C-N 3.32Å; E98-Q100 PolarHBondContact O-N 2.86Å; Q100-A103 PolarHBondContact O-N 3.49Å; Q100-L104 VanDerWaalsContact O-CB 3.27Å; Q100-L104 WeakPolarHBondContact O-CB 3.44Å; Q100-L104 PolarHBondContact O-N 3.41Å; Q100-Y122 VanDerWaalsContact CG-O 3.24Å; Q100-Y122 WeakPolarHBondContact CG-O 3.31Å; Q100-Y122 PolarHBondContact NE2-O 3.2Å; Q100-Q123 PolarHBondContact NE2-O 3.41Å; Q100-I124 HydrophobicContact CB-CD1 4.21Å; Q100-I124 HydrophobicContact CG-CD1 4.35Å; Q100-I124 WeakPolarHBondContact O-CD1 3.46Å; Q100-T126 PolarHBondContact NE2-OG1 3.17Å; Q100-L127 HydrophobicContact CB-CD1 4Å; Q100-L127 HydrophobicContact CB-CD2 4.3Å
101R92.5Very high87.6Confident134 Ų13449.2 Ų49.251%0.50626%0.259SS..Hα-helixtrans-65-42.5176.5-74.3177.8-169.5-95.47.7112.1V97 E98 L99 L104 G105 I131V97-R101 WeakPolarHBondContact O-CG 3.44Å; V97-R101 PolarHBondContact O-N 3.14Å; E98-R101 PolarHBondContact O-N 3.43Å; L99-R101 PolarHBondContact O-N 3.42Å; R101-L104 PolarHBondContact O-N 3.36Å; R101-G105 PolarHBondContact O-N 3.47Å; R101-I131 HydrophobicContact CG-CG2 4.1Å; R101-I131 VanDerWaalsContact CZ-CD1 3.49Å
102R93.1Very high87.4Confident52 Ų5250 Ų5020%0.19627%0.267CS..Hα-helixtrans-61.8-48.3175-75.917965.3-171.40.8111.3E48 L51 T52 E55 E98 L99 L104 G105 L106E48-R102 IonicContact OE1-NH1 3.56Å; L51-R102 HydrophobicContact CD1-CB 3.64Å; T52-R102 PolarHBondContact OG1-NH2 3.19Å; E55-R102 IonicContact OE1-CZ 3.81Å; E55-R102 IonicContact OE1-NE 3.85Å; E55-R102 PolarHBondContact OE1-NE 3.5Å; E55-R102 IonicContact OE1-NH2 3.82Å; E55-R102 PolarHBondContact OE1-NH2 3.29Å; E55-R102 IonicContact OE2-CZ 3.11Å; E55-R102 IonicContact OE2-NE 2.67Å; E55-R102 IonicContact OE2-NH2 2.7Å; E55-R102 PolarHBondContact OE2-NH2 2.72Å; E98-R102 PolarHBondContact O-N 2.98Å; L99-R102 PolarHBondContact O-N 3.39Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 2.82Å; R102-G105 WeakPolarHBondContact O-CA 3.2Å; R102-G105 PolarHBondContact O-N 2.84Å; R102-L106 PolarHBondContact O-N 3.45Å
103A92.3Very high87.2Confident0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-59.3-41.9175.900000112.4L51 L99 Q100 G105 L106 Y122 I124L51-A103 HydrophobicContact CD1-CB 4.3Å; L51-A103 HydrophobicContact CD2-CB 3.88Å; L99-A103 VanDerWaalsContact O-CB 3.28Å; L99-A103 WeakPolarHBondContact O-CB 3.42Å; L99-A103 PolarHBondContact O-N 2.97Å; Q100-A103 PolarHBondContact O-N 3.49Å; A103-G105 VanDerWaalsContact C-N 3.28Å; A103-G105 PolarHBondContact O-N 3.41Å; A103-L106 WeakPolarHBondContact O-CB 3.27Å; A103-L106 PolarHBondContact O-N 3.09Å; A103-L106 VanDerWaalsContact O-N 3.09Å; A103-Y122 HydrophobicContact CB-CD1 4.13Å; A103-Y122 HydrophobicContact CB-CD2 3.55Å; A103-Y122 HydrophobicContact CB-CE2 4.17Å; A103-Y122 HydrophobicContact CB-CG 3.55Å; A103-I124 HydrophobicContact CB-CD1 3.93Å
104L90.9Very high87.2Confident5 Ų543.3 Ų43.33%0.02623%0.228CC..Hα-helixtrans-60.5-38.9174.6-172.862.8000111.4Q100 R101 R102 L106 L107 I124 L127 I131 H135 L151Q100-L104 VanDerWaalsContact O-CB 3.27Å; Q100-L104 WeakPolarHBondContact O-CB 3.44Å; Q100-L104 PolarHBondContact O-N 3.41Å; R101-L104 PolarHBondContact O-N 3.36Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 2.82Å; L104-L106 PolarHBondContact O-N 3.04Å; L104-L107 HydrophobicContact CD1-CD1 4.15Å; L104-L107 WeakPolarHBondContact O-CB 3.37Å; L104-L107 PolarHBondContact O-N 2.93Å; L104-I124 HydrophobicContact CD1-CG2 4.11Å; L104-L127 HydrophobicContact CD2-CD2 4.06Å; L104-I131 HydrophobicContact CD2-CG2 4.39Å; L104-H135 HydrophobicContact CD1-CB 4.17Å; L104-H135 HydrophobicContact CD2-CB 3.46Å; L104-H135 VanDerWaalsContact CD2-CB 3.46Å; L104-H135 HydrophobicContact CG-CB 3.68Å; L104-H135 PolarHBondContact O-CE1 3.35Å; L104-H135 PolarHBondContact O-NE2 3.22Å; L104-L151 HydrophobicContact CD1-CD2 4.3Å
105G88.6Confident87.2Confident34 Ų3437.9 Ų37.935%0.35120%0.199SC..Hα-helixtrans-58.8-25.4173.900000114.8R101 R102 A103 T108R101-G105 PolarHBondContact O-N 3.47Å; R102-G105 WeakPolarHBondContact O-CA 3.2Å; R102-G105 PolarHBondContact O-N 2.84Å; A103-G105 VanDerWaalsContact C-N 3.28Å; A103-G105 PolarHBondContact O-N 3.41Å; G105-T108 WeakPolarHBondContact O-CG2 3.12Å
106L87Confident87.2Confident21 Ų2138 Ų3811%0.1120%0.202CC..Hα-helixtrans-82.8-16.7175-63.6173.5000113.1L51 L54 E55 R102 A103 L104 T108 L118L51-L106 HydrophobicContact CD2-CD1 3.73Å; L54-L106 HydrophobicContact CB-CD1 3.81Å; L54-L106 HydrophobicContact CD1-CD1 4.11Å; E55-L106 HydrophobicContact CG-CD2 3.96Å; R102-L106 PolarHBondContact O-N 3.45Å; A103-L106 WeakPolarHBondContact O-CB 3.27Å; A103-L106 PolarHBondContact O-N 3.09Å; A103-L106 VanDerWaalsContact O-N 3.09Å; L104-L106 PolarHBondContact O-N 3.04Å; L106-T108 PolarHBondContact O-N 3.39Å; L106-L118 HydrophobicContact CB-CD1 4.07Å
107L86.9Confident87.1Confident4 Ų437.8 Ų37.82%0.02120%0.2CC..  trans-79.667.7178.3-58.8-176.1000111.2L104 V115 L118 M119 H135 L151L104-L107 HydrophobicContact CD1-CD1 4.15Å; L104-L107 WeakPolarHBondContact O-CB 3.37Å; L104-L107 PolarHBondContact O-N 2.93Å; L107-V115 HydrophobicContact CD2-CB 4.26Å; L107-V115 HydrophobicContact CD2-CG1 4.17Å; L107-V115 HydrophobicContact CD2-CG2 4.16Å; L107-L118 HydrophobicContact CD2-CB 4Å; L107-L118 HydrophobicContact CD2-CD1 3.86Å; L107-M119 HydrophobicContact CD1-CG 3.86Å; L107-H135 PolarHBondContact O-NE2 2.77Å; L107-H135 VanDerWaalsContact O-NE2 3.13Å; L107-L151 HydrophobicContact CB-CD2 4.13Å; L107-L151 HydrophobicContact CD1-CD1 3.92Å; L107-L151 HydrophobicContact CD1-CD2 4.45Å
108T78.6Confident87Confident60 Ų6035.9 Ų35.937%0.36819%0.188SC..  trans-112.17.8-17957.60000113.6G105 L106 L139 E147G105-T108 WeakPolarHBondContact O-CG2 3.12Å; L106-T108 PolarHBondContact O-N 3.39Å; T108-L139 HydrophobicContact CG2-CD2 4.19Å; T108-E147 WeakPolarHBondContact O-CG 3.43Å
109D73.1Confident86.9Confident35 Ų3530.8 Ų30.819%0.18716%0.164CC..SBendtrans-138.4171.6176.7-169.917.2000111.3K62 G63 V115K62-D109 WeakPolarHBondContact CA-OD2 3.47Å; G63-D109 PolarHBondContact N-OD2 3.29Å; D109-V115 WeakPolarHBondContact O-CG2 3.31Å
110T67.8Low86.8Confident21 Ų2136 Ų3613%0.12919%0.192CC..  trans-100.95.5-173.6530000115.1P112 K146 E147T110-P112 VanDerWaalsContact O-CD 3.24Å; T110-P112 WeakPolarHBondContact O-CD 3.48Å; T110-K146 HydrophobicContact CG2-CB 4.45Å; T110-K146 HydrophobicContact CG2-CD 3.72Å; T110-K146 HydrophobicContact CG2-CG 3.92Å; T110-K146 PolarHBondContact OG1-NZ 2.99Å; T110-E147 HydrophobicContact CG2-CB 4.28Å; T110-E147 HydrophobicContact CG2-CG 3.87Å
111Q82.3Confident86.6Confident34 Ų3436.1 Ų36.116%0.15919%0.193CC..  trans-68.8118.4-178.3-162.7-107.526.200110.5G63 N113 F114 V115G63-Q111 WeakPolarHBondContact O-CB 3.27Å; G63-Q111 WeakPolarHBondContact O-CG 3.49Å; G63-Q111 PolarHBondContact O-NE2 3.15Å; G63-Q111 VanDerWaalsContact O-NE2 3.1Å; G63-Q111 PolarHBondContact O-OE1 2.87Å; Q111-N113 PolarHBondContact O-N 3.39Å; Q111-F114 PolarHBondContact O-N 3.02Å; Q111-V115 VanDerWaalsContact O-CG2 3.31Å; Q111-V115 WeakPolarHBondContact O-CG2 3.33Å; Q111-V115 PolarHBondContact O-N 3.1Å; Q111-V115 VanDerWaalsContact O-N 3.17Å
112P81.8Confident86.6Confident72 Ų7229.8 Ų29.847%0.46817%0.169SC..Hα-helixtrans-61.7-47.2-166.3-26.335.1000113.5T110 F114 V115 D116T110-P112 VanDerWaalsContact O-CD 3.24Å; T110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-F114 PolarHBondContact O-N 2.96Å; P112-V115 PolarHBondContact O-N 2.79Å; P112-D116 WeakPolarHBondContact O-CB 3.4Å; P112-D116 PolarHBondContact O-N 2.51Å
113N84Confident86.6Confident84 Ų8430.7 Ų30.745%0.44918%0.176SC..Hα-helixtrans-63.3-39.9-174.5-70.8-3.6000112.7Y70 Q111 T117Y70-N113 HydrophobicContact CE2-CB 3.82Å; Y70-N113 PolarHBondContact OH-ND2 3.33Å; Q111-N113 PolarHBondContact O-N 3.39Å; N113-T117 WeakPolarHBondContact O-CB 3.47Å; N113-T117 PolarHBondContact O-N 3.47Å; N113-T117 PolarHBondContact O-OG1 3.15Å
114F86.7Confident86.6Confident5 Ų530.7 Ų30.72%0.02218%0.176CC..Hα-helixtrans-67-50.6178.3-174.4-94.1000110.4Y70 L73 Q111 P112 T117 L118Y70-F114 HydrophobicContact CD2-CB 4.18Å; Y70-F114 HydrophobicContact CD2-CD2 4.31Å; L73-F114 HydrophobicContact CB-CD2 4.44Å; L73-F114 HydrophobicContact CB-CE2 4.32Å; L73-F114 HydrophobicContact CD2-CB 4.4Å; L73-F114 HydrophobicContact CD2-CD2 3.33Å; L73-F114 HydrophobicContact CD2-CE2 3.61Å; L73-F114 HydrophobicContact CD2-CG 3.88Å; L73-F114 HydrophobicContact CD2-CZ 4.36Å; Q111-F114 PolarHBondContact O-N 3.02Å; P112-F114 PolarHBondContact O-N 2.96Å; F114-T117 PolarHBondContact O-N 3.49Å; F114-L118 HydrophobicContact CD1-CD1 3.9Å; F114-L118 HydrophobicContact CE1-CD1 3.32Å; F114-L118 HydrophobicContact CE1-CG 4.44Å; F114-L118 HydrophobicContact CE2-CD1 4.44Å; F114-L118 HydrophobicContact CZ-CD1 3.63Å; F114-L118 PolarHBondContact O-N 3.36Å
115V87.9Confident86.7Confident7 Ų737.1 Ų37.14%0.04220%0.203CC..Hα-helixtrans-60.7-50.3178.5173.40000110.6L107 D109 Q111 P112 T117 L118 M119 L151 K154L107-V115 HydrophobicContact CD2-CB 4.26Å; L107-V115 HydrophobicContact CD2-CG1 4.17Å; L107-V115 HydrophobicContact CD2-CG2 4.16Å; D109-V115 WeakPolarHBondContact O-CG2 3.31Å; Q111-V115 VanDerWaalsContact O-CG2 3.31Å; Q111-V115 WeakPolarHBondContact O-CG2 3.33Å; Q111-V115 PolarHBondContact O-N 3.1Å; Q111-V115 VanDerWaalsContact O-N 3.17Å; P112-V115 PolarHBondContact O-N 2.79Å; V115-T117 VanDerWaalsContact C-N 3.33Å; V115-T117 PolarHBondContact O-N 2.93Å; V115-L118 PolarHBondContact O-N 2.95Å; V115-M119 HydrophobicContact CG1-CG 4.25Å; V115-M119 HydrophobicContact CG1-SD 3.69Å; V115-M119 VanDerWaalsContact O-CB 3.28Å; V115-M119 WeakPolarHBondContact O-CB 3.08Å; V115-M119 WeakPolarHBondContact O-CG 2.94Å; V115-M119 PolarHBondContact O-N 3.14Å; V115-L151 HydrophobicContact CG1-CD1 4.33Å; V115-K154 HydrophobicContact CG1-CD 3.83Å
116D90.4Very high86.8Confident53 Ų5340.1 Ų40.128%0.28322%0.215SC..Hα-helixtrans-64.1-38.7-178.6-70.5-36.5000111.5P112 N120 K154P112-D116 WeakPolarHBondContact O-CB 3.4Å; P112-D116 PolarHBondContact O-N 2.51Å; D116-N120 VanDerWaalsContact O-CB 3.3Å; D116-N120 WeakPolarHBondContact O-CB 3.06Å; D116-N120 PolarHBondContact O-N 2.99Å; D116-N120 PolarHBondContact O-ND2 2.96Å; D116-K154 IonicContact OD1-NZ 2.74Å; D116-K154 PolarHBondContact OD1-NZ 3.41Å; D116-K154 IonicContact OD2-NZ 3.61Å; D116-K154 PolarHBondContact OD2-NZ 3.09Å
117T90.2Very high87Confident7 Ų739.4 Ų39.44%0.04321%0.211CC..Hα-helixtrans-67.8-47.1178.4-60.90000111.7L73 Q77 N113 F114 V115 N120 I121L73-T117 HydrophobicContact CD1-CG2 3.9Å; L73-T117 HydrophobicContact CD2-CG2 4.02Å; L73-T117 HydrophobicContact CG-CG2 3.7Å; Q77-T117 HydrophobicContact CB-CG2 3.85Å; Q77-T117 HydrophobicContact CG-CG2 4Å; Q77-T117 PolarHBondContact NE2-OG1 3.47Å; N113-T117 WeakPolarHBondContact O-CB 3.47Å; N113-T117 PolarHBondContact O-N 3.47Å; N113-T117 PolarHBondContact O-OG1 3.15Å; F114-T117 PolarHBondContact O-N 3.49Å; V115-T117 VanDerWaalsContact C-N 3.33Å; V115-T117 PolarHBondContact O-N 2.93Å; T117-N120 PolarHBondContact O-N 3.39Å; T117-I121 HydrophobicContact CG2-CD1 3.7Å; T117-I121 HydrophobicContact CG2-CG1 4.37Å; T117-I121 VanDerWaalsContact O-CG1 3.3Å; T117-I121 WeakPolarHBondContact O-CG1 3.42Å; T117-I121 PolarHBondContact O-N 3.37Å
118L90.7Very high87.2Confident0 Ų043.1 Ų43.10%023%0.231CC..Hα-helixtrans-62-44.5174.6-84174.8000111.9L54 L73 L106 L107 F114 V115 N120 I121 Y122L54-L118 HydrophobicContact CD1-CD2 4.06Å; L73-L118 HydrophobicContact CD1-CD2 3.85Å; L73-L118 HydrophobicContact CD1-CG 4.06Å; L73-L118 HydrophobicContact CD2-CD1 4.48Å; L73-L118 HydrophobicContact CD2-CD2 4.5Å; L73-L118 HydrophobicContact CD2-CG 3.84Å; L106-L118 HydrophobicContact CB-CD1 4.07Å; L107-L118 HydrophobicContact CD2-CB 4Å; L107-L118 HydrophobicContact CD2-CD1 3.86Å; F114-L118 HydrophobicContact CD1-CD1 3.9Å; F114-L118 HydrophobicContact CE1-CD1 3.32Å; F114-L118 HydrophobicContact CE1-CG 4.44Å; F114-L118 HydrophobicContact CE2-CD1 4.44Å; F114-L118 HydrophobicContact CZ-CD1 3.63Å; F114-L118 PolarHBondContact O-N 3.36Å; V115-L118 PolarHBondContact O-N 2.95Å; L118-N120 PolarHBondContact O-N 2.79Å; L118-I121 PolarHBondContact O-N 3.29Å; L118-Y122 HydrophobicContact CD2-CD2 3.91Å; L118-Y122 HydrophobicContact CD2-CE2 3.65Å; L118-Y122 WeakPolarHBondContact O-CD2 3.33Å; L118-Y122 PolarHBondContact O-N 3.07Å
119M91.4Very high87.9Confident8 Ų843.7 Ų43.74%0.03924%0.236CC..Hα-helixtrans-59-37.1177.6-76.5-177.764.500112.3L107 V115 Q123 I124 K125 L151 K154 L155L107-M119 HydrophobicContact CD1-CG 3.86Å; V115-M119 HydrophobicContact CG1-CG 4.25Å; V115-M119 HydrophobicContact CG1-SD 3.69Å; V115-M119 VanDerWaalsContact O-CB 3.28Å; V115-M119 WeakPolarHBondContact O-CB 3.08Å; V115-M119 WeakPolarHBondContact O-CG 2.94Å; V115-M119 PolarHBondContact O-N 3.14Å; M119-Q123 CarbonylContact O-C 3.28Å; M119-Q123 VanDerWaalsContact O-CA 3.22Å; M119-Q123 WeakPolarHBondContact O-CA 2.83Å; M119-Q123 PolarHBondContact O-N 3.38Å; M119-I124 HydrophobicContact CB-CB 4.47Å; M119-I124 HydrophobicContact CB-CG1 4.49Å; M119-I124 HydrophobicContact CG-CB 4.24Å; M119-I124 HydrophobicContact CG-CG1 4.31Å; M119-I124 PolarHBondContact O-N 3.2Å; M119-K125 HydrophobicContact CE-CG 4.11Å; M119-L151 HydrophobicContact SD-CD1 3.98Å; M119-K154 HydrophobicContact CE-CB 4.16Å; M119-K154 HydrophobicContact SD-CB 4.19Å; M119-K154 HydrophobicContact SD-CD 4.25Å; M119-L155 HydrophobicContact CE-CD2 3.42Å; M119-L155 VanDerWaalsContact CE-CD2 3.42Å; M119-L155 HydrophobicContact CE-CG 4.13Å
120N91.1Very high88.8Confident114 Ų11445.5 Ų45.561%0.6125%0.251SS*.Hα-helixtrans-75.4-46.2178.6-70.1-25.2000112.4D116 T117 L118 Y122 Q123D116-N120 VanDerWaalsContact O-CB 3.3Å; D116-N120 WeakPolarHBondContact O-CB 3.06Å; D116-N120 PolarHBondContact O-N 2.99Å; D116-N120 PolarHBondContact O-ND2 2.96Å; T117-N120 PolarHBondContact O-N 3.39Å; L118-N120 PolarHBondContact O-N 2.79Å; N120-Y122 PolarHBondContact O-N 3.17Å; N120-Q123 PolarHBondContact O-N 3.47Å
121I91.7Very high90Very high9 Ų945.6 Ų45.65%0.04625%0.251CS..Hα-helixtrans-59.9-47.6179.8-68.7167.6000110.3L47 L50 L73 F76 M80 T117 L118L47-I121 HydrophobicContact CD2-CG2 3.74Å; L50-I121 HydrophobicContact CD2-CD1 4.32Å; L73-I121 HydrophobicContact CD1-CD1 3.73Å; F76-I121 HydrophobicContact CD1-CD1 4.14Å; F76-I121 HydrophobicContact CE1-CG2 4.47Å; M80-I121 HydrophobicContact CE-CG1 3.75Å; M80-I121 HydrophobicContact SD-CG1 4.25Å; M80-I121 HydrophobicContact SD-CG2 4.22Å; T117-I121 HydrophobicContact CG2-CD1 3.7Å; T117-I121 HydrophobicContact CG2-CG1 4.37Å; T117-I121 VanDerWaalsContact O-CG1 3.3Å; T117-I121 WeakPolarHBondContact O-CG1 3.42Å; T117-I121 PolarHBondContact O-N 3.37Å; L118-I121 PolarHBondContact O-N 3.29Å
122Y92.8Very high90.5Very high0 Ų044.2 Ų44.20%024%0.244CC..THydrogen-bonded Turntrans-94.98.1-176.8-62.9-80.9000113.6L47 L50 L51 L88 L99 Q100 A103 L118 N120 I124L47-Y122 HydrophobicContact CB-CE1 4.29Å; L47-Y122 HydrophobicContact CD2-CE1 4.43Å; L47-Y122 PolarHBondContact O-OH 3.32Å; L50-Y122 HydrophobicContact CD2-CE2 4.3Å; L50-Y122 WeakPolarHBondContact CD2-OH 3.37Å; L51-Y122 HydrophobicContact CD1-CD1 4.36Å; L51-Y122 HydrophobicContact CD1-CE1 3.73Å; L51-Y122 HydrophobicContact CD2-CD2 4.37Å; L51-Y122 HydrophobicContact CD2-CE1 4.13Å; L51-Y122 HydrophobicContact CD2-CE2 3.6Å; L51-Y122 VanDerWaalsContact CD2-CZ 3.48Å; L51-Y122 WeakPolarHBondContact CD2-OH 3.4Å; L51-Y122 HydrophobicContact CG-CE1 3.91Å; L51-Y122 HydrophobicContact CG-CE2 4.23Å; L51-Y122 WeakPolarHBondContact CG-OH 3.48Å; L88-Y122 HydrophobicContact CD1-CD1 3.87Å; L88-Y122 WeakPolarHBondContact CD2-O 3.28Å; L99-Y122 HydrophobicContact CB-CD1 4.17Å; L99-Y122 HydrophobicContact CB-CE1 4.27Å; Q100-Y122 VanDerWaalsContact CG-O 3.24Å; Q100-Y122 WeakPolarHBondContact CG-O 3.31Å; Q100-Y122 PolarHBondContact NE2-O 3.2Å; A103-Y122 HydrophobicContact CB-CD1 4.13Å; A103-Y122 HydrophobicContact CB-CD2 3.55Å; A103-Y122 HydrophobicContact CB-CE2 4.17Å; A103-Y122 HydrophobicContact CB-CG 3.55Å; L118-Y122 HydrophobicContact CD2-CD2 3.91Å; L118-Y122 HydrophobicContact CD2-CE2 3.65Å; L118-Y122 WeakPolarHBondContact O-CD2 3.33Å; L118-Y122 PolarHBondContact O-N 3.07Å; N120-Y122 PolarHBondContact O-N 3.17Å; Y122-I124 PolarHBondContact O-N 3.1Å; Y122-I124 VanDerWaalsContact O-N 3.08Å
123Q92.5Very high91.1Very high72 Ų7241.5 Ų41.534%0.33623%0.227SC..THydrogen-bonded Turntrans4742.5178.4-55.3-178.72200113.1Q100 M119 N120 K125 T126Q100-Q123 PolarHBondContact NE2-O 3.41Å; M119-Q123 CarbonylContact O-C 3.28Å; M119-Q123 VanDerWaalsContact O-CA 3.22Å; M119-Q123 WeakPolarHBondContact O-CA 2.83Å; M119-Q123 PolarHBondContact O-N 3.38Å; N120-Q123 PolarHBondContact O-N 3.47Å; Q123-K125 PolarHBondContact O-N 3.32Å; Q123-T126 HydrophobicContact CB-CG2 4.23Å; Q123-T126 PolarHBondContact O-N 2.64Å; Q123-T126 PolarHBondContact O-OG1 2.98Å
124I93.1Very high91.5Very high0 Ų043.7 Ų43.70%024%0.236CC..G310 helixtrans-54.3-27.7-167.5-62.6-65.6000113.1Q100 A103 L104 M119 Y122 T126 L127 Q132 L155Q100-I124 HydrophobicContact CB-CD1 4.21Å; Q100-I124 HydrophobicContact CG-CD1 4.35Å; Q100-I124 WeakPolarHBondContact O-CD1 3.46Å; A103-I124 HydrophobicContact CB-CD1 3.93Å; L104-I124 HydrophobicContact CD1-CG2 4.11Å; M119-I124 HydrophobicContact CB-CB 4.47Å; M119-I124 HydrophobicContact CB-CG1 4.49Å; M119-I124 HydrophobicContact CG-CB 4.24Å; M119-I124 HydrophobicContact CG-CG1 4.31Å; M119-I124 PolarHBondContact O-N 3.2Å; Y122-I124 PolarHBondContact O-N 3.1Å; Y122-I124 VanDerWaalsContact O-N 3.08Å; I124-T126 PolarHBondContact O-N 3.36Å; I124-L127 WeakPolarHBondContact O-CB 3.38Å; I124-L127 PolarHBondContact O-N 3.41Å; I124-L127 VanDerWaalsContact O-N 3.15Å; I124-Q132 PolarHBondContact O-NE2 2.88Å; I124-L155 HydrophobicContact CG2-CD2 3.98Å
125K91.6Very high91.8Very high140 Ų14044.1 Ų44.161%0.60924%0.238SC*.G310 helixtrans-62-22.7176.4-66.8-174.2175.9-172.70114.4M119 Q123 L127 K154 L155M119-K125 HydrophobicContact CE-CG 4.11Å; Q123-K125 PolarHBondContact O-N 3.32Å; K125-L127 VanDerWaalsContact C-N 3.35Å; K125-K154 VanDerWaalsContact CE-O 3.27Å; K125-K154 WeakPolarHBondContact CE-O 3.34Å; K125-L155 HydrophobicContact CG-CD2 4.21Å
126T91.1Very high92.1Very high97 Ų9743.8 Ų43.860%0.59524%0.236SC*.G310 helixtrans-83.7-13.417865.80000112.9Q100 Q123 I124Q100-T126 PolarHBondContact NE2-OG1 3.17Å; Q123-T126 HydrophobicContact CB-CG2 4.23Å; Q123-T126 PolarHBondContact O-N 2.64Å; Q123-T126 PolarHBondContact O-OG1 2.98Å; I124-T126 PolarHBondContact O-N 3.36Å
127L91.6Very high92.2Very high5 Ų545.5 Ų45.53%0.02624%0.239CC..SBendtrans-64.6146.7176.1-172.265.9000110.7V97 Q100 L104 I124 K125 I131 Q132V97-L127 HydrophobicContact CG1-CD1 4.13Å; V97-L127 HydrophobicContact CG2-CD1 4.47Å; Q100-L127 HydrophobicContact CB-CD1 4Å; Q100-L127 HydrophobicContact CB-CD2 4.3Å; L104-L127 HydrophobicContact CD2-CD2 4.06Å; I124-L127 WeakPolarHBondContact O-CB 3.38Å; I124-L127 PolarHBondContact O-N 3.41Å; I124-L127 VanDerWaalsContact O-N 3.15Å; K125-L127 VanDerWaalsContact C-N 3.35Å; L127-I131 HydrophobicContact CD1-CD1 3.7Å; L127-I131 HydrophobicContact CD2-CB 4.06Å; L127-I131 HydrophobicContact CD2-CG2 3.67Å; L127-I131 HydrophobicContact CG-CB 4.1Å; L127-I131 HydrophobicContact CG-CD1 4.06Å; L127-I131 HydrophobicContact CG-CG2 4.19Å; L127-Q132 HydrophobicContact CB-CG 4.27Å; L127-Q132 HydrophobicContact CD2-CG 4.27Å; L127-Q132 HydrophobicContact CG-CG 4.47Å; L127-Q132 PolarHBondContact O-NE2 3.02Å; L127-Q132 VanDerWaalsContact O-NE2 3.1Å
128D90.8Very high92.3Very high82 Ų8251.1 Ų51.144%0.43926%0.263SS..  trans-50.6127.6177.3-179.2-80.7000111.8S130 I131 Q132D128-S130 PolarHBondContact O-N 3.32Å; D128-S130 VanDerWaalsContact O-N 3.14Å; D128-S130 WeakPolarHBondContact OD1-CA 3.47Å; D128-S130 WeakPolarHBondContact OD1-CB 3.49Å; D128-S130 PolarHBondContact OD1-N 3.4Å; D128-S130 PolarHBondContact OD1-OG 3.21Å; D128-I131 HydrophobicContact CB-CD1 3.8Å; D128-I131 HydrophobicContact CB-CG1 4.09Å; D128-I131 WeakPolarHBondContact O-CB 3.35Å; D128-I131 PolarHBondContact O-N 2.89Å; D128-Q132 PolarHBondContact O-N 2.95Å
129P92.3Very high92.2Very high72 Ų7251.2 Ų51.247%0.46826%0.263SS..Hα-helixtrans-56.8-29.5-177.2-28.135.4000114.3I131 Q132 C133 L157P129-I131 VanDerWaalsContact C-N 3.34Å; P129-I131 PolarHBondContact O-N 2.93Å; P129-Q132 PolarHBondContact O-N 3.17Å; P129-C133 WeakPolarHBondContact O-CB 3.42Å; P129-C133 PolarHBondContact O-N 3.01Å; P129-C133 PolarHBondContact O-SG 3.46Å; P129-C133 VanDerWaalsContact O-SG 3.35Å; P129-L157 HydrophobicContact CB-CD2 4.19Å
130S92.4Very high92.1Very high74 Ų7452.4 Ų52.452%0.51727%0.269SS..Hα-helixtrans-66-37.9176.6780000111.6D128 C133 M134D128-S130 PolarHBondContact O-N 3.32Å; D128-S130 VanDerWaalsContact O-N 3.14Å; D128-S130 WeakPolarHBondContact OD1-CA 3.47Å; D128-S130 WeakPolarHBondContact OD1-CB 3.49Å; D128-S130 PolarHBondContact OD1-N 3.4Å; D128-S130 PolarHBondContact OD1-OG 3.21Å; S130-C133 PolarHBondContact O-N 2.86Å; S130-M134 WeakPolarHBondContact O-CB 3.24Å; S130-M134 VanDerWaalsContact O-CG 3.23Å; S130-M134 WeakPolarHBondContact O-CG 3.26Å; S130-M134 PolarHBondContact O-N 3.1Å
131I92.8Very high91.9Very high23 Ų2350.8 Ų50.812%0.11827%0.272CS..Hα-helixtrans-67.2-43.2176.2-56.3168.2000110R101 L104 L127 D128 P129 M134 H135R101-I131 HydrophobicContact CG-CG2 4.1Å; R101-I131 VanDerWaalsContact CZ-CD1 3.49Å; L104-I131 HydrophobicContact CD2-CG2 4.39Å; L127-I131 HydrophobicContact CD1-CD1 3.7Å; L127-I131 HydrophobicContact CD2-CB 4.06Å; L127-I131 HydrophobicContact CD2-CG2 3.67Å; L127-I131 HydrophobicContact CG-CB 4.1Å; L127-I131 HydrophobicContact CG-CD1 4.06Å; L127-I131 HydrophobicContact CG-CG2 4.19Å; D128-I131 HydrophobicContact CB-CD1 3.8Å; D128-I131 HydrophobicContact CB-CG1 4.09Å; D128-I131 WeakPolarHBondContact O-CB 3.35Å; D128-I131 PolarHBondContact O-N 2.89Å; P129-I131 VanDerWaalsContact C-N 3.34Å; P129-I131 PolarHBondContact O-N 2.93Å; I131-M134 PolarHBondContact O-N 3.37Å; I131-H135 PolarHBondContact O-N 3.42Å
132Q93.7Very high91.7Very high5 Ų555.4 Ų55.42%0.02330%0.296CS..Hα-helixtrans-61-48.3176.6-62.3171.8-12.400110.8I124 L127 D128 P129 M134 H135 I136 L155 L157I124-Q132 PolarHBondContact O-NE2 2.88Å; L127-Q132 HydrophobicContact CB-CG 4.27Å; L127-Q132 HydrophobicContact CD2-CG 4.27Å; L127-Q132 HydrophobicContact CG-CG 4.47Å; L127-Q132 PolarHBondContact O-NE2 3.02Å; L127-Q132 VanDerWaalsContact O-NE2 3.1Å; D128-Q132 PolarHBondContact O-N 2.95Å; P129-Q132 PolarHBondContact O-N 3.17Å; Q132-M134 VanDerWaalsContact C-N 3.34Å; Q132-M134 PolarHBondContact O-N 2.98Å; Q132-H135 WeakPolarHBondContact O-CB 3.23Å; Q132-H135 PolarHBondContact O-N 3.3Å; Q132-H135 VanDerWaalsContact O-N 3.14Å; Q132-I136 WeakPolarHBondContact O-CG1 3.46Å; Q132-I136 PolarHBondContact O-N 3.43Å; Q132-I136 VanDerWaalsContact O-N 3.1Å; Q132-L155 HydrophobicContact CB-CD1 4.17Å; Q132-L155 HydrophobicContact CG-CD1 4.41Å; Q132-L157 HydrophobicContact CB-CD1 3.61Å
133C93.8Very high91.3Very high14 Ų1458.4 Ų58.410%0.09531%0.312CS..Hα-helixtrans-59.2-41.3175.8-77.20000112.5P129 S130 H135 I136 Y137P129-C133 WeakPolarHBondContact O-CB 3.42Å; P129-C133 PolarHBondContact O-N 3.01Å; P129-C133 PolarHBondContact O-SG 3.46Å; P129-C133 VanDerWaalsContact O-SG 3.35Å; S130-C133 PolarHBondContact O-N 2.86Å; C133-H135 VanDerWaalsContact C-N 3.27Å; C133-H135 PolarHBondContact O-N 3.14Å; C133-I136 WeakPolarHBondContact O-CB 3.41Å; C133-I136 PolarHBondContact O-N 3.18Å; C133-I136 VanDerWaalsContact O-N 3.08Å; C133-Y137 HydrophobicContact CB-CE2 4.21Å; C133-Y137 WeakPolarHBondContact O-CD2 3.42Å; C133-Y137 PolarHBondContact O-N 3.33Å
134M93.2Very high91.1Very high130 Ų13056.7 Ų56.764%0.6431%0.307SS*.Hα-helixtrans-58.5-38.5175.6-77.7-63.1-6700112.4S130 I131 Q132 Y137 K138S130-M134 WeakPolarHBondContact O-CB 3.24Å; S130-M134 VanDerWaalsContact O-CG 3.23Å; S130-M134 WeakPolarHBondContact O-CG 3.26Å; S130-M134 PolarHBondContact O-N 3.1Å; I131-M134 PolarHBondContact O-N 3.37Å; Q132-M134 VanDerWaalsContact C-N 3.34Å; Q132-M134 PolarHBondContact O-N 2.98Å; M134-Y137 PolarHBondContact O-N 3.33Å; M134-K138 PolarHBondContact O-N 2.91Å
135H93.2Very high90.9Very high14 Ų1457.6 Ų57.67%0.06531%0.311CS..Hα-helixtrans-68.5-39173.6-17672000112.6L104 L107 I131 Q132 C133 Y137 K138 L139L104-H135 HydrophobicContact CD1-CB 4.17Å; L104-H135 HydrophobicContact CD2-CB 3.46Å; L104-H135 VanDerWaalsContact CD2-CB 3.46Å; L104-H135 HydrophobicContact CG-CB 3.68Å; L104-H135 PolarHBondContact O-CE1 3.35Å; L104-H135 PolarHBondContact O-NE2 3.22Å; L107-H135 PolarHBondContact O-NE2 2.77Å; L107-H135 VanDerWaalsContact O-NE2 3.13Å; I131-H135 PolarHBondContact O-N 3.42Å; Q132-H135 WeakPolarHBondContact O-CB 3.23Å; Q132-H135 PolarHBondContact O-N 3.3Å; Q132-H135 VanDerWaalsContact O-N 3.14Å; C133-H135 VanDerWaalsContact C-N 3.27Å; C133-H135 PolarHBondContact O-N 3.14Å; H135-Y137 VanDerWaalsContact C-N 3.31Å; H135-Y137 PolarHBondContact O-N 3.35Å; H135-K138 WeakPolarHBondContact O-CB 3Å; H135-K138 PolarHBondContact O-N 3.28Å; H135-K138 VanDerWaalsContact O-N 3.14Å; H135-L139 WeakPolarHBondContact O-CG 3.28Å; H135-L139 PolarHBondContact O-N 2.8Å
136I94Very high90.9Very high0 Ų054.8 Ų54.80%030%0.298CS..Hα-helixtrans-58.8-44.9173.2-58.5-54.4000110.7Q132 C133 K138 L139 Q140 A148 L151 L157 L161 M166Q132-I136 WeakPolarHBondContact O-CG1 3.46Å; Q132-I136 PolarHBondContact O-N 3.43Å; Q132-I136 VanDerWaalsContact O-N 3.1Å; C133-I136 WeakPolarHBondContact O-CB 3.41Å; C133-I136 PolarHBondContact O-N 3.18Å; C133-I136 VanDerWaalsContact O-N 3.08Å; I136-K138 VanDerWaalsContact C-N 3.31Å; I136-K138 PolarHBondContact O-N 2.63Å; I136-L139 PolarHBondContact O-N 3.01Å; I136-Q140 PolarHBondContact O-N 2.69Å; I136-A148 HydrophobicContact CG2-CB 4.08Å; I136-L151 HydrophobicContact CD1-CB 3.87Å; I136-L151 HydrophobicContact CD1-CD2 3.8Å; I136-L151 HydrophobicContact CD1-CG 3.82Å; I136-L157 HydrophobicContact CG1-CD1 4.44Å; I136-L161 HydrophobicContact CB-CD2 4.27Å; I136-L161 HydrophobicContact CG2-CD1 3.9Å; I136-L161 HydrophobicContact CG2-CD2 3.9Å; I136-M166 HydrophobicContact CG2-CE 3.74Å; I136-M166 HydrophobicContact CG2-SD 4.21Å
137Y92.1Very high90.9Very high90 Ų9051.8 Ų51.835%0.35328%0.278SS..Hα-helixtrans-64.4-34.7175.6-67.5-51.9000112.7C133 M134 H135 Q140 A141 L161C133-Y137 HydrophobicContact CB-CE2 4.21Å; C133-Y137 WeakPolarHBondContact O-CD2 3.42Å; C133-Y137 PolarHBondContact O-N 3.33Å; M134-Y137 PolarHBondContact O-N 3.33Å; H135-Y137 VanDerWaalsContact C-N 3.31Å; H135-Y137 PolarHBondContact O-N 3.35Å; Y137-Q140 WeakPolarHBondContact O-CB 3.42Å; Y137-Q140 PolarHBondContact O-N 3.19Å; Y137-A141 WeakPolarHBondContact O-CB 3.3Å; Y137-A141 PolarHBondContact O-N 3.27Å; Y137-L161 HydrophobicContact CE1-CD2 4.17Å
138K91.4Very high90.9Very high125 Ų12551.6 Ų51.654%0.54328%0.277SS..Hα-helixtrans-62.8-46.6172.2-176.3-178.2177.9-177.80111.5M134 H135 I136 Q140 A141 L142M134-K138 PolarHBondContact O-N 2.91Å; H135-K138 WeakPolarHBondContact O-CB 3Å; H135-K138 PolarHBondContact O-N 3.28Å; H135-K138 VanDerWaalsContact O-N 3.14Å; I136-K138 VanDerWaalsContact C-N 3.31Å; I136-K138 PolarHBondContact O-N 2.63Å; K138-Q140 VanDerWaalsContact C-N 3.27Å; K138-Q140 PolarHBondContact O-N 2.94Å; K138-A141 PolarHBondContact O-N 2.88Å; K138-L142 HydrophobicContact CG-CD1 4.35Å; K138-L142 WeakPolarHBondContact O-CG 3.44Å; K138-L142 PolarHBondContact O-N 3.48Å; K138-L142 VanDerWaalsContact O-N 3.13Å
139L90Very high91.1Very high2 Ų247.7 Ų47.71%0.0126%0.256CS..Hα-helixtrans-60.3-40.4175.5-68.9175.1000111.4T108 H135 I136 L142 N143 C144 E147 A148 L151T108-L139 HydrophobicContact CG2-CD2 4.19Å; H135-L139 WeakPolarHBondContact O-CG 3.28Å; H135-L139 PolarHBondContact O-N 2.8Å; I136-L139 PolarHBondContact O-N 3.01Å; L139-L142 CarbonylContact O-C 3.52Å; L139-L142 PolarHBondContact O-N 2.6Å; L139-N143 PolarHBondContact O-N 2.9Å; L139-C144 HydrophobicContact CB-CB 4.21Å; L139-C144 HydrophobicContact CD2-CB 4.24Å; L139-C144 WeakPolarHBondContact O-CA 3.44Å; L139-C144 WeakPolarHBondContact O-CB 3.38Å; L139-C144 PolarHBondContact O-N 3.12Å; L139-E147 HydrophobicContact CD1-CB 4.33Å; L139-A148 HydrophobicContact CB-CB 3.9Å; L139-A148 HydrophobicContact CD1-CB 4.46Å; L139-L151 HydrophobicContact CD1-CD2 4.11Å
140Q88.3Confident91.2Very high32 Ų3245.7 Ų45.715%0.1524%0.242CC..Hα-helixtrans-61.3-47.2175.4-168.5-164.9-9.700111.9I136 Y137 K138 L142 N143 Y145 K165I136-Q140 PolarHBondContact O-N 2.69Å; Y137-Q140 WeakPolarHBondContact O-CB 3.42Å; Y137-Q140 PolarHBondContact O-N 3.19Å; K138-Q140 VanDerWaalsContact C-N 3.27Å; K138-Q140 PolarHBondContact O-N 2.94Å; Q140-L142 PolarHBondContact O-N 3.41Å; Q140-N143 WeakPolarHBondContact O-CA 3.23Å; Q140-N143 PolarHBondContact O-N 3.13Å; Q140-Y145 HydrophobicContact CG-CD1 4.08Å; Q140-Y145 HydrophobicContact CG-CE1 3.63Å; Q140-K165 PolarHBondContact NE2-O 3.4Å
141A87.8Confident91.2Very high81 Ų8142.5 Ų42.567%0.66922%0.219SC*.Hα-helixtrans-61.1-26.7177.800000112.7Y137 K138 N143Y137-A141 WeakPolarHBondContact O-CB 3.3Å; Y137-A141 PolarHBondContact O-N 3.27Å; K138-A141 PolarHBondContact O-N 2.88Å; A141-N143 VanDerWaalsContact C-N 3.3Å
142L86.5Confident91.3Very high105 Ų10541.4 Ų41.455%0.5521%0.214SC..THydrogen-bonded Turntrans-87.17174.6-64173000113.7K138 L139 Q140 C144K138-L142 HydrophobicContact CG-CD1 4.35Å; K138-L142 WeakPolarHBondContact O-CG 3.44Å; K138-L142 PolarHBondContact O-N 3.48Å; K138-L142 VanDerWaalsContact O-N 3.13Å; L139-L142 CarbonylContact O-C 3.52Å; L139-L142 PolarHBondContact O-N 2.6Å; Q140-L142 PolarHBondContact O-N 3.41Å; L142-C144 PolarHBondContact O-N 2.93Å
143N85.8Confident91.3Very high64 Ų6443.7 Ų43.734%0.34223%0.226SC..THydrogen-bonded Turntrans61.420.4-174.7-60-64.6000115L139 Q140 A141 Y145 C216L139-N143 PolarHBondContact O-N 2.9Å; Q140-N143 WeakPolarHBondContact O-CA 3.23Å; Q140-N143 PolarHBondContact O-N 3.13Å; A141-N143 VanDerWaalsContact C-N 3.3Å; N143-Y145 VanDerWaalsContact C-N 3.25Å; N143-Y145 HydrophobicContact CB-CD2 4.41Å; N143-Y145 HydrophobicContact CB-CE2 3.76Å; N143-Y145 VanDerWaalsContact O-CD2 3.28Å; N143-Y145 WeakPolarHBondContact O-CD2 3.35Å; N143-Y145 PolarHBondContact O-N 3.2Å; N143-Y145 VanDerWaalsContact O-N 3.11Å; N143-Y145 WeakPolarHBondContact OD1-CE2 3.49Å; N143-Y145 PolarHBondContact OD1-OH 2.87Å; N143-C216 PolarHBondContact ND2-O 3.28Å; N143-C216 PolarHBondContact OD1-O 3.29Å
144C87.8Confident91.3Very high35 Ų3545.6 Ų45.624%0.23623%0.232CC..  trans-86.157175.6-64.90000111.3L139 L142 K146 E147 A148L139-C144 HydrophobicContact CB-CB 4.21Å; L139-C144 HydrophobicContact CD2-CB 4.24Å; L139-C144 WeakPolarHBondContact O-CA 3.44Å; L139-C144 WeakPolarHBondContact O-CB 3.38Å; L139-C144 PolarHBondContact O-N 3.12Å; L142-C144 PolarHBondContact O-N 2.93Å; C144-K146 VanDerWaalsContact C-N 3.33Å; C144-K146 PolarHBondContact O-N 3.48Å; C144-E147 VanDerWaalsContact CA-OE2 3.24Å; C144-E147 WeakPolarHBondContact CA-OE2 3.43Å; C144-E147 HydrophobicContact CB-CB 4.1Å; C144-E147 HydrophobicContact CB-CG 4.21Å; C144-E147 WeakPolarHBondContact CB-OE2 3.37Å; C144-E147 PolarHBondContact O-N 3.25Å; C144-A148 VanDerWaalsContact O-CB 3.31Å; C144-A148 WeakPolarHBondContact O-CB 3.12Å; C144-A148 PolarHBondContact O-N 3.16Å
145Y89.2Confident91.3Very high19 Ų1940.5 Ų40.58%0.07521%0.207CC..Hα-helixtrans-65-34.2-173.7-59.1-79.1000113.5Q140 N143 V149 P169 L217Q140-Y145 HydrophobicContact CG-CD1 4.08Å; Q140-Y145 HydrophobicContact CG-CE1 3.63Å; N143-Y145 VanDerWaalsContact C-N 3.25Å; N143-Y145 HydrophobicContact CB-CD2 4.41Å; N143-Y145 HydrophobicContact CB-CE2 3.76Å; N143-Y145 VanDerWaalsContact O-CD2 3.28Å; N143-Y145 WeakPolarHBondContact O-CD2 3.35Å; N143-Y145 PolarHBondContact O-N 3.2Å; N143-Y145 VanDerWaalsContact O-N 3.11Å; N143-Y145 WeakPolarHBondContact OD1-CE2 3.49Å; N143-Y145 PolarHBondContact OD1-OH 2.87Å; Y145-V149 WeakPolarHBondContact O-CB 3.46Å; Y145-V149 PolarHBondContact O-N 3.08Å; Y145-P169 HydrophobicContact CD1-CB 3.61Å; Y145-P169 HydrophobicContact CD1-CG 3.72Å; Y145-P169 HydrophobicContact CD2-CB 3.72Å; Y145-P169 HydrophobicContact CE1-CB 3.69Å; Y145-P169 HydrophobicContact CE1-CG 3.46Å; Y145-P169 VanDerWaalsContact CE1-CG 3.46Å; Y145-P169 HydrophobicContact CE2-CB 3.81Å; Y145-P169 HydrophobicContact CE2-CG 4.36Å; Y145-P169 HydrophobicContact CG-CB 3.62Å; Y145-P169 HydrophobicContact CG-CG 4.27Å; Y145-L217 HydrophobicContact CD2-CD1 3.9Å; Y145-L217 HydrophobicContact CE2-CD1 3.34Å
146K90.9Very high91.3Very high81 Ų8142 Ų4235%0.35223%0.227SC..Hα-helixtrans-66.9-44-179.7-171.9-155.4173.6-163.10110.1T110 C144 T150 L178T110-K146 HydrophobicContact CG2-CB 4.45Å; T110-K146 HydrophobicContact CG2-CD 3.72Å; T110-K146 HydrophobicContact CG2-CG 3.92Å; T110-K146 PolarHBondContact OG1-NZ 2.99Å; C144-K146 VanDerWaalsContact C-N 3.33Å; C144-K146 PolarHBondContact O-N 3.48Å; K146-T150 VanDerWaalsContact O-CB 3.3Å; K146-T150 WeakPolarHBondContact O-CB 3.03Å; K146-T150 PolarHBondContact O-N 3.44Å; K146-T150 PolarHBondContact O-OG1 3.43Å; K146-L178 HydrophobicContact CB-CD2 4.23Å; K146-L178 HydrophobicContact CG-CD2 3.6Å
147E90.7Very high91.3Very high35 Ų3542.4 Ų42.416%0.16423%0.229CC..Hα-helixtrans-64.6-49.4177.5-60.965.9-151.800109.9T108 T110 L139 C144 V149 T150 L151T108-E147 WeakPolarHBondContact O-CG 3.43Å; T110-E147 HydrophobicContact CG2-CB 4.28Å; T110-E147 HydrophobicContact CG2-CG 3.87Å; L139-E147 HydrophobicContact CD1-CB 4.33Å; C144-E147 VanDerWaalsContact CA-OE2 3.24Å; C144-E147 WeakPolarHBondContact CA-OE2 3.43Å; C144-E147 HydrophobicContact CB-CB 4.1Å; C144-E147 HydrophobicContact CB-CG 4.21Å; C144-E147 WeakPolarHBondContact CB-OE2 3.37Å; C144-E147 PolarHBondContact O-N 3.25Å; E147-V149 PolarHBondContact O-N 2.91Å; E147-T150 PolarHBondContact O-N 3.14Å; E147-L151 VanDerWaalsContact O-CB 3.28Å; E147-L151 WeakPolarHBondContact O-CB 3.39Å; E147-L151 PolarHBondContact O-N 3.43Å
148A92.9Very high91.5Very high0 Ų038.7 Ų38.70%022%0.215CC..Hα-helixtrans-56.9-47.117800000112.2I136 L139 C144 S152 M166I136-A148 HydrophobicContact CG2-CB 4.08Å; L139-A148 HydrophobicContact CB-CB 3.9Å; L139-A148 HydrophobicContact CD1-CB 4.46Å; C144-A148 VanDerWaalsContact O-CB 3.31Å; C144-A148 WeakPolarHBondContact O-CB 3.12Å; C144-A148 PolarHBondContact O-N 3.16Å; A148-S152 WeakPolarHBondContact O-CB 3.34Å; A148-S152 PolarHBondContact O-N 2.84Å; A148-S152 PolarHBondContact O-OG 3.22Å; A148-M166 HydrophobicContact CB-CE 3.72Å
149V94.5Very high91.6Very high0 Ų036.7 Ų36.70%021%0.214CC..Hα-helixtrans-69.9-40.7177.5166.30000112.6Y145 E147 L151 S152 I153 M166 L167 L170 L178 F182Y145-V149 WeakPolarHBondContact O-CB 3.46Å; Y145-V149 PolarHBondContact O-N 3.08Å; E147-V149 PolarHBondContact O-N 2.91Å; V149-L151 VanDerWaalsContact C-N 3.34Å; V149-L151 PolarHBondContact O-N 2.9Å; V149-S152 WeakPolarHBondContact CA-OG 3.25Å; V149-S152 PolarHBondContact O-N 3.12Å; V149-S152 PolarHBondContact O-OG 2.72Å; V149-I153 HydrophobicContact CG1-CD1 3.89Å; V149-I153 WeakPolarHBondContact O-CD1 3.24Å; V149-I153 VanDerWaalsContact O-CG1 3.23Å; V149-I153 WeakPolarHBondContact O-CG1 3.41Å; V149-I153 PolarHBondContact O-N 3.25Å; V149-I153 VanDerWaalsContact O-N 3.12Å; V149-M166 HydrophobicContact CB-CE 4.5Å; V149-M166 HydrophobicContact CG2-CB 4.12Å; V149-M166 HydrophobicContact CG2-CE 3.59Å; V149-L167 HydrophobicContact CG2-CD2 4.49Å; V149-L170 HydrophobicContact CB-CD1 3.88Å; V149-L170 HydrophobicContact CG1-CD1 4.04Å; V149-L170 HydrophobicContact CG2-CD1 3.51Å; V149-L178 HydrophobicContact CB-CD2 4.5Å; V149-L178 HydrophobicContact CG1-CD1 4.03Å; V149-L178 HydrophobicContact CG1-CD2 4.31Å; V149-L178 HydrophobicContact CG1-CG 3.8Å; V149-F182 HydrophobicContact CG1-CB 3.82Å; V149-F182 HydrophobicContact CG1-CD2 3.91Å; V149-F182 HydrophobicContact CG1-CG 4.23Å; V149-F182 HydrophobicContact CG2-CD2 4.34Å
150T93.5Very high91.7Very high30 Ų3042.2 Ų42.218%0.18424%0.239CC..Hα-helixtrans-64.1-43179-57.60000111K146 E147 K154K146-T150 VanDerWaalsContact O-CB 3.3Å; K146-T150 WeakPolarHBondContact O-CB 3.03Å; K146-T150 PolarHBondContact O-N 3.44Å; K146-T150 PolarHBondContact O-OG1 3.43Å; E147-T150 PolarHBondContact O-N 3.14Å; T150-K154 WeakPolarHBondContact O-CG 3.38Å; T150-K154 PolarHBondContact O-N 2.95Å
151L93.2Very high92Very high7 Ų741.3 Ų41.34%0.03724%0.235CC..Hα-helixtrans-70.1-40.1180-17459000111.6L104 L107 V115 M119 I136 L139 E147 V149 I153 K154 L155L104-L151 HydrophobicContact CD1-CD2 4.3Å; L107-L151 HydrophobicContact CB-CD2 4.13Å; L107-L151 HydrophobicContact CD1-CD1 3.92Å; L107-L151 HydrophobicContact CD1-CD2 4.45Å; V115-L151 HydrophobicContact CG1-CD1 4.33Å; M119-L151 HydrophobicContact SD-CD1 3.98Å; I136-L151 HydrophobicContact CD1-CB 3.87Å; I136-L151 HydrophobicContact CD1-CD2 3.8Å; I136-L151 HydrophobicContact CD1-CG 3.82Å; L139-L151 HydrophobicContact CD1-CD2 4.11Å; E147-L151 VanDerWaalsContact O-CB 3.28Å; E147-L151 WeakPolarHBondContact O-CB 3.39Å; E147-L151 PolarHBondContact O-N 3.43Å; V149-L151 VanDerWaalsContact C-N 3.34Å; V149-L151 PolarHBondContact O-N 2.9Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 PolarHBondContact O-N 3.08Å; L151-K154 PolarHBondContact O-N 2.86Å; L151-L155 HydrophobicContact CD1-CD1 3.97Å; L151-L155 HydrophobicContact CD1-CG 4.16Å; L151-L155 HydrophobicContact CD2-CD1 4.46Å; L151-L155 HydrophobicContact CG-CD1 3.79Å; L151-L155 HydrophobicContact CG-CG 4.38Å; L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 WeakPolarHBondContact O-CG 3.23Å; L151-L155 PolarHBondContact O-N 3.01Å
152S94.6Very high92.2Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-62.8-38.7176.865.70000112.8A148 V149 L155 G156 L157 Q158 F182A148-S152 WeakPolarHBondContact O-CB 3.34Å; A148-S152 PolarHBondContact O-N 2.84Å; A148-S152 PolarHBondContact O-OG 3.22Å; V149-S152 WeakPolarHBondContact CA-OG 3.25Å; V149-S152 PolarHBondContact O-N 3.12Å; V149-S152 PolarHBondContact O-OG 2.72Å; S152-L155 PolarHBondContact O-N 3.14Å; S152-G156 PolarHBondContact O-N 3.36Å; S152-L157 PolarHBondContact O-N 3.35Å; S152-Q158 PolarHBondContact O-OE1 3.44Å; S152-F182 WeakPolarHBondContact OG-CE2 3.43Å
153I94.4Very high92.5Very high54 Ų5436.7 Ų36.728%0.27720%0.2SC..Hα-helixtrans-61.3-45.6172.6-66.2163.4000111V149 L151 L155 G156 Q158 F182V149-I153 HydrophobicContact CG1-CD1 3.89Å; V149-I153 WeakPolarHBondContact O-CD1 3.24Å; V149-I153 VanDerWaalsContact O-CG1 3.23Å; V149-I153 WeakPolarHBondContact O-CG1 3.41Å; V149-I153 PolarHBondContact O-N 3.25Å; V149-I153 VanDerWaalsContact O-N 3.12Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 PolarHBondContact O-N 3.08Å; I153-L155 VanDerWaalsContact C-N 3.28Å; I153-L155 PolarHBondContact O-N 3.39Å; I153-G156 PolarHBondContact O-N 3.42Å; I153-Q158 HydrophobicContact CG1-CG 4.27Å; I153-F182 HydrophobicContact CD1-CB 4.2Å; I153-F182 HydrophobicContact CG1-CB 4.42Å; I153-F182 HydrophobicContact CG1-CD2 4.23Å
154K92.7Very high92.8Very high54 Ų5438.7 Ų38.724%0.23521%0.207CC..Hα-helixtrans-65.6-31.9-179.7-76.4179.5174.5-71.80112.9V115 D116 M119 K125 T150 L151V115-K154 HydrophobicContact CG1-CD 3.83Å; D116-K154 IonicContact OD1-NZ 2.74Å; D116-K154 PolarHBondContact OD1-NZ 3.41Å; D116-K154 IonicContact OD2-NZ 3.61Å; D116-K154 PolarHBondContact OD2-NZ 3.09Å; M119-K154 HydrophobicContact CE-CB 4.16Å; M119-K154 HydrophobicContact SD-CB 4.19Å; M119-K154 HydrophobicContact SD-CD 4.25Å; K125-K154 VanDerWaalsContact CE-O 3.27Å; K125-K154 WeakPolarHBondContact CE-O 3.34Å; T150-K154 WeakPolarHBondContact O-CG 3.38Å; T150-K154 PolarHBondContact O-N 2.95Å; L151-K154 PolarHBondContact O-N 2.86Å
155L92.9Very high92.8Very high22 Ų2242.9 Ų42.912%0.11522%0.221CC..Hα-helixtrans-88-13.3178.9-66173.1000113.4M119 I124 K125 Q132 L151 S152 I153 L157M119-L155 HydrophobicContact CE-CD2 3.42Å; M119-L155 VanDerWaalsContact CE-CD2 3.42Å; M119-L155 HydrophobicContact CE-CG 4.13Å; I124-L155 HydrophobicContact CG2-CD2 3.98Å; K125-L155 HydrophobicContact CG-CD2 4.21Å; Q132-L155 HydrophobicContact CB-CD1 4.17Å; Q132-L155 HydrophobicContact CG-CD1 4.41Å; L151-L155 HydrophobicContact CD1-CD1 3.97Å; L151-L155 HydrophobicContact CD1-CG 4.16Å; L151-L155 HydrophobicContact CD2-CD1 4.46Å; L151-L155 HydrophobicContact CG-CD1 3.79Å; L151-L155 HydrophobicContact CG-CG 4.38Å; L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 WeakPolarHBondContact O-CG 3.23Å; L151-L155 PolarHBondContact O-N 3.01Å; S152-L155 PolarHBondContact O-N 3.14Å; I153-L155 VanDerWaalsContact C-N 3.28Å; I153-L155 PolarHBondContact O-N 3.39Å; L155-L157 HydrophobicContact CB-CD1 3.68Å; L155-L157 HydrophobicContact CB-CG 3.76Å; L155-L157 HydrophobicContact CD1-CD1 3.82Å; L155-L157 HydrophobicContact CG-CD1 4.41Å
156G93.8Very high93Very high47 Ų4742 Ų4249%0.48522%0.218SC..THydrogen-bonded Turntrans76.427.3-178.200000113.7S152 I153S152-G156 PolarHBondContact O-N 3.36Å; I153-G156 PolarHBondContact O-N 3.42Å
157L94.6Very high93Very high7 Ų738.2 Ų38.24%0.03720%0.201CC..  trans-96.79.5-172.3-63.1172.4000113.9P129 Q132 I136 S152 L155 T159 E160 L161P129-L157 HydrophobicContact CB-CD2 4.19Å; Q132-L157 HydrophobicContact CB-CD1 3.61Å; I136-L157 HydrophobicContact CG1-CD1 4.44Å; S152-L157 PolarHBondContact O-N 3.35Å; L155-L157 HydrophobicContact CB-CD1 3.68Å; L155-L157 HydrophobicContact CB-CG 3.76Å; L155-L157 HydrophobicContact CD1-CD1 3.82Å; L155-L157 HydrophobicContact CG-CD1 4.41Å; L157-T159 PolarHBondContact O-N 3.5Å; L157-T159 VanDerWaalsContact O-N 3.16Å; L157-E160 PolarHBondContact O-N 3.42Å; L157-E160 VanDerWaalsContact O-N 3.08Å; L157-L161 HydrophobicContact CB-CD1 4.44Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å
158Q95.4Very high93.1Very high13 Ų1337.6 Ų37.66%0.06120%0.199CC..G310 helixtrans-61.3-30.4-169.2-58101-7300113.8S152 I153 F182 H186 L189S152-Q158 PolarHBondContact O-OE1 3.44Å; I153-Q158 HydrophobicContact CG1-CG 4.27Å; Q158-F182 HydrophobicContact CB-CD2 4.21Å; Q158-F182 HydrophobicContact CB-CE1 4.2Å; Q158-F182 HydrophobicContact CB-CE2 3.74Å; Q158-F182 HydrophobicContact CB-CZ 3.73Å; Q158-F182 HydrophobicContact CG-CD2 3.63Å; Q158-F182 HydrophobicContact CG-CE2 3.54Å; Q158-F182 HydrophobicContact CG-CG 4.25Å; Q158-F182 HydrophobicContact CG-CZ 4.07Å; Q158-F182 WeakPolarHBondContact CG-O 3.41Å; Q158-H186 PolarHBondContact NE2-NE2 3.11Å; Q158-L189 HydrophobicContact CB-CD1 3.82Å
159T94.1Very high92.9Very high83 Ų8337.7 Ų37.751%0.50920%0.2SC..G310 helixtrans-77.4-21178.552.20000114L157L157-T159 PolarHBondContact O-N 3.5Å; L157-T159 VanDerWaalsContact O-N 3.16Å
160E92.8Very high92.7Very high118 Ų11837.7 Ų37.755%0.55120%0.2SC*.G310 helixtrans-88.1-8.3-177.7-54.5-50.2124.700112.7L157L157-E160 PolarHBondContact O-N 3.42Å; L157-E160 VanDerWaalsContact O-N 3.08Å
161L93.4Very high92.6Very high12 Ų1236.8 Ų36.86%0.06319%0.193CC..SBendtrans-105.9149.4-173.3-61.9171.3000111.3I136 Y137 L157 M163 M166 F182I136-L161 HydrophobicContact CB-CD2 4.27Å; I136-L161 HydrophobicContact CG2-CD1 3.9Å; I136-L161 HydrophobicContact CG2-CD2 3.9Å; Y137-L161 HydrophobicContact CE1-CD2 4.17Å; L157-L161 HydrophobicContact CB-CD1 4.44Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å; L161-M163 PolarHBondContact O-N 3.13Å; L161-M163 VanDerWaalsContact O-N 3.14Å; L161-M166 HydrophobicContact CB-CG 4.21Å; L161-M166 HydrophobicContact CD1-CE 4.16Å; L161-F182 HydrophobicContact CB-CZ 4.43Å; L161-F182 HydrophobicContact CD1-CE2 4.2Å; L161-F182 HydrophobicContact CD1-CZ 4.49Å
162N92.4Very high92.3Very high75 Ų7536.6 Ų36.640%0.40119%0.192SC..  trans-72108.7172.4-177.2-67.8000110.4E164 K165 M166N162-E164 PolarHBondContact O-N 2.87Å; N162-E164 PolarHBondContact OD1-N 3.48Å; N162-K165 HydrophobicContact CB-CB 4.05Å; N162-K165 HydrophobicContact CB-CD 4.14Å; N162-K165 HydrophobicContact CB-CG 4.29Å; N162-K165 PolarHBondContact O-N 2.88Å; N162-K165 WeakPolarHBondContact OD1-CB 3.47Å; N162-K165 WeakPolarHBondContact OD1-CG 3.43Å; N162-K165 PolarHBondContact OD1-N 3.39Å; N162-M166 VanDerWaalsContact O-CG 3.3Å; N162-M166 WeakPolarHBondContact O-CG 3.5Å; N162-M166 PolarHBondContact O-N 3.1Å
163M93.1Very high91.9Very high14 Ų1438.2 Ų38.27%0.06920%0.2CC..Hα-helixtrans-53.3-50.3-176.8-179-76.5-75.400112.8L161 K165 M166 L167 L189 Q192 L196L161-M163 PolarHBondContact O-N 3.13Å; L161-M163 VanDerWaalsContact O-N 3.14Å; M163-K165 VanDerWaalsContact C-N 3.35Å; M163-K165 PolarHBondContact O-N 3.14Å; M163-M166 PolarHBondContact O-N 3.45Å; M163-M166 VanDerWaalsContact O-N 3.09Å; M163-L167 HydrophobicContact CG-CD1 3.64Å; M163-L167 HydrophobicContact CG-CG 4.03Å; M163-L167 WeakPolarHBondContact O-CB 3.35Å; M163-L167 WeakPolarHBondContact O-CG 3.3Å; M163-L167 PolarHBondContact O-N 2.98Å; M163-L167 HydrophobicContact SD-CB 4.05Å; M163-L167 HydrophobicContact SD-CD1 3.59Å; M163-L167 VanDerWaalsContact SD-CD1 3.59Å; M163-L167 HydrophobicContact SD-CG 3.94Å; M163-L189 HydrophobicContact CB-CD2 4.19Å; M163-L189 HydrophobicContact CG-CD2 4.36Å; M163-Q192 HydrophobicContact CE-CB 3.62Å; M163-L196 HydrophobicContact CE-CB 4.32Å; M163-L196 HydrophobicContact CE-CD2 4.12Å; M163-L196 HydrophobicContact SD-CD2 3.99Å
164E91.1Very high91.6Very high106 Ų10639.9 Ų39.950%0.49521%0.21SC..Hα-helixtrans-61.6-44.4-175.8-70.4-176.6-170.700111.8N162 M166 L167 I168 L196N162-E164 PolarHBondContact O-N 2.87Å; N162-E164 PolarHBondContact OD1-N 3.48Å; E164-M166 PolarHBondContact O-N 3.02Å; E164-L167 PolarHBondContact O-N 3.44Å; E164-I168 HydrophobicContact CB-CD1 3.87Å; E164-I168 HydrophobicContact CB-CG1 4.38Å; E164-I168 HydrophobicContact CG-CD1 4.35Å; E164-I168 VanDerWaalsContact O-CB 3.29Å; E164-I168 WeakPolarHBondContact O-CB 3.47Å; E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.31Å; E164-I168 PolarHBondContact O-N 3.27Å; E164-L196 HydrophobicContact CG-CD1 4.49Å
165K89.5Confident91.5Very high124 Ų12440.6 Ų40.654%0.53921%0.213SC..Hα-helixtrans-61.1-29.7176.8-81.1-172-178.2-1760113.3Q140 N162 M163Q140-K165 PolarHBondContact NE2-O 3.4Å; N162-K165 HydrophobicContact CB-CB 4.05Å; N162-K165 HydrophobicContact CB-CD 4.14Å; N162-K165 HydrophobicContact CB-CG 4.29Å; N162-K165 PolarHBondContact O-N 2.88Å; N162-K165 WeakPolarHBondContact OD1-CB 3.47Å; N162-K165 WeakPolarHBondContact OD1-CG 3.43Å; N162-K165 PolarHBondContact OD1-N 3.39Å; M163-K165 VanDerWaalsContact C-N 3.35Å; M163-K165 PolarHBondContact O-N 3.14Å
166M91.4Very high91.5Very high1 Ų140.2 Ų40.21%0.00521%0.211CC..Hα-helixtrans-86.1-41.5178.2-62.8-61.8-69.100112.2I136 A148 V149 L161 N162 M163 E164I136-M166 HydrophobicContact CG2-CE 3.74Å; I136-M166 HydrophobicContact CG2-SD 4.21Å; A148-M166 HydrophobicContact CB-CE 3.72Å; V149-M166 HydrophobicContact CB-CE 4.5Å; V149-M166 HydrophobicContact CG2-CB 4.12Å; V149-M166 HydrophobicContact CG2-CE 3.59Å; L161-M166 HydrophobicContact CB-CG 4.21Å; L161-M166 HydrophobicContact CD1-CE 4.16Å; N162-M166 VanDerWaalsContact O-CG 3.3Å; N162-M166 WeakPolarHBondContact O-CG 3.5Å; N162-M166 PolarHBondContact O-N 3.1Å; M163-M166 PolarHBondContact O-N 3.45Å; M163-M166 VanDerWaalsContact O-N 3.09Å; E164-M166 PolarHBondContact O-N 3.02Å
167L92.9Very high91.5Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-94.7-36.7-167.1-59.5-164.4000114V149 M163 E164 L170 I171 A179 F182 V183 L193V149-L167 HydrophobicContact CG2-CD2 4.49Å; M163-L167 HydrophobicContact CG-CD1 3.64Å; M163-L167 HydrophobicContact CG-CG 4.03Å; M163-L167 WeakPolarHBondContact O-CB 3.35Å; M163-L167 WeakPolarHBondContact O-CG 3.3Å; M163-L167 PolarHBondContact O-N 2.98Å; M163-L167 HydrophobicContact SD-CB 4.05Å; M163-L167 HydrophobicContact SD-CD1 3.59Å; M163-L167 VanDerWaalsContact SD-CD1 3.59Å; M163-L167 HydrophobicContact SD-CG 3.94Å; E164-L167 PolarHBondContact O-N 3.44Å; L167-L170 HydrophobicContact CD2-CD1 4.47Å; L167-L170 WeakPolarHBondContact O-CB 3.23Å; L167-L170 PolarHBondContact O-N 3.47Å; L167-I171 HydrophobicContact CB-CD1 4.31Å; L167-I171 VanDerWaalsContact O-CG1 3.3Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 3.3Å; L167-A179 HydrophobicContact CB-CB 4.38Å; L167-A179 HydrophobicContact CD1-CB 4.22Å; L167-A179 HydrophobicContact CD2-CB 3.82Å; L167-A179 HydrophobicContact CG-CB 4.36Å; L167-F182 HydrophobicContact CD1-CD1 4.02Å; L167-F182 HydrophobicContact CD2-CB 3.96Å; L167-F182 HydrophobicContact CD2-CD1 3.69Å; L167-F182 HydrophobicContact CD2-CE1 4.37Å; L167-F182 HydrophobicContact CD2-CG 3.88Å; L167-F182 HydrophobicContact CG-CD1 4.13Å; L167-V183 HydrophobicContact CD1-CG1 3.72Å; L167-L193 HydrophobicContact CD1-CD1 3.98Å
168I91.4Very high91.6Very high22 Ų2243.4 Ų43.411%0.11322%0.221CC..Hα-helixtrans-55-49.5-179.9-67.2176.1000111E164 L170 I171 L172 L196 W200 I210E164-I168 HydrophobicContact CB-CD1 3.87Å; E164-I168 HydrophobicContact CB-CG1 4.38Å; E164-I168 HydrophobicContact CG-CD1 4.35Å; E164-I168 VanDerWaalsContact O-CB 3.29Å; E164-I168 WeakPolarHBondContact O-CB 3.47Å; E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.31Å; E164-I168 PolarHBondContact O-N 3.27Å; I168-L170 VanDerWaalsContact C-N 3.27Å; I168-L170 PolarHBondContact O-N 2.98Å; I168-I171 PolarHBondContact O-N 3.11Å; I168-L172 HydrophobicContact CG2-CD1 3.84Å; I168-L172 HydrophobicContact CG2-CG 4.16Å; I168-L172 WeakPolarHBondContact O-CB 3.43Å; I168-L172 VanDerWaalsContact O-CG 3.28Å; I168-L172 WeakPolarHBondContact O-CG 3.49Å; I168-L172 PolarHBondContact O-N 3.3Å; I168-L196 HydrophobicContact CD1-CD1 4.3Å; I168-L196 HydrophobicContact CG1-CD1 4.42Å; I168-L196 HydrophobicContact CG1-CD2 3.92Å; I168-W200 HydrophobicContact CD1-CZ2 4.45Å; I168-W200 HydrophobicContact CG1-CH2 4.31Å; I168-W200 HydrophobicContact CG1-CZ2 4.03Å; I168-W200 HydrophobicContact CG2-CH2 4.39Å; I168-I210 HydrophobicContact CG2-CG2 3.57Å
169P89.8Confident91.6Very high3 Ų342.8 Ų42.82%0.01922%0.218CC..Hα-helixtrans-59.6-35.2178-27.138.7000113.7Y145 Q173 L217Y145-P169 HydrophobicContact CD1-CB 3.61Å; Y145-P169 HydrophobicContact CD1-CG 3.72Å; Y145-P169 HydrophobicContact CD2-CB 3.72Å; Y145-P169 HydrophobicContact CE1-CB 3.69Å; Y145-P169 HydrophobicContact CE1-CG 3.46Å; Y145-P169 VanDerWaalsContact CE1-CG 3.46Å; Y145-P169 HydrophobicContact CE2-CB 3.81Å; Y145-P169 HydrophobicContact CE2-CG 4.36Å; Y145-P169 HydrophobicContact CG-CB 3.62Å; Y145-P169 HydrophobicContact CG-CG 4.27Å; P169-Q173 WeakPolarHBondContact O-CG 3.41Å; P169-Q173 PolarHBondContact O-N 3.35Å; P169-L217 HydrophobicContact CB-CD1 3.88Å; P169-L217 HydrophobicContact CB-CD2 4.27Å
170L89.9Confident91.7Very high0 Ų039.6 Ų39.60%020%0.198CC..Hα-helixtrans-70.6-42.7176.9-70.8-177.8000112.1V149 L167 I168 L172 Q173 D174 K175 L178V149-L170 HydrophobicContact CB-CD1 3.88Å; V149-L170 HydrophobicContact CG1-CD1 4.04Å; V149-L170 HydrophobicContact CG2-CD1 3.51Å; L167-L170 HydrophobicContact CD2-CD1 4.47Å; L167-L170 WeakPolarHBondContact O-CB 3.23Å; L167-L170 PolarHBondContact O-N 3.47Å; I168-L170 VanDerWaalsContact C-N 3.27Å; I168-L170 PolarHBondContact O-N 2.98Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L170-Q173 CarbonylContact O-C 3.46Å; L170-Q173 PolarHBondContact O-N 2.92Å; L170-D174 PolarHBondContact O-N 2.94Å; L170-K175 HydrophobicContact CB-CB 4.18Å; L170-K175 HydrophobicContact CD2-CB 4.24Å; L170-K175 HydrophobicContact CD2-CD 3.87Å; L170-K175 WeakPolarHBondContact O-CA 2.95Å; L170-K175 WeakPolarHBondContact O-CB 3.4Å; L170-K175 PolarHBondContact O-N 3.35Å; L170-L178 HydrophobicContact CD1-CB 4.41Å; L170-L178 HydrophobicContact CD1-CD2 3.94Å; L170-L178 HydrophobicContact CD1-CG 4.04Å; L170-L178 HydrophobicContact CD2-CD2 4.14Å
171I90.9Very high91.9Very high10 Ų1036.9 Ų36.95%0.05119%0.191CC..Hα-helixtrans-64.6-42.3178.2-60.1159.4000109.6L167 I168 Q173 D174 L176 A179 L193 L196 L197 W200L167-I171 HydrophobicContact CB-CD1 4.31Å; L167-I171 VanDerWaalsContact O-CG1 3.3Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 3.3Å; I168-I171 PolarHBondContact O-N 3.11Å; I171-Q173 PolarHBondContact O-N 2.89Å; I171-Q173 VanDerWaalsContact O-N 3.17Å; I171-D174 PolarHBondContact O-N 3.41Å; I171-L176 HydrophobicContact CG1-CD1 4.21Å; I171-A179 HydrophobicContact CG1-CB 4.32Å; I171-L193 HydrophobicContact CD1-CD1 4.01Å; I171-L196 HydrophobicContact CD1-CD2 4.24Å; I171-L197 HydrophobicContact CD1-CD2 4.02Å; I171-L197 HydrophobicContact CG2-CD2 4.08Å; I171-W200 HydrophobicContact CB-CH2 4.28Å; I171-W200 HydrophobicContact CB-CZ3 4.21Å; I171-W200 HydrophobicContact CD1-CH2 4.16Å; I171-W200 HydrophobicContact CD1-CZ3 4.49Å; I171-W200 HydrophobicContact CG2-CH2 4.12Å; I171-W200 HydrophobicContact CG2-CZ3 3.55Å
172L86.9Confident92.1Very high3 Ų336.3 Ų36.32%0.01619%0.188CC..Hα-helixtrans-60.1-22.3173.1-67179000113.3I168 L170 V207 I210 L217 L219 Y223 I227I168-L172 HydrophobicContact CG2-CD1 3.84Å; I168-L172 HydrophobicContact CG2-CG 4.16Å; I168-L172 WeakPolarHBondContact O-CB 3.43Å; I168-L172 VanDerWaalsContact O-CG 3.28Å; I168-L172 WeakPolarHBondContact O-CG 3.49Å; I168-L172 PolarHBondContact O-N 3.3Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L172-V207 HydrophobicContact CD2-CG2 3.99Å; L172-I210 HydrophobicContact CD1-CG2 4.14Å; L172-I210 HydrophobicContact CD2-CG2 4.45Å; L172-L217 HydrophobicContact CB-CD2 3.83Å; L172-L217 HydrophobicContact CD1-CD2 3.83Å; L172-L217 HydrophobicContact CG-CD2 4.5Å; L172-L219 HydrophobicContact CB-CD1 4.18Å; L172-L219 HydrophobicContact CB-CD2 3.98Å; L172-L219 HydrophobicContact CD1-CD1 4.23Å; L172-L219 WeakPolarHBondContact O-CD2 3.35Å; L172-Y223 WeakPolarHBondContact O-CB 3.41Å; L172-I227 HydrophobicContact CD2-CD1 3.48Å; L172-I227 VanDerWaalsContact CD2-CD1 3.48Å; L172-I227 HydrophobicContact CG-CD1 4.47Å
173Q86.1Confident92.3Very high34 Ų3432.7 Ų32.716%0.15917%0.169CC..THydrogen-bonded Turntrans-97.714.9176.8-71.2178.5-3.400113.7P169 L170 I171 K175 L219 Y223P169-Q173 WeakPolarHBondContact O-CG 3.41Å; P169-Q173 PolarHBondContact O-N 3.35Å; L170-Q173 CarbonylContact O-C 3.46Å; L170-Q173 PolarHBondContact O-N 2.92Å; I171-Q173 PolarHBondContact O-N 2.89Å; I171-Q173 VanDerWaalsContact O-N 3.17Å; Q173-K175 VanDerWaalsContact C-N 3.26Å; Q173-K175 HydrophobicContact CB-CD 4.16Å; Q173-K175 HydrophobicContact CB-CG 4.3Å; Q173-K175 PolarHBondContact O-N 3.23Å; Q173-L219 HydrophobicContact CG-CD2 4.3Å; Q173-Y223 WeakPolarHBondContact O-CE1 3.48Å
174D87.6Confident92.4Very high90 Ų9039.1 Ų39.148%0.48120%0.197SC..THydrogen-bonded Turntrans58.135.5-175.2-167.732.9000113.5L170 I171 Y223 Q226L170-D174 PolarHBondContact O-N 2.94Å; I171-D174 PolarHBondContact O-N 3.41Å; D174-Y223 HydrophobicContact CB-CD1 3.8Å; D174-Y223 HydrophobicContact CB-CE1 3.99Å; D174-Q226 PolarHBondContact OD2-OE1 3.28Å; D174-Q226 VanDerWaalsContact OD2-OE1 3.08Å
175K90.6Very high92.5Very high69 Ų6937.1 Ų37.130%0.321%0.205SC..  trans-111.335.6178.8-62.7173.4-174.3163.90112.3L170 Q173 P177 L178 A179L170-K175 HydrophobicContact CB-CB 4.18Å; L170-K175 HydrophobicContact CD2-CB 4.24Å; L170-K175 HydrophobicContact CD2-CD 3.87Å; L170-K175 WeakPolarHBondContact O-CA 2.95Å; L170-K175 WeakPolarHBondContact O-CB 3.4Å; L170-K175 PolarHBondContact O-N 3.35Å; Q173-K175 VanDerWaalsContact C-N 3.26Å; Q173-K175 HydrophobicContact CB-CD 4.16Å; Q173-K175 HydrophobicContact CB-CG 4.3Å; Q173-K175 PolarHBondContact O-N 3.23Å; K175-P177 VanDerWaalsContact C-N 3.29Å; K175-L178 HydrophobicContact CB-CB 4.47Å; K175-L178 WeakPolarHBondContact O-CB 3.26Å; K175-L178 PolarHBondContact O-N 3.21Å; K175-A179 PolarHBondContact O-N 2.9Å
176L93.2Very high92.8Very high13 Ų1334 Ų347%0.06819%0.192CC..Hα-helixtrans-52-39.1175.7-178.363.3000113.5I171 L178 A179 E180 L193 L197 H235I171-L176 HydrophobicContact CG1-CD1 4.21Å; L176-L178 PolarHBondContact O-N 3.34Å; L176-A179 HydrophobicContact CD1-CB 4.41Å; L176-A179 CarbonylContact O-C 3.57Å; L176-A179 WeakPolarHBondContact O-CA 3.41Å; L176-A179 WeakPolarHBondContact O-CB 3.43Å; L176-A179 PolarHBondContact O-N 3.04Å; L176-E180 WeakPolarHBondContact O-CG 3.38Å; L176-E180 PolarHBondContact O-N 3.13Å; L176-L193 HydrophobicContact CD1-CD1 4.5Å; L176-L197 HydrophobicContact CD1-CD1 3.94Å; L176-H235 HydrophobicContact CD2-CB 3.86Å
177P95.3Very high93Very high86 Ų8644.2 Ų44.256%0.55823%0.231SC*.Hα-helixtrans-59.8-30.8176.8-26.736.3000114.4K175 S181K175-P177 VanDerWaalsContact C-N 3.29Å; P177-S181 PolarHBondContact O-N 3.14Å; P177-S181 VanDerWaalsContact O-N 3.14Å; P177-S181 PolarHBondContact O-OG 2.69Å
178L95.2Very high93.1Very high35 Ų3549.9 Ų49.918%0.18326%0.257CS..Hα-helixtrans-75.4-38.4175.1-176.259.7000111K146 V149 L170 K175 L176 E180 S181 F182K146-L178 HydrophobicContact CB-CD2 4.23Å; K146-L178 HydrophobicContact CG-CD2 3.6Å; V149-L178 HydrophobicContact CB-CD2 4.5Å; V149-L178 HydrophobicContact CG1-CD1 4.03Å; V149-L178 HydrophobicContact CG1-CD2 4.31Å; V149-L178 HydrophobicContact CG1-CG 3.8Å; L170-L178 HydrophobicContact CD1-CB 4.41Å; L170-L178 HydrophobicContact CD1-CD2 3.94Å; L170-L178 HydrophobicContact CD1-CG 4.04Å; L170-L178 HydrophobicContact CD2-CD2 4.14Å; K175-L178 HydrophobicContact CB-CB 4.47Å; K175-L178 WeakPolarHBondContact O-CB 3.26Å; K175-L178 PolarHBondContact O-N 3.21Å; L176-L178 PolarHBondContact O-N 3.34Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-E180 PolarHBondContact O-N 3.05Å; L178-S181 WeakPolarHBondContact O-CB 3.22Å; L178-S181 PolarHBondContact O-N 3.34Å; L178-S181 VanDerWaalsContact O-N 3.13Å; L178-F182 PolarHBondContact O-N 2.92Å
179A95.8Very high93.4Very high0 Ų049.4 Ų49.40%026%0.255CS..Hα-helixtrans-62-39.1172.200000112.1L167 I171 K175 L176 S181 F182 V183L167-A179 HydrophobicContact CB-CB 4.38Å; L167-A179 HydrophobicContact CD1-CB 4.22Å; L167-A179 HydrophobicContact CD2-CB 3.82Å; L167-A179 HydrophobicContact CG-CB 4.36Å; I171-A179 HydrophobicContact CG1-CB 4.32Å; K175-A179 PolarHBondContact O-N 2.9Å; L176-A179 HydrophobicContact CD1-CB 4.41Å; L176-A179 CarbonylContact O-C 3.57Å; L176-A179 WeakPolarHBondContact O-CA 3.41Å; L176-A179 WeakPolarHBondContact O-CB 3.43Å; L176-A179 PolarHBondContact O-N 3.04Å; A179-S181 VanDerWaalsContact C-N 3.31Å; A179-S181 PolarHBondContact O-N 3.38Å; A179-F182 WeakPolarHBondContact O-CB 3.49Å; A179-F182 PolarHBondContact O-N 2.88Å; A179-V183 PolarHBondContact O-N 3.47Å
180E96.6Very high93.7Very high17 Ų1750.4 Ų50.48%0.07926%0.259CS..Hα-helixtrans-60.8-40.4171.3-72.7178.5-126.700112.4L176 L178 F182 V183 K184 L193 R238 L239 K242L176-E180 WeakPolarHBondContact O-CG 3.38Å; L176-E180 PolarHBondContact O-N 3.13Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-E180 PolarHBondContact O-N 3.05Å; E180-F182 VanDerWaalsContact C-N 3.28Å; E180-F182 PolarHBondContact O-N 2.92Å; E180-V183 WeakPolarHBondContact O-CG2 3.5Å; E180-V183 PolarHBondContact O-N 3.26Å; E180-K184 WeakPolarHBondContact O-CB 3.37Å; E180-K184 PolarHBondContact O-N 3.5Å; E180-K184 VanDerWaalsContact O-N 3.1Å; E180-L193 HydrophobicContact CG-CD2 4.48Å; E180-R238 VanDerWaalsContact CD-NH2 3.27Å; E180-R238 IonicContact OE1-CZ 2.75Å; E180-R238 IonicContact OE1-NH1 2.93Å; E180-R238 PolarHBondContact OE1-NH1 3.29Å; E180-R238 VanDerWaalsContact OE1-NH1 3.16Å; E180-R238 IonicContact OE1-NH2 2.9Å; E180-R238 PolarHBondContact OE1-NH2 2.96Å; E180-R238 IonicContact OE2-CZ 3.29Å; E180-R238 IonicContact OE2-NH1 3.58Å; E180-R238 PolarHBondContact OE2-NH1 2.91Å; E180-R238 IonicContact OE2-NH2 2.78Å; E180-L239 HydrophobicContact CG-CD2 3.76Å; E180-K242 IonicContact OE2-NZ 3.67Å; E180-K242 PolarHBondContact OE2-NZ 2.8Å
181S96.6Very high94.1Very high60 Ų6053.1 Ų53.142%0.4227%0.271SS..Hα-helixtrans-66.9-32.9179.2-58.50000111.8P177 L178 A179P177-S181 PolarHBondContact O-N 3.14Å; P177-S181 VanDerWaalsContact O-N 3.14Å; P177-S181 PolarHBondContact O-OG 2.69Å; L178-S181 WeakPolarHBondContact O-CB 3.22Å; L178-S181 PolarHBondContact O-N 3.34Å; L178-S181 VanDerWaalsContact O-N 3.13Å; A179-S181 VanDerWaalsContact C-N 3.31Å; A179-S181 PolarHBondContact O-N 3.38Å
182F97.3Very high94.3Very high0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-64.3-44.8176178.6-96000112.4V149 S152 I153 Q158 L161 L167 L178 A179 E180 L189V149-F182 HydrophobicContact CG1-CB 3.82Å; V149-F182 HydrophobicContact CG1-CD2 3.91Å; V149-F182 HydrophobicContact CG1-CG 4.23Å; V149-F182 HydrophobicContact CG2-CD2 4.34Å; S152-F182 WeakPolarHBondContact OG-CE2 3.43Å; I153-F182 HydrophobicContact CD1-CB 4.2Å; I153-F182 HydrophobicContact CG1-CB 4.42Å; I153-F182 HydrophobicContact CG1-CD2 4.23Å; Q158-F182 HydrophobicContact CB-CD2 4.21Å; Q158-F182 HydrophobicContact CB-CE1 4.2Å; Q158-F182 HydrophobicContact CB-CE2 3.74Å; Q158-F182 HydrophobicContact CB-CZ 3.73Å; Q158-F182 HydrophobicContact CG-CD2 3.63Å; Q158-F182 HydrophobicContact CG-CE2 3.54Å; Q158-F182 HydrophobicContact CG-CG 4.25Å; Q158-F182 HydrophobicContact CG-CZ 4.07Å; Q158-F182 WeakPolarHBondContact CG-O 3.41Å; L161-F182 HydrophobicContact CB-CZ 4.43Å; L161-F182 HydrophobicContact CD1-CE2 4.2Å; L161-F182 HydrophobicContact CD1-CZ 4.49Å; L167-F182 HydrophobicContact CD1-CD1 4.02Å; L167-F182 HydrophobicContact CD2-CB 3.96Å; L167-F182 HydrophobicContact CD2-CD1 3.69Å; L167-F182 HydrophobicContact CD2-CE1 4.37Å; L167-F182 HydrophobicContact CD2-CG 3.88Å; L167-F182 HydrophobicContact CG-CD1 4.13Å; L178-F182 PolarHBondContact O-N 2.92Å; A179-F182 WeakPolarHBondContact O-CB 3.49Å; A179-F182 PolarHBondContact O-N 2.88Å; E180-F182 VanDerWaalsContact C-N 3.28Å; E180-F182 PolarHBondContact O-N 2.92Å; F182-L189 HydrophobicContact CE1-CD1 4.13Å
183V96.9Very high94.8Very high0 Ų055.9 Ų55.90%028%0.283CS..Hα-helixtrans-82.7-21.1-176.3-56.10000113.8L167 A179 E180 G185 H186 L189 E190 L193 F243L167-V183 HydrophobicContact CD1-CG1 3.72Å; A179-V183 PolarHBondContact O-N 3.47Å; E180-V183 WeakPolarHBondContact O-CG2 3.5Å; E180-V183 PolarHBondContact O-N 3.26Å; V183-G185 PolarHBondContact O-N 2.68Å; V183-H186 WeakPolarHBondContact O-CB 3.41Å; V183-H186 PolarHBondContact O-N 3.01Å; V183-L189 HydrophobicContact CB-CB 3.82Å; V183-L189 HydrophobicContact CG1-CB 3.81Å; V183-E190 HydrophobicContact CB-CG 4.2Å; V183-E190 HydrophobicContact CG2-CG 4.03Å; V183-E190 WeakPolarHBondContact O-CG 3.49Å; V183-L193 HydrophobicContact CG1-CB 4.03Å; V183-L193 HydrophobicContact CG1-CD2 4.17Å; V183-L193 HydrophobicContact CG2-CB 4.43Å; V183-L193 HydrophobicContact CG2-CD2 3.65Å; V183-F243 HydrophobicContact CG2-CE2 4.16Å; V183-F243 HydrophobicContact CG2-CZ 3.98Å
184K95.8Very high95.3Very high148 Ų14854.2 Ų54.264%0.64328%0.276SS*.THydrogen-bonded Turntrans-52.7125.9-173-176.3179.5179.4-176.90111.9E180 H186E180-K184 WeakPolarHBondContact O-CB 3.37Å; E180-K184 PolarHBondContact O-N 3.5Å; E180-K184 VanDerWaalsContact O-N 3.1Å; K184-H186 VanDerWaalsContact C-N 3.34Å
185G93.6Very high95.8Very high65 Ų6553.8 Ų53.867%0.6727%0.272SS*.THydrogen-bonded Turntrans89.5-4.5179.300000114.2V183 E190V183-G185 PolarHBondContact O-N 2.68Å; G185-E190 PolarHBondContact N-OE1 3.11Å
186H95.4Very high96Very high57 Ų5751.3 Ų51.326%0.26426%0.262SS..  trans-116.492.9177.5-59-86.8000110.3Q158 V183 K184 Q188 L189 E190Q158-H186 PolarHBondContact NE2-NE2 3.11Å; V183-H186 WeakPolarHBondContact O-CB 3.41Å; V183-H186 PolarHBondContact O-N 3.01Å; K184-H186 VanDerWaalsContact C-N 3.34Å; H186-Q188 PolarHBondContact O-N 2.67Å; H186-L189 HydrophobicContact CB-CB 3.97Å; H186-L189 HydrophobicContact CB-CD1 3.8Å; H186-L189 HydrophobicContact CB-CG 3.98Å; H186-L189 PolarHBondContact O-N 3.43Å; H186-E190 PolarHBondContact O-N 3.36Å
187R95Very high96Very high217 Ų21750.7 Ų50.782%0.81926%0.258SS*.Hα-helixtrans-48.3-40.4-173.6-77.4-170.2172.5173.7-0.6114.9K191R187-K191 WeakPolarHBondContact O-CB 3.45Å; R187-K191 PolarHBondContact O-N 2.92Å
188Q95.5Very high96.1Very high118 Ų11846.8 Ų46.855%0.55123%0.233SC*.Hα-helixtrans-67.9-41.9179.5-176.359.622.700111.9H186 Q192H186-Q188 PolarHBondContact O-N 2.67Å; Q188-Q192 WeakPolarHBondContact O-CB 3.42Å; Q188-Q192 VanDerWaalsContact O-CG 3.23Å; Q188-Q192 WeakPolarHBondContact O-CG 3.39Å; Q188-Q192 PolarHBondContact O-N 3.11Å
189L96.8Very high96Very high13 Ų1347.5 Ų47.57%0.06824%0.241CC..Hα-helixtrans-70.2-38.7177.4-64.3-178.9000111.4Q158 M163 F182 V183 H186 K191 Q192 L193Q158-L189 HydrophobicContact CB-CD1 3.82Å; M163-L189 HydrophobicContact CB-CD2 4.19Å; M163-L189 HydrophobicContact CG-CD2 4.36Å; F182-L189 HydrophobicContact CE1-CD1 4.13Å; V183-L189 HydrophobicContact CB-CB 3.82Å; V183-L189 HydrophobicContact CG1-CB 3.81Å; H186-L189 HydrophobicContact CB-CB 3.97Å; H186-L189 HydrophobicContact CB-CD1 3.8Å; H186-L189 HydrophobicContact CB-CG 3.98Å; H186-L189 PolarHBondContact O-N 3.43Å; L189-K191 VanDerWaalsContact C-N 3.34Å; L189-K191 PolarHBondContact O-N 3.1Å; L189-Q192 PolarHBondContact O-N 3.04Å; L189-L193 PolarHBondContact O-N 2.89Å
190E97.3Very high95.8Very high24 Ų2448 Ų4811%0.11224%0.243CC..Hα-helixtrans-57.7-49.1174.8-70171.8163.200110.4V183 G185 H186 L193 V194 F243V183-E190 HydrophobicContact CB-CG 4.2Å; V183-E190 HydrophobicContact CG2-CG 4.03Å; V183-E190 WeakPolarHBondContact O-CG 3.49Å; G185-E190 PolarHBondContact N-OE1 3.11Å; H186-E190 PolarHBondContact O-N 3.36Å; E190-L193 PolarHBondContact O-N 3.48Å; E190-V194 WeakPolarHBondContact O-CG2 3.34Å; E190-V194 PolarHBondContact O-N 3.5Å; E190-F243 HydrophobicContact CB-CB 4.23Å; E190-F243 HydrophobicContact CB-CD1 4.31Å; E190-F243 HydrophobicContact CB-CD2 3.94Å; E190-F243 HydrophobicContact CB-CE2 4.32Å; E190-F243 HydrophobicContact CB-CG 3.94Å; E190-F243 HydrophobicContact CG-CD1 3.89Å; E190-F243 HydrophobicContact CG-CD2 4.24Å; E190-F243 HydrophobicContact CG-CE1 3.97Å; E190-F243 HydrophobicContact CG-CE2 4.29Å; E190-F243 HydrophobicContact CG-CG 4.05Å; E190-F243 HydrophobicContact CG-CZ 4.17Å
191K96.9Very high95.6Very high57 Ų5747.3 Ų47.325%0.24824%0.239CC..Hα-helixtrans-59.7-47.5174.8-178.3179.1176-179.40112.1R187 L189 L193 V194 M195 F249R187-K191 WeakPolarHBondContact O-CB 3.45Å; R187-K191 PolarHBondContact O-N 2.92Å; L189-K191 VanDerWaalsContact C-N 3.34Å; L189-K191 PolarHBondContact O-N 3.1Å; K191-L193 PolarHBondContact O-N 3.43Å; K191-V194 PolarHBondContact O-N 2.88Å; K191-M195 HydrophobicContact CD-SD 4.34Å; K191-M195 HydrophobicContact CG-CG 4.41Å; K191-M195 HydrophobicContact CG-SD 3.83Å; K191-M195 WeakPolarHBondContact O-CG 3.38Å; K191-M195 PolarHBondContact O-N 3.4Å; K191-F249 VanDerWaalsContact CE-CZ 3.5Å
192Q96.6Very high95.1Very high70 Ų7047.9 Ų47.933%0.32723%0.233SC..Hα-helixtrans-62.7-39.5-179.4-77.3176.4-23.500112.7M163 Q188 L189 M195 L196M163-Q192 HydrophobicContact CE-CB 3.62Å; Q188-Q192 WeakPolarHBondContact O-CB 3.42Å; Q188-Q192 VanDerWaalsContact O-CG 3.23Å; Q188-Q192 WeakPolarHBondContact O-CG 3.39Å; Q188-Q192 PolarHBondContact O-N 3.11Å; L189-Q192 PolarHBondContact O-N 3.04Å; Q192-M195 PolarHBondContact O-N 2.94Å; Q192-L196 VanDerWaalsContact O-CB 3.28Å; Q192-L196 WeakPolarHBondContact O-CB 3.38Å; Q192-L196 PolarHBondContact O-N 3.17Å
193L97.1Very high94Very high0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-62-44.8175.8172.662.3000111.5L167 I171 L176 E180 V183 L189 E190 K191 L196 L197 L239L167-L193 HydrophobicContact CD1-CD1 3.98Å; I171-L193 HydrophobicContact CD1-CD1 4.01Å; L176-L193 HydrophobicContact CD1-CD1 4.5Å; E180-L193 HydrophobicContact CG-CD2 4.48Å; V183-L193 HydrophobicContact CG1-CB 4.03Å; V183-L193 HydrophobicContact CG1-CD2 4.17Å; V183-L193 HydrophobicContact CG2-CB 4.43Å; V183-L193 HydrophobicContact CG2-CD2 3.65Å; L189-L193 PolarHBondContact O-N 2.89Å; E190-L193 PolarHBondContact O-N 3.48Å; K191-L193 PolarHBondContact O-N 3.43Å; L193-L196 PolarHBondContact O-N 3.01Å; L193-L197 HydrophobicContact CD1-CD1 4.18Å; L193-L197 HydrophobicContact CD1-CG 4.3Å; L193-L197 HydrophobicContact CG-CD1 4.34Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.39Å; L193-L239 HydrophobicContact CD2-CD1 4.33Å
194V97.1Very high93.3Very high0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-67.1-43.1-179.7178.60000111.2E190 K191 L196 L197 D198 V236 L239 F243 I245 C250E190-V194 WeakPolarHBondContact O-CG2 3.34Å; E190-V194 PolarHBondContact O-N 3.5Å; K191-V194 PolarHBondContact O-N 2.88Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 2.83Å; V194-L197 PolarHBondContact O-N 2.94Å; V194-D198 WeakPolarHBondContact O-CB 3.48Å; V194-D198 PolarHBondContact O-N 3.16Å; V194-V236 HydrophobicContact CG1-CG1 4.04Å; V194-L239 HydrophobicContact CG2-CB 3.58Å; V194-L239 HydrophobicContact CG2-CD1 4.37Å; V194-F243 HydrophobicContact CG2-CD2 4.14Å; V194-I245 HydrophobicContact CB-CD1 3.79Å; V194-I245 HydrophobicContact CG1-CD1 4.34Å; V194-I245 HydrophobicContact CG2-CD1 3.44Å; V194-I245 VanDerWaalsContact CG2-CD1 3.44Å; V194-C250 WeakPolarHBondContact CG1-SG 3.48Å
195M96.3Very high92.8Very high81 Ų8152.9 Ų52.940%0.39927%0.27SS..Hα-helixtrans-62.4-37.9174.8-70.317765.600112.5K191 Q192 D198 S199 F249K191-M195 HydrophobicContact CD-SD 4.34Å; K191-M195 HydrophobicContact CG-CG 4.41Å; K191-M195 HydrophobicContact CG-SD 3.83Å; K191-M195 WeakPolarHBondContact O-CG 3.38Å; K191-M195 PolarHBondContact O-N 3.4Å; Q192-M195 PolarHBondContact O-N 2.94Å; M195-D198 PolarHBondContact O-N 2.87Å; M195-S199 PolarHBondContact O-N 3.21Å; M195-F249 HydrophobicContact CG-CB 4.07Å; M195-F249 HydrophobicContact SD-CB 4.42Å; M195-F249 HydrophobicContact SD-CD1 4.11Å
196L95Very high92.4Very high16 Ų1653.3 Ų53.38%0.08426%0.257CS..Hα-helixtrans-61.5-47.6175176.166.3000111M163 E164 I168 I171 Q192 L193 V194 S199 W200M163-L196 HydrophobicContact CE-CB 4.32Å; M163-L196 HydrophobicContact CE-CD2 4.12Å; M163-L196 HydrophobicContact SD-CD2 3.99Å; E164-L196 HydrophobicContact CG-CD1 4.49Å; I168-L196 HydrophobicContact CD1-CD1 4.3Å; I168-L196 HydrophobicContact CG1-CD1 4.42Å; I168-L196 HydrophobicContact CG1-CD2 3.92Å; I171-L196 HydrophobicContact CD1-CD2 4.24Å; Q192-L196 VanDerWaalsContact O-CB 3.28Å; Q192-L196 WeakPolarHBondContact O-CB 3.38Å; Q192-L196 PolarHBondContact O-N 3.17Å; L193-L196 PolarHBondContact O-N 3.01Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 2.83Å; L196-S199 WeakPolarHBondContact O-CB 3.3Å; L196-S199 PolarHBondContact O-N 3.03Å; L196-S199 PolarHBondContact O-OG 3.25Å; L196-W200 HydrophobicContact CD1-CZ2 3.89Å; L196-W200 HydrophobicContact CD2-CZ2 4.36Å; L196-W200 HydrophobicContact CG-CZ2 3.98Å; L196-W200 PolarHBondContact O-NE1 2.87Å
197L94.8Very high91.8Very high0 Ų051.5 Ų51.50%025%0.25CS..Hα-helixtrans-67.5-36.1178.4-67.9172.9000112.4I171 L176 L193 V194 S199 W200 C201 L232 V236 L239I171-L197 HydrophobicContact CD1-CD2 4.02Å; I171-L197 HydrophobicContact CG2-CD2 4.08Å; L176-L197 HydrophobicContact CD1-CD1 3.94Å; L193-L197 HydrophobicContact CD1-CD1 4.18Å; L193-L197 HydrophobicContact CD1-CG 4.3Å; L193-L197 HydrophobicContact CG-CD1 4.34Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.39Å; V194-L197 PolarHBondContact O-N 2.94Å; L197-S199 VanDerWaalsContact C-N 3.29Å; L197-S199 PolarHBondContact O-N 2.85Å; L197-W200 HydrophobicContact CD2-CE3 4.28Å; L197-W200 HydrophobicContact CD2-CZ3 4.26Å; L197-W200 PolarHBondContact O-N 3.48Å; L197-W200 VanDerWaalsContact O-N 3.16Å; L197-C201 PolarHBondContact O-SG 3.49Å; L197-C201 VanDerWaalsContact O-SG 3.37Å; L197-L232 HydrophobicContact CD2-CD2 4.06Å; L197-V236 HydrophobicContact CB-CG2 3.59Å; L197-L239 HydrophobicContact CD1-CD1 3.66Å
198D95.9Very high91.2Very high5 Ų544.1 Ų44.13%0.02723%0.225CC..Hα-helixtrans-62.1-39.2174.3-175.576.2000111.5V194 M195 W200 C201 V236 C250 P251 N252 A253V194-D198 WeakPolarHBondContact O-CB 3.48Å; V194-D198 PolarHBondContact O-N 3.16Å; M195-D198 PolarHBondContact O-N 2.87Å; D198-W200 PolarHBondContact O-N 3.24Å; D198-C201 WeakPolarHBondContact O-CB 3.28Å; D198-C201 PolarHBondContact O-N 2.73Å; D198-V236 HydrophobicContact CB-CG1 4.36Å; D198-V236 HydrophobicContact CB-CG2 4.44Å; D198-C250 HydrophobicContact CB-CB 4.38Å; D198-C250 VanDerWaalsContact CG-CA 3.41Å; D198-C250 VanDerWaalsContact OD1-CA 3.3Å; D198-C250 WeakPolarHBondContact OD1-CA 3.5Å; D198-P251 WeakPolarHBondContact OD2-CD 3.4Å; D198-N252 VanDerWaalsContact O-CB 3.31Å; D198-N252 WeakPolarHBondContact O-CB 3.48Å; D198-N252 PolarHBondContact O-ND2 2.87Å; D198-N252 PolarHBondContact OD1-N 3.16Å; D198-N252 WeakPolarHBondContact OD2-CB 3.28Å; D198-N252 PolarHBondContact OD2-N 3.06Å; D198-N252 PolarHBondContact OD2-ND2 3.27Å; D198-A253 WeakPolarHBondContact OD1-CB 3.4Å; D198-A253 PolarHBondContact OD1-N 2.65Å
199S93.2Very high90.6Very high49 Ų4943.3 Ų43.334%0.34322%0.221SC..THydrogen-bonded Turntrans-60.4-11.4176.680.90000113.8M195 L196 L197 Y202M195-S199 PolarHBondContact O-N 3.21Å; L196-S199 WeakPolarHBondContact O-CB 3.3Å; L196-S199 PolarHBondContact O-N 3.03Å; L196-S199 PolarHBondContact O-OG 3.25Å; L197-S199 VanDerWaalsContact C-N 3.29Å; L197-S199 PolarHBondContact O-N 2.85Å; S199-Y202 WeakPolarHBondContact O-CD1 3.35Å; S199-Y202 WeakPolarHBondContact O-CE1 3.47Å
200W92.5Very high89.9Confident12 Ų1243.4 Ų43.45%0.04522%0.222CC..THydrogen-bonded Turntrans-104.17.7176.9-54.8-7.7000112.9I168 I171 L196 L197 D198 F205 I210 I227 L232I168-W200 HydrophobicContact CD1-CZ2 4.45Å; I168-W200 HydrophobicContact CG1-CH2 4.31Å; I168-W200 HydrophobicContact CG1-CZ2 4.03Å; I168-W200 HydrophobicContact CG2-CH2 4.39Å; I171-W200 HydrophobicContact CB-CH2 4.28Å; I171-W200 HydrophobicContact CB-CZ3 4.21Å; I171-W200 HydrophobicContact CD1-CH2 4.16Å; I171-W200 HydrophobicContact CD1-CZ3 4.49Å; I171-W200 HydrophobicContact CG2-CH2 4.12Å; I171-W200 HydrophobicContact CG2-CZ3 3.55Å; L196-W200 HydrophobicContact CD1-CZ2 3.89Å; L196-W200 HydrophobicContact CD2-CZ2 4.36Å; L196-W200 HydrophobicContact CG-CZ2 3.98Å; L196-W200 PolarHBondContact O-NE1 2.87Å; L197-W200 HydrophobicContact CD2-CE3 4.28Å; L197-W200 HydrophobicContact CD2-CZ3 4.26Å; L197-W200 PolarHBondContact O-N 3.48Å; L197-W200 VanDerWaalsContact O-N 3.16Å; D198-W200 PolarHBondContact O-N 3.24Å; W200-F205 HydrophobicContact CB-CD1 4.29Å; W200-F205 HydrophobicContact CB-CD2 3.9Å; W200-F205 HydrophobicContact CB-CE1 4.02Å; W200-F205 HydrophobicContact CB-CE2 3.6Å; W200-F205 HydrophobicContact CB-CG 4.22Å; W200-F205 HydrophobicContact CB-CZ 3.65Å; W200-F205 AromaticContact CD1-CE2 3.71Å; W200-F205 HydrophobicContact CD2-CE2 4.35Å; W200-F205 HydrophobicContact CD2-CZ 4.13Å; W200-F205 HydrophobicContact CE3-CZ 4.47Å; W200-F205 HydrophobicContact CG-CD2 4.3Å; W200-F205 AromaticContact CG-CE2 3.6Å; W200-F205 HydrophobicContact CG-CE2 3.6Å; W200-F205 AromaticContact CG-CZ 3.73Å; W200-F205 HydrophobicContact CG-CZ 3.73Å; W200-F205 WeakPolarHBondContact O-CD1 3.29Å; W200-F205 VanDerWaalsContact O-CG 3.26Å; W200-F205 WeakPolarHBondContact O-CG 3.3Å; W200-I210 HydrophobicContact CD2-CD1 3.61Å; W200-I210 HydrophobicContact CE3-CD1 4.2Å; W200-I210 HydrophobicContact CG-CD1 4Å; W200-I210 HydrophobicContact CH2-CD1 4.1Å; W200-I210 HydrophobicContact CZ2-CD1 3.51Å; W200-I210 HydrophobicContact CZ3-CD1 4.4Å; W200-I210 VanDerWaalsContact NE1-CD1 3.33Å; W200-I227 HydrophobicContact CE3-CG2 4.37Å; W200-L232 HydrophobicContact CB-CD1 3.61Å; W200-L232 HydrophobicContact CE3-CD1 4.4Å; W200-L232 HydrophobicContact CE3-CD2 4.11Å; W200-L232 WeakPolarHBondContact O-CD1 3.33Å
201C91.7Very high88.9Confident1 Ų147.8 Ų47.81%0.00724%0.237CC..  trans-96.4-2.7-178-66.40000114.2L197 D198 N252 A253L197-C201 PolarHBondContact O-SG 3.49Å; L197-C201 VanDerWaalsContact O-SG 3.37Å; D198-C201 WeakPolarHBondContact O-CB 3.28Å; D198-C201 PolarHBondContact O-N 2.73Å; C201-N252 HydrophobicContact CB-CB 3.89Å; C201-A253 HydrophobicContact CB-CB 4.21Å
202Y85.8Confident88.1Confident72 Ų7252.8 Ų52.828%0.28226%0.259SS..SBendtrans-69.5153.9179.267.6-87.2000112.1S199 D204 F205S199-Y202 WeakPolarHBondContact O-CD1 3.35Å; S199-Y202 WeakPolarHBondContact O-CE1 3.47Å; Y202-D204 VanDerWaalsContact C-N 3.34Å; Y202-D204 HydrophobicContact CD2-CB 4.15Å; Y202-D204 HydrophobicContact CE2-CB 4.1Å; Y202-D204 WeakPolarHBondContact CE2-O 3.36Å; Y202-D204 PolarHBondContact O-N 3.28Å; Y202-F205 HydrophobicContact CD1-CB 4.09Å; Y202-F205 HydrophobicContact CD1-CD2 4.44Å; Y202-F205 HydrophobicContact CD2-CB 4.24Å; Y202-F205 HydrophobicContact CE1-CB 3.89Å; Y202-F205 AromaticContact CE1-CD2 3.66Å; Y202-F205 HydrophobicContact CE1-CD2 3.66Å; Y202-F205 HydrophobicContact CE1-CG 4.26Å; Y202-F205 VanDerWaalsContact CE2-CA 3.42Å; Y202-F205 HydrophobicContact CE2-CB 4.06Å; Y202-F205 HydrophobicContact CG-CB 4.24Å; Y202-F205 VanDerWaalsContact CZ-CA 3.48Å; Y202-F205 AromaticContact CZ-CD2 3.89Å; Y202-F205 VanDerWaalsContact O-CB 3.24Å; Y202-F205 WeakPolarHBondContact O-CB 3.41Å; Y202-F205 PolarHBondContact O-N 3.21Å; Y202-F205 VanDerWaalsContact O-N 3.16Å
203P75.9Confident87Confident87 Ų8757.9 Ų57.957%0.56528%0.28SS*.THydrogen-bonded Turntrans-58.1-39.2-171.5-27.236000114.9F205P203-F205 VanDerWaalsContact C-N 3.27Å; P203-F205 PolarHBondContact O-N 2.98Å
204D81Confident85.6Confident140 Ų14059 Ų5975%0.74929%0.288SS*.THydrogen-bonded Turntrans-91.317.7-177.3-56.5-47000113.1Y202 N206Y202-D204 VanDerWaalsContact C-N 3.34Å; Y202-D204 HydrophobicContact CD2-CB 4.15Å; Y202-D204 HydrophobicContact CE2-CB 4.1Å; Y202-D204 WeakPolarHBondContact CE2-O 3.36Å; Y202-D204 PolarHBondContact O-N 3.28Å; D204-N206 PolarHBondContact O-N 3.37Å
205F86Confident84.1Confident26 Ų2664.2 Ų64.211%0.11432%0.322CS..  trans-61.8125.5-178.3173.4-105.2000111.6W200 Y202 P203 V207 I210 I227 P229 L232W200-F205 HydrophobicContact CB-CD1 4.29Å; W200-F205 HydrophobicContact CB-CD2 3.9Å; W200-F205 HydrophobicContact CB-CE1 4.02Å; W200-F205 HydrophobicContact CB-CE2 3.6Å; W200-F205 HydrophobicContact CB-CG 4.22Å; W200-F205 HydrophobicContact CB-CZ 3.65Å; W200-F205 AromaticContact CD1-CE2 3.71Å; W200-F205 HydrophobicContact CD2-CE2 4.35Å; W200-F205 HydrophobicContact CD2-CZ 4.13Å; W200-F205 HydrophobicContact CE3-CZ 4.47Å; W200-F205 HydrophobicContact CG-CD2 4.3Å; W200-F205 AromaticContact CG-CE2 3.6Å; W200-F205 HydrophobicContact CG-CE2 3.6Å; W200-F205 AromaticContact CG-CZ 3.73Å; W200-F205 HydrophobicContact CG-CZ 3.73Å; W200-F205 WeakPolarHBondContact O-CD1 3.29Å; W200-F205 VanDerWaalsContact O-CG 3.26Å; W200-F205 WeakPolarHBondContact O-CG 3.3Å; Y202-F205 HydrophobicContact CD1-CB 4.09Å; Y202-F205 HydrophobicContact CD1-CD2 4.44Å; Y202-F205 HydrophobicContact CD2-CB 4.24Å; Y202-F205 HydrophobicContact CE1-CB 3.89Å; Y202-F205 AromaticContact CE1-CD2 3.66Å; Y202-F205 HydrophobicContact CE1-CD2 3.66Å; Y202-F205 HydrophobicContact CE1-CG 4.26Å; Y202-F205 VanDerWaalsContact CE2-CA 3.42Å; Y202-F205 HydrophobicContact CE2-CB 4.06Å; Y202-F205 HydrophobicContact CG-CB 4.24Å; Y202-F205 VanDerWaalsContact CZ-CA 3.48Å; Y202-F205 AromaticContact CZ-CD2 3.89Å; Y202-F205 VanDerWaalsContact O-CB 3.24Å; Y202-F205 WeakPolarHBondContact O-CB 3.41Å; Y202-F205 PolarHBondContact O-N 3.21Å; Y202-F205 VanDerWaalsContact O-N 3.16Å; P203-F205 VanDerWaalsContact C-N 3.27Å; P203-F205 PolarHBondContact O-N 2.98Å; F205-V207 HydrophobicContact CE1-CB 4.08Å; F205-V207 HydrophobicContact CZ-CB 4.24Å; F205-I210 HydrophobicContact CE2-CD1 3.6Å; F205-I210 HydrophobicContact CE2-CG1 4.11Å; F205-I210 HydrophobicContact CZ-CD1 3.56Å; F205-I210 HydrophobicContact CZ-CG1 4.27Å; F205-I227 HydrophobicContact CE1-CG2 3.96Å; F205-I227 HydrophobicContact CZ-CG2 4.44Å; F205-P229 HydrophobicContact CB-CG 4.45Å; F205-P229 HydrophobicContact CD1-CG 4.4Å; F205-L232 HydrophobicContact CE1-CD1 4.27Å
206N83.8Confident82.5Confident75 Ų7564.6 Ų64.640%0.40133%0.331SS..  trans-122.9110.1177.2-171.4-10.1000110.9D204 E208 E209D204-N206 PolarHBondContact O-N 3.37Å; N206-E208 PolarHBondContact O-N 3.38Å; N206-E208 VanDerWaalsContact O-N 3.1Å; N206-E208 VanDerWaalsContact OD1-CB 3.24Å; N206-E208 WeakPolarHBondContact OD1-CB 3.41Å; N206-E208 WeakPolarHBondContact OD1-CG 3.37Å; N206-E208 PolarHBondContact OD1-N 2.87Å; N206-E209 HydrophobicContact CB-CG 4.19Å; N206-E209 WeakPolarHBondContact O-CB 3.44Å; N206-E209 PolarHBondContact O-N 2.92Å
207V83.8Confident81.3Confident19 Ų1964.5 Ų64.512%0.11533%0.331CS..Hα-helixtrans-56.6-25.9177.364.90000113.3L172 F205 E209 I210 R211 V224 I227L172-V207 HydrophobicContact CD2-CG2 3.99Å; F205-V207 HydrophobicContact CE1-CB 4.08Å; F205-V207 HydrophobicContact CZ-CB 4.24Å; V207-E209 PolarHBondContact O-N 2.9Å; V207-I210 PolarHBondContact O-N 3.06Å; V207-I210 VanDerWaalsContact O-N 3.15Å; V207-R211 PolarHBondContact O-N 3.47Å; V207-V224 HydrophobicContact CG1-CG1 3.42Å; V207-V224 VanDerWaalsContact CG1-CG1 3.42Å; V207-V224 HydrophobicContact CG2-CG1 4.49Å; V207-I227 HydrophobicContact CG2-CB 4.3Å; V207-I227 HydrophobicContact CG2-CD1 4.32Å; V207-I227 HydrophobicContact CG2-CG2 4.23Å
208E81.7Confident79.9Confident61 Ų6170.5 Ų70.529%0.28537%0.373SS..Hα-helixtrans-63.1-29.3175.8-67.1-62.8134.600112.7N206 I210 R211 K212N206-E208 PolarHBondContact O-N 3.38Å; N206-E208 VanDerWaalsContact O-N 3.1Å; N206-E208 VanDerWaalsContact OD1-CB 3.24Å; N206-E208 WeakPolarHBondContact OD1-CB 3.41Å; N206-E208 WeakPolarHBondContact OD1-CG 3.37Å; N206-E208 PolarHBondContact OD1-N 2.87Å; E208-I210 VanDerWaalsContact C-N 3.33Å; E208-R211 PolarHBondContact O-N 2.92Å; E208-R211 IonicContact OE1-NE 3.8Å; E208-R211 IonicContact OE2-CZ 2.94Å; E208-R211 IonicContact OE2-NE 2.73Å; E208-R211 PolarHBondContact OE2-NE 3.44Å; E208-R211 IonicContact OE2-NH2 2.87Å; E208-R211 PolarHBondContact OE2-NH2 2.89Å; E208-K212 WeakPolarHBondContact O-CG 3.45Å; E208-K212 PolarHBondContact O-N 2.89Å
209E83.2Confident78.5Confident101 Ų10171.9 Ų71.947%0.47238%0.38SS..Hα-helixtrans-68.1-35.1176-62.4-170149.400112N206 V207N206-E209 HydrophobicContact CB-CG 4.19Å; N206-E209 WeakPolarHBondContact O-CB 3.44Å; N206-E209 PolarHBondContact O-N 2.92Å; V207-E209 PolarHBondContact O-N 2.9Å
210I82.6Confident77.1Confident15 Ų1571.7 Ų71.78%0.07738%0.381CS..Hα-helixtrans-71.2-41.7173-54.7-171.5000110I168 L172 W200 F205 V207 E208 K212 K213 S214I168-I210 HydrophobicContact CG2-CG2 3.57Å; L172-I210 HydrophobicContact CD1-CG2 4.14Å; L172-I210 HydrophobicContact CD2-CG2 4.45Å; W200-I210 HydrophobicContact CD2-CD1 3.61Å; W200-I210 HydrophobicContact CE3-CD1 4.2Å; W200-I210 HydrophobicContact CG-CD1 4Å; W200-I210 HydrophobicContact CH2-CD1 4.1Å; W200-I210 HydrophobicContact CZ2-CD1 3.51Å; W200-I210 HydrophobicContact CZ3-CD1 4.4Å; W200-I210 VanDerWaalsContact NE1-CD1 3.33Å; F205-I210 HydrophobicContact CE2-CD1 3.6Å; F205-I210 HydrophobicContact CE2-CG1 4.11Å; F205-I210 HydrophobicContact CZ-CD1 3.56Å; F205-I210 HydrophobicContact CZ-CG1 4.27Å; V207-I210 PolarHBondContact O-N 3.06Å; V207-I210 VanDerWaalsContact O-N 3.15Å; E208-I210 VanDerWaalsContact C-N 3.33Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 3.26Å; I210-K213 WeakPolarHBondContact O-CA 3.23Å; I210-K213 WeakPolarHBondContact O-CB 3.43Å; I210-K213 PolarHBondContact O-N 2.92Å; I210-S214 PolarHBondContact O-N 3.45Å
211R77.1Confident75.7Confident116 Ų11679.6 Ų79.644%0.43842%0.416SS..Hα-helixtrans-59.1-40.1178.8-168176.970.1103.7-0.9112V207 E208 K213 S214 L219V207-R211 PolarHBondContact O-N 3.47Å; E208-R211 PolarHBondContact O-N 2.92Å; E208-R211 IonicContact OE1-NE 3.8Å; E208-R211 IonicContact OE2-CZ 2.94Å; E208-R211 IonicContact OE2-NE 2.73Å; E208-R211 PolarHBondContact OE2-NE 3.44Å; E208-R211 IonicContact OE2-NH2 2.87Å; E208-R211 PolarHBondContact OE2-NH2 2.89Å; R211-K213 PolarHBondContact O-N 3.45Å; R211-S214 CarbonylContact O-C 3.58Å; R211-S214 WeakPolarHBondContact O-CA 3.23Å; R211-S214 PolarHBondContact O-N 3.49Å; R211-L219 HydrophobicContact CG-CD1 4.29Å
212K78.6Confident74.5Confident162 Ų16284 Ų8470%0.70444%0.436SS*.Hα-helixtrans-57.7-31.1174.3-74.4174-176.1176.60112.9E208 I210 S214E208-K212 WeakPolarHBondContact O-CG 3.45Å; E208-K212 PolarHBondContact O-N 2.89Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 3.26Å; K212-S214 VanDerWaalsContact C-N 3.3Å
213K73.6Confident73.6Confident177 Ų17784 Ų8477%0.7744%0.436SS*.THydrogen-bonded Turntrans-79.7-10176.2-61177.2-176.8177.80113.1I210 R211I210-K213 WeakPolarHBondContact O-CA 3.23Å; I210-K213 WeakPolarHBondContact O-CB 3.43Å; I210-K213 PolarHBondContact O-N 2.92Å; R211-K213 PolarHBondContact O-N 3.45Å
214S69.1Low73.2Confident25 Ų2581.6 Ų81.618%0.17542%0.42CS..  trans-131.761.8179.3-65.70000112.1I210 R211 K212 C216 L217I210-S214 PolarHBondContact O-N 3.45Å; R211-S214 CarbonylContact O-C 3.58Å; R211-S214 WeakPolarHBondContact O-CA 3.23Å; R211-S214 PolarHBondContact O-N 3.49Å; K212-S214 VanDerWaalsContact C-N 3.3Å; S214-C216 VanDerWaalsContact C-N 3.25Å; S214-C216 PolarHBondContact O-N 2.97Å; S214-L217 WeakPolarHBondContact O-CB 3.48Å; S214-L217 PolarHBondContact O-N 3.29Å
215P64Low72.5Confident109 Ų10979 Ų7971%0.70841%0.409SS*.THydrogen-bonded Turntrans-65.6-23.3-170.725.5-34000114.3L217P215-L217 PolarHBondContact O-N 3.49Å
216C63.6Low71.6Confident89 Ų8981.6 Ų81.660%0.60142%0.421SS*.THydrogen-bonded Turntrans-77.5-6.6-179.7-55.10000113.8N143 S214 S218N143-C216 PolarHBondContact ND2-O 3.28Å; N143-C216 PolarHBondContact OD1-O 3.29Å; S214-C216 VanDerWaalsContact C-N 3.25Å; S214-C216 PolarHBondContact O-N 2.97Å; C216-S218 PolarHBondContact O-N 3.24Å
217L70.4Confident71.4Confident14 Ų1478.9 Ų78.97%0.07341%0.407CS..  trans-87107-176.5-155.475.4000110.8Y145 P169 L172 S214 P215 L219Y145-L217 HydrophobicContact CD2-CD1 3.9Å; Y145-L217 HydrophobicContact CE2-CD1 3.34Å; P169-L217 HydrophobicContact CB-CD1 3.88Å; P169-L217 HydrophobicContact CB-CD2 4.27Å; L172-L217 HydrophobicContact CB-CD2 3.83Å; L172-L217 HydrophobicContact CD1-CD2 3.83Å; L172-L217 HydrophobicContact CG-CD2 4.5Å; S214-L217 WeakPolarHBondContact O-CB 3.48Å; S214-L217 PolarHBondContact O-N 3.29Å; P215-L217 PolarHBondContact O-N 3.49Å; L217-L219 HydrophobicContact CD2-CD1 3.88Å; L217-L219 HydrophobicContact CD2-CD2 3.77Å; L217-L219 HydrophobicContact CD2-CG 3.74Å; L217-L219 HydrophobicContact CG-CD2 4.32Å; L217-L219 HydrophobicContact CG-CG 4.06Å; L217-L219 PolarHBondContact O-N 3.27Å; L217-L219 VanDerWaalsContact O-N 3.08Å
218S65.3Low71.1Confident125 Ų12581.7 Ų81.787%0.87442%0.419SS*.  trans-7399.3169.4-173.70000109.6C216C216-S218 PolarHBondContact O-N 3.24Å
219L66.3Low71.1Confident35 Ų3580.3 Ų80.318%0.18342%0.415CS..  trans-99.9122.1177.6-74.3165.2000110L172 Q173 R211 L217L172-L219 HydrophobicContact CB-CD1 4.18Å; L172-L219 HydrophobicContact CB-CD2 3.98Å; L172-L219 HydrophobicContact CD1-CD1 4.23Å; L172-L219 WeakPolarHBondContact O-CD2 3.35Å; Q173-L219 HydrophobicContact CG-CD2 4.3Å; R211-L219 HydrophobicContact CG-CD1 4.29Å; L217-L219 HydrophobicContact CD2-CD1 3.88Å; L217-L219 HydrophobicContact CD2-CD2 3.77Å; L217-L219 HydrophobicContact CD2-CG 3.74Å; L217-L219 HydrophobicContact CG-CD2 4.32Å; L217-L219 HydrophobicContact CG-CG 4.06Å; L217-L219 PolarHBondContact O-N 3.27Å; L217-L219 VanDerWaalsContact O-N 3.08Å
220A64Low71Confident44 Ų4481.3 Ų81.336%0.36442%0.418SS..  trans-66.4143.4165.500000110H222 Y223A220-H222 WeakPolarHBondContact CB-CE1 3.32Å; A220-H222 VanDerWaalsContact CB-ND1 3.28Å; A220-H222 WeakPolarHBondContact CB-ND1 3.48Å; A220-H222 PolarHBondContact O-N 2.95Å; A220-Y223 HydrophobicContact CB-CD2 4.01Å; A220-Y223 HydrophobicContact CB-CE2 4.18Å; A220-Y223 PolarHBondContact O-N 3.38Å; A220-Y223 VanDerWaalsContact O-N 3.07Å
221K62.4Low71.2Confident179 Ų17983.7 Ų83.778%0.77843%0.429SS*.Hα-helixtrans-53.5-29.4-175.2-72-175.4176.9-178.10113.8Y223 V224K221-Y223 VanDerWaalsContact C-N 3.32Å; K221-Y223 PolarHBondContact O-N 2.82Å; K221-V224 PolarHBondContact O-N 3.09Å
222H65.6Low71.8Confident93 Ų9378.5 Ų78.543%0.43141%0.41SS..Hα-helixtrans-71.6-21.1-17873-85.1000114.3A220 T225A220-H222 WeakPolarHBondContact CB-CE1 3.32Å; A220-H222 VanDerWaalsContact CB-ND1 3.28Å; A220-H222 WeakPolarHBondContact CB-ND1 3.48Å; A220-H222 PolarHBondContact O-N 2.95Å; H222-T225 PolarHBondContact O-OG1 3.38Å
223Y68.4Low72.4Confident73 Ų7371.2 Ų71.229%0.28638%0.379SS..Hα-helixtrans-76-34.1175.7-68.6-62.4000111.6L172 Q173 D174 A220 K221 T225 Q226L172-Y223 WeakPolarHBondContact O-CB 3.41Å; Q173-Y223 WeakPolarHBondContact O-CE1 3.48Å; D174-Y223 HydrophobicContact CB-CD1 3.8Å; D174-Y223 HydrophobicContact CB-CE1 3.99Å; A220-Y223 HydrophobicContact CB-CD2 4.01Å; A220-Y223 HydrophobicContact CB-CE2 4.18Å; A220-Y223 PolarHBondContact O-N 3.38Å; A220-Y223 VanDerWaalsContact O-N 3.07Å; K221-Y223 VanDerWaalsContact C-N 3.32Å; K221-Y223 PolarHBondContact O-N 2.82Å; Y223-T225 VanDerWaalsContact C-N 3.31Å; Y223-T225 PolarHBondContact O-N 3.28Å; Y223-Q226 PolarHBondContact O-N 3.39Å
224V66.3Low73.2Confident35 Ų3568.6 Ų68.621%0.21237%0.368CS..Hα-helixtrans-64.9-37.8179.4-175.20000110.9V207 K221 Q226 I227V207-V224 HydrophobicContact CG1-CG1 3.42Å; V207-V224 VanDerWaalsContact CG1-CG1 3.42Å; V207-V224 HydrophobicContact CG2-CG1 4.49Å; K221-V224 PolarHBondContact O-N 3.09Å; V224-Q226 PolarHBondContact O-N 3Å; V224-I227 PolarHBondContact O-N 2.99Å
225T66.1Low74.4Confident85 Ų8570.7 Ų70.752%0.52138%0.375SS..THydrogen-bonded Turntrans-71-15.5179.558.10000113.8H222 Y223 Q228H222-T225 PolarHBondContact O-OG1 3.38Å; Y223-T225 VanDerWaalsContact C-N 3.31Å; Y223-T225 PolarHBondContact O-N 3.28Å; T225-Q228 WeakPolarHBondContact O-CG 3.44Å; T225-Q228 PolarHBondContact O-NE2 3.19Å
226Q68.2Low75.9Confident81 Ų8165.5 Ų65.538%0.37934%0.341SS..THydrogen-bonded Turntrans-84.6-21.7177.7-68177.4-11.100112.8D174 Y223 V224 Q228D174-Q226 PolarHBondContact OD2-OE1 3.28Å; D174-Q226 VanDerWaalsContact OD2-OE1 3.08Å; Y223-Q226 PolarHBondContact O-N 3.39Å; V224-Q226 PolarHBondContact O-N 3Å; Q226-Q228 VanDerWaalsContact C-N 3.28Å; Q226-Q228 PolarHBondContact O-N 3.09Å
227I78.3Confident77.2Confident18 Ų1861.8 Ų61.89%0.09232%0.315CS..  trans-87.375.2178.6-56.8-175.9000108.8L172 W200 F205 V207 V224 L232L172-I227 HydrophobicContact CD2-CD1 3.48Å; L172-I227 VanDerWaalsContact CD2-CD1 3.48Å; L172-I227 HydrophobicContact CG-CD1 4.47Å; W200-I227 HydrophobicContact CE3-CG2 4.37Å; F205-I227 HydrophobicContact CE1-CG2 3.96Å; F205-I227 HydrophobicContact CZ-CG2 4.44Å; V207-I227 HydrophobicContact CG2-CB 4.3Å; V207-I227 HydrophobicContact CG2-CD1 4.32Å; V207-I227 HydrophobicContact CG2-CG2 4.23Å; V224-I227 PolarHBondContact O-N 2.99Å; I227-L232 HydrophobicContact CG2-CD1 3.8Å; I227-L232 HydrophobicContact CG2-CD2 4.29Å; I227-L232 HydrophobicContact CG2-CG 4.32Å
228Q78.3Confident78.4Confident79 Ų7965.4 Ų65.437%0.36933%0.328SS..  trans-107.1141.5175-62.1-177.512.100109.8T225 Q226 K230 M231 L232T225-Q228 WeakPolarHBondContact O-CG 3.44Å; T225-Q228 PolarHBondContact O-NE2 3.19Å; Q226-Q228 VanDerWaalsContact C-N 3.28Å; Q226-Q228 PolarHBondContact O-N 3.09Å; Q228-K230 PolarHBondContact O-N 3.16Å; Q228-M231 PolarHBondContact O-N 3.29Å; Q228-L232 WeakPolarHBondContact O-CG 3.46Å; Q228-L232 PolarHBondContact O-N 3.34Å
229P81Confident79.8Confident32 Ų3259.4 Ų59.421%0.20829%0.286CS..Hα-helixtrans-50.2-36.1177.9-30.736000113.4F205 M231 L232 T233F205-P229 HydrophobicContact CB-CG 4.45Å; F205-P229 HydrophobicContact CD1-CG 4.4Å; P229-M231 PolarHBondContact O-N 3.11Å; P229-L232 PolarHBondContact O-N 2.83Å; P229-T233 VanDerWaalsContact O-CB 3.28Å; P229-T233 WeakPolarHBondContact O-CB 3.48Å; P229-T233 PolarHBondContact O-N 3.42Å; P229-T233 PolarHBondContact O-OG1 3.31Å
230K82.4Confident81.2Confident121 Ų12158.2 Ų58.253%0.52628%0.28SS..Hα-helixtrans-63.8-39.6176.8-170.4179.7-178.5176.70113.3Q228Q228-K230 PolarHBondContact O-N 3.16Å
231M86Confident82.5Confident65 Ų6561 Ų6132%0.3229%0.285SS..Hα-helixtrans-76.2-42.6177.6-67-56.7101.800110.7Q228 P229 T233 K234 H235Q228-M231 PolarHBondContact O-N 3.29Å; P229-M231 PolarHBondContact O-N 3.11Å; M231-T233 VanDerWaalsContact C-N 3.32Å; M231-T233 PolarHBondContact O-N 2.96Å; M231-K234 HydrophobicContact CE-CD 4.17Å; M231-K234 WeakPolarHBondContact O-CB 3.32Å; M231-K234 PolarHBondContact O-N 3.3Å; M231-K234 VanDerWaalsContact O-N 3.08Å; M231-K234 HydrophobicContact SD-CD 4.5Å; M231-H235 PolarHBondContact O-CD2 2.88Å; M231-H235 PolarHBondContact O-N 2.8Å
232L89.7Confident84Confident8 Ų857.7 Ų57.74%0.04227%0.271CS..Hα-helixtrans-56.7-46.1175.5-68.8169.3000111.5L197 W200 F205 I227 Q228 P229 K234 H235 V236L197-L232 HydrophobicContact CD2-CD2 4.06Å; W200-L232 HydrophobicContact CB-CD1 3.61Å; W200-L232 HydrophobicContact CE3-CD1 4.4Å; W200-L232 HydrophobicContact CE3-CD2 4.11Å; W200-L232 WeakPolarHBondContact O-CD1 3.33Å; F205-L232 HydrophobicContact CE1-CD1 4.27Å; I227-L232 HydrophobicContact CG2-CD1 3.8Å; I227-L232 HydrophobicContact CG2-CD2 4.29Å; I227-L232 HydrophobicContact CG2-CG 4.32Å; Q228-L232 WeakPolarHBondContact O-CG 3.46Å; Q228-L232 PolarHBondContact O-N 3.34Å; P229-L232 PolarHBondContact O-N 2.83Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 3.44Å; L232-H235 CarbonylContact O-C 3.58Å; L232-H235 WeakPolarHBondContact O-CA 3.27Å; L232-H235 PolarHBondContact O-N 3.2Å; L232-V236 WeakPolarHBondContact O-CG2 3.46Å; L232-V236 PolarHBondContact O-N 3.01Å
233T91.8Very high85.4Confident8 Ų854.6 Ų54.65%0.04926%0.256CS..Hα-helixtrans-55.2-41.3175.8-62.80000112P229 M231 V237 A253 R257P229-T233 VanDerWaalsContact O-CB 3.28Å; P229-T233 WeakPolarHBondContact O-CB 3.48Å; P229-T233 PolarHBondContact O-N 3.42Å; P229-T233 PolarHBondContact O-OG1 3.31Å; M231-T233 VanDerWaalsContact C-N 3.32Å; M231-T233 PolarHBondContact O-N 2.96Å; T233-V237 WeakPolarHBondContact O-CG2 3.33Å; T233-V237 PolarHBondContact O-N 3.43Å; T233-V237 VanDerWaalsContact O-N 3.13Å; T233-A253 HydrophobicContact CG2-CB 4.19Å; T233-R257 HydrophobicContact CG2-CG 3.42Å; T233-R257 VanDerWaalsContact CG2-CG 3.42Å
234K90.9Very high86.5Confident123 Ų12360.3 Ų60.354%0.53528%0.283SS..Hα-helixtrans-66.1-41.5176-68.6179.5179.6-174.80111.8M231 L232 R238M231-K234 HydrophobicContact CE-CD 4.17Å; M231-K234 WeakPolarHBondContact O-CB 3.32Å; M231-K234 PolarHBondContact O-N 3.3Å; M231-K234 VanDerWaalsContact O-N 3.08Å; M231-K234 HydrophobicContact SD-CD 4.5Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 3.44Å; K234-R238 WeakPolarHBondContact O-CB 3.47Å; K234-R238 PolarHBondContact O-N 3.06Å; K234-R238 VanDerWaalsContact O-N 3.11Å
235H92.8Very high87.8Confident69 Ų6959.8 Ų59.832%0.31928%0.279SS..Hα-helixtrans-66-43177.5-69.5-59.5000112.1L176 M231 L232 R238 L239L176-H235 HydrophobicContact CD2-CB 3.86Å; M231-H235 PolarHBondContact O-CD2 2.88Å; M231-H235 PolarHBondContact O-N 2.8Å; L232-H235 CarbonylContact O-C 3.58Å; L232-H235 WeakPolarHBondContact O-CA 3.27Å; L232-H235 PolarHBondContact O-N 3.2Å; H235-R238 PolarHBondContact O-N 2.98Å; H235-L239 WeakPolarHBondContact O-CB 3.38Å; H235-L239 VanDerWaalsContact O-CG 3.26Å; H235-L239 WeakPolarHBondContact O-CG 3.32Å; H235-L239 PolarHBondContact O-N 3.27Å
236V95.4Very high89.1Confident0 Ų060.1 Ų60.10%028%0.277CS..Hα-helixtrans-57-51.8176.4171.10000110.3V194 L197 D198 L232 R238 L239 M240 C250 A253V194-V236 HydrophobicContact CG1-CG1 4.04Å; L197-V236 HydrophobicContact CB-CG2 3.59Å; D198-V236 HydrophobicContact CB-CG1 4.36Å; D198-V236 HydrophobicContact CB-CG2 4.44Å; L232-V236 WeakPolarHBondContact O-CG2 3.46Å; L232-V236 PolarHBondContact O-N 3.01Å; V236-R238 PolarHBondContact O-N 3.36Å; V236-L239 PolarHBondContact O-N 3.32Å; V236-M240 VanDerWaalsContact O-CB 3.28Å; V236-M240 WeakPolarHBondContact O-CB 3.45Å; V236-M240 PolarHBondContact O-N 2.94Å; V236-C250 HydrophobicContact CG1-CB 3.9Å; V236-A253 HydrophobicContact CB-CB 3.98Å; V236-A253 HydrophobicContact CG1-CB 3.65Å; V236-A253 HydrophobicContact CG2-CB 4.42Å
237V92.4Very high90.2Very high10 Ų1060.6 Ų60.66%0.06128%0.279CS..Hα-helixtrans-61.4-46.5-179.8172.80000112.2T233 L239 M240 E241 I411T233-V237 WeakPolarHBondContact O-CG2 3.33Å; T233-V237 PolarHBondContact O-N 3.43Å; T233-V237 VanDerWaalsContact O-N 3.13Å; V237-L239 VanDerWaalsContact C-N 3.3Å; V237-L239 PolarHBondContact O-N 3.32Å; V237-M240 WeakPolarHBondContact O-CB 3.34Å; V237-M240 PolarHBondContact O-N 3.2Å; V237-E241 PolarHBondContact O-N 2.99Å; V237-I411 HydrophobicContact CB-CD1 4.44Å; V237-I411 HydrophobicContact CG1-CD1 3.96Å; V237-I411 HydrophobicContact CG2-CD1 3.68Å
238R94.6Very high90.8Very high90 Ų9063.6 Ų63.634%0.3430%0.302SS..Hα-helixtrans-59.4-42177.6-179.7-16258.9103.7-0.4111.7E180 K234 H235 V236 K242E180-R238 VanDerWaalsContact CD-NH2 3.27Å; E180-R238 IonicContact OE1-CZ 2.75Å; E180-R238 IonicContact OE1-NH1 2.93Å; E180-R238 PolarHBondContact OE1-NH1 3.29Å; E180-R238 VanDerWaalsContact OE1-NH1 3.16Å; E180-R238 IonicContact OE1-NH2 2.9Å; E180-R238 PolarHBondContact OE1-NH2 2.96Å; E180-R238 IonicContact OE2-CZ 3.29Å; E180-R238 IonicContact OE2-NH1 3.58Å; E180-R238 PolarHBondContact OE2-NH1 2.91Å; E180-R238 IonicContact OE2-NH2 2.78Å; K234-R238 WeakPolarHBondContact O-CB 3.47Å; K234-R238 PolarHBondContact O-N 3.06Å; K234-R238 VanDerWaalsContact O-N 3.11Å; H235-R238 PolarHBondContact O-N 2.98Å; V236-R238 PolarHBondContact O-N 3.36Å; R238-K242 VanDerWaalsContact O-CB 3.22Å; R238-K242 WeakPolarHBondContact O-CB 3.42Å; R238-K242 PolarHBondContact O-N 2.8Å
239L95.3Very high91.5Very high0 Ų063.2 Ų63.20%030%0.299CS..Hα-helixtrans-72.9-35.5179.9-70178000112.3E180 L193 V194 L197 H235 V236 V237 K242 F243E180-L239 HydrophobicContact CG-CD2 3.76Å; L193-L239 HydrophobicContact CD2-CD1 4.33Å; V194-L239 HydrophobicContact CG2-CB 3.58Å; V194-L239 HydrophobicContact CG2-CD1 4.37Å; L197-L239 HydrophobicContact CD1-CD1 3.66Å; H235-L239 WeakPolarHBondContact O-CB 3.38Å; H235-L239 VanDerWaalsContact O-CG 3.26Å; H235-L239 WeakPolarHBondContact O-CG 3.32Å; H235-L239 PolarHBondContact O-N 3.27Å; V236-L239 PolarHBondContact O-N 3.32Å; V237-L239 VanDerWaalsContact C-N 3.3Å; V237-L239 PolarHBondContact O-N 3.32Å; L239-K242 HydrophobicContact CD2-CD 4.31Å; L239-K242 PolarHBondContact O-N 3.44Å; L239-F243 HydrophobicContact CB-CD2 4.21Å; L239-F243 HydrophobicContact CB-CE2 4.3Å; L239-F243 HydrophobicContact CD2-CD2 4.35Å; L239-F243 HydrophobicContact CD2-CE2 3.71Å; L239-F243 HydrophobicContact CD2-CZ 4.2Å; L239-F243 HydrophobicContact CG-CE2 4.46Å; L239-F243 WeakPolarHBondContact O-CB 3.38Å; L239-F243 WeakPolarHBondContact O-CD2 3.46Å; L239-F243 PolarHBondContact O-N 3.14Å
240M94.4Very high92.2Very high10 Ų1061.8 Ų61.85%0.04929%0.29CS..Hα-helixtrans-59.6-47.1174-172.6-175.672.600110.9V236 V237 K244 I245 Q247 C250 I411V236-M240 VanDerWaalsContact O-CB 3.28Å; V236-M240 WeakPolarHBondContact O-CB 3.45Å; V236-M240 PolarHBondContact O-N 2.94Å; V237-M240 WeakPolarHBondContact O-CB 3.34Å; V237-M240 PolarHBondContact O-N 3.2Å; M240-K244 CarbonylContact O-C 3.13Å; M240-K244 WeakPolarHBondContact O-CA 3.46Å; M240-K244 PolarHBondContact O-N 3.14Å; M240-I245 HydrophobicContact CG-CB 4.16Å; M240-I245 WeakPolarHBondContact CG-O 3.22Å; M240-I245 PolarHBondContact O-N 3.22Å; M240-Q247 HydrophobicContact SD-CB 4.01Å; M240-C250 HydrophobicContact SD-CB 4.41Å; M240-I411 HydrophobicContact CE-CD1 3.47Å; M240-I411 VanDerWaalsContact CE-CD1 3.47Å; M240-I411 HydrophobicContact CE-CG2 4.01Å
241E91.8Very high92.7Very high101 Ų10159.6 Ų59.647%0.47229%0.288SS..Hα-helixtrans-63.4-49.5173.9-71.1175.2-173.600111.7V237 F243 K244V237-E241 PolarHBondContact O-N 2.99Å; E241-F243 PolarHBondContact O-N 3.32Å; E241-K244 PolarHBondContact O-N 3.3Å
242K93.9Very high93Very high111 Ų11159.2 Ų59.248%0.48329%0.287SS..Hα-helixtrans-60.1-41.8-177.5178.2177.2172.1179.30113.1E180 R238 L239E180-K242 IonicContact OE2-NZ 3.67Å; E180-K242 PolarHBondContact OE2-NZ 2.8Å; R238-K242 VanDerWaalsContact O-CB 3.22Å; R238-K242 WeakPolarHBondContact O-CB 3.42Å; R238-K242 PolarHBondContact O-N 2.8Å; L239-K242 HydrophobicContact CD2-CD 4.31Å; L239-K242 PolarHBondContact O-N 3.44Å
243F94.8Very high93.2Very high27 Ų2758.9 Ų58.912%0.11829%0.286CS..Hα-helixtrans-95.52.9-179-59.9-44.1000113.2V183 E190 V194 L239 E241 I245V183-F243 HydrophobicContact CG2-CE2 4.16Å; V183-F243 HydrophobicContact CG2-CZ 3.98Å; E190-F243 HydrophobicContact CB-CB 4.23Å; E190-F243 HydrophobicContact CB-CD1 4.31Å; E190-F243 HydrophobicContact CB-CD2 3.94Å; E190-F243 HydrophobicContact CB-CE2 4.32Å; E190-F243 HydrophobicContact CB-CG 3.94Å; E190-F243 HydrophobicContact CG-CD1 3.89Å; E190-F243 HydrophobicContact CG-CD2 4.24Å; E190-F243 HydrophobicContact CG-CE1 3.97Å; E190-F243 HydrophobicContact CG-CE2 4.29Å; E190-F243 HydrophobicContact CG-CG 4.05Å; E190-F243 HydrophobicContact CG-CZ 4.17Å; V194-F243 HydrophobicContact CG2-CD2 4.14Å; L239-F243 HydrophobicContact CB-CD2 4.21Å; L239-F243 HydrophobicContact CB-CE2 4.3Å; L239-F243 HydrophobicContact CD2-CD2 4.35Å; L239-F243 HydrophobicContact CD2-CE2 3.71Å; L239-F243 HydrophobicContact CD2-CZ 4.2Å; L239-F243 HydrophobicContact CG-CE2 4.46Å; L239-F243 WeakPolarHBondContact O-CB 3.38Å; L239-F243 WeakPolarHBondContact O-CD2 3.46Å; L239-F243 PolarHBondContact O-N 3.14Å; E241-F243 PolarHBondContact O-N 3.32Å; F243-I245 VanDerWaalsContact C-N 3.27Å; F243-I245 HydrophobicContact CB-CD1 3.68Å; F243-I245 HydrophobicContact CB-CG1 3.89Å; F243-I245 HydrophobicContact CD2-CD1 4.17Å; F243-I245 HydrophobicContact CG-CD1 4.43Å; F243-I245 PolarHBondContact O-N 3.02Å
244K92.9Very high93.2Very high194 Ų19459.8 Ų59.884%0.84329%0.29SS*.THydrogen-bonded Turntrans51.845.3-177.4-55.4-176.3179.1-174.90112.2M240 E241M240-K244 CarbonylContact O-C 3.13Å; M240-K244 WeakPolarHBondContact O-CA 3.46Å; M240-K244 PolarHBondContact O-N 3.14Å; E241-K244 PolarHBondContact O-N 3.3Å
245I93.9Very high93.2Very high24 Ų2455.8 Ų55.812%0.12327%0.273CS..  trans-84.8139178.7-67.7162.5000109V194 M240 F243 F249V194-I245 HydrophobicContact CB-CD1 3.79Å; V194-I245 HydrophobicContact CG1-CD1 4.34Å; V194-I245 HydrophobicContact CG2-CD1 3.44Å; V194-I245 VanDerWaalsContact CG2-CD1 3.44Å; M240-I245 HydrophobicContact CG-CB 4.16Å; M240-I245 WeakPolarHBondContact CG-O 3.22Å; M240-I245 PolarHBondContact O-N 3.22Å; F243-I245 VanDerWaalsContact C-N 3.27Å; F243-I245 HydrophobicContact CB-CD1 3.68Å; F243-I245 HydrophobicContact CB-CG1 3.89Å; F243-I245 HydrophobicContact CD2-CD1 4.17Å; F243-I245 HydrophobicContact CG-CD1 4.43Å; F243-I245 PolarHBondContact O-N 3.02Å; I245-F249 HydrophobicContact CG2-CB 4.26Å; I245-F249 HydrophobicContact CG2-CD2 4.09Å
246D91.9Very high93.1Very high91 Ų9154 Ų5449%0.48726%0.264SS..  trans-66.4139.2177.4-171.9-88.6000111.9S248 F249D246-S248 PolarHBondContact O-N 3.29Å; D246-S248 WeakPolarHBondContact OD1-CB 3.31Å; D246-S248 PolarHBondContact OD1-N 3.12Å; D246-S248 PolarHBondContact OD1-OG 3.07Å; D246-F249 HydrophobicContact CB-CD2 3.94Å; D246-F249 HydrophobicContact CB-CE2 3.96Å; D246-F249 WeakPolarHBondContact O-CD2 3.36Å; D246-F249 PolarHBondContact O-N 3.22Å
247Q91.1Very high92.9Very high92 Ų9257.6 Ų57.643%0.4328%0.278SS..G310 helixtrans-63.5-24.2-176.467.5-179.91.600113.7M240 F249 C250 L254 I411M240-Q247 HydrophobicContact SD-CB 4.01Å; Q247-F249 PolarHBondContact O-N 2.88Å; Q247-F249 VanDerWaalsContact O-N 3.1Å; Q247-C250 PolarHBondContact O-N 2.99Å; Q247-L254 HydrophobicContact CB-CD1 3.93Å; Q247-L254 WeakPolarHBondContact O-CD1 3.48Å; Q247-I411 PolarHBondContact OE1-O 3.04Å
248S91.8Very high93Very high81 Ų8159 Ų5957%0.56628%0.282SS*.G310 helixtrans-60.4-20176.263.50000113.7D246 C250D246-S248 PolarHBondContact O-N 3.29Å; D246-S248 WeakPolarHBondContact OD1-CB 3.31Å; D246-S248 PolarHBondContact OD1-N 3.12Å; D246-S248 PolarHBondContact OD1-OG 3.07Å; S248-C250 VanDerWaalsContact C-N 3.34Å
249F93.3Very high92.8Very high71 Ų7154.9 Ų54.931%0.31127%0.267SS..G310 helixtrans-83.8-5.3176-62.7-63.6000114.2K191 M195 I245 D246 Q247K191-F249 VanDerWaalsContact CE-CZ 3.5Å; M195-F249 HydrophobicContact CG-CB 4.07Å; M195-F249 HydrophobicContact SD-CB 4.42Å; M195-F249 HydrophobicContact SD-CD1 4.11Å; I245-F249 HydrophobicContact CG2-CB 4.26Å; I245-F249 HydrophobicContact CG2-CD2 4.09Å; D246-F249 HydrophobicContact CB-CD2 3.94Å; D246-F249 HydrophobicContact CB-CE2 3.96Å; D246-F249 WeakPolarHBondContact O-CD2 3.36Å; D246-F249 PolarHBondContact O-N 3.22Å; Q247-F249 PolarHBondContact O-N 2.88Å; Q247-F249 VanDerWaalsContact O-N 3.1Å
250C94.5Very high92.6Very high1 Ų157.4 Ų57.41%0.00728%0.28CS..  trans-125.951-175.2-50.90000113.8V194 D198 V236 M240 Q247 S248 N252 L254V194-C250 WeakPolarHBondContact CG1-SG 3.48Å; D198-C250 HydrophobicContact CB-CB 4.38Å; D198-C250 VanDerWaalsContact CG-CA 3.41Å; D198-C250 VanDerWaalsContact OD1-CA 3.3Å; D198-C250 WeakPolarHBondContact OD1-CA 3.5Å; V236-C250 HydrophobicContact CG1-CB 3.9Å; M240-C250 HydrophobicContact SD-CB 4.41Å; Q247-C250 PolarHBondContact O-N 2.99Å; S248-C250 VanDerWaalsContact C-N 3.34Å; C250-N252 VanDerWaalsContact C-N 3.34Å; C250-N252 PolarHBondContact O-N 3.08Å; C250-L254 WeakPolarHBondContact O-CB 3.23Å; C250-L254 WeakPolarHBondContact O-CD1 3.49Å; C250-L254 WeakPolarHBondContact O-CG 3.47Å; C250-L254 PolarHBondContact O-N 3.14Å
251P92.7Very high92.6Very high76 Ų7657.9 Ų57.949%0.49429%0.285SS..Hα-helixtrans-63.7-34.2-172.826.6-35.4000113.6D198 H255D198-P251 WeakPolarHBondContact OD2-CD 3.4Å; P251-H255 VanDerWaalsContact O-CB 3.32Å; P251-H255 WeakPolarHBondContact O-CB 3.28Å; P251-H255 PolarHBondContact O-N 3.11Å
252N93.2Very high92.7Very high57 Ų5753.1 Ų53.131%0.30526%0.262SS..Hα-helixtrans-72.8-45.8-174.2-61.9-69000111.8D198 C201 C250 L254 H255 K256D198-N252 VanDerWaalsContact O-CB 3.31Å; D198-N252 WeakPolarHBondContact O-CB 3.48Å; D198-N252 PolarHBondContact O-ND2 2.87Å; D198-N252 PolarHBondContact OD1-N 3.16Å; D198-N252 WeakPolarHBondContact OD2-CB 3.28Å; D198-N252 PolarHBondContact OD2-N 3.06Å; D198-N252 PolarHBondContact OD2-ND2 3.27Å; C201-N252 HydrophobicContact CB-CB 3.89Å; C250-N252 VanDerWaalsContact C-N 3.34Å; C250-N252 PolarHBondContact O-N 3.08Å; N252-L254 VanDerWaalsContact C-N 3.32Å; N252-L254 PolarHBondContact O-N 3.16Å; N252-H255 PolarHBondContact O-N 3.44Å; N252-K256 VanDerWaalsContact O-CB 3.32Å; N252-K256 WeakPolarHBondContact O-CB 3.26Å; N252-K256 PolarHBondContact O-N 3.4Å
253A93.5Very high92.6Very high1 Ų153.3 Ų53.31%0.00826%0.26CS..Hα-helixtrans-63.4-39.9176.700000111.2D198 C201 T233 V236 K256 R257D198-A253 WeakPolarHBondContact OD1-CB 3.4Å; D198-A253 PolarHBondContact OD1-N 2.65Å; C201-A253 HydrophobicContact CB-CB 4.21Å; T233-A253 HydrophobicContact CG2-CB 4.19Å; V236-A253 HydrophobicContact CB-CB 3.98Å; V236-A253 HydrophobicContact CG1-CB 3.65Å; V236-A253 HydrophobicContact CG2-CB 4.42Å; A253-K256 PolarHBondContact O-N 2.9Å; A253-R257 WeakPolarHBondContact O-CG 3.45Å; A253-R257 PolarHBondContact O-N 2.88Å
254L91.5Very high92.4Very high27 Ų2756.6 Ų56.614%0.14127%0.273CS..Hα-helixtrans-64.5-50.1175.9-70172.2000111.9Q247 C250 N252 K256 R257 R258 I411Q247-L254 HydrophobicContact CB-CD1 3.93Å; Q247-L254 WeakPolarHBondContact O-CD1 3.48Å; C250-L254 WeakPolarHBondContact O-CB 3.23Å; C250-L254 WeakPolarHBondContact O-CD1 3.49Å; C250-L254 WeakPolarHBondContact O-CG 3.47Å; C250-L254 PolarHBondContact O-N 3.14Å; N252-L254 VanDerWaalsContact C-N 3.32Å; N252-L254 PolarHBondContact O-N 3.16Å; L254-K256 VanDerWaalsContact C-N 3.28Å; L254-K256 PolarHBondContact O-N 2.97Å; L254-R257 PolarHBondContact O-N 3.35Å; L254-R258 WeakPolarHBondContact O-CG 3.28Å; L254-R258 PolarHBondContact O-N 3.17Å; L254-I411 HydrophobicContact CD2-CB 4.29Å; L254-I411 HydrophobicContact CD2-CD1 3.41Å; L254-I411 VanDerWaalsContact CD2-CD1 3.41Å; L254-I411 HydrophobicContact CD2-CG1 3.69Å
255H91.7Very high92.3Very high39 Ų3947.4 Ų47.418%0.18123%0.232CC..Hα-helixtrans-56.3-45.6174.9-179.7-46.4000110.3P251 N252 R257 R258 L259 D291 E293P251-H255 VanDerWaalsContact O-CB 3.32Å; P251-H255 WeakPolarHBondContact O-CB 3.28Å; P251-H255 PolarHBondContact O-N 3.11Å; N252-H255 PolarHBondContact O-N 3.44Å; H255-R257 VanDerWaalsContact C-N 3.34Å; H255-R257 PolarHBondContact O-N 3.05Å; H255-R258 PolarHBondContact O-N 3.06Å; H255-L259 WeakPolarHBondContact O-CB 3.12Å; H255-L259 PolarHBondContact O-N 3.03Å; H255-D291 IonicContact CD2-OD2 3.63Å; H255-E293 WeakPolarHBondContact NE2-CB 3.08Å
256K91.1Very high92.2Very high30 Ų3046.2 Ų46.213%0.1323%0.227CC..Hα-helixtrans-59.9-42.3-180-175.665.217773.60112.4N252 A253 L254 L259 D260N252-K256 VanDerWaalsContact O-CB 3.32Å; N252-K256 WeakPolarHBondContact O-CB 3.26Å; N252-K256 PolarHBondContact O-N 3.4Å; A253-K256 PolarHBondContact O-N 2.9Å; L254-K256 VanDerWaalsContact C-N 3.28Å; L254-K256 PolarHBondContact O-N 2.97Å; K256-L259 PolarHBondContact O-N 3.41Å; K256-D260 IonicContact NZ-OD1 2.76Å; K256-D260 PolarHBondContact NZ-OD1 2.9Å; K256-D260 IonicContact NZ-OD2 3.98Å; K256-D260 PolarHBondContact NZ-OD2 3.27Å; K256-D260 PolarHBondContact O-N 3.08Å
257R91.5Very high92.1Very high77 Ų7747 Ų4729%0.29122%0.223SC..Hα-helixtrans-64-45176.5-74.6176.861.5110.7-0.4112.7T233 A253 L254 H255 D260 S261 G409T233-R257 HydrophobicContact CG2-CG 3.42Å; T233-R257 VanDerWaalsContact CG2-CG 3.42Å; A253-R257 WeakPolarHBondContact O-CG 3.45Å; A253-R257 PolarHBondContact O-N 2.88Å; L254-R257 PolarHBondContact O-N 3.35Å; H255-R257 VanDerWaalsContact C-N 3.34Å; H255-R257 PolarHBondContact O-N 3.05Å; R257-D260 PolarHBondContact O-N 3.4Å; R257-S261 WeakPolarHBondContact O-CB 3.45Å; R257-S261 PolarHBondContact O-N 2.81Å; R257-S261 PolarHBondContact O-OG 2.94Å; R257-G409 WeakPolarHBondContact CB-O 3.29Å; R257-G409 PolarHBondContact NE-O 3.26Å
258R92.7Very high91.8Very high40 Ų4045 Ų4515%0.15121%0.213CC..Hα-helixtrans-63.8-43.1177.7-68.1171.369.9-1648.2110.6L254 H255 D260 S261 L262 V287 V288 D291 L294L254-R258 WeakPolarHBondContact O-CG 3.28Å; L254-R258 PolarHBondContact O-N 3.17Å; H255-R258 PolarHBondContact O-N 3.06Å; R258-D260 PolarHBondContact O-N 3.22Å; R258-S261 PolarHBondContact O-N 3.36Å; R258-L262 WeakPolarHBondContact O-CB 3.47Å; R258-L262 PolarHBondContact O-N 3.38Å; R258-V287 HydrophobicContact CB-CG1 4.08Å; R258-V287 PolarHBondContact NE-O 3.32Å; R258-V287 PolarHBondContact NH2-O 3.41Å; R258-V287 VanDerWaalsContact O-CG1 3.32Å; R258-V287 WeakPolarHBondContact O-CG1 3.5Å; R258-V288 PolarHBondContact NH2-O 2.92Å; R258-D291 IonicContact CZ-OD2 3.16Å; R258-D291 IonicContact NH1-OD2 3.98Å; R258-D291 PolarHBondContact NH1-OD2 3.06Å; R258-D291 VanDerWaalsContact NH1-OD2 3.09Å; R258-L294 HydrophobicContact CB-CD1 3.54Å; R258-L294 HydrophobicContact CB-CD2 4.45Å; R258-L294 HydrophobicContact CG-CD1 4.4Å; R258-L294 VanDerWaalsContact CZ-CD1 3.45Å
259L92.3Very high91.6Very high3 Ų341.5 Ų41.52%0.01619%0.189CC..Hα-helixtrans-61.2-43.9174.9-179.560.6000112.8H255 K256 S261 L262 R263 L294 H297H255-L259 WeakPolarHBondContact O-CB 3.12Å; H255-L259 PolarHBondContact O-N 3.03Å; K256-L259 PolarHBondContact O-N 3.41Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.22Å; L259-L262 WeakPolarHBondContact O-CB 3.46Å; L259-L262 PolarHBondContact O-N 2.92Å; L259-R263 WeakPolarHBondContact O-CG 3.22Å; L259-R263 PolarHBondContact O-N 3.43Å; L259-L294 HydrophobicContact CB-CD2 3.77Å; L259-L294 HydrophobicContact CD1-CD2 4.15Å; L259-H297 HydrophobicContact CD1-CB 3.89Å
260D90.9Very high91.4Very high52 Ų5239.8 Ų39.828%0.27818%0.181SC..Hα-helixtrans-65.5-36.7176.4-75.7-16.1000112K256 R257 R258 R263 Y264K256-D260 IonicContact NZ-OD1 2.76Å; K256-D260 PolarHBondContact NZ-OD1 2.9Å; K256-D260 IonicContact NZ-OD2 3.98Å; K256-D260 PolarHBondContact NZ-OD2 3.27Å; K256-D260 PolarHBondContact O-N 3.08Å; R257-D260 PolarHBondContact O-N 3.4Å; R258-D260 PolarHBondContact O-N 3.22Å; D260-R263 PolarHBondContact O-N 3.21Å; D260-R263 IonicContact OD1-NH1 2.82Å; D260-R263 PolarHBondContact OD1-NH1 3.01Å; D260-Y264 PolarHBondContact O-N 3.14Å
261S92.7Very high90.9Very high21 Ų2141.6 Ų41.615%0.14720%0.2CC..Hα-helixtrans-68.9-40.1175.8-56.30000111.6R257 R258 L259 R263 Y264 L265 F408 G409R257-S261 WeakPolarHBondContact O-CB 3.45Å; R257-S261 PolarHBondContact O-N 2.81Å; R257-S261 PolarHBondContact O-OG 2.94Å; R258-S261 PolarHBondContact O-N 3.36Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.22Å; S261-R263 PolarHBondContact O-N 3.37Å; S261-Y264 WeakPolarHBondContact O-CB 3.47Å; S261-Y264 PolarHBondContact O-N 2.94Å; S261-L265 VanDerWaalsContact O-CG 3.28Å; S261-L265 WeakPolarHBondContact O-CG 3.3Å; S261-L265 PolarHBondContact O-N 3.37Å; S261-F408 VanDerWaalsContact CB-C 3.49Å; S261-F408 WeakPolarHBondContact CB-O 3.4Å; S261-F408 PolarHBondContact OG-O 2.85Å; S261-F408 VanDerWaalsContact OG-O 3.11Å; S261-G409 VanDerWaalsContact OG-CA 3.29Å; S261-G409 WeakPolarHBondContact OG-CA 3.43Å; S261-G409 PolarHBondContact OG-N 3.22Å
262L94.1Very high90.4Very high0 Ų040.9 Ų40.90%019%0.192CC..Hα-helixtrans-59-46.8172.8-179.662.5000111.6R258 L259 Y264 L265 V266 V284 V287 V288 L298 L301R258-L262 WeakPolarHBondContact O-CB 3.47Å; R258-L262 PolarHBondContact O-N 3.38Å; L259-L262 WeakPolarHBondContact O-CB 3.46Å; L259-L262 PolarHBondContact O-N 2.92Å; L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 PolarHBondContact O-N 3.44Å; L262-L265 PolarHBondContact O-N 2.89Å; L262-V266 WeakPolarHBondContact O-CG2 3.43Å; L262-V266 PolarHBondContact O-N 3.19Å; L262-V284 HydrophobicContact CD1-CG1 4.2Å; L262-V284 HydrophobicContact CD1-CG2 3.98Å; L262-V287 HydrophobicContact CB-CG1 4.24Å; L262-V288 HydrophobicContact CD1-CG2 3.88Å; L262-V288 HydrophobicContact CD2-CG2 4.12Å; L262-L298 HydrophobicContact CD1-CB 4.39Å; L262-L298 HydrophobicContact CD1-CD1 3.92Å; L262-L298 HydrophobicContact CD2-CB 4.04Å; L262-L301 HydrophobicContact CD2-CD1 4.12Å; L262-L301 HydrophobicContact CG-CD1 3.97Å
263R92.6Very high90Very high115 Ų11546.2 Ų46.243%0.43421%0.213SC..Hα-helixtrans-59-43.8174.9-72.3169.9-179.5171.5-3.7111.7L259 D260 S261 Y267 L301L259-R263 WeakPolarHBondContact O-CG 3.22Å; L259-R263 PolarHBondContact O-N 3.43Å; D260-R263 PolarHBondContact O-N 3.21Å; D260-R263 IonicContact OD1-NH1 2.82Å; D260-R263 PolarHBondContact OD1-NH1 3.01Å; S261-R263 PolarHBondContact O-N 3.37Å; R263-Y267 WeakPolarHBondContact O-CB 3.19Å; R263-Y267 PolarHBondContact O-N 3.19Å; R263-L301 HydrophobicContact CG-CD1 3.96Å; R263-L301 HydrophobicContact CG-CD2 4.27Å
264Y90.9Very high89.3Confident97 Ų9750.9 Ų50.938%0.3824%0.241SC..Hα-helixtrans-60.8-46.9175.8170.4-96.8000112D260 S261 L262 Y267 K268 F408D260-Y264 PolarHBondContact O-N 3.14Å; S261-Y264 WeakPolarHBondContact O-CB 3.47Å; S261-Y264 PolarHBondContact O-N 2.94Å; L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 PolarHBondContact O-N 3.44Å; Y264-Y267 PolarHBondContact O-N 2.55Å; Y264-K268 HydrophobicContact CD1-CG 4.32Å; Y264-K268 HydrophobicContact CD2-CG 4.11Å; Y264-K268 HydrophobicContact CE1-CG 3.83Å; Y264-K268 HydrophobicContact CE2-CD 4.13Å; Y264-K268 VanDerWaalsContact CE2-CE 3.47Å; Y264-K268 HydrophobicContact CE2-CG 3.61Å; Y264-K268 HydrophobicContact CG-CG 4.44Å; Y264-K268 VanDerWaalsContact CZ-CG 3.46Å; Y264-K268 WeakPolarHBondContact O-CB 3.37Å; Y264-K268 WeakPolarHBondContact O-CG 3.26Å; Y264-K268 PolarHBondContact O-N 3.22Å; Y264-K268 WeakPolarHBondContact OH-CE 3.29Å; Y264-F408 HydrophobicContact CD1-CE1 4.23Å; Y264-F408 AromaticContact CE1-CE1 3.96Å; Y264-F408 HydrophobicContact CE1-CE1 3.96Å
265L91.4Very high88.9Confident0 Ų050.8 Ų50.80%024%0.24CC..Hα-helixtrans-60.6-47.5179.1-71.9169.2000111.5S261 L262 Y267 K268 T269 M275 H283 V284 V287 F408S261-L265 VanDerWaalsContact O-CG 3.28Å; S261-L265 WeakPolarHBondContact O-CG 3.3Å; S261-L265 PolarHBondContact O-N 3.37Å; L262-L265 PolarHBondContact O-N 2.89Å; L265-Y267 PolarHBondContact O-N 3.28Å; L265-K268 PolarHBondContact O-N 3.05Å; L265-T269 PolarHBondContact O-N 3.1Å; L265-T269 VanDerWaalsContact O-N 3.11Å; L265-T269 PolarHBondContact O-OG1 3.3Å; L265-T269 VanDerWaalsContact O-OG1 3.04Å; L265-M275 HydrophobicContact CD2-CE 3.91Å; L265-M275 HydrophobicContact CD2-SD 3.82Å; L265-H283 HydrophobicContact CD1-CB 3.62Å; L265-H283 HydrophobicContact CD2-CB 3.78Å; L265-H283 HydrophobicContact CG-CB 4.36Å; L265-V284 HydrophobicContact CB-CG2 4.46Å; L265-V284 HydrophobicContact CD1-CG2 4.29Å; L265-V287 HydrophobicContact CD1-CG2 3.93Å; L265-F408 HydrophobicContact CD1-CG 4.5Å; L265-F408 HydrophobicContact CD2-CD1 4.05Å; L265-F408 HydrophobicContact CD2-CE1 3.86Å; L265-F408 HydrophobicContact CD2-CE2 4.37Å; L265-F408 HydrophobicContact CD2-CG 4.42Å; L265-F408 HydrophobicContact CD2-CZ 4.02Å; L265-F408 HydrophobicContact CG-CD1 4.37Å
266V90.9Very high88.6Confident0 Ų051.7 Ų51.70%025%0.249CC..Hα-helixtrans-60.1-45.6176.5171.60000111.2L262 T269 F270 W280 L298 L301 Y305L262-V266 WeakPolarHBondContact O-CG2 3.43Å; L262-V266 PolarHBondContact O-N 3.19Å; V266-T269 PolarHBondContact O-N 3.36Å; V266-F270 HydrophobicContact CG1-CD2 3.98Å; V266-F270 WeakPolarHBondContact O-CD2 3.5Å; V266-F270 PolarHBondContact O-N 3.05Å; V266-W280 HydrophobicContact CG2-CZ2 4.38Å; V266-L298 HydrophobicContact CG2-CD1 4.48Å; V266-L301 HydrophobicContact CG1-CB 4.28Å; V266-L301 HydrophobicContact CG2-CB 4.2Å; V266-L301 HydrophobicContact CG2-CD1 4.33Å; V266-Y305 HydrophobicContact CG1-CD2 3.82Å; V266-Y305 HydrophobicContact CG1-CG 3.99Å
267Y89.1Confident88.3Confident107 Ų10754.7 Ų54.742%0.4226%0.263SS..Iπ-helixtrans-62.8-43.1177.9175.7-102.1000112.2R263 Y264 L265 T269 G271 D272R263-Y267 WeakPolarHBondContact O-CB 3.19Å; R263-Y267 PolarHBondContact O-N 3.19Å; Y264-Y267 PolarHBondContact O-N 2.55Å; L265-Y267 PolarHBondContact O-N 3.28Å; Y267-T269 VanDerWaalsContact C-N 3.32Å; Y267-T269 PolarHBondContact O-N 2.77Å; Y267-G271 CarbonylContact O-C 3.49Å; Y267-G271 WeakPolarHBondContact O-CA 3.35Å; Y267-G271 PolarHBondContact O-N 3.48Å; Y267-D272 VanDerWaalsContact CE1-CG 3.49Å; Y267-D272 WeakPolarHBondContact CE1-OD1 3.35Å; Y267-D272 VanDerWaalsContact CE1-OD2 3.31Å; Y267-D272 WeakPolarHBondContact CE1-OD2 3.37Å; Y267-D272 VanDerWaalsContact CZ-OD1 3.26Å; Y267-D272 PolarHBondContact O-N 3.31Å; Y267-D272 PolarHBondContact OH-OD1 2.83Å; Y267-D272 VanDerWaalsContact OH-OD1 3.07Å
268K85.5Confident87.8Confident49 Ų4956 Ų5621%0.21327%0.272CS..Iπ-helixtrans-64.4-36.3-179.8-81.2-71.2171.9-159.50113.5Y264 L265 D272 K273 T274 M275Y264-K268 HydrophobicContact CD1-CG 4.32Å; Y264-K268 HydrophobicContact CD2-CG 4.11Å; Y264-K268 HydrophobicContact CE1-CG 3.83Å; Y264-K268 HydrophobicContact CE2-CD 4.13Å; Y264-K268 VanDerWaalsContact CE2-CE 3.47Å; Y264-K268 HydrophobicContact CE2-CG 3.61Å; Y264-K268 HydrophobicContact CG-CG 4.44Å; Y264-K268 VanDerWaalsContact CZ-CG 3.46Å; Y264-K268 WeakPolarHBondContact O-CB 3.37Å; Y264-K268 WeakPolarHBondContact O-CG 3.26Å; Y264-K268 PolarHBondContact O-N 3.22Å; Y264-K268 WeakPolarHBondContact OH-CE 3.29Å; L265-K268 PolarHBondContact O-N 3.05Å; K268-D272 HydrophobicContact CD-CB 4.43Å; K268-D272 IonicContact NZ-OD2 2.96Å; K268-D272 PolarHBondContact NZ-OD2 3.19Å; K268-K273 PolarHBondContact O-N 3.12Å; K268-T274 WeakPolarHBondContact CD-OG1 3.36Å; K268-T274 PolarHBondContact O-N 3.34Å; K268-T274 PolarHBondContact O-OG1 2.68Å; K268-M275 HydrophobicContact CB-CB 4.35Å
269T88.3Confident87.4Confident9 Ų954.3 Ų54.36%0.05527%0.266CS..Iπ-helixtrans-82.2-49.9-178.4-550000112.2L265 V266 Y267 K273 E277 W280L265-T269 PolarHBondContact O-N 3.1Å; L265-T269 VanDerWaalsContact O-N 3.11Å; L265-T269 PolarHBondContact O-OG1 3.3Å; L265-T269 VanDerWaalsContact O-OG1 3.04Å; V266-T269 PolarHBondContact O-N 3.36Å; Y267-T269 VanDerWaalsContact C-N 3.32Å; Y267-T269 PolarHBondContact O-N 2.77Å; T269-K273 WeakPolarHBondContact O-CA 3.4Å; T269-E277 HydrophobicContact CG2-CG 4.45Å; T269-W280 HydrophobicContact CG2-CB 3.86Å; T269-W280 HydrophobicContact CG2-CD2 4.3Å; T269-W280 HydrophobicContact CG2-CG 3.81Å; T269-W280 VanDerWaalsContact OG1-CB 3.25Å; T269-W280 WeakPolarHBondContact OG1-CB 3.47Å
270F87.8Confident87.3Confident34 Ų3454.2 Ų54.215%0.14927%0.266CS..Iπ-helixtrans-99.7-25.8-171.6-56.9-67.9000113.9V266 W280 L302 Y305 S306 K310V266-F270 HydrophobicContact CG1-CD2 3.98Å; V266-F270 WeakPolarHBondContact O-CD2 3.5Å; V266-F270 PolarHBondContact O-N 3.05Å; F270-W280 HydrophobicContact CE2-CD2 4.18Å; F270-W280 AromaticContact CE2-CE2 3.68Å; F270-W280 HydrophobicContact CE2-CH2 4.1Å; F270-W280 AromaticContact CE2-CZ2 3.66Å; F270-W280 HydrophobicContact CE2-CZ2 3.66Å; F270-W280 HydrophobicContact CZ-CD2 4.29Å; F270-W280 HydrophobicContact CZ-CE3 4.26Å; F270-W280 HydrophobicContact CZ-CH2 4.14Å; F270-W280 HydrophobicContact CZ-CZ2 4.14Å; F270-W280 HydrophobicContact CZ-CZ3 4.18Å; F270-L302 HydrophobicContact CD2-CD2 4.5Å; F270-L302 HydrophobicContact CE2-CD2 3.67Å; F270-L302 HydrophobicContact CZ-CD2 4.05Å; F270-Y305 WeakPolarHBondContact CB-O 3.41Å; F270-S306 VanDerWaalsContact CE1-OG 3.31Å; F270-S306 WeakPolarHBondContact CE1-OG 3.48Å; F270-K310 HydrophobicContact CE1-CD 4.3Å; F270-K310 HydrophobicContact CZ-CD 4.37Å
271G85.5Confident87.2Confident40 Ų4053 Ų5341%0.41226%0.26SS..Iπ-helixtrans-85.4-69.3174.200000112Y267Y267-G271 CarbonylContact O-C 3.49Å; Y267-G271 WeakPolarHBondContact O-CA 3.35Å; Y267-G271 PolarHBondContact O-N 3.48Å
272D82Confident86.9Confident61 Ų6152.2 Ų52.233%0.32626%0.255SS..SBendtrans-76.3-21.9-176.5-77-7.7000113.4Y267 K268 T274Y267-D272 VanDerWaalsContact CE1-CG 3.49Å; Y267-D272 WeakPolarHBondContact CE1-OD1 3.35Å; Y267-D272 VanDerWaalsContact CE1-OD2 3.31Å; Y267-D272 WeakPolarHBondContact CE1-OD2 3.37Å; Y267-D272 VanDerWaalsContact CZ-OD1 3.26Å; Y267-D272 PolarHBondContact O-N 3.31Å; Y267-D272 PolarHBondContact OH-OD1 2.83Å; Y267-D272 VanDerWaalsContact OH-OD1 3.07Å; K268-D272 HydrophobicContact CD-CB 4.43Å; K268-D272 IonicContact NZ-OD2 2.96Å; K268-D272 PolarHBondContact NZ-OD2 3.19Å; D272-T274 HydrophobicContact CB-CG2 4.11Å; D272-T274 PolarHBondContact O-N 3.23Å
273K84.4Confident86.6Confident168 Ų16852.2 Ų52.273%0.7326%0.255SS*.  trans53.935-176.3-55.4-178.6-177.8179.60113.7K268 T269K268-K273 PolarHBondContact O-N 3.12Å; T269-K273 WeakPolarHBondContact O-CA 3.4Å
274T78.9Confident86.5Confident100 Ų10046.8 Ų46.861%0.61323%0.234SC*.  trans-99.9-11.4-179.850.60000113.3K268 D272K268-T274 WeakPolarHBondContact CD-OG1 3.36Å; K268-T274 PolarHBondContact O-N 3.34Å; K268-T274 PolarHBondContact O-OG1 2.68Å; D272-T274 HydrophobicContact CB-CG2 4.11Å; D272-T274 PolarHBondContact O-N 3.23Å
275M83.6Confident86.5Confident24 Ų2444.8 Ų44.812%0.11823%0.228CC..SBendtrans-114.6132.9177.4179.1174.2-80.900109.4L265 K268 N279 W280 F408 M541L265-M275 HydrophobicContact CD2-CE 3.91Å; L265-M275 HydrophobicContact CD2-SD 3.82Å; K268-M275 HydrophobicContact CB-CB 4.35Å; M275-N279 HydrophobicContact CG-CB 4.15Å; M275-W280 HydrophobicContact CG-CB 4.21Å; M275-W280 HydrophobicContact SD-CB 4.01Å; M275-F408 HydrophobicContact CE-CZ 4.46Å; M275-M541 HydrophobicContact CE-CE 3.85Å
276T84.6Confident86.3Confident58 Ų5847.9 Ų47.936%0.35624%0.24SC..  trans-67.1150.8174.957.20000111E278 N279 W280 T538T276-E278 PolarHBondContact O-N 3.4Å; T276-N279 PolarHBondContact O-N 2.82Å; T276-N279 WeakPolarHBondContact OG1-CB 3.37Å; T276-N279 PolarHBondContact OG1-ND2 2.77Å; T276-W280 WeakPolarHBondContact O-CB 3.43Å; T276-W280 PolarHBondContact O-N 3.03Å; T276-T538 HydrophobicContact CG2-CG2 3.65Å
277E83.8Confident86.3Confident93 Ų9347.9 Ų47.944%0.43524%0.24SC..Hα-helixtrans-63.4-29.8-179.7-58.4-161154.200113.7T269 T281 K310T269-E277 HydrophobicContact CG2-CG 4.45Å; E277-T281 WeakPolarHBondContact O-CB 3.39Å; E277-T281 PolarHBondContact O-N 2.83Å; E277-T281 PolarHBondContact O-OG1 3.15Å; E277-K310 IonicContact OE1-NZ 3.77Å; E277-K310 PolarHBondContact OE1-NZ 3.3Å; E277-K310 IonicContact OE2-NZ 2.66Å; E277-K310 PolarHBondContact OE2-NZ 3.25Å
278E82.5Confident86.4Confident104 Ų10442.8 Ų42.849%0.48622%0.22SC..Hα-helixtrans-66.6-53.9177.3-62.6-174.6176.500111.4T276 W280 T281 D282 R550T276-E278 PolarHBondContact O-N 3.4Å; E278-W280 VanDerWaalsContact C-N 3.3Å; E278-W280 PolarHBondContact O-N 3.45Å; E278-T281 WeakPolarHBondContact O-CB 3.35Å; E278-T281 PolarHBondContact O-N 3Å; E278-T281 VanDerWaalsContact O-N 3.11Å; E278-D282 PolarHBondContact O-N 2.92Å; E278-R550 VanDerWaalsContact OE2-CD 3.28Å; E278-R550 WeakPolarHBondContact OE2-CD 3.17Å; E278-R550 IonicContact OE2-NE 3.58Å
279N84.2Confident86.6Confident5 Ų542.3 Ų42.33%0.02723%0.226CC..Hα-helixtrans-55.5-45.9172.8-76.4-19.9000112M275 T276 T281 D282 H283 T538 E539 S542 R550M275-N279 HydrophobicContact CG-CB 4.15Å; T276-N279 PolarHBondContact O-N 2.82Å; T276-N279 WeakPolarHBondContact OG1-CB 3.37Å; T276-N279 PolarHBondContact OG1-ND2 2.77Å; N279-T281 VanDerWaalsContact C-N 3.32Å; N279-T281 PolarHBondContact O-N 2.82Å; N279-D282 PolarHBondContact O-N 3.4Å; N279-H283 PolarHBondContact O-CD2 3.15Å; N279-H283 PolarHBondContact O-N 2.66Å; N279-T538 PolarHBondContact ND2-O 3.1Å; N279-E539 PolarHBondContact OD1-OE2 2.99Å; N279-S542 WeakPolarHBondContact OD1-CB 3.37Å; N279-R550 PolarHBondContact OD1-NH2 3.1Å
280W89.7Confident86.6Confident2 Ų248.8 Ų48.81%0.00826%0.26CS..Hα-helixtrans-57.7-44.8176.4174.578.2000112.4V266 T269 F270 M275 T276 E278 D282 H283 V284 L298 L302 W314V266-W280 HydrophobicContact CG2-CZ2 4.38Å; T269-W280 HydrophobicContact CG2-CB 3.86Å; T269-W280 HydrophobicContact CG2-CD2 4.3Å; T269-W280 HydrophobicContact CG2-CG 3.81Å; T269-W280 VanDerWaalsContact OG1-CB 3.25Å; T269-W280 WeakPolarHBondContact OG1-CB 3.47Å; F270-W280 HydrophobicContact CE2-CD2 4.18Å; F270-W280 AromaticContact CE2-CE2 3.68Å; F270-W280 HydrophobicContact CE2-CH2 4.1Å; F270-W280 AromaticContact CE2-CZ2 3.66Å; F270-W280 HydrophobicContact CE2-CZ2 3.66Å; F270-W280 HydrophobicContact CZ-CD2 4.29Å; F270-W280 HydrophobicContact CZ-CE3 4.26Å; F270-W280 HydrophobicContact CZ-CH2 4.14Å; F270-W280 HydrophobicContact CZ-CZ2 4.14Å; F270-W280 HydrophobicContact CZ-CZ3 4.18Å; M275-W280 HydrophobicContact CG-CB 4.21Å; M275-W280 HydrophobicContact SD-CB 4.01Å; T276-W280 WeakPolarHBondContact O-CB 3.43Å; T276-W280 PolarHBondContact O-N 3.03Å; E278-W280 VanDerWaalsContact C-N 3.3Å; E278-W280 PolarHBondContact O-N 3.45Å; W280-D282 VanDerWaalsContact C-N 3.34Å; W280-D282 PolarHBondContact O-N 2.83Å; W280-H283 PolarHBondContact O-N 3.17Å; W280-V284 HydrophobicContact CD2-CG2 4.07Å; W280-V284 VanDerWaalsContact CE2-CG2 3.48Å; W280-V284 HydrophobicContact CG-CG2 4.31Å; W280-V284 HydrophobicContact CZ2-CG2 3.76Å; W280-V284 WeakPolarHBondContact O-CB 3.28Å; W280-V284 VanDerWaalsContact O-CG2 3.29Å; W280-V284 WeakPolarHBondContact O-CG2 3.31Å; W280-V284 PolarHBondContact O-N 2.81Å; W280-L298 HydrophobicContact CH2-CD1 4.4Å; W280-L298 HydrophobicContact CZ2-CD1 3.95Å; W280-L302 HydrophobicContact CH2-CD1 4.26Å; W280-L302 HydrophobicContact CH2-CD2 3.71Å; W280-L302 HydrophobicContact CH2-CG 4.48Å; W280-L302 HydrophobicContact CZ2-CD2 3.78Å; W280-W314 HydrophobicContact CE3-CZ2 4.28Å; W280-W314 HydrophobicContact CH2-CD2 4.5Å; W280-W314 AromaticContact CH2-CE2 3.52Å; W280-W314 AromaticContact CH2-CZ2 3.59Å; W280-W314 HydrophobicContact CH2-CZ2 3.59Å; W280-W314 AromaticContact CH2-NE1 3.35Å; W280-W314 VanDerWaalsContact CH2-NE1 3.35Å; W280-W314 AromaticContact CZ3-CE2 3.64Å; W280-W314 AromaticContact CZ3-CZ2 3.42Å; W280-W314 HydrophobicContact CZ3-CZ2 3.42Å; W280-W314 VanDerWaalsContact CZ3-CZ2 3.42Å; W280-W314 AromaticContact CZ3-NE1 3.46Å
281T88.2Confident86.7Confident25 Ų2548.8 Ų48.815%0.15326%0.262CS..Hα-helixtrans-61-44.5179.3-62.50000111.1E277 E278 N279 V284 Q285 W314E277-T281 WeakPolarHBondContact O-CB 3.39Å; E277-T281 PolarHBondContact O-N 2.83Å; E277-T281 PolarHBondContact O-OG1 3.15Å; E278-T281 WeakPolarHBondContact O-CB 3.35Å; E278-T281 PolarHBondContact O-N 3Å; E278-T281 VanDerWaalsContact O-N 3.11Å; N279-T281 VanDerWaalsContact C-N 3.32Å; N279-T281 PolarHBondContact O-N 2.82Å; T281-V284 PolarHBondContact O-N 3.28Å; T281-Q285 VanDerWaalsContact O-CG 3.29Å; T281-Q285 WeakPolarHBondContact O-CG 3.09Å; T281-Q285 PolarHBondContact O-N 3.38Å; T281-W314 HydrophobicContact CG2-CH2 4Å; T281-W314 HydrophobicContact CG2-CZ2 3.94Å
282D86Confident87.1Confident6 Ų650.3 Ų50.33%0.03226%0.26CS..Hα-helixtrans-65.3-42.6179.5-69.9-21.2000112.1E278 N279 W280 Y286 N543 K546 R550E278-D282 PolarHBondContact O-N 2.92Å; N279-D282 PolarHBondContact O-N 3.4Å; W280-D282 VanDerWaalsContact C-N 3.34Å; W280-D282 PolarHBondContact O-N 2.83Å; D282-Y286 PolarHBondContact O-N 3.37Å; D282-Y286 VanDerWaalsContact O-N 3.15Å; D282-N543 HydrophobicContact CB-CB 3.72Å; D282-K546 IonicContact OD1-NZ 3.32Å; D282-K546 PolarHBondContact OD1-NZ 3.3Å; D282-K546 IonicContact OD2-NZ 3.92Å; D282-K546 PolarHBondContact OD2-NZ 3.4Å; D282-R550 IonicContact OD2-CZ 3.55Å; D282-R550 IonicContact OD2-NH1 2.76Å; D282-R550 PolarHBondContact OD2-NH1 3.09Å
283H88.9Confident87.6Confident0 Ų050.9 Ų50.90%026%0.261CS..Hα-helixtrans-68.7-41.2176.4-63.4-44.3000112.9L265 N279 W280 Q285 Y286 V287 F408 M541L265-H283 HydrophobicContact CD1-CB 3.62Å; L265-H283 HydrophobicContact CD2-CB 3.78Å; L265-H283 HydrophobicContact CG-CB 4.36Å; N279-H283 PolarHBondContact O-CD2 3.15Å; N279-H283 PolarHBondContact O-N 2.66Å; W280-H283 PolarHBondContact O-N 3.17Å; H283-Q285 VanDerWaalsContact C-N 3.3Å; H283-Q285 PolarHBondContact O-N 2.86Å; H283-Y286 PolarHBondContact O-N 3.08Å; H283-V287 WeakPolarHBondContact O-CB 3.48Å; H283-V287 VanDerWaalsContact O-CG2 3.25Å; H283-V287 WeakPolarHBondContact O-CG2 3.33Å; H283-V287 PolarHBondContact O-N 3.43Å; H283-F408 HydrophobicContact CB-CD2 4.2Å; H283-F408 HydrophobicContact CB-CE2 4.34Å; H283-F408 AromaticContact CD2-CE2 3.77Å; H283-F408 AromaticContact CE1-CE2 3.53Å; H283-F408 AromaticContact CG-CD2 3.79Å; H283-F408 AromaticContact CG-CE2 3.54Å; H283-F408 AromaticContact ND1-CD2 3.57Å; H283-F408 AromaticContact ND1-CE2 3.37Å; H283-F408 WeakPolarHBondContact ND1-CE2 3.14Å; H283-F408 AromaticContact NE2-CE2 3.77Å; H283-M541 PolarHBondContact CE1-O 3.13Å; H283-M541 PolarHBondContact NE2-O 3.08Å
284V90.9Very high88Confident0 Ų042.9 Ų42.90%023%0.226CC..Hα-helixtrans-62.8-41.2178.8166.30000110.4L262 L265 W280 T281 Y286 V287 V288 L298 W314L262-V284 HydrophobicContact CD1-CG1 4.2Å; L262-V284 HydrophobicContact CD1-CG2 3.98Å; L265-V284 HydrophobicContact CB-CG2 4.46Å; L265-V284 HydrophobicContact CD1-CG2 4.29Å; W280-V284 HydrophobicContact CD2-CG2 4.07Å; W280-V284 VanDerWaalsContact CE2-CG2 3.48Å; W280-V284 HydrophobicContact CG-CG2 4.31Å; W280-V284 HydrophobicContact CZ2-CG2 3.76Å; W280-V284 WeakPolarHBondContact O-CB 3.28Å; W280-V284 VanDerWaalsContact O-CG2 3.29Å; W280-V284 WeakPolarHBondContact O-CG2 3.31Å; W280-V284 PolarHBondContact O-N 2.81Å; T281-V284 PolarHBondContact O-N 3.28Å; V284-Y286 VanDerWaalsContact C-N 3.34Å; V284-Y286 PolarHBondContact O-N 3.08Å; V284-V287 PolarHBondContact O-N 3.47Å; V284-V288 HydrophobicContact CG1-CG2 4.01Å; V284-V288 WeakPolarHBondContact O-CB 3.49Å; V284-V288 VanDerWaalsContact O-CG2 3.29Å; V284-V288 WeakPolarHBondContact O-CG2 3.48Å; V284-V288 PolarHBondContact O-N 3.18Å; V284-L298 HydrophobicContact CG1-CD1 3.75Å; V284-L298 HydrophobicContact CG1-CD2 3.44Å; V284-L298 VanDerWaalsContact CG1-CD2 3.44Å; V284-L298 HydrophobicContact CG1-CG 4.21Å; V284-W314 HydrophobicContact CB-CH2 3.98Å; V284-W314 HydrophobicContact CG1-CE3 4.39Å; V284-W314 HydrophobicContact CG1-CH2 3.57Å; V284-W314 HydrophobicContact CG1-CZ2 4.19Å; V284-W314 HydrophobicContact CG1-CZ3 3.72Å
285Q89.2Confident88.8Confident56 Ų5639 Ų3926%0.26220%0.201SC..Hα-helixtrans-61.5-42.4175.3-72.3176.622.500112.1T281 H283 A289 W314 R317T281-Q285 VanDerWaalsContact O-CG 3.29Å; T281-Q285 WeakPolarHBondContact O-CG 3.09Å; T281-Q285 PolarHBondContact O-N 3.38Å; H283-Q285 VanDerWaalsContact C-N 3.3Å; H283-Q285 PolarHBondContact O-N 2.86Å; Q285-A289 WeakPolarHBondContact O-CA 3.29Å; Q285-A289 PolarHBondContact O-N 3.38Å; Q285-W314 HydrophobicContact CG-CH2 3.87Å; Q285-W314 HydrophobicContact CG-CZ3 3.95Å; Q285-R317 VanDerWaalsContact NE2-CZ 3.33Å; Q285-R317 VanDerWaalsContact NE2-NH2 3.16Å; Q285-R317 VanDerWaalsContact OE1-NH2 3.15Å
286Y87.9Confident89.4Confident64 Ų6438.1 Ų38.125%0.25120%0.197SC..Hα-helixtrans-66.2-45.6176178.2-99.5000112.9D282 H283 V284 T407 C410D282-Y286 PolarHBondContact O-N 3.37Å; D282-Y286 VanDerWaalsContact O-N 3.15Å; H283-Y286 PolarHBondContact O-N 3.08Å; V284-Y286 VanDerWaalsContact C-N 3.34Å; V284-Y286 PolarHBondContact O-N 3.08Å; Y286-T407 WeakPolarHBondContact CE1-O 3.41Å; Y286-C410 HydrophobicContact CE1-CB 3.74Å; Y286-C410 VanDerWaalsContact CE1-SG 3.57Å
287V91.4Very high89.9Confident0 Ų037.4 Ų37.40%019%0.189CC..Hα-helixtrans-71.2-38.4-176.8171.80000111.6R258 L262 L265 H283 V284 F408R258-V287 HydrophobicContact CB-CG1 4.08Å; R258-V287 PolarHBondContact NE-O 3.32Å; R258-V287 PolarHBondContact NH2-O 3.41Å; R258-V287 VanDerWaalsContact O-CG1 3.32Å; R258-V287 WeakPolarHBondContact O-CG1 3.5Å; L262-V287 HydrophobicContact CB-CG1 4.24Å; L265-V287 HydrophobicContact CD1-CG2 3.93Å; H283-V287 WeakPolarHBondContact O-CB 3.48Å; H283-V287 VanDerWaalsContact O-CG2 3.25Å; H283-V287 WeakPolarHBondContact O-CG2 3.33Å; H283-V287 PolarHBondContact O-N 3.43Å; V284-V287 PolarHBondContact O-N 3.47Å; V287-F408 HydrophobicContact CG2-CB 3.48Å; V287-F408 VanDerWaalsContact CG2-CB 3.48Å; V287-F408 WeakPolarHBondContact CG2-O 3.43Å
288V91.9Very high90.4Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-84.9-40.9-177.91740000111.4R258 L262 V284 D290 D291 L294 Q295 L298 Y318R258-V288 PolarHBondContact NH2-O 2.92Å; L262-V288 HydrophobicContact CD1-CG2 3.88Å; L262-V288 HydrophobicContact CD2-CG2 4.12Å; V284-V288 HydrophobicContact CG1-CG2 4.01Å; V284-V288 WeakPolarHBondContact O-CB 3.49Å; V284-V288 VanDerWaalsContact O-CG2 3.29Å; V284-V288 WeakPolarHBondContact O-CG2 3.48Å; V284-V288 PolarHBondContact O-N 3.18Å; V288-D290 PolarHBondContact O-N 2.96Å; V288-D291 WeakPolarHBondContact O-CB 3.13Å; V288-D291 PolarHBondContact O-N 3.39Å; V288-L294 HydrophobicContact CB-CB 4.47Å; V288-L294 HydrophobicContact CG1-CB 4.12Å; V288-L294 HydrophobicContact CG2-CB 4.31Å; V288-Q295 HydrophobicContact CG1-CB 3.99Å; V288-Q295 HydrophobicContact CG1-CG 3.19Å; V288-L298 HydrophobicContact CG2-CB 4.44Å; V288-L298 HydrophobicContact CG2-CD2 4.39Å; V288-Y318 HydrophobicContact CG1-CE2 4.12Å
289A87.9Confident91Very high40 Ų4028.2 Ų28.233%0.33115%0.146SC..THydrogen-bonded Turntrans43.7-129.7-178.900000112.1Q285 Q295Q285-A289 WeakPolarHBondContact O-CA 3.29Å; Q285-A289 PolarHBondContact O-N 3.38Å; A289-Q295 PolarHBondContact O-NE2 2.93Å
290D88.4Confident91.6Very high145 Ų14532.1 Ų32.178%0.77517%0.165SC*.THydrogen-bonded Turntrans-90.88.1179.761.2-37.2000114.3V288 L292V288-D290 PolarHBondContact O-N 2.96Å; D290-L292 PolarHBondContact O-N 3.36Å
291D91.1Very high91.8Very high33 Ų3333.1 Ų33.118%0.17617%0.17CC..  trans-80.8101.9-178-172.4-37.3000111.1H255 R258 V288 E293 L294 Q295H255-D291 IonicContact CD2-OD2 3.63Å; R258-D291 IonicContact CZ-OD2 3.16Å; R258-D291 IonicContact NH1-OD2 3.98Å; R258-D291 PolarHBondContact NH1-OD2 3.06Å; R258-D291 VanDerWaalsContact NH1-OD2 3.09Å; V288-D291 WeakPolarHBondContact O-CB 3.13Å; V288-D291 PolarHBondContact O-N 3.39Å; D291-E293 VanDerWaalsContact C-N 3.26Å; D291-E293 PolarHBondContact O-N 3.18Å; D291-E293 PolarHBondContact OD1-N 3.39Å; D291-E293 VanDerWaalsContact OD1-N 3.11Å; D291-L294 HydrophobicContact CB-CB 4.07Å; D291-L294 HydrophobicContact CB-CD1 3.9Å; D291-L294 HydrophobicContact CB-CG 4.12Å; D291-L294 PolarHBondContact O-N 3.25Å; D291-L294 VanDerWaalsContact O-N 3.16Å; D291-L294 PolarHBondContact OD1-N 3.16Å; D291-L294 VanDerWaalsContact OD1-N 3.11Å; D291-L294 WeakPolarHBondContact OD2-CD1 3.32Å; D291-Q295 VanDerWaalsContact O-CG 3.28Å; D291-Q295 WeakPolarHBondContact O-CG 3.22Å; D291-Q295 PolarHBondContact O-N 3.23Å
292L92.7Very high92.1Very high73 Ų7331.9 Ų31.938%0.38216%0.163SC..Hα-helixtrans-55.5-39.2-177.6-178.564.1000112.9D290 Q295 V296 L320D290-L292 PolarHBondContact O-N 3.36Å; L292-Q295 PolarHBondContact O-N 3.43Å; L292-V296 WeakPolarHBondContact O-CG2 3.27Å; L292-V296 PolarHBondContact O-N 3.43Å; L292-L320 HydrophobicContact CD1-CD2 3.51Å
293E92.7Very high92.5Very high73 Ų7334 Ų3434%0.34118%0.176SC..Hα-helixtrans-67.4-43.1-179.4-68.1-57.2137.500110.5H255 D291 Q295 V296 H297 R324H255-E293 WeakPolarHBondContact NE2-CB 3.08Å; D291-E293 VanDerWaalsContact C-N 3.26Å; D291-E293 PolarHBondContact O-N 3.18Å; D291-E293 PolarHBondContact OD1-N 3.39Å; D291-E293 VanDerWaalsContact OD1-N 3.11Å; E293-Q295 VanDerWaalsContact C-N 3.33Å; E293-Q295 PolarHBondContact O-N 3.07Å; E293-V296 PolarHBondContact O-N 3Å; E293-H297 PolarHBondContact O-N 3.08Å; E293-H297 PolarHBondContact O-ND1 3.02Å; E293-R324 IonicContact OE1-CZ 3.74Å; E293-R324 VanDerWaalsContact OE1-CZ 3.29Å; E293-R324 IonicContact OE1-NH1 2.79Å; E293-R324 PolarHBondContact OE1-NH1 3.05Å; E293-R324 IonicContact OE1-NH2 3.55Å; E293-R324 PolarHBondContact OE1-NH2 3.44Å; E293-R324 IonicContact OE2-CZ 3.4Å; E293-R324 IonicContact OE2-NH2 3.94Å; E293-R324 PolarHBondContact OE2-NH2 3.17Å
294L94.3Very high92.6Very high0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-65.9-34174.2-67.2177.6000113R258 L259 V288 D291 H297 L298R258-L294 HydrophobicContact CB-CD1 3.54Å; R258-L294 HydrophobicContact CB-CD2 4.45Å; R258-L294 HydrophobicContact CG-CD1 4.4Å; R258-L294 VanDerWaalsContact CZ-CD1 3.45Å; L259-L294 HydrophobicContact CB-CD2 3.77Å; L259-L294 HydrophobicContact CD1-CD2 4.15Å; V288-L294 HydrophobicContact CB-CB 4.47Å; V288-L294 HydrophobicContact CG1-CB 4.12Å; V288-L294 HydrophobicContact CG2-CB 4.31Å; D291-L294 HydrophobicContact CB-CB 4.07Å; D291-L294 HydrophobicContact CB-CD1 3.9Å; D291-L294 HydrophobicContact CB-CG 4.12Å; D291-L294 PolarHBondContact O-N 3.25Å; D291-L294 VanDerWaalsContact O-N 3.16Å; D291-L294 PolarHBondContact OD1-N 3.16Å; D291-L294 VanDerWaalsContact OD1-N 3.11Å; D291-L294 WeakPolarHBondContact OD2-CD1 3.32Å; L294-H297 PolarHBondContact O-N 3.39Å; L294-L298 WeakPolarHBondContact O-CB 3.42Å; L294-L298 PolarHBondContact O-N 3.12Å
295Q95.4Very high92.5Very high18 Ų1846 Ų468%0.08423%0.226CC..Hα-helixtrans-63.8-42.7175.4-66.9166.52.500111.2V288 A289 D291 L292 E293 L298 V299 Y318 L320V288-Q295 HydrophobicContact CG1-CB 3.99Å; V288-Q295 HydrophobicContact CG1-CG 3.19Å; A289-Q295 PolarHBondContact O-NE2 2.93Å; D291-Q295 VanDerWaalsContact O-CG 3.28Å; D291-Q295 WeakPolarHBondContact O-CG 3.22Å; D291-Q295 PolarHBondContact O-N 3.23Å; L292-Q295 PolarHBondContact O-N 3.43Å; E293-Q295 VanDerWaalsContact C-N 3.33Å; E293-Q295 PolarHBondContact O-N 3.07Å; Q295-L298 WeakPolarHBondContact O-CB 3.36Å; Q295-L298 PolarHBondContact O-N 3.17Å; Q295-V299 PolarHBondContact O-N 3.35Å; Q295-Y318 HydrophobicContact CB-CD2 4.04Å; Q295-Y318 HydrophobicContact CB-CG 4.21Å; Q295-Y318 HydrophobicContact CG-CD1 3.92Å; Q295-Y318 HydrophobicContact CG-CD2 3.78Å; Q295-Y318 HydrophobicContact CG-CE1 4.24Å; Q295-Y318 HydrophobicContact CG-CE2 4.06Å; Q295-Y318 HydrophobicContact CG-CG 3.69Å; Q295-L320 HydrophobicContact CB-CD1 4.45Å; Q295-L320 HydrophobicContact CB-CD2 3.83Å
296V95.1Very high92.5Very high5 Ų545.3 Ų45.33%0.0323%0.227CC..Hα-helixtrans-63.3-49.1174.7172.20000110.7L292 E293 L298 V299 E300 L320 R324L292-V296 WeakPolarHBondContact O-CG2 3.27Å; L292-V296 PolarHBondContact O-N 3.43Å; E293-V296 PolarHBondContact O-N 3Å; V296-L298 VanDerWaalsContact C-N 3.29Å; V296-L298 PolarHBondContact O-N 3.31Å; V296-V299 WeakPolarHBondContact O-CB 3.49Å; V296-V299 PolarHBondContact O-N 3.07Å; V296-E300 PolarHBondContact O-N 3.08Å; V296-E300 VanDerWaalsContact O-N 3.08Å; V296-L320 HydrophobicContact CG2-CD1 4.3Å; V296-L320 HydrophobicContact CG2-CD2 4.25Å; V296-R324 HydrophobicContact CG2-CB 3.96Å
297H94.6Very high92.6Very high44 Ų4444.4 Ų44.420%0.20423%0.23CC..Hα-helixtrans-61.1-35.1178-76.589000112.9L259 E293 L294 V299 E300 L301L259-H297 HydrophobicContact CD1-CB 3.89Å; E293-H297 PolarHBondContact O-N 3.08Å; E293-H297 PolarHBondContact O-ND1 3.02Å; L294-H297 PolarHBondContact O-N 3.39Å; H297-V299 VanDerWaalsContact C-N 3.34Å; H297-E300 IonicContact CD2-OE2 2.65Å; H297-E300 PolarHBondContact O-N 2.97Å; H297-L301 WeakPolarHBondContact O-CB 3.18Å; H297-L301 WeakPolarHBondContact O-CG 3.28Å; H297-L301 PolarHBondContact O-N 3.43Å
298L96Very high92.7Very high0 Ų047.6 Ų47.60%025%0.247CC..Hα-helixtrans-58.9-47.2173.4167.265.9000110.8L262 V266 W280 V284 V288 L294 Q295 V296 L301 L302 W314 Y318L262-L298 HydrophobicContact CD1-CB 4.39Å; L262-L298 HydrophobicContact CD1-CD1 3.92Å; L262-L298 HydrophobicContact CD2-CB 4.04Å; V266-L298 HydrophobicContact CG2-CD1 4.48Å; W280-L298 HydrophobicContact CH2-CD1 4.4Å; W280-L298 HydrophobicContact CZ2-CD1 3.95Å; V284-L298 HydrophobicContact CG1-CD1 3.75Å; V284-L298 HydrophobicContact CG1-CD2 3.44Å; V284-L298 VanDerWaalsContact CG1-CD2 3.44Å; V284-L298 HydrophobicContact CG1-CG 4.21Å; V288-L298 HydrophobicContact CG2-CB 4.44Å; V288-L298 HydrophobicContact CG2-CD2 4.39Å; L294-L298 WeakPolarHBondContact O-CB 3.42Å; L294-L298 PolarHBondContact O-N 3.12Å; Q295-L298 WeakPolarHBondContact O-CB 3.36Å; Q295-L298 PolarHBondContact O-N 3.17Å; V296-L298 VanDerWaalsContact C-N 3.29Å; V296-L298 PolarHBondContact O-N 3.31Å; L298-L301 PolarHBondContact O-N 3.41Å; L298-L302 HydrophobicContact CD1-CD1 3.88Å; L298-L302 HydrophobicContact CD1-CG 3.97Å; L298-L302 HydrophobicContact CG-CD1 3.98Å; L298-L302 HydrophobicContact CG-CG 4.44Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 3.45Å; L298-W314 HydrophobicContact CD2-CB 4.34Å; L298-W314 HydrophobicContact CD2-CD2 3.73Å; L298-W314 HydrophobicContact CD2-CE3 3.45Å; L298-W314 VanDerWaalsContact CD2-CE3 3.45Å; L298-W314 HydrophobicContact CD2-CG 4.16Å; L298-W314 HydrophobicContact CD2-CZ3 3.97Å; L298-Y318 HydrophobicContact CD2-CE2 3.83Å
299V95.4Very high92.6Very high3 Ų352.7 Ų52.72%0.01827%0.266CS..Hα-helixtrans-62.4-45.1-179.41720000110.4Q295 V296 H297 L301 L302 V303 A311 W314 L320 V329Q295-V299 PolarHBondContact O-N 3.35Å; V296-V299 WeakPolarHBondContact O-CB 3.49Å; V296-V299 PolarHBondContact O-N 3.07Å; H297-V299 VanDerWaalsContact C-N 3.34Å; V299-L301 VanDerWaalsContact C-N 3.34Å; V299-L301 PolarHBondContact O-N 3.32Å; V299-L302 PolarHBondContact O-N 3.13Å; V299-L302 VanDerWaalsContact O-N 3.15Å; V299-V303 WeakPolarHBondContact O-CG2 3.22Å; V299-V303 PolarHBondContact O-N 3.49Å; V299-A311 HydrophobicContact CG1-CB 4.12Å; V299-W314 HydrophobicContact CG2-CB 4.42Å; V299-L320 HydrophobicContact CB-CD1 4.45Å; V299-L320 HydrophobicContact CG2-CD1 3.68Å; V299-V329 HydrophobicContact CG1-CG1 4.15Å; V299-V329 HydrophobicContact CG1-CG2 4.12Å
300E94.8Very high92.7Very high88 Ų8852.3 Ų52.341%0.41126%0.257SS..Hα-helixtrans-57.7-45.4174.4-67.9174.9172.300112.4V296 H297 L302 V303 K304 S326V296-E300 PolarHBondContact O-N 3.08Å; V296-E300 VanDerWaalsContact O-N 3.08Å; H297-E300 IonicContact CD2-OE2 2.65Å; H297-E300 PolarHBondContact O-N 2.97Å; E300-L302 VanDerWaalsContact C-N 3.31Å; E300-L302 PolarHBondContact O-N 2.82Å; E300-V303 PolarHBondContact O-N 2.97Å; E300-K304 PolarHBondContact O-N 3.32Å; E300-K304 VanDerWaalsContact O-N 3.12Å; E300-S326 WeakPolarHBondContact CG-OG 3.39Å
301L94.7Very high93Very high22 Ų2245.4 Ų45.412%0.11522%0.22CC..Hα-helixtrans-63.1-38176.9-73.8171.8000111.7L262 R263 V266 H297 L298 V299 K304 Y305L262-L301 HydrophobicContact CD2-CD1 4.12Å; L262-L301 HydrophobicContact CG-CD1 3.97Å; R263-L301 HydrophobicContact CG-CD1 3.96Å; R263-L301 HydrophobicContact CG-CD2 4.27Å; V266-L301 HydrophobicContact CG1-CB 4.28Å; V266-L301 HydrophobicContact CG2-CB 4.2Å; V266-L301 HydrophobicContact CG2-CD1 4.33Å; H297-L301 WeakPolarHBondContact O-CB 3.18Å; H297-L301 WeakPolarHBondContact O-CG 3.28Å; H297-L301 PolarHBondContact O-N 3.43Å; L298-L301 PolarHBondContact O-N 3.41Å; V299-L301 VanDerWaalsContact C-N 3.34Å; V299-L301 PolarHBondContact O-N 3.32Å; L301-K304 PolarHBondContact O-N 3.17Å; L301-Y305 HydrophobicContact CD2-CD2 4.16Å; L301-Y305 HydrophobicContact CD2-CE2 3.87Å; L301-Y305 WeakPolarHBondContact O-CD2 3.2Å; L301-Y305 PolarHBondContact O-N 3.07Å
302L94.3Very high93Very high0 Ų043.9 Ų43.90%021%0.211CC..Hα-helixtrans-69.1-37.2177.4-74.1173.1000112.9F270 W280 L298 V299 E300 K304 S306 S307 A311 W314F270-L302 HydrophobicContact CD2-CD2 4.5Å; F270-L302 HydrophobicContact CE2-CD2 3.67Å; F270-L302 HydrophobicContact CZ-CD2 4.05Å; W280-L302 HydrophobicContact CH2-CD1 4.26Å; W280-L302 HydrophobicContact CH2-CD2 3.71Å; W280-L302 HydrophobicContact CH2-CG 4.48Å; W280-L302 HydrophobicContact CZ2-CD2 3.78Å; L298-L302 HydrophobicContact CD1-CD1 3.88Å; L298-L302 HydrophobicContact CD1-CG 3.97Å; L298-L302 HydrophobicContact CG-CD1 3.98Å; L298-L302 HydrophobicContact CG-CG 4.44Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 3.45Å; V299-L302 PolarHBondContact O-N 3.13Å; V299-L302 VanDerWaalsContact O-N 3.15Å; E300-L302 VanDerWaalsContact C-N 3.31Å; E300-L302 PolarHBondContact O-N 2.82Å; L302-K304 VanDerWaalsContact C-N 3.25Å; L302-K304 PolarHBondContact O-N 3.06Å; L302-S306 CarbonylContact O-C 3.4Å; L302-S306 VanDerWaalsContact O-CA 3.31Å; L302-S306 WeakPolarHBondContact O-CA 3.48Å; L302-S306 WeakPolarHBondContact O-CB 3.3Å; L302-S306 PolarHBondContact O-N 3.44Å; L302-S307 PolarHBondContact O-N 3.38Å; L302-S307 VanDerWaalsContact O-N 3.15Å; L302-A311 HydrophobicContact CB-CB 3.87Å; L302-W314 HydrophobicContact CD1-CB 3.82Å; L302-W314 HydrophobicContact CD1-CD2 4.43Å; L302-W314 HydrophobicContact CD1-CG 3.56Å
303V93.9Very high93Very high51 Ų5141.2 Ų41.231%0.30920%0.197SC..Hα-helixtrans-60.1-41.3171.4175.60000110.3V299 E300 L308 A311 V329V299-V303 WeakPolarHBondContact O-CG2 3.22Å; V299-V303 PolarHBondContact O-N 3.49Å; E300-V303 PolarHBondContact O-N 2.97Å; V303-L308 HydrophobicContact CG1-CD2 4.04Å; V303-L308 HydrophobicContact CG2-CD2 4.04Å; V303-A311 HydrophobicContact CG2-CB 3.55Å; V303-V329 HydrophobicContact CG2-CG2 3.56Å
304K91.6Very high93Very high150 Ų15037.8 Ų37.865%0.65218%0.181SC*.Hα-helixtrans-74.1-43.6-177.2-177.4171.8177.5175.30114.2E300 L301 L302E300-K304 PolarHBondContact O-N 3.32Å; E300-K304 VanDerWaalsContact O-N 3.12Å; L301-K304 PolarHBondContact O-N 3.17Å; L302-K304 VanDerWaalsContact C-N 3.25Å; L302-K304 PolarHBondContact O-N 3.06Å
305Y88.9Confident92.9Very high102 Ų10237.8 Ų37.840%0.418%0.181SC..Hα-helixtrans-110-12.5-168.7-68.4-76.7000114.4V266 F270 L301V266-Y305 HydrophobicContact CG1-CD2 3.82Å; V266-Y305 HydrophobicContact CG1-CG 3.99Å; F270-Y305 WeakPolarHBondContact CB-O 3.41Å; L301-Y305 HydrophobicContact CD2-CD2 4.16Å; L301-Y305 HydrophobicContact CD2-CE2 3.87Å; L301-Y305 WeakPolarHBondContact O-CD2 3.2Å; L301-Y305 PolarHBondContact O-N 3.07Å
306S89.9Confident92.7Very high41 Ų4139.9 Ų39.929%0.28719%0.193SC..SBendtrans-126.5-107-174.1-171.30000111.2F270 L302 K310F270-S306 VanDerWaalsContact CE1-OG 3.31Å; F270-S306 WeakPolarHBondContact CE1-OG 3.48Å; L302-S306 CarbonylContact O-C 3.4Å; L302-S306 VanDerWaalsContact O-CA 3.31Å; L302-S306 WeakPolarHBondContact O-CA 3.48Å; L302-S306 WeakPolarHBondContact O-CB 3.3Å; L302-S306 PolarHBondContact O-N 3.44Å; S306-K310 WeakPolarHBondContact OG-CD 3.32Å
307S90.4Very high92.4Very high45 Ų4545.4 Ų45.432%0.31521%0.213SC..  trans-149.5151-179.963.20000111.2L302 R309 K310 A311L302-S307 PolarHBondContact O-N 3.38Å; L302-S307 VanDerWaalsContact O-N 3.15Å; S307-R309 PolarHBondContact O-N 3.26Å; S307-K310 PolarHBondContact O-N 3.29Å; S307-K310 VanDerWaalsContact O-N 3.16Å; S307-K310 PolarHBondContact OG-N 3.48Å; S307-A311 PolarHBondContact O-N 3.35Å
308L92.3Very high92.3Very high66 Ų6645.2 Ų45.235%0.34621%0.211SC..Hα-helixtrans-54.3-38.1172.4-78.2169.3000111.6V303 A311 S312 V329 M332V303-L308 HydrophobicContact CG1-CD2 4.04Å; V303-L308 HydrophobicContact CG2-CD2 4.04Å; L308-A311 PolarHBondContact O-N 2.88Å; L308-S312 WeakPolarHBondContact O-CB 3.48Å; L308-S312 PolarHBondContact O-N 2.93Å; L308-S312 PolarHBondContact O-OG 2.79Å; L308-V329 HydrophobicContact CD2-CG2 4.18Å; L308-M332 HydrophobicContact CB-CE 4.3Å; L308-M332 HydrophobicContact CB-CG 4.41Å
309R90.6Very high92.1Very high108 Ų10852 Ų5241%0.40825%0.247SC..Hα-helixtrans-57.2-51.9176.3-176.8176.7-167.6-169.84.5112.3S307 S312 Q313 L336 L340S307-R309 PolarHBondContact O-N 3.26Å; R309-S312 PolarHBondContact O-N 3.42Å; R309-Q313 WeakPolarHBondContact O-CG 3.47Å; R309-Q313 PolarHBondContact O-N 3.16Å; R309-L336 HydrophobicContact CG-CD2 3.98Å; R309-L340 VanDerWaalsContact NH2-CG 3.33Å
310K90.3Very high92Very high32 Ų3252.4 Ų52.414%0.13925%0.249CC..Hα-helixtrans-64.2-43178.6-77.9-172.5168.7-150.30111.3F270 E277 S306 S307 S312 Q313 W314F270-K310 HydrophobicContact CE1-CD 4.3Å; F270-K310 HydrophobicContact CZ-CD 4.37Å; E277-K310 IonicContact OE1-NZ 3.77Å; E277-K310 PolarHBondContact OE1-NZ 3.3Å; E277-K310 IonicContact OE2-NZ 2.66Å; E277-K310 PolarHBondContact OE2-NZ 3.25Å; S306-K310 WeakPolarHBondContact OG-CD 3.32Å; S307-K310 PolarHBondContact O-N 3.29Å; S307-K310 VanDerWaalsContact O-N 3.16Å; S307-K310 PolarHBondContact OG-N 3.48Å; K310-S312 VanDerWaalsContact C-N 3.26Å; K310-S312 PolarHBondContact O-N 2.98Å; K310-Q313 PolarHBondContact O-N 3.45Å; K310-W314 VanDerWaalsContact O-CD1 3.26Å; K310-W314 PolarHBondContact O-N 3.02Å
311A93.4Very high91.9Very high0 Ų050.7 Ų50.70%025%0.245CC..Hα-helixtrans-55.4-43.417500000111.7V299 L302 V303 S307 L308 W314 S315 V329V299-A311 HydrophobicContact CG1-CB 4.12Å; L302-A311 HydrophobicContact CB-CB 3.87Å; V303-A311 HydrophobicContact CG2-CB 3.55Å; S307-A311 PolarHBondContact O-N 3.35Å; L308-A311 PolarHBondContact O-N 2.88Å; A311-W314 PolarHBondContact O-N 2.96Å; A311-S315 PolarHBondContact O-N 2.92Å; A311-S315 PolarHBondContact O-OG 3.5Å; A311-S315 VanDerWaalsContact O-OG 3.08Å; A311-V329 HydrophobicContact CB-CG2 4.17Å
312S92.8Very high91.7Very high0 Ų055.8 Ų55.80%027%0.267CS..Hα-helixtrans-65.8-38.6175.9-630000113.9L308 R309 K310 S315 L316 V329 M332L308-S312 WeakPolarHBondContact O-CB 3.48Å; L308-S312 PolarHBondContact O-N 2.93Å; L308-S312 PolarHBondContact O-OG 2.79Å; R309-S312 PolarHBondContact O-N 3.42Å; K310-S312 VanDerWaalsContact C-N 3.26Å; K310-S312 PolarHBondContact O-N 2.98Å; S312-S315 VanDerWaalsContact CA-OG 3.28Å; S312-S315 WeakPolarHBondContact CA-OG 3.31Å; S312-S315 PolarHBondContact O-OG 3.22Å; S312-L316 WeakPolarHBondContact O-CB 3.45Å; S312-L316 VanDerWaalsContact O-CG 3.28Å; S312-L316 WeakPolarHBondContact O-CG 3.1Å; S312-L316 PolarHBondContact O-N 2.98Å; S312-V329 PolarHBondContact OG-O 3.37Å; S312-M332 VanDerWaalsContact OG-CB 3.22Å; S312-M332 WeakPolarHBondContact OG-CB 3.39Å; S312-M332 WeakPolarHBondContact OG-CG 3.49Å
313Q91.4Very high91.6Very high17 Ų1762.2 Ų62.28%0.07930%0.301CS..Hα-helixtrans-66.2-41.3175.9-66.6171.4-40.200111.7R309 K310 L316 R317 L336 L340 Q342 I343R309-Q313 WeakPolarHBondContact O-CG 3.47Å; R309-Q313 PolarHBondContact O-N 3.16Å; K310-Q313 PolarHBondContact O-N 3.45Å; Q313-L316 PolarHBondContact O-N 2.62Å; Q313-R317 PolarHBondContact O-N 3.31Å; Q313-L336 HydrophobicContact CG-CD1 4.49Å; Q313-L340 WeakPolarHBondContact CG-O 3.3Å; Q313-L340 PolarHBondContact NE2-O 3.37Å; Q313-Q342 PolarHBondContact NE2-O 3.21Å; Q313-I343 HydrophobicContact CB-CG1 3.55Å
314W92.1Very high91.6Very high2 Ų263.4 Ų63.41%0.00830%0.3CS..Hα-helixtrans-68.5-38.2176.7-80.890.1000112.9W280 T281 V284 Q285 L298 V299 L302 K310 A311 R317 Y318 I343W280-W314 HydrophobicContact CE3-CZ2 4.28Å; W280-W314 HydrophobicContact CH2-CD2 4.5Å; W280-W314 AromaticContact CH2-CE2 3.52Å; W280-W314 AromaticContact CH2-CZ2 3.59Å; W280-W314 HydrophobicContact CH2-CZ2 3.59Å; W280-W314 AromaticContact CH2-NE1 3.35Å; W280-W314 VanDerWaalsContact CH2-NE1 3.35Å; W280-W314 AromaticContact CZ3-CE2 3.64Å; W280-W314 AromaticContact CZ3-CZ2 3.42Å; W280-W314 HydrophobicContact CZ3-CZ2 3.42Å; W280-W314 VanDerWaalsContact CZ3-CZ2 3.42Å; W280-W314 AromaticContact CZ3-NE1 3.46Å; T281-W314 HydrophobicContact CG2-CH2 4Å; T281-W314 HydrophobicContact CG2-CZ2 3.94Å; V284-W314 HydrophobicContact CB-CH2 3.98Å; V284-W314 HydrophobicContact CG1-CE3 4.39Å; V284-W314 HydrophobicContact CG1-CH2 3.57Å; V284-W314 HydrophobicContact CG1-CZ2 4.19Å; V284-W314 HydrophobicContact CG1-CZ3 3.72Å; Q285-W314 HydrophobicContact CG-CH2 3.87Å; Q285-W314 HydrophobicContact CG-CZ3 3.95Å; L298-W314 HydrophobicContact CD2-CB 4.34Å; L298-W314 HydrophobicContact CD2-CD2 3.73Å; L298-W314 HydrophobicContact CD2-CE3 3.45Å; L298-W314 VanDerWaalsContact CD2-CE3 3.45Å; L298-W314 HydrophobicContact CD2-CG 4.16Å; L298-W314 HydrophobicContact CD2-CZ3 3.97Å; V299-W314 HydrophobicContact CG2-CB 4.42Å; L302-W314 HydrophobicContact CD1-CB 3.82Å; L302-W314 HydrophobicContact CD1-CD2 4.43Å; L302-W314 HydrophobicContact CD1-CG 3.56Å; K310-W314 VanDerWaalsContact O-CD1 3.26Å; K310-W314 PolarHBondContact O-N 3.02Å; A311-W314 PolarHBondContact O-N 2.96Å; W314-R317 PolarHBondContact O-N 3.38Å; W314-Y318 HydrophobicContact CE3-CD2 4.15Å; W314-Y318 AromaticContact CE3-CE2 3.4Å; W314-Y318 HydrophobicContact CE3-CE2 3.4Å; W314-Y318 AromaticContact CZ3-CE2 3.72Å; W314-Y318 HydrophobicContact CZ3-CE2 3.72Å; W314-Y318 AromaticContact CZ3-CZ 3.86Å; W314-Y318 WeakPolarHBondContact CZ3-OH 3.45Å; W314-Y318 WeakPolarHBondContact O-CD2 3.09Å; W314-Y318 PolarHBondContact O-N 3.33Å; W314-I343 HydrophobicContact CB-CD1 4.11Å; W314-I343 HydrophobicContact CD2-CD1 3.34Å; W314-I343 HydrophobicContact CE3-CD1 3.66Å; W314-I343 HydrophobicContact CG-CD1 3.51Å; W314-I343 HydrophobicContact CG-CG1 4.39Å; W314-I343 HydrophobicContact CZ2-CD1 4.27Å; W314-I343 HydrophobicContact CZ2-CG2 4.37Å; W314-I343 HydrophobicContact CZ3-CD1 4.29Å
315S93.2Very high91.6Very high0 Ų057.4 Ų57.40%028%0.275CS..Hα-helixtrans-67.9-34.9174.354.70000112.9A311 S312 N319 L320 V329 Q333A311-S315 PolarHBondContact O-N 2.92Å; A311-S315 PolarHBondContact O-OG 3.5Å; A311-S315 VanDerWaalsContact O-OG 3.08Å; S312-S315 VanDerWaalsContact CA-OG 3.28Å; S312-S315 WeakPolarHBondContact CA-OG 3.31Å; S312-S315 PolarHBondContact O-OG 3.22Å; S315-N319 PolarHBondContact O-N 3.39Å; S315-N319 VanDerWaalsContact O-N 3.1Å; S315-L320 PolarHBondContact O-N 3Å; S315-V329 WeakPolarHBondContact OG-CG1 3.4Å; S315-Q333 PolarHBondContact OG-NE2 3.03Å
316L91.3Very high91.7Very high62 Ų6253.9 Ų53.933%0.32527%0.265SS..Hα-helixtrans-65.4-44.4171.9-74170.3000111.6S312 Q313 Y318 N319 Q333 Q341S312-L316 WeakPolarHBondContact O-CB 3.45Å; S312-L316 VanDerWaalsContact O-CG 3.28Å; S312-L316 WeakPolarHBondContact O-CG 3.1Å; S312-L316 PolarHBondContact O-N 2.98Å; Q313-L316 PolarHBondContact O-N 2.62Å; L316-Y318 VanDerWaalsContact C-N 3.3Å; L316-Y318 PolarHBondContact O-N 3.22Å; L316-N319 PolarHBondContact O-N 2.84Å; L316-N319 VanDerWaalsContact O-N 3.09Å; L316-Q333 HydrophobicContact CD1-CG 4.23Å; L316-Q333 HydrophobicContact CD2-CB 4.46Å; L316-Q333 HydrophobicContact CD2-CG 4.14Å; L316-Q333 HydrophobicContact CG-CG 3.9Å; L316-Q341 HydrophobicContact CD1-CB 3.82Å; L316-Q341 HydrophobicContact CD1-CG 3.85Å
317R89Confident91.7Very high121 Ų12159.9 Ų59.946%0.45729%0.289SS..Hα-helixtrans-57.3-42.7178.7172.8176.3-176.481.9-0.1112.8Q285 Q313 W314 N319 I343Q285-R317 VanDerWaalsContact NE2-CZ 3.33Å; Q285-R317 VanDerWaalsContact NE2-NH2 3.16Å; Q285-R317 VanDerWaalsContact OE1-NH2 3.15Å; Q313-R317 PolarHBondContact O-N 3.31Å; W314-R317 PolarHBondContact O-N 3.38Å; R317-N319 VanDerWaalsContact C-N 3.32Å; R317-I343 HydrophobicContact CB-CD1 3.65Å; R317-I343 HydrophobicContact CB-CG1 4.46Å; R317-I343 HydrophobicContact CG-CD1 4.13Å
318Y91.5Very high91.7Very high39 Ų3958.7 Ų58.715%0.15328%0.283CS..THydrogen-bonded Turntrans-89.51.8-179.8-68.3-55.8000113.6V288 Q295 L298 W314 L316 L320V288-Y318 HydrophobicContact CG1-CE2 4.12Å; Q295-Y318 HydrophobicContact CB-CD2 4.04Å; Q295-Y318 HydrophobicContact CB-CG 4.21Å; Q295-Y318 HydrophobicContact CG-CD1 3.92Å; Q295-Y318 HydrophobicContact CG-CD2 3.78Å; Q295-Y318 HydrophobicContact CG-CE1 4.24Å; Q295-Y318 HydrophobicContact CG-CE2 4.06Å; Q295-Y318 HydrophobicContact CG-CG 3.69Å; L298-Y318 HydrophobicContact CD2-CE2 3.83Å; W314-Y318 HydrophobicContact CE3-CD2 4.15Å; W314-Y318 AromaticContact CE3-CE2 3.4Å; W314-Y318 HydrophobicContact CE3-CE2 3.4Å; W314-Y318 AromaticContact CZ3-CE2 3.72Å; W314-Y318 HydrophobicContact CZ3-CE2 3.72Å; W314-Y318 AromaticContact CZ3-CZ 3.86Å; W314-Y318 WeakPolarHBondContact CZ3-OH 3.45Å; W314-Y318 WeakPolarHBondContact O-CD2 3.09Å; W314-Y318 PolarHBondContact O-N 3.33Å; L316-Y318 VanDerWaalsContact C-N 3.3Å; L316-Y318 PolarHBondContact O-N 3.22Å; Y318-L320 VanDerWaalsContact C-N 3.3Å; Y318-L320 PolarHBondContact O-N 3.23Å
319N91.8Very high91.8Very high144 Ų14455.5 Ų55.577%0.7727%0.267SS*.THydrogen-bonded Turntrans51.748-178.2-168.337.3000112.5S315 L316 R317S315-N319 PolarHBondContact O-N 3.39Å; S315-N319 VanDerWaalsContact O-N 3.1Å; L316-N319 PolarHBondContact O-N 2.84Å; L316-N319 VanDerWaalsContact O-N 3.09Å; R317-N319 VanDerWaalsContact C-N 3.32Å
320L93.4Very high91.8Very high10 Ų1054.3 Ų54.35%0.05226%0.263CS..  trans-70.4138-176.6-67.6-175.1000111.8L292 Q295 V296 V299 S315 Y318 L325L292-L320 HydrophobicContact CD1-CD2 3.51Å; Q295-L320 HydrophobicContact CB-CD1 4.45Å; Q295-L320 HydrophobicContact CB-CD2 3.83Å; V296-L320 HydrophobicContact CG2-CD1 4.3Å; V296-L320 HydrophobicContact CG2-CD2 4.25Å; V299-L320 HydrophobicContact CB-CD1 4.45Å; V299-L320 HydrophobicContact CG2-CD1 3.68Å; S315-L320 PolarHBondContact O-N 3Å; Y318-L320 VanDerWaalsContact C-N 3.3Å; Y318-L320 PolarHBondContact O-N 3.23Å; L320-L325 HydrophobicContact CB-CD2 3.8Å; L320-L325 HydrophobicContact CD1-CD2 4.24Å
321P92.4Very high91.9Very high52 Ų5257.7 Ų57.734%0.33828%0.279SS..  trans-71.8145.6-179.332.5-36.7000111.1D323 R324P321-D323 VanDerWaalsContact C-N 3.29Å; P321-D323 WeakPolarHBondContact CB-OD1 3.42Å; P321-D323 PolarHBondContact O-N 3.08Å; P321-R324 HydrophobicContact CG-CB 4.03Å; P321-R324 HydrophobicContact CG-CG 3.62Å; P321-R324 PolarHBondContact O-N 2.93Å
322K90.9Very high91.8Very high129 Ų12960.3 Ų60.356%0.56129%0.292SS*.G310 helixtrans-56-39.3-171.3179.6-176.6176.5-174.30113.6R324 L325 W330K322-R324 PolarHBondContact O-N 3.29Å; K322-L325 PolarHBondContact O-N 3.25Å; K322-W330 HydrophobicContact CB-CD2 4.47Å; K322-W330 HydrophobicContact CB-CE3 4.04Å; K322-W330 HydrophobicContact CB-CZ3 4.15Å; K322-W330 HydrophobicContact CD-CD2 3.83Å; K322-W330 HydrophobicContact CD-CE3 4.21Å; K322-W330 HydrophobicContact CD-CG 4.24Å; K322-W330 HydrophobicContact CD-CH2 4.42Å; K322-W330 HydrophobicContact CD-CZ2 4.07Å; K322-W330 HydrophobicContact CD-CZ3 4.49Å; K322-W330 HydrophobicContact CG-CD2 3.79Å; K322-W330 HydrophobicContact CG-CE3 3.84Å; K322-W330 HydrophobicContact CG-CG 4.13Å; K322-W330 HydrophobicContact CG-CZ3 4.34Å
323D92.9Very high91.7Very high135 Ų13560.9 Ų60.972%0.72229%0.294SS*.G310 helixtrans-67.2-15.6-179.159-64.2000113.5P321P321-D323 VanDerWaalsContact C-N 3.29Å; P321-D323 WeakPolarHBondContact CB-OD1 3.42Å; P321-D323 PolarHBondContact O-N 3.08Å
324R93.1Very high91.5Very high76 Ų7666.1 Ų66.129%0.28732%0.319SS..G310 helixtrans-100.31.8177.9-59.4-68.4-58.1-104.7-2.3113.1E293 V296 P321 K322E293-R324 IonicContact OE1-CZ 3.74Å; E293-R324 VanDerWaalsContact OE1-CZ 3.29Å; E293-R324 IonicContact OE1-NH1 2.79Å; E293-R324 PolarHBondContact OE1-NH1 3.05Å; E293-R324 IonicContact OE1-NH2 3.55Å; E293-R324 PolarHBondContact OE1-NH2 3.44Å; E293-R324 IonicContact OE2-CZ 3.4Å; E293-R324 IonicContact OE2-NH2 3.94Å; E293-R324 PolarHBondContact OE2-NH2 3.17Å; V296-R324 HydrophobicContact CG2-CB 3.96Å; P321-R324 HydrophobicContact CG-CB 4.03Å; P321-R324 HydrophobicContact CG-CG 3.62Å; P321-R324 PolarHBondContact O-N 2.93Å; K322-R324 PolarHBondContact O-N 3.29Å
325L92.8Very high91.3Very high24 Ų2469.8 Ų69.813%0.12635%0.345CS..SBendtrans-88.2142.1-178.3-61.7-179.4000112L320 K322 V329 W330L320-L325 HydrophobicContact CB-CD2 3.8Å; L320-L325 HydrophobicContact CD1-CD2 4.24Å; K322-L325 PolarHBondContact O-N 3.25Å; L325-V329 HydrophobicContact CB-CB 4.35Å; L325-V329 HydrophobicContact CD1-CG1 4.35Å; L325-V329 HydrophobicContact CD2-CG1 4.25Å; L325-W330 HydrophobicContact CD1-CB 4.21Å; L325-W330 HydrophobicContact CD1-CE3 3.96Å
326S90.8Very high91Very high29 Ų2970.3 Ų70.320%0.20335%0.348CS..PPolyproline II helixtrans-64.5153.9170.7-44.40000111.8E300 G328 V329E300-S326 WeakPolarHBondContact CG-OG 3.39Å; S326-G328 PolarHBondContact O-N 3.31Å; S326-V329 WeakPolarHBondContact O-CB 3.4Å; S326-V329 WeakPolarHBondContact O-CG2 3.32Å; S326-V329 PolarHBondContact O-N 2.96Å; S326-V329 VanDerWaalsContact O-N 3.14Å
327Q90.2Very high90.6Very high166 Ų16670.1 Ų70.178%0.77635%0.35SS*.THydrogen-bonded Turntrans-52.9131.5179.1-169.76531.300111.8V329Q327-V329 VanDerWaalsContact C-N 3.31Å; Q327-V329 PolarHBondContact O-N 3.38Å
328G89.9Confident90.1Very high20 Ų2069.2 Ų69.221%0.20636%0.36CS..THydrogen-bonded Turntrans88.1-17178.700000114.9S326 E331 M332S326-G328 PolarHBondContact O-N 3.31Å; G328-E331 VanDerWaalsContact C-OE2 3.31Å; G328-E331 WeakPolarHBondContact CA-OE2 3.43Å; G328-E331 PolarHBondContact N-OE2 3.43Å; G328-M332 VanDerWaalsContact O-CB 3.3Å; G328-M332 WeakPolarHBondContact O-CB 3.23Å; G328-M332 PolarHBondContact O-N 3.35Å; G328-M332 VanDerWaalsContact O-N 3.13Å
329V93.2Very high89.3Confident0 Ų071.9 Ų71.90%038%0.377CS..Hα-helixtrans-69.9-41.6-178.7176.90000110.8V299 V303 L308 A311 S312 S315 L325 S326 Q327 M332 Q333V299-V329 HydrophobicContact CG1-CG1 4.15Å; V299-V329 HydrophobicContact CG1-CG2 4.12Å; V303-V329 HydrophobicContact CG2-CG2 3.56Å; L308-V329 HydrophobicContact CD2-CG2 4.18Å; A311-V329 HydrophobicContact CB-CG2 4.17Å; S312-V329 PolarHBondContact OG-O 3.37Å; S315-V329 WeakPolarHBondContact OG-CG1 3.4Å; L325-V329 HydrophobicContact CB-CB 4.35Å; L325-V329 HydrophobicContact CD1-CG1 4.35Å; L325-V329 HydrophobicContact CD2-CG1 4.25Å; S326-V329 WeakPolarHBondContact O-CB 3.4Å; S326-V329 WeakPolarHBondContact O-CG2 3.32Å; S326-V329 PolarHBondContact O-N 2.96Å; S326-V329 VanDerWaalsContact O-N 3.14Å; Q327-V329 VanDerWaalsContact C-N 3.31Å; Q327-V329 PolarHBondContact O-N 3.38Å; V329-M332 PolarHBondContact O-N 2.88Å; V329-Q333 WeakPolarHBondContact O-CG 3.47Å; V329-Q333 PolarHBondContact O-N 3Å
330W91.3Very high88.3Confident83 Ų8367.1 Ų67.131%0.31435%0.351SS..Hα-helixtrans-64.9-46.4178.8176.7-100000111.9K322 L325 M332 Q333 Q334K322-W330 HydrophobicContact CB-CD2 4.47Å; K322-W330 HydrophobicContact CB-CE3 4.04Å; K322-W330 HydrophobicContact CB-CZ3 4.15Å; K322-W330 HydrophobicContact CD-CD2 3.83Å; K322-W330 HydrophobicContact CD-CE3 4.21Å; K322-W330 HydrophobicContact CD-CG 4.24Å; K322-W330 HydrophobicContact CD-CH2 4.42Å; K322-W330 HydrophobicContact CD-CZ2 4.07Å; K322-W330 HydrophobicContact CD-CZ3 4.49Å; K322-W330 HydrophobicContact CG-CD2 3.79Å; K322-W330 HydrophobicContact CG-CE3 3.84Å; K322-W330 HydrophobicContact CG-CG 4.13Å; K322-W330 HydrophobicContact CG-CZ3 4.34Å; L325-W330 HydrophobicContact CD1-CB 4.21Å; L325-W330 HydrophobicContact CD1-CE3 3.96Å; W330-M332 VanDerWaalsContact C-N 3.27Å; W330-M332 PolarHBondContact O-N 3Å; W330-Q333 WeakPolarHBondContact O-CB 3.38Å; W330-Q333 PolarHBondContact O-N 3.14Å; W330-Q334 VanDerWaalsContact CH2-NE2 3.34Å; W330-Q334 HydrophobicContact CZ2-CG 4.43Å; W330-Q334 WeakPolarHBondContact O-CG 3.23Å; W330-Q334 PolarHBondContact O-N 3.38Å; W330-Q334 VanDerWaalsContact O-N 3.13Å
331E92.6Very high87.4Confident103 Ų10370.2 Ų70.248%0.48137%0.365SS..Hα-helixtrans-62-38177.3-63.980.1-174.200111.5G328 Q334 S335G328-E331 VanDerWaalsContact C-OE2 3.31Å; G328-E331 WeakPolarHBondContact CA-OE2 3.43Å; G328-E331 PolarHBondContact N-OE2 3.43Å; E331-Q334 PolarHBondContact O-N 3.33Å; E331-S335 PolarHBondContact O-N 3.43Å; E331-S335 VanDerWaalsContact O-N 3.1Å; E331-S335 PolarHBondContact O-OG 2.7Å; E331-S335 VanDerWaalsContact O-OG 3.04Å
332M91.6Very high86.2Confident55 Ų5573.2 Ų73.227%0.27138%0.375SS..Hα-helixtrans-68.2-38.7175179.263.659.300112.1L308 S312 G328 V329 W330 Q334 S335 L336L308-M332 HydrophobicContact CB-CE 4.3Å; L308-M332 HydrophobicContact CB-CG 4.41Å; S312-M332 VanDerWaalsContact OG-CB 3.22Å; S312-M332 WeakPolarHBondContact OG-CB 3.39Å; S312-M332 WeakPolarHBondContact OG-CG 3.49Å; G328-M332 VanDerWaalsContact O-CB 3.3Å; G328-M332 WeakPolarHBondContact O-CB 3.23Å; G328-M332 PolarHBondContact O-N 3.35Å; G328-M332 VanDerWaalsContact O-N 3.13Å; V329-M332 PolarHBondContact O-N 2.88Å; W330-M332 VanDerWaalsContact C-N 3.27Å; W330-M332 PolarHBondContact O-N 3Å; M332-Q334 VanDerWaalsContact C-N 3.29Å; M332-Q334 PolarHBondContact O-N 3.32Å; M332-S335 WeakPolarHBondContact CA-OG 3.17Å; M332-S335 PolarHBondContact O-N 3.3Å; M332-S335 PolarHBondContact O-OG 2.86Å; M332-L336 HydrophobicContact CG-CD1 4.17Å; M332-L336 HydrophobicContact CG-CG 4.44Å; M332-L336 VanDerWaalsContact O-CG 3.27Å; M332-L336 WeakPolarHBondContact O-CG 3.24Å; M332-L336 PolarHBondContact O-N 3.38Å; M332-L336 HydrophobicContact SD-CG 4.28Å
333Q89.7Confident85Confident12 Ų1268 Ų686%0.05635%0.353CS..Hα-helixtrans-57.5-44173.5-75.7-179.8-27.300111.7S315 L316 V329 W330 S335 L336S315-Q333 PolarHBondContact OG-NE2 3.03Å; L316-Q333 HydrophobicContact CD1-CG 4.23Å; L316-Q333 HydrophobicContact CD2-CB 4.46Å; L316-Q333 HydrophobicContact CD2-CG 4.14Å; L316-Q333 HydrophobicContact CG-CG 3.9Å; V329-Q333 WeakPolarHBondContact O-CG 3.47Å; V329-Q333 PolarHBondContact O-N 3Å; W330-Q333 WeakPolarHBondContact O-CB 3.38Å; W330-Q333 PolarHBondContact O-N 3.14Å; Q333-S335 VanDerWaalsContact C-N 3.33Å; Q333-S335 PolarHBondContact O-N 3.48Å; Q333-L336 PolarHBondContact O-N 3.01Å
334Q87.6Confident83.2Confident127 Ų12765.9 Ų65.959%0.59335%0.347SS*.Hα-helixtrans-71.7-28.1-178.7-62.7-61.4-18.100113.2W330 E331 M332W330-Q334 VanDerWaalsContact CH2-NE2 3.34Å; W330-Q334 HydrophobicContact CZ2-CG 4.43Å; W330-Q334 WeakPolarHBondContact O-CG 3.23Å; W330-Q334 PolarHBondContact O-N 3.38Å; W330-Q334 VanDerWaalsContact O-N 3.13Å; E331-Q334 PolarHBondContact O-N 3.33Å; M332-Q334 VanDerWaalsContact C-N 3.29Å; M332-Q334 PolarHBondContact O-N 3.32Å
335S88.4Confident81Confident79 Ų7966 Ų6655%0.55235%0.353SS*.Hα-helixtrans-89-9.8178.659.30000113.9E331 M332 Q333 P337E331-S335 PolarHBondContact O-N 3.43Å; E331-S335 VanDerWaalsContact O-N 3.1Å; E331-S335 PolarHBondContact O-OG 2.7Å; E331-S335 VanDerWaalsContact O-OG 3.04Å; M332-S335 WeakPolarHBondContact CA-OG 3.17Å; M332-S335 PolarHBondContact O-N 3.3Å; M332-S335 PolarHBondContact O-OG 2.86Å; Q333-S335 VanDerWaalsContact C-N 3.33Å; Q333-S335 PolarHBondContact O-N 3.48Å; S335-P337 WeakPolarHBondContact O-CD 3.39Å
336L86.1Confident78.4Confident11 Ų1169.1 Ų69.16%0.05837%0.37CS..SBendtrans-73.2123.4179.5-87.2163.2000111.7R309 Q313 M332 Q333 L340 Q341R309-L336 HydrophobicContact CG-CD2 3.98Å; Q313-L336 HydrophobicContact CG-CD1 4.49Å; M332-L336 HydrophobicContact CG-CD1 4.17Å; M332-L336 HydrophobicContact CG-CG 4.44Å; M332-L336 VanDerWaalsContact O-CG 3.27Å; M332-L336 WeakPolarHBondContact O-CG 3.24Å; M332-L336 PolarHBondContact O-N 3.38Å; M332-L336 HydrophobicContact SD-CG 4.28Å; Q333-L336 PolarHBondContact O-N 3.01Å; L336-L340 HydrophobicContact CD2-CB 3.82Å; L336-Q341 HydrophobicContact CB-CG 3.96Å; L336-Q341 PolarHBondContact O-NE2 3.46Å
337P82.9Confident76Confident57 Ų5774.2 Ų74.237%0.3740%0.395SS..  trans-54.9144.6169.1-28.538.8000111.7S335 D339 L340 Q341S335-P337 WeakPolarHBondContact O-CD 3.39Å; P337-D339 WeakPolarHBondContact CB-OD1 3.32Å; P337-D339 PolarHBondContact O-N 3.11Å; P337-D339 VanDerWaalsContact O-N 3.13Å; P337-L340 HydrophobicContact CB-CD1 4.19Å; P337-L340 HydrophobicContact CB-CG 4.42Å; P337-L340 HydrophobicContact CG-CD1 3.96Å; P337-L340 WeakPolarHBondContact O-CA 3.38Å; P337-L340 PolarHBondContact O-N 3.39Å; P337-Q341 PolarHBondContact O-N 2.84Å
338P79.1Confident73.8Confident103 Ų10373 Ų7367%0.66939%0.393SS*.G310 helixtrans-53.3-34.9-176.5-28.235.2000114.7L340 Q341P338-L340 PolarHBondContact O-N 2.96Å; P338-Q341 PolarHBondContact O-N 2.86Å
339D73.8Confident71.3Confident94 Ų9477 Ų7750%0.50341%0.414SS..G310 helixtrans-65.2-19.9175.756-57.2000113.6P337 N346P337-D339 WeakPolarHBondContact CB-OD1 3.32Å; P337-D339 PolarHBondContact O-N 3.11Å; P337-D339 VanDerWaalsContact O-N 3.13Å; D339-N346 PolarHBondContact O-ND2 3.06Å
340L71.4Confident68.6Low45 Ų4583.5 Ų83.524%0.23645%0.454CS..G310 helixtrans-109.1-1.1-177.7-59.3174.1000113.1R309 Q313 L336 P337 P338 Q342R309-L340 VanDerWaalsContact NH2-CG 3.33Å; Q313-L340 WeakPolarHBondContact CG-O 3.3Å; Q313-L340 PolarHBondContact NE2-O 3.37Å; L336-L340 HydrophobicContact CD2-CB 3.82Å; P337-L340 HydrophobicContact CB-CD1 4.19Å; P337-L340 HydrophobicContact CB-CG 4.42Å; P337-L340 HydrophobicContact CG-CD1 3.96Å; P337-L340 WeakPolarHBondContact O-CA 3.38Å; P337-L340 PolarHBondContact O-N 3.39Å; P338-L340 PolarHBondContact O-N 2.96Å; L340-Q342 VanDerWaalsContact C-N 3.32Å
341Q73.8Confident66.4Low74 Ų7488 Ų8835%0.34648%0.478SS..SBendtrans-75-23.4176.7-73176.210.700112.4L316 L336 P337 P338L316-Q341 HydrophobicContact CD1-CB 3.82Å; L316-Q341 HydrophobicContact CD1-CG 3.85Å; L336-Q341 HydrophobicContact CB-CG 3.96Å; L336-Q341 PolarHBondContact O-NE2 3.46Å; P337-Q341 PolarHBondContact O-N 2.84Å; P338-Q341 PolarHBondContact O-N 2.86Å
342Q68.1Low64.6Low115 Ų11591.8 Ų91.854%0.53750%0.496SS..SBendtrans-84.2137.1174.3-73.2-177.81.500111.7Q313 L340 C344Q313-Q342 PolarHBondContact NE2-O 3.21Å; L340-Q342 VanDerWaalsContact C-N 3.32Å; Q342-C344 PolarHBondContact O-N 2.81Å; Q342-C344 VanDerWaalsContact O-N 3.08Å
343I65.4Low63.4Low19 Ų1993 Ų9310%0.09750%0.501CS..SBendtrans-67.9106169.5-58.4170.7000107.4Q313 W314 R317 L345Q313-I343 HydrophobicContact CB-CG1 3.55Å; W314-I343 HydrophobicContact CB-CD1 4.11Å; W314-I343 HydrophobicContact CD2-CD1 3.34Å; W314-I343 HydrophobicContact CE3-CD1 3.66Å; W314-I343 HydrophobicContact CG-CD1 3.51Å; W314-I343 HydrophobicContact CG-CG1 4.39Å; W314-I343 HydrophobicContact CZ2-CD1 4.27Å; W314-I343 HydrophobicContact CZ2-CG2 4.37Å; W314-I343 HydrophobicContact CZ3-CD1 4.29Å; R317-I343 HydrophobicContact CB-CD1 3.65Å; R317-I343 HydrophobicContact CB-CG1 4.46Å; R317-I343 HydrophobicContact CG-CD1 4.13Å; I343-L345 VanDerWaalsContact C-N 3.31Å; I343-L345 PolarHBondContact O-N 3.17Å
344C54.9Low63.1Low91 Ų9199.4 Ų99.462%0.61553%0.531SS*.SBendtrans31.159.9165.8-69.60000114.9Q342Q342-C344 PolarHBondContact O-N 2.81Å; Q342-C344 VanDerWaalsContact O-N 3.08Å
345L46.8Very low63.2Low79 Ų7995.8 Ų95.841%0.41451%0.512SS..  trans-95.7-6.1155.8-97.5133.1000111.6I343 N347 L348I343-L345 VanDerWaalsContact C-N 3.31Å; I343-L345 PolarHBondContact O-N 3.17Å; L345-N347 PolarHBondContact O-N 2.87Å; L345-L348 HydrophobicContact CD2-CB 4.45Å; L345-L348 HydrophobicContact CD2-CD1 3.45Å; L345-L348 VanDerWaalsContact CD2-CD1 3.45Å; L345-L348 HydrophobicContact CG-CD1 4.09Å; L345-L348 WeakPolarHBondContact O-CB 3.22Å; L345-L348 PolarHBondContact O-N 3.03Å
346N38.2Very low63.1Low89 Ų8997.9 Ų97.948%0.47652%0.516SS..THydrogen-bonded Turntrans-82.128.7-178.4-68-0.7000115.1D339D339-N346 PolarHBondContact O-ND2 3.06Å
347N40.3Very low63.2Low136 Ų13698 Ų9873%0.72752%0.517SS*.THydrogen-bonded Turntrans-121.62.7154.5-79.3-11.2000112L345 T349L345-N347 PolarHBondContact O-N 2.87Å; N347-T349 VanDerWaalsContact C-N 3.26Å
348L44.3Very low63.4Low140 Ų14099.4 Ų99.473%0.73353%0.526SS*.THydrogen-bonded Turntrans-84.71.7173.9-82.2155.6000113L345L345-L348 HydrophobicContact CD2-CB 4.45Å; L345-L348 HydrophobicContact CD2-CD1 3.45Å; L345-L348 VanDerWaalsContact CD2-CD1 3.45Å; L345-L348 HydrophobicContact CG-CD1 4.09Å; L345-L348 WeakPolarHBondContact O-CB 3.22Å; L345-L348 PolarHBondContact O-N 3.03Å
349T38Very low63.9Low106 Ų106101.7 Ų101.765%0.6553%0.528SS*.THydrogen-bonded Turntrans-99.799.7160.145.10000109.3N347N347-T349 VanDerWaalsContact C-N 3.26Å
350T37.2Very low64.6Low136 Ų136101.4 Ų101.483%0.83453%0.533SS*.THydrogen-bonded Turntrans66.446.6151.841.60000118.5
351Q44Very low65.4Low177 Ų177101.5 Ų101.583%0.82753%0.532SS*.  trans-119.7101134.8-76.2-165.9-17.900106.5E353Q351-E353 PolarHBondContact O-N 3.39Å
352E55.2Low66.2Low182 Ų18299.4 Ų99.485%0.8553%0.526SS*.  trans-53.6111.7164.8-70.6179.8162.900106.4E354E352-E354 PolarHBondContact O-N 3.3Å
353E67.2Low67.3Low80 Ų80100 Ų10037%0.37453%0.528SS..  trans-57.7109175.8-165.9-171.1170.400107.1Q351 I551 S552 R555Q351-E353 PolarHBondContact O-N 3.39Å; E353-I551 HydrophobicContact CB-CB 4.09Å; E353-I551 HydrophobicContact CB-CG1 4.2Å; E353-I551 HydrophobicContact CG-CB 4.17Å; E353-I551 WeakPolarHBondContact OE2-CB 3.35Å; E353-I551 PolarHBondContact OE2-N 3.23Å; E353-S552 WeakPolarHBondContact OE1-CB 3.35Å; E353-S552 PolarHBondContact OE1-N 2.55Å; E353-S552 PolarHBondContact OE2-N 3.03Å; E353-R555 IonicContact OE1-CZ 2.83Å; E353-R555 IonicContact OE1-NH2 3.19Å; E353-R555 PolarHBondContact OE1-NH2 2.82Å
354E83Confident68.7Low148 Ų148105.5 Ų105.569%0.69255%0.552SS**  trans-63.9143.1-174-71.4-173.7-177.300110.1E352 I356 R555E352-E354 PolarHBondContact O-N 3.3Å; E354-I356 PolarHBondContact O-N 3.47Å; E354-R555 PolarHBondContact O-NH1 2.91Å
355W88.5Confident70.6Confident50 Ų50102.5 Ų102.519%0.18953%0.528CS..SBendtrans-57.3-38.4175.8177-107.5000111.4P357 L370 K372 V375 I551 I554 R555W355-P357 WeakPolarHBondContact O-CD 3.35Å; W355-L370 PolarHBondContact NE1-O 3.14Å; W355-K372 HydrophobicContact CB-CB 4.21Å; W355-K372 HydrophobicContact CD2-CB 3.75Å; W355-K372 HydrophobicContact CD2-CG 4.22Å; W355-K372 HydrophobicContact CE3-CB 4.08Å; W355-K372 HydrophobicContact CE3-CG 4.02Å; W355-K372 HydrophobicContact CG-CB 3.79Å; W355-V375 HydrophobicContact CH2-CB 4.34Å; W355-V375 HydrophobicContact CH2-CG2 3.69Å; W355-V375 HydrophobicContact CZ2-CG2 3.92Å; W355-I551 HydrophobicContact CE3-CG2 4.16Å; W355-I554 HydrophobicContact CH2-CG2 4.41Å; W355-I554 HydrophobicContact CZ3-CG2 3.94Å; W355-R555 HydrophobicContact CD2-CG 4.24Å; W355-R555 HydrophobicContact CE3-CG 3.67Å; W355-R555 HydrophobicContact CH2-CG 3.72Å; W355-R555 HydrophobicContact CZ2-CG 4.3Å; W355-R555 HydrophobicContact CZ3-CB 4.49Å; W355-R555 HydrophobicContact CZ3-CG 3.39Å; W355-R555 WeakPolarHBondContact O-CD 3.32Å; W355-R555 PolarHBondContact O-NH1 2.95Å
356I87.8Confident73Confident123 Ų12399.9 Ų99.963%0.63151%0.513SS*.SBendtrans-83.9121.1-179.9-59.4173.6000108.5E354E354-I356 PolarHBondContact O-N 3.47Å
357P87Confident75.6Confident13 Ų1398.7 Ų98.78%0.08451%0.505CS..PPolyproline II helixtrans-64.5162.4174.7-1830.3000111.9W355 H361 C362W355-P357 WeakPolarHBondContact O-CD 3.35Å; P357-H361 HydrophobicContact CB-CB 3.98Å; P357-C362 PolarHBondContact O-SG 2.91Å; P357-C362 VanDerWaalsContact O-SG 3.37Å
358P88.7Confident78.2Confident88 Ų8893.3 Ų93.357%0.57148%0.479SS*.PPolyproline II helixtrans-51.7147.5173.2-25.934.5000112.5S360 H361 C362P358-S360 PolarHBondContact O-N 2.84Å; P358-S360 VanDerWaalsContact O-N 3.13Å; P358-H361 WeakPolarHBondContact O-CA 3.38Å; P358-H361 VanDerWaalsContact O-CB 3.26Å; P358-H361 WeakPolarHBondContact O-CB 2.95Å; P358-H361 PolarHBondContact O-N 3.38Å; P358-C362 PolarHBondContact O-N 3.4Å; P358-C362 VanDerWaalsContact O-N 3.11Å
359Q88.4Confident80.5Confident151 Ų15190.7 Ų90.771%0.70647%0.47SS*.Hα-helixtrans-57-35.6-175.6-169.5177.616.100113.3H361 C362 Q363Q359-H361 VanDerWaalsContact C-N 3.27Å; Q359-H361 PolarHBondContact O-N 3.32Å; Q359-C362 PolarHBondContact O-N 2.97Å; Q359-Q363 WeakPolarHBondContact O-CG 3.23Å; Q359-Q363 PolarHBondContact O-N 3.25Å
360S89.5Confident83.1Confident87 Ų8786.3 Ų86.361%0.60844%0.443SS*.Hα-helixtrans-61.5-34.9174.953.70000112.9P358 K364P358-S360 PolarHBondContact O-N 2.84Å; P358-S360 VanDerWaalsContact O-N 3.13Å; S360-K364 PolarHBondContact O-N 2.96Å
361H88.4Confident85.8Confident47 Ų4783.6 Ų83.622%0.21843%0.426CS..Hα-helixtrans-71.1-48175.1-174.5-77.2000110.8P357 P358 Q359 Q363 K364 F365 Q367 D536P357-H361 HydrophobicContact CB-CB 3.98Å; P358-H361 WeakPolarHBondContact O-CA 3.38Å; P358-H361 VanDerWaalsContact O-CB 3.26Å; P358-H361 WeakPolarHBondContact O-CB 2.95Å; P358-H361 PolarHBondContact O-N 3.38Å; Q359-H361 VanDerWaalsContact C-N 3.27Å; Q359-H361 PolarHBondContact O-N 3.32Å; H361-Q363 PolarHBondContact O-N 2.05Å; H361-K364 PolarHBondContact O-N 3.44Å; H361-F365 AromaticContact CD2-CD2 3.78Å; H361-F365 AromaticContact CE1-CD2 3.79Å; H361-F365 AromaticContact NE2-CD2 3.62Å; H361-F365 PolarHBondContact O-N 2.82Å; H361-Q367 PolarHBondContact ND1-NE2 3.29Å; H361-D536 IonicContact CD2-OD2 3.1Å; H361-D536 IonicContact CE1-OD2 2.75Å; H361-D536 PolarHBondContact CE1-OD2 3.47Å; H361-D536 IonicContact NE2-OD2 2.81Å; H361-D536 PolarHBondContact NE2-OD2 3.16Å
362C89.9Confident88.2Confident30 Ų3080.9 Ų80.920%0.20341%0.412CS..Hα-helixtrans-60.7-30177.7-64.40000113.5P357 P358 Q359 Q367 K533P357-C362 PolarHBondContact O-SG 2.91Å; P357-C362 VanDerWaalsContact O-SG 3.37Å; P358-C362 PolarHBondContact O-N 3.4Å; P358-C362 VanDerWaalsContact O-N 3.11Å; Q359-C362 PolarHBondContact O-N 2.97Å; C362-Q367 HydrophobicContact CB-CG 4.21Å; C362-K533 PolarHBondContact O-NZ 3.47Å
363Q91.1Very high90.1Very high128 Ų12877.1 Ų77.160%0.59840%0.397SS*.Hα-helixtrans-71.3-33.6174.6-76.4173.6-500112.3Q359 H361 K533Q359-Q363 WeakPolarHBondContact O-CG 3.23Å; Q359-Q363 PolarHBondContact O-N 3.25Å; H361-Q363 PolarHBondContact O-N 2.05Å; Q363-K533 WeakPolarHBondContact O-CE 3.23Å
364K93.6Very high91.5Very high134 Ų13476.7 Ų76.758%0.58339%0.394SS*.Hα-helixtrans-88.1-38.3-174-173.6174.3176.1-175.90113.5S360 H361 P534S360-K364 PolarHBondContact O-N 2.96Å; H361-K364 PolarHBondContact O-N 3.44Å; K364-P534 WeakPolarHBondContact O-CD 3.39Å
365F95.4Very high92.2Very high29 Ų2970.6 Ų70.613%0.12737%0.367CS..SBendtrans-117.4153.7-171.6-59.5-71.7000112.4H361 Q367 K533 P534 D536H361-F365 AromaticContact CD2-CD2 3.78Å; H361-F365 AromaticContact CE1-CD2 3.79Å; H361-F365 AromaticContact NE2-CD2 3.62Å; H361-F365 PolarHBondContact O-N 2.82Å; F365-Q367 PolarHBondContact O-NE2 3.43Å; F365-K533 WeakPolarHBondContact O-CD 3.13Å; F365-P534 CarbonylContact C-O 3.56Å; F365-P534 WeakPolarHBondContact CA-O 3.37Å; F365-P534 HydrophobicContact CD1-CG 4.03Å; F365-P534 HydrophobicContact CE1-CG 4.35Å; F365-D536 HydrophobicContact CB-CB 4.19Å; F365-D536 HydrophobicContact CD1-CB 3.98Å; F365-D536 HydrophobicContact CD2-CB 4.06Å; F365-D536 HydrophobicContact CE1-CB 4.34Å; F365-D536 HydrophobicContact CE2-CB 4.39Å; F365-D536 HydrophobicContact CG-CB 3.82Å
366Y96.5Very high92.7Very high23 Ų2369.8 Ų69.89%0.0937%0.365CS..  trans-57.7140.9170.1169.5-94.7000110.3A368 V527 L531 P534 L535 A559 C563 D566Y366-A368 HydrophobicContact CE1-CB 4.37Å; Y366-V527 HydrophobicContact CD2-CG1 4.19Å; Y366-V527 HydrophobicContact CG-CG1 3.92Å; Y366-L531 HydrophobicContact CD2-CD1 3.88Å; Y366-L531 HydrophobicContact CE2-CD1 3.61Å; Y366-P534 PolarHBondContact N-O 3.37Å; Y366-L535 HydrophobicContact CD1-CD2 3.75Å; Y366-L535 HydrophobicContact CG-CD2 4.4Å; Y366-A559 HydrophobicContact CD1-CB 4.47Å; Y366-A559 HydrophobicContact CE1-CB 4.43Å; Y366-C563 HydrophobicContact CD1-CB 4.09Å; Y366-C563 HydrophobicContact CE1-CB 3.58Å; Y366-D566 PolarHBondContact OH-OD2 3.32Å
367Q94.8Very high93.1Very high65 Ų6567 Ų6730%0.30435%0.349SS..  trans-124.9124.8176.4-58.3-60.9-49.800107.5H361 C362 F365H361-Q367 PolarHBondContact ND1-NE2 3.29Å; C362-Q367 HydrophobicContact CB-CG 4.21Å; F365-Q367 PolarHBondContact O-NE2 3.43Å
368A93.6Very high93.6Very high22 Ų2266.4 Ų66.418%0.18235%0.345CS..  trans-60.4133.2170.300000108.7Y366 L370 Y562Y366-A368 HydrophobicContact CE1-CB 4.37Å; A368-L370 HydrophobicContact CB-CD1 4.2Å; A368-L370 HydrophobicContact CB-CG 4.3Å; A368-L370 PolarHBondContact O-N 2.89Å; A368-Y562 HydrophobicContact CB-CD1 4.27Å; A368-Y562 HydrophobicContact CB-CG 4.34Å
369P93Very high93.9Very high86 Ų8665.3 Ų65.356%0.55833%0.334SS*.SBendtrans-75.650.8-179.233.3-37.6000111.8Y562P369-Y562 VanDerWaalsContact CD-CE1 3.45Å; P369-Y562 HydrophobicContact CG-CD1 4.36Å; P369-Y562 HydrophobicContact CG-CE1 3.55Å
370L93.4Very high94.2Very high14 Ų1461.1 Ų61.17%0.07332%0.319CS..  trans-122.8137.1-173.8-62.5174.7000111.3W355 A368 K374 V375 V427 Y562W355-L370 PolarHBondContact NE1-O 3.14Å; A368-L370 HydrophobicContact CB-CD1 4.2Å; A368-L370 HydrophobicContact CB-CG 4.3Å; A368-L370 PolarHBondContact O-N 2.89Å; L370-K374 HydrophobicContact CB-CB 4.39Å; L370-K374 HydrophobicContact CD2-CB 4.02Å; L370-V375 HydrophobicContact CD1-CG2 4.42Å; L370-V427 HydrophobicContact CD1-CB 4.34Å; L370-V427 HydrophobicContact CD1-CG2 3.48Å; L370-V427 VanDerWaalsContact CD1-CG2 3.48Å; L370-Y562 HydrophobicContact CD1-CD2 3.67Å; L370-Y562 HydrophobicContact CD1-CE2 4.08Å; L370-Y562 HydrophobicContact CD1-CG 4.08Å; L370-Y562 HydrophobicContact CD2-CD2 4.31Å; L370-Y562 HydrophobicContact CD2-CE2 3.85Å; L370-Y562 HydrophobicContact CG-CD2 4.21Å; L370-Y562 HydrophobicContact CG-CE2 4.18Å
371T93.9Very high94.5Very high78 Ų7860 Ų6048%0.47931%0.306SS..  trans-84.8158.1165.251.10000110.1D373 K374T371-D373 WeakPolarHBondContact CB-OD1 3.36Å; T371-D373 PolarHBondContact O-N 3.16Å; T371-D373 VanDerWaalsContact O-N 3.14Å; T371-D373 PolarHBondContact OG1-OD1 2.83Å; T371-K374 WeakPolarHBondContact O-CB 3.44Å; T371-K374 PolarHBondContact O-N 2.84Å
372K93.4Very high94.8Very high121 Ų12165.2 Ų65.253%0.52633%0.331SS..G310 helixtrans-54.8-34.3-176.3-173.3178176.6179.30113.5W355 K374 V375W355-K372 HydrophobicContact CB-CB 4.21Å; W355-K372 HydrophobicContact CD2-CB 3.75Å; W355-K372 HydrophobicContact CD2-CG 4.22Å; W355-K372 HydrophobicContact CE3-CB 4.08Å; W355-K372 HydrophobicContact CE3-CG 4.02Å; W355-K372 HydrophobicContact CG-CB 3.79Å; K372-K374 PolarHBondContact O-N 3.17Å; K372-V375 PolarHBondContact O-N 2.79Å
373D94.9Very high95.1Very high102 Ų10265.7 Ų65.755%0.54533%0.333SS..G310 helixtrans-68.1-10.9178.164.2-68.9000114.1T371 H376T371-D373 WeakPolarHBondContact CB-OD1 3.36Å; T371-D373 PolarHBondContact O-N 3.16Å; T371-D373 VanDerWaalsContact O-N 3.14Å; T371-D373 PolarHBondContact OG1-OD1 2.83Å; D373-H376 PolarHBondContact O-CE1 2.87Å
374K97Very high95.4Very high71 Ų7159.7 Ų59.731%0.30930%0.304SS..G310 helixtrans-94.1-2.1176-56.4-58-178.4-179.50114L370 T371 K372 D425 Q426 V427L370-K374 HydrophobicContact CB-CB 4.39Å; L370-K374 HydrophobicContact CD2-CB 4.02Å; T371-K374 WeakPolarHBondContact O-CB 3.44Å; T371-K374 PolarHBondContact O-N 2.84Å; K372-K374 PolarHBondContact O-N 3.17Å; K374-D425 WeakPolarHBondContact CB-O 3.24Å; K374-D425 WeakPolarHBondContact CD-O 3.4Å; K374-Q426 WeakPolarHBondContact O-CA 3.39Å; K374-Q426 PolarHBondContact O-OE1 2.97Å; K374-V427 PolarHBondContact O-N 3.13Å
375V97.7Very high95.5Very high21 Ų2159.5 Ų59.513%0.12731%0.306CS..EExtended strand (participates in β ladder)trans-109.7111.2177.3-175.10000108.6W355 L370 K372 V427 L429 I554 A558W355-V375 HydrophobicContact CH2-CB 4.34Å; W355-V375 HydrophobicContact CH2-CG2 3.69Å; W355-V375 HydrophobicContact CZ2-CG2 3.92Å; L370-V375 HydrophobicContact CD1-CG2 4.42Å; K372-V375 PolarHBondContact O-N 2.79Å; V375-V427 CarbonylContact C-O 3.52Å; V375-V427 WeakPolarHBondContact CA-O 3.38Å; V375-V427 HydrophobicContact CG2-CB 4.45Å; V375-L429 HydrophobicContact CG1-CD1 3.68Å; V375-L429 HydrophobicContact CG1-CG 3.99Å; V375-I554 HydrophobicContact CG1-CG2 3.99Å; V375-A558 HydrophobicContact CG1-CB 4.31Å; V375-A558 HydrophobicContact CG2-CB 4.11Å
376H97.7Very high95.5Very high33 Ų3364.5 Ų64.515%0.15332%0.324CS..EExtended strand (participates in β ladder)trans-106.5126.4-172-55.5-77.8000110.5D373 Q426 V427 F428 L429D373-H376 PolarHBondContact O-CE1 2.87Å; H376-Q426 PolarHBondContact NE2-OE1 2.7Å; H376-V427 PolarHBondContact N-O 2.95Å; H376-F428 HydrophobicContact CB-CD1 3.68Å; H376-F428 HydrophobicContact CB-CE1 3.93Å; H376-F428 AromaticContact CD2-CE1 3.79Å; H376-F428 AromaticContact CG-CE1 3.93Å; H376-F428 CarbonylContact O-C 3.53Å; H376-F428 WeakPolarHBondContact O-CA 3.24Å; H376-L429 PolarHBondContact O-N 3.24Å
377F96.8Very high95.6Very high64 Ų6463.4 Ų63.428%0.28132%0.319SS..EExtended strand (participates in β ladder)trans-80.1134.3169.3-127-116.5000110L418 L429 D431 L549F377-L418 HydrophobicContact CE2-CD1 4.45Å; F377-L418 HydrophobicContact CZ-CD1 4.33Å; F377-L429 HydrophobicContact CD2-CB 3.87Å; F377-L429 HydrophobicContact CD2-CD1 4.1Å; F377-L429 HydrophobicContact CE2-CB 3.98Å; F377-L429 HydrophobicContact CE2-CD1 4.02Å; F377-D431 HydrophobicContact CD1-CB 3.93Å; F377-D431 HydrophobicContact CE1-CB 3.42Å; F377-D431 VanDerWaalsContact CE1-CB 3.42Å; F377-D431 VanDerWaalsContact CE1-OD2 3.29Å; F377-D431 WeakPolarHBondContact CE1-OD2 3.27Å; F377-D431 HydrophobicContact CZ-CB 4.03Å; F377-L549 HydrophobicContact CE2-CD1 4.01Å; F377-L549 HydrophobicContact CZ-CD1 3.76Å; F377-L549 HydrophobicContact CZ-CG 4.37Å
378V97.4Very high95.7Very high0 Ų063 Ų630%032%0.317CS..EExtended strand (participates in β ladder)trans-120.996.8-178.5-177.60000108.5L384 C387 F428 L429 L430 D431 F437V378-L384 HydrophobicContact CG1-CB 3.99Å; V378-L384 HydrophobicContact CG1-CD1 4.2Å; V378-C387 HydrophobicContact CG1-CB 4.44Å; V378-C387 HydrophobicContact CG2-CB 3.96Å; V378-F428 HydrophobicContact CG2-CB 4.01Å; V378-F428 HydrophobicContact CG2-CD1 3.92Å; V378-F428 HydrophobicContact CG2-CG 4.45Å; V378-L429 PolarHBondContact N-O 3.22Å; V378-L430 HydrophobicContact CB-CD1 3.95Å; V378-L430 HydrophobicContact CB-CG 4Å; V378-L430 HydrophobicContact CG1-CD1 4.28Å; V378-L430 HydrophobicContact CG1-CG 4.05Å; V378-L430 HydrophobicContact CG2-CD1 4.07Å; V378-L430 WeakPolarHBondContact O-CA 3.32Å; V378-D431 PolarHBondContact O-N 3.32Å; V378-F437 HydrophobicContact CG1-CZ 3.86Å; V378-F437 VanDerWaalsContact O-CE1 3.27Å; V378-F437 WeakPolarHBondContact O-CE1 3.35Å
379D95.6Very high95.7Very high65 Ų6565.9 Ų65.935%0.34834%0.336SS..  trans-130.90.6-172.858.5-3.8000113T383 D431 A434 F437D379-T383 PolarHBondContact N-OG1 3.02Å; D379-D431 HydrophobicContact CB-CB 4.33Å; D379-A434 HydrophobicContact CB-CB 3.63Å; D379-F437 WeakPolarHBondContact O-CD2 3.09Å
380T95.3Very high95.8Very high63 Ų6365.9 Ų65.939%0.38733%0.327SS..SBendtrans-138.3165.3178.864.40000111.1E382 T383 L384 F437T380-E382 VanDerWaalsContact C-N 3.3Å; T380-E382 PolarHBondContact O-N 2.76Å; T380-T383 PolarHBondContact N-OG1 3.41Å; T380-T383 PolarHBondContact O-N 2.88Å; T380-T383 PolarHBondContact O-OG1 2.94Å; T380-T383 VanDerWaalsContact O-OG1 3.12Å; T380-T383 PolarHBondContact OG1-N 2.97Å; T380-T383 PolarHBondContact OG1-OG1 2.82Å; T380-L384 VanDerWaalsContact O-CB 3.31Å; T380-L384 WeakPolarHBondContact O-CB 3.47Å; T380-L384 PolarHBondContact O-N 3.34Å; T380-F437 WeakPolarHBondContact O-CE2 3.4Å
381L94.2Very high96Very high65 Ų6565.2 Ų65.234%0.3432%0.324SS..Hα-helixtrans-64-34.2177-69.4177.1000112.7L384 Q385 Q440 D442L381-L384 HydrophobicContact CD2-CD2 4.22Å; L381-L384 WeakPolarHBondContact O-CB 3.39Å; L381-L384 PolarHBondContact O-N 2.82Å; L381-Q385 WeakPolarHBondContact O-CG 3.48Å; L381-Q385 PolarHBondContact O-N 2.91Å; L381-Q440 HydrophobicContact CD2-CB 4.08Å; L381-Q440 HydrophobicContact CD2-CG 4.07Å; L381-Q440 HydrophobicContact CG-CG 4.5Å; L381-D442 HydrophobicContact CD2-CB 3.92Å
382E94.9Very high96Very high156 Ų15664.5 Ų64.573%0.72932%0.317SS*.Hα-helixtrans-65.5-47.8177.6-176.4-177.2173.500111.2T380 L384 Q385 R386T380-E382 VanDerWaalsContact C-N 3.3Å; T380-E382 PolarHBondContact O-N 2.76Å; E382-L384 VanDerWaalsContact C-N 3.27Å; E382-L384 PolarHBondContact O-N 2.99Å; E382-Q385 PolarHBondContact O-N 2.83Å; E382-R386 PolarHBondContact O-N 3.09Å; E382-R386 VanDerWaalsContact O-N 3.08Å
383T96.6Very high95.9Very high40 Ų4065.9 Ų65.925%0.24532%0.323CS..Hα-helixtrans-67.9-29.5176.653.80000111.8D379 T380 R386 C387D379-T383 PolarHBondContact N-OG1 3.02Å; T380-T383 PolarHBondContact N-OG1 3.41Å; T380-T383 PolarHBondContact O-N 2.88Å; T380-T383 PolarHBondContact O-OG1 2.94Å; T380-T383 VanDerWaalsContact O-OG1 3.12Å; T380-T383 PolarHBondContact OG1-N 2.97Å; T380-T383 PolarHBondContact OG1-OG1 2.82Å; T383-R386 PolarHBondContact O-N 3.28Å; T383-C387 WeakPolarHBondContact O-CB 3.37Å; T383-C387 PolarHBondContact O-N 3.5Å
384L97.6Very high95.5Very high1 Ų168.4 Ų68.41%0.00533%0.332CS..Hα-helixtrans-66.3-45.1172.6-179.565.3000112.1V378 T380 L381 E382 R386 C387 Q388 F437 D442 L443 F446V378-L384 HydrophobicContact CG1-CB 3.99Å; V378-L384 HydrophobicContact CG1-CD1 4.2Å; T380-L384 VanDerWaalsContact O-CB 3.31Å; T380-L384 WeakPolarHBondContact O-CB 3.47Å; T380-L384 PolarHBondContact O-N 3.34Å; L381-L384 HydrophobicContact CD2-CD2 4.22Å; L381-L384 WeakPolarHBondContact O-CB 3.39Å; L381-L384 PolarHBondContact O-N 2.82Å; E382-L384 VanDerWaalsContact C-N 3.27Å; E382-L384 PolarHBondContact O-N 2.99Å; L384-R386 VanDerWaalsContact C-N 3.3Å; L384-R386 PolarHBondContact O-N 3.18Å; L384-C387 WeakPolarHBondContact O-CB 3.29Å; L384-C387 PolarHBondContact O-N 2.88Å; L384-Q388 WeakPolarHBondContact O-CG 3.41Å; L384-Q388 PolarHBondContact O-N 3.02Å; L384-F437 HydrophobicContact CB-CE2 4.28Å; L384-F437 HydrophobicContact CB-CZ 4.43Å; L384-F437 HydrophobicContact CD1-CZ 4.45Å; L384-F437 HydrophobicContact CD2-CE2 4.48Å; L384-D442 HydrophobicContact CD2-CB 4.25Å; L384-L443 HydrophobicContact CD1-CD1 3.95Å; L384-L443 HydrophobicContact CD2-CB 4.15Å; L384-L443 HydrophobicContact CD2-CD1 4.43Å; L384-F446 HydrophobicContact CD1-CB 4.38Å; L384-F446 HydrophobicContact CD1-CD1 3.63Å; L384-F446 HydrophobicContact CD1-CE1 4.14Å; L384-F446 HydrophobicContact CD1-CG 4.08Å
385Q96.3Very high95Very high131 Ų13169.5 Ų69.561%0.61235%0.348SS*.Hα-helixtrans-61.1-40.6175.4-74.3172.8-6.700111.6L381 E382 Q388 S389L381-Q385 WeakPolarHBondContact O-CG 3.48Å; L381-Q385 PolarHBondContact O-N 2.91Å; E382-Q385 PolarHBondContact O-N 2.83Å; Q385-Q388 WeakPolarHBondContact O-CB 3.48Å; Q385-Q388 PolarHBondContact O-N 3.34Å; Q385-S389 PolarHBondContact O-N 2.87Å; Q385-S389 VanDerWaalsContact O-N 3.15Å
386R95.8Very high94.8Very high134 Ų13469.4 Ų69.451%0.50635%0.351SS..Hα-helixtrans-60.2-49.9172.2-176.6174.8175.7156.9-3.7110.8E382 T383 L384 Q388 S389 F390E382-R386 PolarHBondContact O-N 3.09Å; E382-R386 VanDerWaalsContact O-N 3.08Å; T383-R386 PolarHBondContact O-N 3.28Å; L384-R386 VanDerWaalsContact C-N 3.3Å; L384-R386 PolarHBondContact O-N 3.18Å; R386-Q388 VanDerWaalsContact C-N 3.33Å; R386-Q388 PolarHBondContact O-N 2.77Å; R386-S389 PolarHBondContact O-N 3.4Å; R386-S389 VanDerWaalsContact O-N 3.17Å; R386-S389 PolarHBondContact O-OG 2.85Å; R386-F390 HydrophobicContact CG-CD2 4.48Å; R386-F390 HydrophobicContact CG-CE2 4.25Å; R386-F390 WeakPolarHBondContact O-CD2 3.44Å
387C97.4Very high94.8Very high0 Ų070 Ų700%036%0.357CS..Hα-helixtrans-53.7-47.7175.9178.90000112.1V378 T383 L384 S389 F390 V391 F428V378-C387 HydrophobicContact CG1-CB 4.44Å; V378-C387 HydrophobicContact CG2-CB 3.96Å; T383-C387 WeakPolarHBondContact O-CB 3.37Å; T383-C387 PolarHBondContact O-N 3.5Å; L384-C387 WeakPolarHBondContact O-CB 3.29Å; L384-C387 PolarHBondContact O-N 2.88Å; C387-S389 VanDerWaalsContact C-N 3.3Å; C387-S389 PolarHBondContact O-N 3.43Å; C387-F390 PolarHBondContact O-N 2.95Å; C387-F390 VanDerWaalsContact O-N 3.09Å; C387-V391 WeakPolarHBondContact O-CB 3.46Å; C387-V391 WeakPolarHBondContact O-CG2 3.4Å; C387-V391 PolarHBondContact O-N 3.26Å; C387-F428 HydrophobicContact CB-CB 4.47Å; C387-F428 HydrophobicContact CB-CD1 3.72Å; C387-F428 HydrophobicContact CB-CE1 4.14Å; C387-F428 HydrophobicContact CB-CG 4.07Å; C387-F428 VanDerWaalsContact SG-CG 3.59Å
388Q96.7Very high94.9Very high56 Ų5666.9 Ų66.926%0.26234%0.343SS..Hα-helixtrans-54-44.2177.2-74.617316.900112.6L384 Q385 R386 F390 V391 L392 F446L384-Q388 WeakPolarHBondContact O-CG 3.41Å; L384-Q388 PolarHBondContact O-N 3.02Å; Q385-Q388 WeakPolarHBondContact O-CB 3.48Å; Q385-Q388 PolarHBondContact O-N 3.34Å; R386-Q388 VanDerWaalsContact C-N 3.33Å; R386-Q388 PolarHBondContact O-N 2.77Å; Q388-F390 PolarHBondContact O-N 3.29Å; Q388-V391 PolarHBondContact O-N 3.38Å; Q388-L392 HydrophobicContact CB-CD1 4.27Å; Q388-L392 HydrophobicContact CG-CD1 4.32Å; Q388-L392 WeakPolarHBondContact O-CB 3.33Å; Q388-L392 PolarHBondContact O-N 3.27Å; Q388-F446 HydrophobicContact CB-CE2 4.45Å; Q388-F446 HydrophobicContact CG-CB 4.48Å; Q388-F446 HydrophobicContact CG-CD2 3.39Å; Q388-F446 HydrophobicContact CG-CE2 3.69Å; Q388-F446 HydrophobicContact CG-CG 3.99Å
389S95.1Very high94.9Very high82 Ų8266.9 Ų66.957%0.57334%0.343SS*.Hα-helixtrans-62.8-25.8-178.773.30000114.2Q385 R386 C387Q385-S389 PolarHBondContact O-N 2.87Å; Q385-S389 VanDerWaalsContact O-N 3.15Å; R386-S389 PolarHBondContact O-N 3.4Å; R386-S389 VanDerWaalsContact O-N 3.17Å; R386-S389 PolarHBondContact O-OG 2.85Å; C387-S389 VanDerWaalsContact C-N 3.3Å; C387-S389 PolarHBondContact O-N 3.43Å
390F95.3Very high95.1Very high86 Ų8663.8 Ų63.838%0.37733%0.327SS..Hα-helixtrans-91.6-44.3176.1-76.9-92.4000112.1R386 C387 Q388 V423 Q426 F428R386-F390 HydrophobicContact CG-CD2 4.48Å; R386-F390 HydrophobicContact CG-CE2 4.25Å; R386-F390 WeakPolarHBondContact O-CD2 3.44Å; C387-F390 PolarHBondContact O-N 2.95Å; C387-F390 VanDerWaalsContact O-N 3.09Å; Q388-F390 PolarHBondContact O-N 3.29Å; F390-V423 HydrophobicContact CB-CG2 4.49Å; F390-Q426 HydrophobicContact CD1-CG 4.49Å; F390-F428 HydrophobicContact CB-CE2 3.7Å; F390-F428 HydrophobicContact CB-CZ 3.72Å; F390-F428 AromaticContact CD2-CZ 3.78Å; F390-F428 HydrophobicContact CD2-CZ 3.78Å; F390-F428 HydrophobicContact CG-CE2 4.18Å; F390-F428 AromaticContact CG-CZ 3.77Å; F390-F428 HydrophobicContact CG-CZ 3.77Å
391V95.9Very high95.2Very high1 Ų161.7 Ų61.71%0.00631%0.313CS..Hα-helixtrans-78.1-35.1-171.6175.80000112.2C387 Q388 K393 V398 L421 V423 F428 F446 L450C387-V391 WeakPolarHBondContact O-CB 3.46Å; C387-V391 WeakPolarHBondContact O-CG2 3.4Å; C387-V391 PolarHBondContact O-N 3.26Å; Q388-V391 PolarHBondContact O-N 3.38Å; V391-K393 PolarHBondContact O-N 3.17Å; V391-V398 HydrophobicContact CG1-CG1 4.06Å; V391-V398 HydrophobicContact CG1-CG2 3.93Å; V391-L421 HydrophobicContact CG1-CD1 4.35Å; V391-L421 HydrophobicContact CG2-CB 4.26Å; V391-L421 HydrophobicContact CG2-CD1 4.36Å; V391-V423 HydrophobicContact CG2-CG1 4.2Å; V391-F428 HydrophobicContact CG2-CD2 3.99Å; V391-F428 HydrophobicContact CG2-CE2 4.28Å; V391-F446 HydrophobicContact CB-CZ 4.32Å; V391-F446 HydrophobicContact CG1-CE2 4.42Å; V391-F446 HydrophobicContact CG1-CZ 4.14Å; V391-L450 HydrophobicContact CG1-CD1 3.64Å; V391-L450 HydrophobicContact CG1-CD2 4.03Å; V391-L450 HydrophobicContact CG1-CG 4.44Å
392L94.4Very high95.4Very high63 Ų6358.7 Ų58.733%0.3330%0.298SS..THydrogen-bonded Turntrans-88.423-178.7-59.6179.5000113.8Q388 F446 L450 I456Q388-L392 HydrophobicContact CB-CD1 4.27Å; Q388-L392 HydrophobicContact CG-CD1 4.32Å; Q388-L392 WeakPolarHBondContact O-CB 3.33Å; Q388-L392 PolarHBondContact O-N 3.27Å; L392-F446 HydrophobicContact CD1-CD2 4.12Å; L392-F446 HydrophobicContact CD1-CE2 4.19Å; L392-F446 HydrophobicContact CD2-CE2 4.14Å; L392-F446 HydrophobicContact CG-CD2 4.43Å; L392-F446 HydrophobicContact CG-CE2 4.01Å; L392-L450 HydrophobicContact CD2-CB 4.16Å; L392-L450 HydrophobicContact CD2-CD1 4.14Å; L392-I456 HydrophobicContact CB-CD1 4.36Å; L392-I456 HydrophobicContact CD2-CD1 3.86Å
393K91.7Very high95.5Very high150 Ų15052 Ų5265%0.65227%0.266SS*.  trans-69.6134.2178.4-169.1176.8-179.6-178.50110.7V391 S395 G396V391-K393 PolarHBondContact O-N 3.17Å; K393-S395 PolarHBondContact O-N 3.39Å; K393-G396 PolarHBondContact O-N 3.45Å
394E86.6Confident95.4Very high155 Ų15553 Ų5372%0.72427%0.265SS*.THydrogen-bonded Turntrans-55.5135.4178.8-171.1175.7-16400111.5G396E394-G396 PolarHBondContact O-N 2.66Å
395S86.9Confident95Very high94 Ų9453.2 Ų53.266%0.65727%0.266SS*.THydrogen-bonded Turntrans59.720.3-175.8-56.10000114.9K393 N455K393-S395 PolarHBondContact O-N 3.39Å; S395-N455 VanDerWaalsContact CA-O 3.23Å; S395-N455 WeakPolarHBondContact CA-O 3.49Å; S395-N455 PolarHBondContact N-O 3.06Å
396G93.3Very high94.5Very high18 Ų1848 Ų4819%0.18624%0.244CC..  trans-69.6156177.400000113.8K393 E394 I456 L457K393-G396 PolarHBondContact O-N 3.45Å; E394-G396 PolarHBondContact O-N 2.66Å; G396-I456 WeakPolarHBondContact O-CA 3.35Å; G396-L457 PolarHBondContact O-N 3.32Å
397V97.3Very high93.9Very high45 Ų4543.1 Ų43.127%0.27323%0.229SC..EExtended strand (participates in β ladder)trans-115.1127.9169-173.60000107.9L457 L459 L565 Y568V397-L457 CarbonylContact C-O 3.6Å; V397-L457 WeakPolarHBondContact CA-O 3.46Å; V397-L457 HydrophobicContact CG1-CB 4.44Å; V397-L457 HydrophobicContact CG1-CD2 4.15Å; V397-L457 HydrophobicContact CG1-CG 4.38Å; V397-L457 HydrophobicContact CG2-CB 4.3Å; V397-L457 HydrophobicContact CG2-CD2 4.28Å; V397-L459 HydrophobicContact CG1-CD1 3.64Å; V397-L459 HydrophobicContact CG1-CD2 4.43Å; V397-L459 HydrophobicContact CG1-CG 3.83Å; V397-L565 HydrophobicContact CB-CD2 4.38Å; V397-L565 HydrophobicContact CG1-CD2 3.82Å; V397-Y568 HydrophobicContact CG1-CD1 4.27Å; V397-Y568 HydrophobicContact CG1-CE1 4.45Å; V397-Y568 HydrophobicContact CG2-CE1 4.48Å
398V98.5Very high93.3Very high0 Ų044.5 Ų44.50%024%0.235CC..EExtended strand (participates in β ladder)trans-125.6119.7-175-174.50000109.1V391 V400 L421 A422 V423 L450 I456 L457 K458 L459V391-V398 HydrophobicContact CG1-CG1 4.06Å; V391-V398 HydrophobicContact CG1-CG2 3.93Å; V398-V400 HydrophobicContact CG1-CG2 4Å; V398-L421 HydrophobicContact CG1-CB 4.35Å; V398-L421 HydrophobicContact CG1-CD2 4.28Å; V398-A422 CarbonylContact C-O 3.53Å; V398-A422 VanDerWaalsContact CA-O 3.26Å; V398-A422 WeakPolarHBondContact CA-O 3.47Å; V398-V423 HydrophobicContact CG2-CG1 4.08Å; V398-L450 HydrophobicContact CG2-CD1 4.44Å; V398-I456 HydrophobicContact CB-CG2 4.49Å; V398-I456 HydrophobicContact CG2-CG2 3.59Å; V398-L457 PolarHBondContact N-O 3.39Å; V398-K458 CarbonylContact O-C 3.59Å; V398-K458 WeakPolarHBondContact O-CA 3.41Å; V398-L459 PolarHBondContact O-N 2.88Å
399G98.4Very high92.4Very high0 Ų042.2 Ų42.20%023%0.227CC..EExtended strand (participates in β ladder)trans-77.9130.7166.500000109.7L421 A422G399-L421 CarbonylContact O-C 3.56Å; G399-L421 WeakPolarHBondContact O-CA 3.26Å; G399-A422 PolarHBondContact N-O 2.83Å; G399-A422 PolarHBondContact O-N 2.89Å
400V98.4Very high91.8Very high0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-126.7128.6-177.6-173.20000109.6V398 M402 Q420 L421 F451 K458 L459 M463 L564V398-V400 HydrophobicContact CG1-CG2 4Å; V400-M402 HydrophobicContact CG1-CE 4.18Å; V400-Q420 WeakPolarHBondContact CA-O 3.49Å; V400-L421 HydrophobicContact CB-CD2 4.44Å; V400-L421 HydrophobicContact CG1-CD2 4.07Å; V400-L421 HydrophobicContact CG2-CD2 3.91Å; V400-F451 HydrophobicContact CG1-CZ 4.04Å; V400-K458 HydrophobicContact CG2-CB 4.32Å; V400-K458 HydrophobicContact CG2-CG 4.23Å; V400-L459 PolarHBondContact N-O 3.47Å; V400-M463 HydrophobicContact CG1-CE 4.09Å; V400-L564 WeakPolarHBondContact O-CD1 3.42Å
401D98Very high91Very high19 Ų1937.1 Ų37.110%0.10220%0.198CC..EExtended strand (participates in β ladder)trans-140167.4170.8-16449.2000109.3Q420 A561D401-Q420 HydrophobicContact CB-CB 4.36Å; D401-Q420 PolarHBondContact N-O 2.91Å; D401-Q420 VanDerWaalsContact N-O 3.17Å; D401-Q420 PolarHBondContact O-N 3.45Å; D401-Q420 PolarHBondContact O-OE1 3.48Å; D401-A561 HydrophobicContact CB-CB 4.26Å
402M97.7Very high90.1Very high2 Ų239.6 Ų39.61%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-144.4146.9177-56.4-176.2-172.900112.2V400 W404 V416 L418 I419 F451 M463 D466 L470V400-M402 HydrophobicContact CG1-CE 4.18Å; M402-W404 HydrophobicContact CB-CE3 4.43Å; M402-W404 HydrophobicContact CB-CZ3 4.21Å; M402-W404 WeakPolarHBondContact O-CZ3 3.42Å; M402-V416 HydrophobicContact CB-CG1 4.06Å; M402-V416 HydrophobicContact CB-CG2 4.47Å; M402-V416 HydrophobicContact CG-CG1 4.42Å; M402-V416 HydrophobicContact SD-CG1 4.43Å; M402-V416 HydrophobicContact SD-CG2 4.01Å; M402-L418 WeakPolarHBondContact CA-O 3.29Å; M402-I419 HydrophobicContact CE-CG2 4.3Å; M402-I419 HydrophobicContact CG-CG1 4.21Å; M402-I419 HydrophobicContact CG-CG2 4.35Å; M402-I419 HydrophobicContact SD-CG1 4.36Å; M402-F451 HydrophobicContact CE-CE2 4.44Å; M402-F451 HydrophobicContact CE-CZ 4.18Å; M402-M463 HydrophobicContact CE-CE 4.34Å; M402-D466 HydrophobicContact CB-CB 4.38Å; M402-D466 WeakPolarHBondContact CB-OD1 3.42Å; M402-D466 HydrophobicContact CG-CB 4.24Å; M402-D466 HydrophobicContact SD-CB 3.92Å; M402-L470 HydrophobicContact CE-CD1 4.07Å; M402-L470 HydrophobicContact CE-CD2 4.07Å; M402-L470 HydrophobicContact SD-CB 4.32Å; M402-L470 HydrophobicContact SD-CD1 3.89Å
403E97.1Very high89.3Confident15 Ų1539.9 Ų39.97%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-123.4144.8177-68.3-69.5-179.500112.6A417 L418 W544 Y556E403-A417 PolarHBondContact O-N 3.02Å; E403-L418 HydrophobicContact CB-CB 4.19Å; E403-L418 PolarHBondContact N-O 2.96Å; E403-L418 PolarHBondContact O-N 2.74Å; E403-W544 HydrophobicContact CB-CB 4.32Å; E403-W544 HydrophobicContact CB-CD2 3.61Å; E403-W544 HydrophobicContact CB-CE3 4.03Å; E403-W544 HydrophobicContact CB-CG 3.75Å; E403-W544 HydrophobicContact CB-CZ2 4.34Å; E403-W544 VanDerWaalsContact CD-CE2 3.41Å; E403-W544 VanDerWaalsContact CD-CZ2 3.46Å; E403-W544 HydrophobicContact CG-CD2 3.91Å; E403-W544 HydrophobicContact CG-CE3 4.21Å; E403-W544 HydrophobicContact CG-CG 4.46Å; E403-W544 HydrophobicContact CG-CH2 4.02Å; E403-W544 HydrophobicContact CG-CZ2 3.68Å; E403-W544 HydrophobicContact CG-CZ3 4.27Å; E403-W544 PolarHBondContact OE2-NE1 3.23Å; E403-Y556 WeakPolarHBondContact OE1-CE1 3.39Å
404W94.3Very high89.1Confident60 Ų6036.7 Ų36.723%0.22722%0.217CC..EExtended strand (participates in β ladder)trans-146.1156.8-179.555.881.8000112M402 P406 K415 C469M402-W404 HydrophobicContact CB-CE3 4.43Å; M402-W404 HydrophobicContact CB-CZ3 4.21Å; M402-W404 WeakPolarHBondContact O-CZ3 3.42Å; W404-P406 WeakPolarHBondContact O-CD 3.37Å; W404-K415 WeakPolarHBondContact CB-O 3.39Å; W404-C469 HydrophobicContact CD2-CB 4.37Å; W404-C469 HydrophobicContact CE3-CB 4.1Å
405Q89.9Confident89.4Confident6 Ų634.3 Ų34.33%0.02820%0.204CC..  trans-64.7126.8-179.5179.857.431.900112.4N543 E545Q405-N543 PolarHBondContact OE1-OD1 3.28Å; Q405-E545 HydrophobicContact CB-CG 3.89Å
406P86.9Confident89.8Confident21 Ų2130.1 Ų30.114%0.13618%0.175CC..  trans-67.8132.3166.1-21.634.8000111.1W404 F408 M541 S542W404-P406 WeakPolarHBondContact O-CD 3.37Å; P406-F408 HydrophobicContact CB-CD2 3.79Å; P406-F408 HydrophobicContact CB-CE2 3.49Å; P406-F408 VanDerWaalsContact CB-CE2 3.49Å; P406-F408 HydrophobicContact CB-CZ 4.28Å; P406-F408 HydrophobicContact CG-CE2 4.28Å; P406-M541 HydrophobicContact CG-CB 4.32Å; P406-S542 WeakPolarHBondContact CD-O 3.42Å
407T83.3Confident90Very high33 Ų3329.3 Ų29.320%0.20217%0.167CC..  trans-87.7-15.9-170.557.80000114.9Y286 G409 C410 A412 Q414Y286-T407 WeakPolarHBondContact CE1-O 3.41Å; T407-G409 PolarHBondContact O-N 3.11Å; T407-G409 VanDerWaalsContact O-N 3.11Å; T407-C410 WeakPolarHBondContact CB-O 3.28Å; T407-C410 WeakPolarHBondContact O-CA 3.38Å; T407-C410 WeakPolarHBondContact O-CB 3.5Å; T407-C410 PolarHBondContact O-N 3.18Å; T407-A412 HydrophobicContact CG2-CB 4.32Å; T407-Q414 HydrophobicContact CG2-CG 4.14Å
408F83.1Confident90Very high28 Ų2827.2 Ų27.212%0.12315%0.154CC..THydrogen-bonded Turntrans33.860.6175.8-72.6-69.4000115.5S261 Y264 L265 M275 H283 V287 P406 C410 M541S261-F408 VanDerWaalsContact CB-C 3.49Å; S261-F408 WeakPolarHBondContact CB-O 3.4Å; S261-F408 PolarHBondContact OG-O 2.85Å; S261-F408 VanDerWaalsContact OG-O 3.11Å; Y264-F408 HydrophobicContact CD1-CE1 4.23Å; Y264-F408 AromaticContact CE1-CE1 3.96Å; Y264-F408 HydrophobicContact CE1-CE1 3.96Å; L265-F408 HydrophobicContact CD1-CG 4.5Å; L265-F408 HydrophobicContact CD2-CD1 4.05Å; L265-F408 HydrophobicContact CD2-CE1 3.86Å; L265-F408 HydrophobicContact CD2-CE2 4.37Å; L265-F408 HydrophobicContact CD2-CG 4.42Å; L265-F408 HydrophobicContact CD2-CZ 4.02Å; L265-F408 HydrophobicContact CG-CD1 4.37Å; M275-F408 HydrophobicContact CE-CZ 4.46Å; H283-F408 HydrophobicContact CB-CD2 4.2Å; H283-F408 HydrophobicContact CB-CE2 4.34Å; H283-F408 AromaticContact CD2-CE2 3.77Å; H283-F408 AromaticContact CE1-CE2 3.53Å; H283-F408 AromaticContact CG-CD2 3.79Å; H283-F408 AromaticContact CG-CE2 3.54Å; H283-F408 AromaticContact ND1-CD2 3.57Å; H283-F408 AromaticContact ND1-CE2 3.37Å; H283-F408 WeakPolarHBondContact ND1-CE2 3.14Å; H283-F408 AromaticContact NE2-CE2 3.77Å; V287-F408 HydrophobicContact CG2-CB 3.48Å; V287-F408 VanDerWaalsContact CG2-CB 3.48Å; V287-F408 WeakPolarHBondContact CG2-O 3.43Å; P406-F408 HydrophobicContact CB-CD2 3.79Å; P406-F408 HydrophobicContact CB-CE2 3.49Å; P406-F408 VanDerWaalsContact CB-CE2 3.49Å; P406-F408 HydrophobicContact CB-CZ 4.28Å; P406-F408 HydrophobicContact CG-CE2 4.28Å; F408-C410 PolarHBondContact O-N 3.38Å; F408-M541 HydrophobicContact CZ-CE 4.2Å; F408-M541 HydrophobicContact CZ-SD 4.4Å
409G78.3Confident90Very high8 Ų827.2 Ų27.28%0.08215%0.154CC..THydrogen-bonded Turntrans85.5-22176.400000114.6R257 S261 T407R257-G409 WeakPolarHBondContact CB-O 3.29Å; R257-G409 PolarHBondContact NE-O 3.26Å; S261-G409 VanDerWaalsContact OG-CA 3.29Å; S261-G409 WeakPolarHBondContact OG-CA 3.43Å; S261-G409 PolarHBondContact OG-N 3.22Å; T407-G409 PolarHBondContact O-N 3.11Å; T407-G409 VanDerWaalsContact O-N 3.11Å
410C82.2Confident90Very high20 Ų2027.2 Ų27.214%0.13515%0.154CC..  trans-65.9147.2167.1-54.50000110Y286 T407 F408Y286-C410 HydrophobicContact CE1-CB 3.74Å; Y286-C410 VanDerWaalsContact CE1-SG 3.57Å; T407-C410 WeakPolarHBondContact CB-O 3.28Å; T407-C410 WeakPolarHBondContact O-CA 3.38Å; T407-C410 WeakPolarHBondContact O-CB 3.5Å; T407-C410 PolarHBondContact O-N 3.18Å; F408-C410 PolarHBondContact O-N 3.38Å
411I78.1Confident90Very high42 Ų4227.2 Ų27.222%0.21515%0.154CC..  trans-104.699.7179-57.8-171.8000107.2V237 M240 Q247 L254V237-I411 HydrophobicContact CB-CD1 4.44Å; V237-I411 HydrophobicContact CG1-CD1 3.96Å; V237-I411 HydrophobicContact CG2-CD1 3.68Å; M240-I411 HydrophobicContact CE-CD1 3.47Å; M240-I411 VanDerWaalsContact CE-CD1 3.47Å; M240-I411 HydrophobicContact CE-CG2 4.01Å; Q247-I411 PolarHBondContact OE1-O 3.04Å; L254-I411 HydrophobicContact CD2-CB 4.29Å; L254-I411 HydrophobicContact CD2-CD1 3.41Å; L254-I411 VanDerWaalsContact CD2-CD1 3.41Å; L254-I411 HydrophobicContact CD2-CG1 3.69Å
412A76.9Confident90Very high52 Ų5226.3 Ų26.343%0.4315%0.149SC..  trans-139.4147.3176.700000109.1T407 Q414T407-A412 HydrophobicContact CG2-CB 4.32Å; A412-Q414 PolarHBondContact O-N 3.22Å
413A78.9Confident90Very high69 Ų6927 Ų2757%0.5715%0.153SC*.  trans-63.5129.5169.200000108.7K415A413-K415 PolarHBondContact O-N 2.72Å
414Q87.4Confident89.9Confident83 Ų8332.6 Ų32.639%0.38818%0.183SC..  trans-73.9109.4173.9-66.6-173.2-58.300108.3T407 A412T407-Q414 HydrophobicContact CG2-CG 4.14Å; A412-Q414 PolarHBondContact O-N 3.22Å
415K92.3Very high89.9Confident105 Ų10534.1 Ų34.146%0.45720%0.196SC..  trans-109.4144.5175.7-65.1-176.9178-174.90108.8W404 A413 A417W404-K415 WeakPolarHBondContact CB-O 3.39Å; A413-K415 PolarHBondContact O-N 2.72Å; K415-A417 PolarHBondContact O-N 2.87Å
416V95.8Very high90.2Very high7 Ų735 Ų354%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-62.7128174-176.60000109.4M402 L418 I419 L432 C469 L470 T473M402-V416 HydrophobicContact CB-CG1 4.06Å; M402-V416 HydrophobicContact CB-CG2 4.47Å; M402-V416 HydrophobicContact CG-CG1 4.42Å; M402-V416 HydrophobicContact SD-CG1 4.43Å; M402-V416 HydrophobicContact SD-CG2 4.01Å; V416-L418 VanDerWaalsContact CG1-O 3.29Å; V416-L418 WeakPolarHBondContact CG1-O 3.4Å; V416-I419 HydrophobicContact CG1-CD1 4.46Å; V416-I419 HydrophobicContact CG1-CG1 3.62Å; V416-L432 HydrophobicContact CB-CD1 3.9Å; V416-L432 HydrophobicContact CG1-CD1 3.81Å; V416-C469 HydrophobicContact CG2-CB 3.72Å; V416-L470 HydrophobicContact CG2-CB 4.44Å; V416-L470 HydrophobicContact CG2-CD1 4.28Å; V416-T473 PolarHBondContact N-OG1 3.15Å
417A96.4Very high90.8Very high1 Ų134 Ų341%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-99.9-31.3175.800000111.9E403 K415 L432 W544 E545 R547E403-A417 PolarHBondContact O-N 3.02Å; K415-A417 PolarHBondContact O-N 2.87Å; A417-L432 PolarHBondContact O-N 3.23Å; A417-L432 VanDerWaalsContact O-N 3.07Å; A417-W544 HydrophobicContact CB-CB 4.05Å; A417-W544 WeakPolarHBondContact CB-O 3.32Å; A417-E545 HydrophobicContact CB-CG 4.12Å; A417-R547 PolarHBondContact O-NH2 2.91Å
418L98.1Very high91.5Very high0 Ų032.4 Ų32.40%018%0.183CC..EExtended strand (participates in β ladder)trans-142.9134.6179.7-163.766.1000109.5F377 M402 E403 V416 Q420 L429 L430 D431 W544 L549 A557F377-L418 HydrophobicContact CE2-CD1 4.45Å; F377-L418 HydrophobicContact CZ-CD1 4.33Å; M402-L418 WeakPolarHBondContact CA-O 3.29Å; E403-L418 HydrophobicContact CB-CB 4.19Å; E403-L418 PolarHBondContact N-O 2.96Å; E403-L418 PolarHBondContact O-N 2.74Å; V416-L418 VanDerWaalsContact CG1-O 3.29Å; V416-L418 WeakPolarHBondContact CG1-O 3.4Å; L418-Q420 HydrophobicContact CD2-CG 4.5Å; L418-L429 HydrophobicContact CD1-CB 3.95Å; L418-L429 HydrophobicContact CD2-CD2 4.43Å; L418-L429 HydrophobicContact CG-CB 4.43Å; L418-L430 WeakPolarHBondContact CA-O 3.29Å; L418-L430 WeakPolarHBondContact CD1-O 3.47Å; L418-D431 HydrophobicContact CD1-CB 4.46Å; L418-W544 HydrophobicContact CD2-CE3 4.37Å; L418-W544 HydrophobicContact CD2-CZ3 4.14Å; L418-L549 HydrophobicContact CD1-CD1 4.44Å; L418-L549 HydrophobicContact CD2-CD1 3.93Å; L418-A557 HydrophobicContact CD2-CB 3.86Å
419I98.4Very high92.3Very high1 Ų131.1 Ų31.11%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-110.8129.2167.4-58.5169.5000107.9M402 V416 L421 L430 L432 I447 L470 W474M402-I419 HydrophobicContact CE-CG2 4.3Å; M402-I419 HydrophobicContact CG-CG1 4.21Å; M402-I419 HydrophobicContact CG-CG2 4.35Å; M402-I419 HydrophobicContact SD-CG1 4.36Å; V416-I419 HydrophobicContact CG1-CD1 4.46Å; V416-I419 HydrophobicContact CG1-CG1 3.62Å; I419-L421 HydrophobicContact CG2-CD2 4.03Å; I419-L421 HydrophobicContact CG2-CG 4.22Å; I419-L430 HydrophobicContact CB-CB 4.08Å; I419-L430 PolarHBondContact N-O 2.89Å; I419-L430 VanDerWaalsContact N-O 3.09Å; I419-L430 PolarHBondContact O-N 3.36Å; I419-L432 HydrophobicContact CD1-CD1 4.02Å; I419-L432 HydrophobicContact CG1-CD1 4.2Å; I419-I447 HydrophobicContact CD1-CD1 3.96Å; I419-I447 HydrophobicContact CD1-CG1 4.49Å; I419-L470 HydrophobicContact CD1-CD1 4.01Å; I419-W474 HydrophobicContact CD1-CH2 4.02Å; I419-W474 HydrophobicContact CD1-CZ3 4.3Å
420Q98.5Very high93.2Very high0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-104.4125.8178.6-57.186.2-4.300110.2V400 D401 L418 L429 A557 A561V400-Q420 WeakPolarHBondContact CA-O 3.49Å; D401-Q420 HydrophobicContact CB-CB 4.36Å; D401-Q420 PolarHBondContact N-O 2.91Å; D401-Q420 VanDerWaalsContact N-O 3.17Å; D401-Q420 PolarHBondContact O-N 3.45Å; D401-Q420 PolarHBondContact O-OE1 3.48Å; L418-Q420 HydrophobicContact CD2-CG 4.5Å; Q420-L429 HydrophobicContact CB-CD2 4.1Å; Q420-L429 HydrophobicContact CG-CD2 3.53Å; Q420-A557 HydrophobicContact CG-CB 3.86Å; Q420-A557 WeakPolarHBondContact CG-O 3.34Å; Q420-A561 HydrophobicContact CB-CB 3.56Å
421L98.7Very high93.9Very high0 Ų030.2 Ų30.20%017%0.17CC..EExtended strand (participates in β ladder)trans-122.5106177.2-57.5177.9000109V391 V398 G399 V400 I419 F428 L430 F446 L450V391-L421 HydrophobicContact CG1-CD1 4.35Å; V391-L421 HydrophobicContact CG2-CB 4.26Å; V391-L421 HydrophobicContact CG2-CD1 4.36Å; V398-L421 HydrophobicContact CG1-CB 4.35Å; V398-L421 HydrophobicContact CG1-CD2 4.28Å; G399-L421 CarbonylContact O-C 3.56Å; G399-L421 WeakPolarHBondContact O-CA 3.26Å; V400-L421 HydrophobicContact CB-CD2 4.44Å; V400-L421 HydrophobicContact CG1-CD2 4.07Å; V400-L421 HydrophobicContact CG2-CD2 3.91Å; I419-L421 HydrophobicContact CG2-CD2 4.03Å; I419-L421 HydrophobicContact CG2-CG 4.22Å; L421-F428 HydrophobicContact CB-CB 4.39Å; L421-F428 PolarHBondContact N-O 3.3Å; L421-F428 PolarHBondContact O-N 3.43Å; L421-L430 HydrophobicContact CD1-CD1 3.89Å; L421-L430 HydrophobicContact CD1-CD2 4.2Å; L421-L430 HydrophobicContact CG-CD1 4.3Å; L421-F446 HydrophobicContact CD1-CE1 3.67Å; L421-F446 HydrophobicContact CD1-CZ 3.7Å; L421-L450 HydrophobicContact CD1-CD2 4.07Å; L421-L450 HydrophobicContact CD2-CD2 3.82Å
422A98.6Very high94.8Very high0 Ų028.6 Ų28.60%016%0.162CC..EExtended strand (participates in β ladder)trans-95.6132176.600000110.7V398 G399 V427 A561 Y562 L565V398-A422 CarbonylContact C-O 3.53Å; V398-A422 VanDerWaalsContact CA-O 3.26Å; V398-A422 WeakPolarHBondContact CA-O 3.47Å; G399-A422 PolarHBondContact N-O 2.83Å; G399-A422 PolarHBondContact O-N 2.89Å; A422-V427 HydrophobicContact CB-CG2 3.94Å; A422-A561 HydrophobicContact CB-CB 3.83Å; A422-Y562 HydrophobicContact CB-CD2 4.22Å; A422-L565 HydrophobicContact CB-CD1 3.92Å; A422-L565 HydrophobicContact CB-CG 4.35Å
423V97.6Very high95.6Very high15 Ų1528.5 Ų28.59%0.09116%0.157CC..EExtended strand (participates in β ladder)trans-125.4174.7165.2-63.20000108.5F390 V391 V398 D425 Q426 F428 L565F390-V423 HydrophobicContact CB-CG2 4.49Å; V391-V423 HydrophobicContact CG2-CG1 4.2Å; V398-V423 HydrophobicContact CG2-CG1 4.08Å; V423-D425 PolarHBondContact O-N 3.15Å; V423-D425 VanDerWaalsContact O-N 3.16Å; V423-Q426 HydrophobicContact CG2-CB 3.82Å; V423-Q426 PolarHBondContact N-O 3.31Å; V423-Q426 PolarHBondContact O-N 2.99Å; V423-Q426 VanDerWaalsContact O-N 3.16Å; V423-F428 HydrophobicContact CG2-CE2 4.17Å; V423-L565 VanDerWaalsContact C-CD1 3.48Å
424L94.6Very high96.3Very high134 Ų13426 Ų2670%0.70214%0.136SC*.THydrogen-bonded Turntrans-53.9126177.5-172.866.1000110.6Q426L424-Q426 PolarHBondContact O-N 3.1Å; L424-Q426 VanDerWaalsContact O-N 3.14Å
425D93.7Very high96.3Very high92 Ų9232.2 Ų32.249%0.49216%0.162SC..THydrogen-bonded Turntrans60.59.7-180-53-36.3000116.9K374 V423K374-D425 WeakPolarHBondContact CB-O 3.24Å; K374-D425 WeakPolarHBondContact CD-O 3.4Å; V423-D425 PolarHBondContact O-N 3.15Å; V423-D425 VanDerWaalsContact O-N 3.16Å
426Q97.2Very high96Very high23 Ų2328.9 Ų28.911%0.10716%0.157CC..EExtended strand (participates in β ladder)trans-147.2145.4-179.4-54.6-75.912.200112.5K374 H376 F390 V423 L424 F428K374-Q426 WeakPolarHBondContact O-CA 3.39Å; K374-Q426 PolarHBondContact O-OE1 2.97Å; H376-Q426 PolarHBondContact NE2-OE1 2.7Å; F390-Q426 HydrophobicContact CD1-CG 4.49Å; V423-Q426 HydrophobicContact CG2-CB 3.82Å; V423-Q426 PolarHBondContact N-O 3.31Å; V423-Q426 PolarHBondContact O-N 2.99Å; V423-Q426 VanDerWaalsContact O-N 3.16Å; L424-Q426 PolarHBondContact O-N 3.1Å; L424-Q426 VanDerWaalsContact O-N 3.14Å; Q426-F428 HydrophobicContact CB-CE2 4.06Å; Q426-F428 HydrophobicContact CB-CZ 4.46Å
427V98.6Very high95.8Very high0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans-126.5136.1168.5174.10000109.9L370 K374 V375 H376 A422 L429 A558 Y562L370-V427 HydrophobicContact CD1-CB 4.34Å; L370-V427 HydrophobicContact CD1-CG2 3.48Å; L370-V427 VanDerWaalsContact CD1-CG2 3.48Å; K374-V427 PolarHBondContact O-N 3.13Å; V375-V427 CarbonylContact C-O 3.52Å; V375-V427 WeakPolarHBondContact CA-O 3.38Å; V375-V427 HydrophobicContact CG2-CB 4.45Å; H376-V427 PolarHBondContact N-O 2.95Å; A422-V427 HydrophobicContact CB-CG2 3.94Å; V427-L429 HydrophobicContact CG1-CD2 3.72Å; V427-L429 HydrophobicContact CG1-CG 4.29Å; V427-A558 HydrophobicContact CB-CB 4.41Å; V427-A558 HydrophobicContact CG1-CB 4.18Å; V427-A558 HydrophobicContact CG2-CB 4.36Å; V427-Y562 HydrophobicContact CG2-CD2 3.97Å
428F98.7Very high95.5Very high1 Ų129.9 Ų29.90%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-111.2127.2173-60.4-88.9000109.8H376 V378 C387 F390 V391 L421 V423 Q426 L430H376-F428 HydrophobicContact CB-CD1 3.68Å; H376-F428 HydrophobicContact CB-CE1 3.93Å; H376-F428 AromaticContact CD2-CE1 3.79Å; H376-F428 AromaticContact CG-CE1 3.93Å; H376-F428 CarbonylContact O-C 3.53Å; H376-F428 WeakPolarHBondContact O-CA 3.24Å; V378-F428 HydrophobicContact CG2-CB 4.01Å; V378-F428 HydrophobicContact CG2-CD1 3.92Å; V378-F428 HydrophobicContact CG2-CG 4.45Å; C387-F428 HydrophobicContact CB-CB 4.47Å; C387-F428 HydrophobicContact CB-CD1 3.72Å; C387-F428 HydrophobicContact CB-CE1 4.14Å; C387-F428 HydrophobicContact CB-CG 4.07Å; C387-F428 VanDerWaalsContact SG-CG 3.59Å; F390-F428 HydrophobicContact CB-CE2 3.7Å; F390-F428 HydrophobicContact CB-CZ 3.72Å; F390-F428 AromaticContact CD2-CZ 3.78Å; F390-F428 HydrophobicContact CD2-CZ 3.78Å; F390-F428 HydrophobicContact CG-CE2 4.18Å; F390-F428 AromaticContact CG-CZ 3.77Å; F390-F428 HydrophobicContact CG-CZ 3.77Å; V391-F428 HydrophobicContact CG2-CD2 3.99Å; V391-F428 HydrophobicContact CG2-CE2 4.28Å; L421-F428 HydrophobicContact CB-CB 4.39Å; L421-F428 PolarHBondContact N-O 3.3Å; L421-F428 PolarHBondContact O-N 3.43Å; V423-F428 HydrophobicContact CG2-CE2 4.17Å; Q426-F428 HydrophobicContact CB-CE2 4.06Å; Q426-F428 HydrophobicContact CB-CZ 4.46Å; F428-L430 HydrophobicContact CB-CD1 4.1Å
429L98.5Very high95Very high0 Ų037.2 Ų37.20%020%0.198CC..EExtended strand (participates in β ladder)trans-109.6100.5178.8-56.3-177.7000108.5V375 H376 F377 V378 L418 Q420 V427 D431 I554 A557V375-L429 HydrophobicContact CG1-CD1 3.68Å; V375-L429 HydrophobicContact CG1-CG 3.99Å; H376-L429 PolarHBondContact O-N 3.24Å; F377-L429 HydrophobicContact CD2-CB 3.87Å; F377-L429 HydrophobicContact CD2-CD1 4.1Å; F377-L429 HydrophobicContact CE2-CB 3.98Å; F377-L429 HydrophobicContact CE2-CD1 4.02Å; V378-L429 PolarHBondContact N-O 3.22Å; L418-L429 HydrophobicContact CD1-CB 3.95Å; L418-L429 HydrophobicContact CD2-CD2 4.43Å; L418-L429 HydrophobicContact CG-CB 4.43Å; Q420-L429 HydrophobicContact CB-CD2 4.1Å; Q420-L429 HydrophobicContact CG-CD2 3.53Å; V427-L429 HydrophobicContact CG1-CD2 3.72Å; V427-L429 HydrophobicContact CG1-CG 4.29Å; L429-D431 PolarHBondContact O-N 3.39Å; L429-I554 HydrophobicContact CD1-CB 4.49Å; L429-I554 HydrophobicContact CD1-CG2 3.79Å; L429-A557 HydrophobicContact CD2-CB 4.09Å
430L98.4Very high94.6Very high0 Ų040.2 Ų40.20%021%0.211CC..EExtended strand (participates in β ladder)trans-79.6107.5-179.7-79.661.9000109.7V378 L418 I419 L421 F428 L432 L443 F446 I447V378-L430 HydrophobicContact CB-CD1 3.95Å; V378-L430 HydrophobicContact CB-CG 4Å; V378-L430 HydrophobicContact CG1-CD1 4.28Å; V378-L430 HydrophobicContact CG1-CG 4.05Å; V378-L430 HydrophobicContact CG2-CD1 4.07Å; V378-L430 WeakPolarHBondContact O-CA 3.32Å; L418-L430 WeakPolarHBondContact CA-O 3.29Å; L418-L430 WeakPolarHBondContact CD1-O 3.47Å; I419-L430 HydrophobicContact CB-CB 4.08Å; I419-L430 PolarHBondContact N-O 2.89Å; I419-L430 VanDerWaalsContact N-O 3.09Å; I419-L430 PolarHBondContact O-N 3.36Å; L421-L430 HydrophobicContact CD1-CD1 3.89Å; L421-L430 HydrophobicContact CD1-CD2 4.2Å; L421-L430 HydrophobicContact CG-CD1 4.3Å; F428-L430 HydrophobicContact CB-CD1 4.1Å; L430-L432 PolarHBondContact O-N 3.32Å; L430-L443 HydrophobicContact CD2-CD1 3.81Å; L430-F446 HydrophobicContact CD2-CD1 4.24Å; L430-F446 HydrophobicContact CD2-CE1 3.87Å; L430-I447 HydrophobicContact CD2-CD1 4.22Å
431D97.2Very high94.2Very high9 Ų945 Ų455%0.04824%0.242CC..EExtended strand (participates in β ladder)trans-85.495.8-175.4-178.25.6000111.6F377 V378 D379 L418 L429 C433 A434 F437 R547F377-D431 HydrophobicContact CD1-CB 3.93Å; F377-D431 HydrophobicContact CE1-CB 3.42Å; F377-D431 VanDerWaalsContact CE1-CB 3.42Å; F377-D431 VanDerWaalsContact CE1-OD2 3.29Å; F377-D431 WeakPolarHBondContact CE1-OD2 3.27Å; F377-D431 HydrophobicContact CZ-CB 4.03Å; V378-D431 PolarHBondContact O-N 3.32Å; D379-D431 HydrophobicContact CB-CB 4.33Å; L418-D431 HydrophobicContact CD1-CB 4.46Å; L429-D431 PolarHBondContact O-N 3.39Å; D431-C433 PolarHBondContact O-N 3.2Å; D431-C433 WeakPolarHBondContact OD1-CA 3.43Å; D431-C433 WeakPolarHBondContact OD1-CB 3.39Å; D431-C433 PolarHBondContact OD1-N 3.32Å; D431-A434 HydrophobicContact CB-CB 4.16Å; D431-A434 VanDerWaalsContact O-CB 3.28Å; D431-A434 WeakPolarHBondContact O-CB 3.32Å; D431-A434 PolarHBondContact O-N 3.18Å; D431-A434 VanDerWaalsContact O-N 3.17Å; D431-A434 PolarHBondContact OD1-N 3.35Å; D431-F437 VanDerWaalsContact O-CD1 3.22Å; D431-F437 WeakPolarHBondContact O-CD1 3.44Å; D431-R547 IonicContact OD1-CZ 2.7Å; D431-R547 IonicContact OD1-NE 3.5Å; D431-R547 PolarHBondContact OD1-NE 2.83Å; D431-R547 IonicContact OD1-NH2 3.44Å; D431-R547 PolarHBondContact OD1-NH2 3.23Å; D431-R547 WeakPolarHBondContact OD2-CD 3.45Å; D431-R547 IonicContact OD2-CZ 3.35Å; D431-R547 IonicContact OD2-NE 3.91Å; D431-R547 PolarHBondContact OD2-NE 2.98Å; D431-R547 IonicContact OD2-NH2 2.64Å
432L96.1Very high93.9Very high9 Ų949.5 Ų49.55%0.04727%0.267CS..THydrogen-bonded Turntrans-74.7-11.4178.9-54.8-167.4000113.3V416 A417 I419 L430 A434 F437 C438 L443 T473 W474V416-L432 HydrophobicContact CB-CD1 3.9Å; V416-L432 HydrophobicContact CG1-CD1 3.81Å; A417-L432 PolarHBondContact O-N 3.23Å; A417-L432 VanDerWaalsContact O-N 3.07Å; I419-L432 HydrophobicContact CD1-CD1 4.02Å; I419-L432 HydrophobicContact CG1-CD1 4.2Å; L430-L432 PolarHBondContact O-N 3.32Å; L432-A434 VanDerWaalsContact C-N 3.35Å; L432-F437 HydrophobicContact CD2-CD1 4.4Å; L432-F437 HydrophobicContact CD2-CE1 4.34Å; L432-C438 HydrophobicContact CB-CB 4.14Å; L432-C438 VanDerWaalsContact O-CB 3.23Å; L432-C438 WeakPolarHBondContact O-CB 3.47Å; L432-C438 PolarHBondContact O-SG 3.25Å; L432-C438 VanDerWaalsContact O-SG 3.35Å; L432-L443 HydrophobicContact CD2-CD2 3.63Å; L432-T473 HydrophobicContact CD1-CG2 4.09Å; L432-W474 HydrophobicContact CD1-CH2 4.06Å; L432-W474 HydrophobicContact CD1-CZ2 4.15Å; L432-W474 HydrophobicContact CD2-CH2 4.28Å; L432-W474 HydrophobicContact CD2-CZ2 4.11Å
433C94.4Very high93.7Very high49 Ų4949.5 Ų49.533%0.33127%0.267SS..THydrogen-bonded Turntrans-85.4-10.3172.2-57.90000112.4D431 K435 R547D431-C433 PolarHBondContact O-N 3.2Å; D431-C433 WeakPolarHBondContact OD1-CA 3.43Å; D431-C433 WeakPolarHBondContact OD1-CB 3.39Å; D431-C433 PolarHBondContact OD1-N 3.32Å; C433-K435 PolarHBondContact O-N 3.05Å; C433-R547 HydrophobicContact CB-CG 4.34Å; C433-R547 PolarHBondContact SG-NH2 2.62Å; C433-R547 VanDerWaalsContact SG-NH2 3.45Å
434A92.8Very high93.5Very high16 Ų1649 Ų4913%0.13226%0.264CS..SBendtrans-62.4133.2174.600000110.7D379 D431 L432 G436 F437D379-A434 HydrophobicContact CB-CB 3.63Å; D431-A434 HydrophobicContact CB-CB 4.16Å; D431-A434 VanDerWaalsContact O-CB 3.28Å; D431-A434 WeakPolarHBondContact O-CB 3.32Å; D431-A434 PolarHBondContact O-N 3.18Å; D431-A434 VanDerWaalsContact O-N 3.17Å; D431-A434 PolarHBondContact OD1-N 3.35Å; L432-A434 VanDerWaalsContact C-N 3.35Å; A434-G436 PolarHBondContact O-N 2.97Å; A434-G436 VanDerWaalsContact O-N 3.07Å; A434-F437 HydrophobicContact CB-CB 3.88Å; A434-F437 WeakPolarHBondContact O-CB 3.29Å; A434-F437 PolarHBondContact O-N 2.75Å
435K87.8Confident93.4Very high215 Ų21544.3 Ų44.394%0.93525%0.248SC*.THydrogen-bonded Turntrans-60.2116.2-168.8-170.6179.6-178.7-179.20111.2C433 F437C433-K435 PolarHBondContact O-N 3.05Å; K435-F437 PolarHBondContact O-N 2.91Å
436G85.7Confident93.6Very high34 Ų3440.2 Ų40.235%0.35123%0.225SC..THydrogen-bonded Turntrans77.5-3.1177.400000115A434 Q440A434-G436 PolarHBondContact O-N 2.97Å; A434-G436 VanDerWaalsContact O-N 3.07Å; G436-Q440 WeakPolarHBondContact O-CG 3.47Å; G436-Q440 PolarHBondContact O-NE2 3.42Å
437F92Very high93.5Very high5 Ų539.2 Ų39.22%0.02222%0.221CC..THydrogen-bonded Turntrans-74.6-45.3179.9-177.6-110.8000112.4V378 D379 T380 L384 D431 L432 A434 K435 H439 Q440 L443V378-F437 HydrophobicContact CG1-CZ 3.86Å; V378-F437 VanDerWaalsContact O-CE1 3.27Å; V378-F437 WeakPolarHBondContact O-CE1 3.35Å; D379-F437 WeakPolarHBondContact O-CD2 3.09Å; T380-F437 WeakPolarHBondContact O-CE2 3.4Å; L384-F437 HydrophobicContact CB-CE2 4.28Å; L384-F437 HydrophobicContact CB-CZ 4.43Å; L384-F437 HydrophobicContact CD1-CZ 4.45Å; L384-F437 HydrophobicContact CD2-CE2 4.48Å; D431-F437 VanDerWaalsContact O-CD1 3.22Å; D431-F437 WeakPolarHBondContact O-CD1 3.44Å; L432-F437 HydrophobicContact CD2-CD1 4.4Å; L432-F437 HydrophobicContact CD2-CE1 4.34Å; A434-F437 HydrophobicContact CB-CB 3.88Å; A434-F437 WeakPolarHBondContact O-CB 3.29Å; A434-F437 PolarHBondContact O-N 2.75Å; K435-F437 PolarHBondContact O-N 2.91Å; F437-H439 PolarHBondContact O-N 3.35Å; F437-H439 VanDerWaalsContact O-N 3.08Å; F437-Q440 WeakPolarHBondContact O-CB 3.31Å; F437-Q440 VanDerWaalsContact O-CG 3.31Å; F437-Q440 WeakPolarHBondContact O-CG 3.36Å; F437-Q440 PolarHBondContact O-N 2.91Å; F437-L443 HydrophobicContact CD1-CD2 3.84Å; F437-L443 HydrophobicContact CE1-CD1 4.04Å; F437-L443 HydrophobicContact CE1-CD2 3.57Å; F437-L443 HydrophobicContact CE1-CG 4.41Å; F437-L443 HydrophobicContact CG-CD2 4.49Å; F437-L443 HydrophobicContact CZ-CD1 3.91Å; F437-L443 HydrophobicContact CZ-CD2 3.97Å; F437-L443 HydrophobicContact CZ-CG 4.43Å; F437-L443 WeakPolarHBondContact O-CD2 3.33Å
438C90.6Very high93.3Very high25 Ų2542.4 Ų42.417%0.16923%0.233CC..THydrogen-bonded Turntrans-63.7-16.3179.758.10000114.9L432 W474L432-C438 HydrophobicContact CB-CB 4.14Å; L432-C438 VanDerWaalsContact O-CB 3.23Å; L432-C438 WeakPolarHBondContact O-CB 3.47Å; L432-C438 PolarHBondContact O-SG 3.25Å; L432-C438 VanDerWaalsContact O-SG 3.35Å; C438-W474 PolarHBondContact O-NE1 3.15Å
439H88.1Confident93.1Very high154 Ų15444.3 Ų44.371%0.71325%0.248SC*.THydrogen-bonded Turntrans-96.42177.8-57.795.6000113F437 P441F437-H439 PolarHBondContact O-N 3.35Å; F437-H439 VanDerWaalsContact O-N 3.08Å; H439-P441 WeakPolarHBondContact O-CD 3.23Å
440Q89.1Confident93Very high63 Ų6344.3 Ų44.329%0.29425%0.248SC..  trans-72.8124.3178.4-63.5-59.3-42.700110.4L381 G436 F437 D442 L443L381-Q440 HydrophobicContact CD2-CB 4.08Å; L381-Q440 HydrophobicContact CD2-CG 4.07Å; L381-Q440 HydrophobicContact CG-CG 4.5Å; G436-Q440 WeakPolarHBondContact O-CG 3.47Å; G436-Q440 PolarHBondContact O-NE2 3.42Å; F437-Q440 WeakPolarHBondContact O-CB 3.31Å; F437-Q440 VanDerWaalsContact O-CG 3.31Å; F437-Q440 WeakPolarHBondContact O-CG 3.36Å; F437-Q440 PolarHBondContact O-N 2.91Å; Q440-D442 PolarHBondContact O-N 2.99Å; Q440-L443 HydrophobicContact CB-CB 4.31Å; Q440-L443 WeakPolarHBondContact O-CB 3.32Å; Q440-L443 PolarHBondContact O-N 3.43Å; Q440-L443 VanDerWaalsContact O-N 3.12Å
441P90.1Very high92.8Very high100 Ų10044.3 Ų44.365%0.64925%0.249SC*.Hα-helixtrans-58.8-35.4177.2-25.435.2000113.2H439 L443 V444 G445H439-P441 WeakPolarHBondContact O-CD 3.23Å; P441-L443 PolarHBondContact O-N 2.97Å; P441-V444 PolarHBondContact O-N 3.43Å; P441-G445 PolarHBondContact O-N 3.29Å
442D92.8Very high92.7Very high96 Ų9646.1 Ų46.151%0.51326%0.262SS..Hα-helixtrans-60.5-31.9177.6-63.8-78.1000113L381 L384 Q440 F446L381-D442 HydrophobicContact CD2-CB 3.92Å; L384-D442 HydrophobicContact CD2-CB 4.25Å; Q440-D442 PolarHBondContact O-N 2.99Å; D442-F446 VanDerWaalsContact O-CB 3.26Å; D442-F446 WeakPolarHBondContact O-CB 3.3Å; D442-F446 PolarHBondContact O-N 3.37Å
443L94.6Very high92.7Very high0 Ų049.4 Ų49.40%028%0.277CS..Hα-helixtrans-69.1-47.4177175.960.6000110.9L384 L430 L432 F437 Q440 P441 G445 F446 I447 W474L384-L443 HydrophobicContact CD1-CD1 3.95Å; L384-L443 HydrophobicContact CD2-CB 4.15Å; L384-L443 HydrophobicContact CD2-CD1 4.43Å; L430-L443 HydrophobicContact CD2-CD1 3.81Å; L432-L443 HydrophobicContact CD2-CD2 3.63Å; F437-L443 HydrophobicContact CD1-CD2 3.84Å; F437-L443 HydrophobicContact CE1-CD1 4.04Å; F437-L443 HydrophobicContact CE1-CD2 3.57Å; F437-L443 HydrophobicContact CE1-CG 4.41Å; F437-L443 HydrophobicContact CG-CD2 4.49Å; F437-L443 HydrophobicContact CZ-CD1 3.91Å; F437-L443 HydrophobicContact CZ-CD2 3.97Å; F437-L443 HydrophobicContact CZ-CG 4.43Å; F437-L443 WeakPolarHBondContact O-CD2 3.33Å; Q440-L443 HydrophobicContact CB-CB 4.31Å; Q440-L443 WeakPolarHBondContact O-CB 3.32Å; Q440-L443 PolarHBondContact O-N 3.43Å; Q440-L443 VanDerWaalsContact O-N 3.12Å; P441-L443 PolarHBondContact O-N 2.97Å; L443-G445 VanDerWaalsContact C-N 3.32Å; L443-G445 PolarHBondContact O-N 2.78Å; L443-F446 HydrophobicContact CD1-CD1 4.45Å; L443-F446 WeakPolarHBondContact O-CB 3.37Å; L443-F446 PolarHBondContact O-N 3.36Å; L443-I447 WeakPolarHBondContact O-CG1 3.45Å; L443-I447 PolarHBondContact O-N 3.41Å; L443-W474 HydrophobicContact CD2-CH2 4.36Å; L443-W474 HydrophobicContact CD2-CZ2 3.79Å; L443-W474 HydrophobicContact CG-CH2 4.23Å; L443-W474 HydrophobicContact CG-CZ2 3.97Å
444V92.3Very high92.6Very high5 Ų556 Ų563%0.0330%0.295CS..Hα-helixtrans-64.9-41.1176.9-1690000110.2P441 F446 I447 R448 W474 L477P441-V444 PolarHBondContact O-N 3.43Å; V444-F446 VanDerWaalsContact C-N 3.35Å; V444-F446 PolarHBondContact O-N 2.86Å; V444-I447 PolarHBondContact O-N 3.21Å; V444-R448 VanDerWaalsContact CG1-NH1 3.28Å; V444-R448 WeakPolarHBondContact O-CG 3.36Å; V444-R448 PolarHBondContact O-N 2.96Å; V444-W474 HydrophobicContact CG2-CD2 4.01Å; V444-W474 HydrophobicContact CG2-CG 4.02Å; V444-W474 HydrophobicContact CG2-CZ2 4.38Å; V444-L477 HydrophobicContact CG1-CD2 4.34Å
445G93.9Very high92.7Very high35 Ų3559.8 Ų59.836%0.36131%0.313SS..Hα-helixtrans-58.3-43.7173.100000112.7P441 L443 R448 A449P441-G445 PolarHBondContact O-N 3.29Å; L443-G445 VanDerWaalsContact C-N 3.32Å; L443-G445 PolarHBondContact O-N 2.78Å; G445-R448 PolarHBondContact O-N 3.23Å; G445-A449 WeakPolarHBondContact O-CB 3.48Å; G445-A449 PolarHBondContact O-N 3.26Å
446F96Very high93.1Very high6 Ų649.7 Ų49.73%0.02627%0.269CS..Hα-helixtrans-60.6-48.8174.4166-118.5000112.4L384 Q388 V391 L392 L421 L430 D442 L443 V444 R448 A449 L450L384-F446 HydrophobicContact CD1-CB 4.38Å; L384-F446 HydrophobicContact CD1-CD1 3.63Å; L384-F446 HydrophobicContact CD1-CE1 4.14Å; L384-F446 HydrophobicContact CD1-CG 4.08Å; Q388-F446 HydrophobicContact CB-CE2 4.45Å; Q388-F446 HydrophobicContact CG-CB 4.48Å; Q388-F446 HydrophobicContact CG-CD2 3.39Å; Q388-F446 HydrophobicContact CG-CE2 3.69Å; Q388-F446 HydrophobicContact CG-CG 3.99Å; V391-F446 HydrophobicContact CB-CZ 4.32Å; V391-F446 HydrophobicContact CG1-CE2 4.42Å; V391-F446 HydrophobicContact CG1-CZ 4.14Å; L392-F446 HydrophobicContact CD1-CD2 4.12Å; L392-F446 HydrophobicContact CD1-CE2 4.19Å; L392-F446 HydrophobicContact CD2-CE2 4.14Å; L392-F446 HydrophobicContact CG-CD2 4.43Å; L392-F446 HydrophobicContact CG-CE2 4.01Å; L421-F446 HydrophobicContact CD1-CE1 3.67Å; L421-F446 HydrophobicContact CD1-CZ 3.7Å; L430-F446 HydrophobicContact CD2-CD1 4.24Å; L430-F446 HydrophobicContact CD2-CE1 3.87Å; D442-F446 VanDerWaalsContact O-CB 3.26Å; D442-F446 WeakPolarHBondContact O-CB 3.3Å; D442-F446 PolarHBondContact O-N 3.37Å; L443-F446 HydrophobicContact CD1-CD1 4.45Å; L443-F446 WeakPolarHBondContact O-CB 3.37Å; L443-F446 PolarHBondContact O-N 3.36Å; V444-F446 VanDerWaalsContact C-N 3.35Å; V444-F446 PolarHBondContact O-N 2.86Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 2.86Å; F446-A449 PolarHBondContact O-N 3.12Å; F446-A449 VanDerWaalsContact O-N 3.17Å; F446-L450 HydrophobicContact CZ-CD2 4.35Å; F446-L450 WeakPolarHBondContact O-CB 3.43Å; F446-L450 PolarHBondContact O-N 3.35Å
447I95.7Very high93.6Very high1 Ų148.6 Ų48.61%0.00526%0.255CS..Hα-helixtrans-60.7-43.6178.5-65.5-60.6000110.4I419 L430 L443 V444 A449 L450 F451 L470 W474 L482I419-I447 HydrophobicContact CD1-CD1 3.96Å; I419-I447 HydrophobicContact CD1-CG1 4.49Å; L430-I447 HydrophobicContact CD2-CD1 4.22Å; L443-I447 WeakPolarHBondContact O-CG1 3.45Å; L443-I447 PolarHBondContact O-N 3.41Å; V444-I447 PolarHBondContact O-N 3.21Å; I447-A449 PolarHBondContact O-N 3.38Å; I447-L450 PolarHBondContact O-N 3.07Å; I447-F451 HydrophobicContact CG2-CD2 3.78Å; I447-F451 HydrophobicContact CG2-CE2 3.91Å; I447-F451 WeakPolarHBondContact O-CD2 3.3Å; I447-F451 PolarHBondContact O-N 3.28Å; I447-F451 VanDerWaalsContact O-N 3.1Å; I447-L470 HydrophobicContact CG2-CD2 4.31Å; I447-W474 HydrophobicContact CB-CZ3 4.46Å; I447-W474 HydrophobicContact CG1-CH2 4.03Å; I447-W474 HydrophobicContact CG1-CZ3 4.03Å; I447-W474 HydrophobicContact CG2-CZ3 4.33Å; I447-L482 HydrophobicContact CG2-CD2 4.45Å
448R94.5Very high93.9Very high68 Ų6848.3 Ų48.326%0.25725%0.254SS..Hα-helixtrans-58.7-46.8173.5-74.9-175.9176.4114-2.8111.8V444 G445 F446 S452 L477 L482V444-R448 VanDerWaalsContact CG1-NH1 3.28Å; V444-R448 WeakPolarHBondContact O-CG 3.36Å; V444-R448 PolarHBondContact O-N 2.96Å; G445-R448 PolarHBondContact O-N 3.23Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 2.86Å; R448-S452 VanDerWaalsContact O-CB 3.23Å; R448-S452 WeakPolarHBondContact O-CB 3.4Å; R448-S452 PolarHBondContact O-N 3.17Å; R448-S452 PolarHBondContact O-OG 3.31Å; R448-L477 HydrophobicContact CG-CD2 4.46Å; R448-L482 HydrophobicContact CB-CD2 4.45Å; R448-L482 HydrophobicContact CG-CD2 3.83Å
449A94.9Very high94.2Very high40 Ų4047.1 Ų47.133%0.33125%0.246SC..Hα-helixtrans-61.1-46.717900000111.8G445 F446 I447 F451 S452 E453G445-A449 WeakPolarHBondContact O-CB 3.48Å; G445-A449 PolarHBondContact O-N 3.26Å; F446-A449 PolarHBondContact O-N 3.12Å; F446-A449 VanDerWaalsContact O-N 3.17Å; I447-A449 PolarHBondContact O-N 3.38Å; A449-F451 PolarHBondContact O-N 2.91Å; A449-S452 PolarHBondContact O-N 2.89Å; A449-S452 PolarHBondContact O-OG 3.44Å; A449-E453 WeakPolarHBondContact O-CB 3.43Å; A449-E453 PolarHBondContact O-N 3.36Å; A449-E453 VanDerWaalsContact O-N 3.11Å
450L95.9Very high94.7Very high0 Ų039.8 Ų39.80%021%0.212CC..Hα-helixtrans-58.7-51.3179.2175.757.4000112.4V391 L392 V398 L421 F446 I447 I456 K458V391-L450 HydrophobicContact CG1-CD1 3.64Å; V391-L450 HydrophobicContact CG1-CD2 4.03Å; V391-L450 HydrophobicContact CG1-CG 4.44Å; L392-L450 HydrophobicContact CD2-CB 4.16Å; L392-L450 HydrophobicContact CD2-CD1 4.14Å; V398-L450 HydrophobicContact CG2-CD1 4.44Å; L421-L450 HydrophobicContact CD1-CD2 4.07Å; L421-L450 HydrophobicContact CD2-CD2 3.82Å; F446-L450 HydrophobicContact CZ-CD2 4.35Å; F446-L450 WeakPolarHBondContact O-CB 3.43Å; F446-L450 PolarHBondContact O-N 3.35Å; I447-L450 PolarHBondContact O-N 3.07Å; L450-I456 HydrophobicContact CD1-CG2 4.23Å; L450-K458 HydrophobicContact CD1-CD 4.13Å; L450-K458 HydrophobicContact CD1-CG 4.33Å; L450-K458 HydrophobicContact CG-CG 4.49Å; L450-K458 WeakPolarHBondContact O-CD 3.49Å; L450-K458 WeakPolarHBondContact O-CE 3.47Å; L450-K458 PolarHBondContact O-NZ 3.16Å
451F94.9Very high95.1Very high1 Ų138.5 Ų38.50%0.00420%0.204CC..Hα-helixtrans-73.3-27.7-176.3-78.2-72.5000113.2V400 M402 I447 A449 K458 K483 M484 E485 M487V400-F451 HydrophobicContact CG1-CZ 4.04Å; M402-F451 HydrophobicContact CE-CE2 4.44Å; M402-F451 HydrophobicContact CE-CZ 4.18Å; I447-F451 HydrophobicContact CG2-CD2 3.78Å; I447-F451 HydrophobicContact CG2-CE2 3.91Å; I447-F451 WeakPolarHBondContact O-CD2 3.3Å; I447-F451 PolarHBondContact O-N 3.28Å; I447-F451 VanDerWaalsContact O-N 3.1Å; A449-F451 PolarHBondContact O-N 2.91Å; F451-K458 PolarHBondContact O-NZ 3.09Å; F451-K483 CarbonylContact C-O 3.54Å; F451-K483 VanDerWaalsContact O-O 3.05Å; F451-M484 HydrophobicContact CB-SD 3.91Å; F451-M484 HydrophobicContact CD1-CE 3.36Å; F451-M484 HydrophobicContact CD1-SD 3.55Å; F451-M484 VanDerWaalsContact CD1-SD 3.55Å; F451-M484 HydrophobicContact CE1-CE 3.65Å; F451-M484 HydrophobicContact CE1-SD 4.25Å; F451-M484 HydrophobicContact CG-CE 4.28Å; F451-M484 HydrophobicContact CG-SD 3.86Å; F451-E485 PolarHBondContact O-N 3.45Å; F451-M487 HydrophobicContact CE1-SD 4.4Å
452S94.8Very high95.3Very high46 Ų4634.8 Ų34.832%0.32219%0.185SC..Hα-helixtrans-83.5-18.6179.363.60000114.8R448 A449 R454 K483 E485R448-S452 VanDerWaalsContact O-CB 3.23Å; R448-S452 WeakPolarHBondContact O-CB 3.4Å; R448-S452 PolarHBondContact O-N 3.17Å; R448-S452 PolarHBondContact O-OG 3.31Å; A449-S452 PolarHBondContact O-N 2.89Å; A449-S452 PolarHBondContact O-OG 3.44Å; S452-R454 PolarHBondContact O-N 3.02Å; S452-K483 PolarHBondContact N-O 3.39Å; S452-E485 WeakPolarHBondContact O-CB 3.42Å
453E95.1Very high95.3Very high79 Ų7930.7 Ų30.737%0.36916%0.162SC..  trans-74.6114.5-178.5-178.248.7-106.300112A449 N455 I456 K458A449-E453 WeakPolarHBondContact O-CB 3.43Å; A449-E453 PolarHBondContact O-N 3.36Å; A449-E453 VanDerWaalsContact O-N 3.11Å; E453-N455 PolarHBondContact O-N 3.27Å; E453-N455 PolarHBondContact OE1-N 3.17Å; E453-I456 HydrophobicContact CB-CD1 3.98Å; E453-I456 HydrophobicContact CB-CG1 4.35Å; E453-I456 HydrophobicContact CG-CB 4.24Å; E453-I456 HydrophobicContact CG-CD1 3.59Å; E453-I456 HydrophobicContact CG-CG1 3.68Å; E453-K458 PolarHBondContact O-NZ 3.02Å
454R93.9Very high95.1Very high188 Ų18836.2 Ų36.271%0.70920%0.196SC*.THydrogen-bonded Turntrans-73.3-29-174.7-173.5179.2179.1-165.51.1112.9S452 I456 E485S452-R454 PolarHBondContact O-N 3.02Å; R454-I456 VanDerWaalsContact C-N 3.27Å; R454-I456 PolarHBondContact O-N 3.26Å; R454-E485 HydrophobicContact CB-CB 4.19Å
455N94Very high95Very high95 Ų9537.5 Ų37.551%0.50821%0.21SC..THydrogen-bonded Turntrans-80.1-10.1-177-67.6-27.5000113.1S395 E453S395-N455 VanDerWaalsContact CA-O 3.23Å; S395-N455 WeakPolarHBondContact CA-O 3.49Å; S395-N455 PolarHBondContact N-O 3.06Å; E453-N455 PolarHBondContact O-N 3.27Å; E453-N455 PolarHBondContact OE1-N 3.17Å
456I95.9Very high94.9Very high3 Ų336.3 Ų36.32%0.01520%0.196CC..SBendtrans-98.5121.3172.6-59.1168.7000108.1L392 G396 V398 L450 E453 R454 K458L392-I456 HydrophobicContact CB-CD1 4.36Å; L392-I456 HydrophobicContact CD2-CD1 3.86Å; G396-I456 WeakPolarHBondContact O-CA 3.35Å; V398-I456 HydrophobicContact CB-CG2 4.49Å; V398-I456 HydrophobicContact CG2-CG2 3.59Å; L450-I456 HydrophobicContact CD1-CG2 4.23Å; E453-I456 HydrophobicContact CB-CD1 3.98Å; E453-I456 HydrophobicContact CB-CG1 4.35Å; E453-I456 HydrophobicContact CG-CB 4.24Å; E453-I456 HydrophobicContact CG-CD1 3.59Å; E453-I456 HydrophobicContact CG-CG1 3.68Å; R454-I456 VanDerWaalsContact C-N 3.27Å; R454-I456 PolarHBondContact O-N 3.26Å; I456-K458 HydrophobicContact CB-CD 4.29Å; I456-K458 HydrophobicContact CG2-CD 3.9Å; I456-K458 WeakPolarHBondContact O-CD 3.48Å; I456-K458 WeakPolarHBondContact O-CE 3.33Å; I456-K458 PolarHBondContact O-NZ 3.21Å
457L96.8Very high94.7Very high10 Ų1038.3 Ų38.35%0.05221%0.207CC..EExtended strand (participates in β ladder)trans-81.7115.1174.2179.264.9000109.4G396 V397 V398 L459 G486 L488 Y568G396-L457 PolarHBondContact O-N 3.32Å; V397-L457 CarbonylContact C-O 3.6Å; V397-L457 WeakPolarHBondContact CA-O 3.46Å; V397-L457 HydrophobicContact CG1-CB 4.44Å; V397-L457 HydrophobicContact CG1-CD2 4.15Å; V397-L457 HydrophobicContact CG1-CG 4.38Å; V397-L457 HydrophobicContact CG2-CB 4.3Å; V397-L457 HydrophobicContact CG2-CD2 4.28Å; V398-L457 PolarHBondContact N-O 3.39Å; L457-L459 HydrophobicContact CD1-CD2 4.45Å; L457-L459 HydrophobicContact CD2-CD2 3.91Å; L457-L459 HydrophobicContact CG-CD2 3.93Å; L457-G486 CarbonylContact C-O 3.58Å; L457-G486 WeakPolarHBondContact CA-O 3.21Å; L457-L488 HydrophobicContact CD1-CB 3.89Å; L457-Y568 HydrophobicContact CD2-CE1 3.84Å; L457-Y568 HydrophobicContact CD2-CE2 3.98Å; L457-Y568 VanDerWaalsContact CD2-CZ 3.49Å; L457-Y568 WeakPolarHBondContact CD2-OH 3.33Å
458K97.6Very high94.5Very high0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-95.6125.8172.4-72.175.959.3166.90109.3V398 V400 L450 F451 E453 I456 E485 G486 M487 L488V398-K458 CarbonylContact O-C 3.59Å; V398-K458 WeakPolarHBondContact O-CA 3.41Å; V400-K458 HydrophobicContact CG2-CB 4.32Å; V400-K458 HydrophobicContact CG2-CG 4.23Å; L450-K458 HydrophobicContact CD1-CD 4.13Å; L450-K458 HydrophobicContact CD1-CG 4.33Å; L450-K458 HydrophobicContact CG-CG 4.49Å; L450-K458 WeakPolarHBondContact O-CD 3.49Å; L450-K458 WeakPolarHBondContact O-CE 3.47Å; L450-K458 PolarHBondContact O-NZ 3.16Å; F451-K458 PolarHBondContact O-NZ 3.09Å; E453-K458 PolarHBondContact O-NZ 3.02Å; I456-K458 HydrophobicContact CB-CD 4.29Å; I456-K458 HydrophobicContact CG2-CD 3.9Å; I456-K458 WeakPolarHBondContact O-CD 3.48Å; I456-K458 WeakPolarHBondContact O-CE 3.33Å; I456-K458 PolarHBondContact O-NZ 3.21Å; K458-E485 WeakPolarHBondContact CE-O 3.37Å; K458-E485 PolarHBondContact NZ-O 2.88Å; K458-G486 PolarHBondContact N-O 3.37Å; K458-M487 HydrophobicContact CB-CE 4.47Å; K458-M487 HydrophobicContact CB-SD 3.48Å; K458-M487 WeakPolarHBondContact CB-SD 3.27Å; K458-M487 CarbonylContact O-C 3.49Å; K458-M487 WeakPolarHBondContact O-CA 3.46Å; K458-L488 PolarHBondContact O-N 2.98Å
459L98.3Very high94.4Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-102.2137.9173.9-53.7179.9000108.6V397 V398 V400 L457 L488 L564 L565 Y568V397-L459 HydrophobicContact CG1-CD1 3.64Å; V397-L459 HydrophobicContact CG1-CD2 4.43Å; V397-L459 HydrophobicContact CG1-CG 3.83Å; V398-L459 PolarHBondContact O-N 2.88Å; V400-L459 PolarHBondContact N-O 3.47Å; L457-L459 HydrophobicContact CD1-CD2 4.45Å; L457-L459 HydrophobicContact CD2-CD2 3.91Å; L457-L459 HydrophobicContact CG-CD2 3.93Å; L459-L488 WeakPolarHBondContact CA-O 3.49Å; L459-L488 HydrophobicContact CD2-CB 3.96Å; L459-L488 HydrophobicContact CD2-CD2 3.95Å; L459-L488 HydrophobicContact CD2-CG 4.28Å; L459-L564 HydrophobicContact CB-CB 4.07Å; L459-L564 HydrophobicContact CD1-CB 4.42Å; L459-L564 WeakPolarHBondContact CD1-O 3.44Å; L459-L565 HydrophobicContact CD1-CD2 4.11Å; L459-Y568 VanDerWaalsContact CD1-CB 3.42Å; L459-Y568 HydrophobicContact CD1-CD1 4.1Å; L459-Y568 HydrophobicContact CD1-CD2 4.44Å; L459-Y568 HydrophobicContact CD1-CG 3.74Å; L459-Y568 HydrophobicContact CD2-CD2 3.97Å; L459-Y568 HydrophobicContact CD2-CE2 4.44Å; L459-Y568 HydrophobicContact CD2-CG 4.08Å
460G97.4Very high94.3Very high0 Ų039.7 Ų39.70%021%0.208CC..EExtended strand (participates in β ladder)trans-152.3175.6173.300000109.8M487 L488 L490G460-M487 VanDerWaalsContact N-CE 3.28Å; G460-L488 PolarHBondContact N-O 3.5Å; G460-L490 PolarHBondContact O-N 2.93Å
461Y97.1Very high94Very high35 Ų3541.7 Ų41.714%0.13722%0.221CC..SBendtrans-134.7103.1178.3-171.2-80.8000110.5L490 L491 H494 G522 L523 L526Y461-L490 HydrophobicContact CD2-CB 4.07Å; Y461-L491 HydrophobicContact CD2-CB 4.34Å; Y461-L491 HydrophobicContact CE1-CB 4.36Å; Y461-L491 HydrophobicContact CE1-CD1 3.9Å; Y461-L491 HydrophobicContact CE2-CB 4.21Å; Y461-L491 HydrophobicContact CE2-CD1 4.3Å; Y461-L491 HydrophobicContact CG-CB 4.48Å; Y461-L491 VanDerWaalsContact OH-CD1 3.32Å; Y461-L491 WeakPolarHBondContact OH-CD1 3.49Å; Y461-H494 HydrophobicContact CE2-CB 4.23Å; Y461-H494 AromaticContact CE2-ND1 3.84Å; Y461-H494 AromaticContact CZ-ND1 3.81Å; Y461-H494 PolarHBondContact OH-ND1 2.89Å; Y461-G522 VanDerWaalsContact CZ-C 3.45Å; Y461-G522 WeakPolarHBondContact OH-CA 3.43Å; Y461-G522 PolarHBondContact OH-O 3.4Å; Y461-L523 HydrophobicContact CD1-CB 3.8Å; Y461-L523 HydrophobicContact CD2-CB 4.11Å; Y461-L523 HydrophobicContact CD2-CD1 3.68Å; Y461-L523 HydrophobicContact CD2-CG 4.46Å; Y461-L523 HydrophobicContact CE1-CB 4.1Å; Y461-L523 VanDerWaalsContact CE1-N 3.29Å; Y461-L523 HydrophobicContact CE2-CB 4.37Å; Y461-L523 HydrophobicContact CE2-CD1 4.33Å; Y461-L523 HydrophobicContact CG-CB 3.83Å; Y461-L523 HydrophobicContact CG-CD1 3.91Å; Y461-L523 HydrophobicContact CG-CG 4.32Å; Y461-L523 VanDerWaalsContact CZ-N 3.35Å; Y461-L526 HydrophobicContact CD2-CD2 4.05Å; Y461-L526 HydrophobicContact CE2-CB 4.34Å; Y461-L526 HydrophobicContact CE2-CD2 3.87Å
462G94.8Very high93.8Very high23 Ų2343.6 Ų43.624%0.23724%0.237CC..SBendtrans70.140177.900000114.5T464 D489G462-T464 PolarHBondContact O-N 3.19Å; G462-D489 PolarHBondContact N-OD1 3.14Å
463M92.1Very high93.7Very high9 Ų942.4 Ų42.44%0.04423%0.228CC..THydrogen-bonded Turntrans-58.6-3.8-170.3-65-58.7-66.500117.3V400 M402 G465 D466 L467 M487V400-M463 HydrophobicContact CG1-CE 4.09Å; M402-M463 HydrophobicContact CE-CE 4.34Å; M463-G465 VanDerWaalsContact C-N 3.25Å; M463-G465 PolarHBondContact O-N 2.97Å; M463-D466 WeakPolarHBondContact CA-OD2 3.19Å; M463-D466 HydrophobicContact CE-CB 3.73Å; M463-D466 PolarHBondContact O-N 3.1Å; M463-D466 HydrophobicContact SD-CB 4.33Å; M463-L467 HydrophobicContact CB-CD1 4.5Å; M463-L467 WeakPolarHBondContact O-CB 3.14Å; M463-L467 VanDerWaalsContact O-CG 3.27Å; M463-L467 WeakPolarHBondContact O-CG 3.47Å; M463-L467 PolarHBondContact O-N 3.02Å; M463-M487 HydrophobicContact CG-CE 3.55Å; M463-M487 HydrophobicContact SD-CE 4.35Å
464T90.9Very high93.5Very high116 Ų11639.2 Ų39.271%0.71221%0.213SC*.Hα-helixtrans-59.6-37.7-179.2-54.40000111.9G462 K468G462-T464 PolarHBondContact O-N 3.19Å; T464-K468 PolarHBondContact O-N 2.92Å
465G90Very high93.1Very high32 Ų3234.8 Ų34.833%0.3321%0.209SC..Hα-helixtrans-69.1-45.9177.400000112M463 K468 C469M463-G465 VanDerWaalsContact C-N 3.25Å; M463-G465 PolarHBondContact O-N 2.97Å; G465-K468 WeakPolarHBondContact O-CB 3.36Å; G465-K468 PolarHBondContact O-N 3.02Å; G465-C469 PolarHBondContact O-N 2.96Å; G465-C469 PolarHBondContact O-SG 3.07Å; G465-C469 VanDerWaalsContact O-SG 3.37Å
466D93.4Very high92.8Very high10 Ų1035.3 Ų35.35%0.05321%0.208CC..Hα-helixtrans-57.8-51.4178-54.3-91000111.4M402 M463 K468 C469 L470M402-D466 HydrophobicContact CB-CB 4.38Å; M402-D466 WeakPolarHBondContact CB-OD1 3.42Å; M402-D466 HydrophobicContact CG-CB 4.24Å; M402-D466 HydrophobicContact SD-CB 3.92Å; M463-D466 WeakPolarHBondContact CA-OD2 3.19Å; M463-D466 HydrophobicContact CE-CB 3.73Å; M463-D466 PolarHBondContact O-N 3.1Å; M463-D466 HydrophobicContact SD-CB 4.33Å; D466-K468 VanDerWaalsContact C-N 3.27Å; D466-K468 PolarHBondContact O-N 3.45Å; D466-C469 PolarHBondContact O-N 2.93Å; D466-C469 VanDerWaalsContact O-N 3.14Å; D466-L470 WeakPolarHBondContact O-CB 3.48Å; D466-L470 PolarHBondContact O-N 2.73Å
467L91.4Very high92.3Very high48 Ų4835.3 Ų35.325%0.25121%0.208SC..Hα-helixtrans-62.2-35.1179.1-67.3174.5000112.2M463 L470 S471 M484M463-L467 HydrophobicContact CB-CD1 4.5Å; M463-L467 WeakPolarHBondContact O-CB 3.14Å; M463-L467 VanDerWaalsContact O-CG 3.27Å; M463-L467 WeakPolarHBondContact O-CG 3.47Å; M463-L467 PolarHBondContact O-N 3.02Å; L467-L470 HydrophobicContact CD2-CD2 4.29Å; L467-L470 PolarHBondContact O-N 2.85Å; L467-S471 PolarHBondContact O-N 3.39Å; L467-S471 PolarHBondContact O-OG 3.48Å; L467-M484 HydrophobicContact CD1-CE 4.2Å; L467-M484 HydrophobicContact CD2-CE 4.06Å; L467-M484 HydrophobicContact CD2-SD 4.06Å
468K90.6Very high91.5Very high133 Ų13339 Ų3958%0.57824%0.235SC*.Hα-helixtrans-65.7-45.2174.8-176-175.1177.4-172.60111.4T464 G465 D466 L470 A472T464-K468 PolarHBondContact O-N 2.92Å; G465-K468 WeakPolarHBondContact O-CB 3.36Å; G465-K468 PolarHBondContact O-N 3.02Å; D466-K468 VanDerWaalsContact C-N 3.27Å; D466-K468 PolarHBondContact O-N 3.45Å; K468-L470 VanDerWaalsContact C-N 3.32Å; K468-A472 PolarHBondContact O-N 3.46Å; K468-A472 VanDerWaalsContact O-N 3.14Å
469C92.4Very high90.8Very high5 Ų547.5 Ų47.53%0.03427%0.274CS..Hα-helixtrans-65.3-38.5176.3-640000111.1W404 V416 G465 D466 A472 T473W404-C469 HydrophobicContact CD2-CB 4.37Å; W404-C469 HydrophobicContact CE3-CB 4.1Å; V416-C469 HydrophobicContact CG2-CB 3.72Å; G465-C469 PolarHBondContact O-N 2.96Å; G465-C469 PolarHBondContact O-SG 3.07Å; G465-C469 VanDerWaalsContact O-SG 3.37Å; D466-C469 PolarHBondContact O-N 2.93Å; D466-C469 VanDerWaalsContact O-N 3.14Å; C469-A472 CarbonylContact O-C 3.39Å; C469-A472 WeakPolarHBondContact O-CB 3.41Å; C469-A472 PolarHBondContact O-N 3.09Å; C469-A472 VanDerWaalsContact O-N 3.16Å; C469-T473 PolarHBondContact O-N 3.06Å; C469-T473 PolarHBondContact O-OG1 2.76Å; C469-T473 VanDerWaalsContact O-OG1 3.08Å
470L92.8Very high90.3Very high0 Ų053.6 Ų53.60%030%0.303CS..Hα-helixtrans-61.6-46.2177.4-163.869.4000111.9M402 V416 I419 I447 D466 L467 K468 A472 T473 W474 L477 L482M402-L470 HydrophobicContact CE-CD1 4.07Å; M402-L470 HydrophobicContact CE-CD2 4.07Å; M402-L470 HydrophobicContact SD-CB 4.32Å; M402-L470 HydrophobicContact SD-CD1 3.89Å; V416-L470 HydrophobicContact CG2-CB 4.44Å; V416-L470 HydrophobicContact CG2-CD1 4.28Å; I419-L470 HydrophobicContact CD1-CD1 4.01Å; I447-L470 HydrophobicContact CG2-CD2 4.31Å; D466-L470 WeakPolarHBondContact O-CB 3.48Å; D466-L470 PolarHBondContact O-N 2.73Å; L467-L470 HydrophobicContact CD2-CD2 4.29Å; L467-L470 PolarHBondContact O-N 2.85Å; K468-L470 VanDerWaalsContact C-N 3.32Å; L470-A472 VanDerWaalsContact C-N 3.27Å; L470-A472 PolarHBondContact O-N 2.89Å; L470-T473 WeakPolarHBondContact O-CB 3.37Å; L470-T473 PolarHBondContact O-N 3.33Å; L470-T473 VanDerWaalsContact O-N 3.14Å; L470-W474 HydrophobicContact CD1-CE3 3.85Å; L470-W474 HydrophobicContact CD1-CH2 4.38Å; L470-W474 HydrophobicContact CD1-CZ3 3.41Å; L470-W474 VanDerWaalsContact CD1-CZ3 3.41Å; L470-W474 HydrophobicContact CG-CE3 4.19Å; L470-W474 HydrophobicContact CG-CZ3 4.17Å; L470-W474 PolarHBondContact O-N 3.15Å; L470-W474 VanDerWaalsContact O-N 3.07Å; L470-L477 HydrophobicContact CD2-CD1 4.44Å; L470-L477 HydrophobicContact CG-CD1 4.13Å; L470-L482 HydrophobicContact CD2-CD1 3.4Å; L470-L482 HydrophobicContact CG-CD1 4.42Å
471S91.1Very high89.8Confident42 Ų4258.4 Ų58.429%0.29433%0.334SS..Hα-helixtrans-65.1-30174.5-62.80000112.8L467 W474L467-S471 PolarHBondContact O-N 3.39Å; L467-S471 PolarHBondContact O-OG 3.48Å; S471-W474 CarbonylContact O-C 3.53Å
472A90.4Very high89.4Confident41 Ų4158.2 Ų58.234%0.33934%0.335SS..Hα-helixtrans-75.2-27.2173.500000112.9K468 C469 L470K468-A472 PolarHBondContact O-N 3.46Å; K468-A472 VanDerWaalsContact O-N 3.14Å; C469-A472 CarbonylContact O-C 3.39Å; C469-A472 WeakPolarHBondContact O-CB 3.41Å; C469-A472 PolarHBondContact O-N 3.09Å; C469-A472 VanDerWaalsContact O-N 3.16Å; L470-A472 VanDerWaalsContact C-N 3.27Å; L470-A472 PolarHBondContact O-N 2.89Å
473T92.3Very high89.2Confident21 Ų2163.1 Ų63.113%0.12935%0.35CS..Hα-helixtrans-69.4-47.7172.5-60.40000111.3V416 L432 C469 L470V416-T473 PolarHBondContact N-OG1 3.15Å; L432-T473 HydrophobicContact CD1-CG2 4.09Å; C469-T473 PolarHBondContact O-N 3.06Å; C469-T473 PolarHBondContact O-OG1 2.76Å; C469-T473 VanDerWaalsContact O-OG1 3.08Å; L470-T473 WeakPolarHBondContact O-CB 3.37Å; L470-T473 PolarHBondContact O-N 3.33Å; L470-T473 VanDerWaalsContact O-N 3.14Å
474W91.3Very high89.2Confident13 Ų1365.8 Ų65.85%0.04936%0.363CS..  trans-119.299.6-177.9-65.5-57.3000111.6I419 L432 C438 L443 V444 I447 L470 S471 E476 L477I419-W474 HydrophobicContact CD1-CH2 4.02Å; I419-W474 HydrophobicContact CD1-CZ3 4.3Å; L432-W474 HydrophobicContact CD1-CH2 4.06Å; L432-W474 HydrophobicContact CD1-CZ2 4.15Å; L432-W474 HydrophobicContact CD2-CH2 4.28Å; L432-W474 HydrophobicContact CD2-CZ2 4.11Å; C438-W474 PolarHBondContact O-NE1 3.15Å; L443-W474 HydrophobicContact CD2-CH2 4.36Å; L443-W474 HydrophobicContact CD2-CZ2 3.79Å; L443-W474 HydrophobicContact CG-CH2 4.23Å; L443-W474 HydrophobicContact CG-CZ2 3.97Å; V444-W474 HydrophobicContact CG2-CD2 4.01Å; V444-W474 HydrophobicContact CG2-CG 4.02Å; V444-W474 HydrophobicContact CG2-CZ2 4.38Å; I447-W474 HydrophobicContact CB-CZ3 4.46Å; I447-W474 HydrophobicContact CG1-CH2 4.03Å; I447-W474 HydrophobicContact CG1-CZ3 4.03Å; I447-W474 HydrophobicContact CG2-CZ3 4.33Å; L470-W474 HydrophobicContact CD1-CE3 3.85Å; L470-W474 HydrophobicContact CD1-CH2 4.38Å; L470-W474 HydrophobicContact CD1-CZ3 3.41Å; L470-W474 VanDerWaalsContact CD1-CZ3 3.41Å; L470-W474 HydrophobicContact CG-CE3 4.19Å; L470-W474 HydrophobicContact CG-CZ3 4.17Å; L470-W474 PolarHBondContact O-N 3.15Å; L470-W474 VanDerWaalsContact O-N 3.07Å; S471-W474 CarbonylContact O-C 3.53Å; W474-E476 PolarHBondContact O-N 2.81Å; W474-E476 VanDerWaalsContact O-N 3.11Å; W474-L477 HydrophobicContact CB-CD1 4.07Å; W474-L477 HydrophobicContact CB-CG 3.97Å; W474-L477 HydrophobicContact CE3-CD1 4.02Å; W474-L477 WeakPolarHBondContact O-CB 3.39Å; W474-L477 PolarHBondContact O-N 3.41Å
475P84.8Confident89.3Confident95 Ų9563.2 Ų63.262%0.61734%0.343SS*.THydrogen-bonded Turntrans-56.7-29.2-179.5-26.935.3000114.2L477 S478P475-L477 PolarHBondContact O-N 2.97Å; P475-L477 VanDerWaalsContact O-N 3.14Å; P475-S478 VanDerWaalsContact O-CB 3.25Å; P475-S478 WeakPolarHBondContact O-CB 3.34Å; P475-S478 PolarHBondContact O-N 3.48Å; P475-S478 PolarHBondContact O-OG 2.94Å
476E87.5Confident89.4Confident105 Ų10562.9 Ų62.949%0.49134%0.339SS..Hα-helixtrans-56.3-27.1176.2-58.9166.2172.400112.8W474 S478 E479 E480W474-E476 PolarHBondContact O-N 2.81Å; W474-E476 VanDerWaalsContact O-N 3.11Å; E476-S478 PolarHBondContact O-N 3.21Å; E476-E479 PolarHBondContact O-N 3.27Å; E476-E480 PolarHBondContact O-N 2.82Å; E476-E480 VanDerWaalsContact O-N 3.09Å
477L85.3Confident89.5Confident4 Ų464.2 Ų64.22%0.02135%0.346CS..Hα-helixtrans-75-13175.9-59-176.7000113.1V444 R448 L470 W474 P475 E480 P481 L482V444-L477 HydrophobicContact CG1-CD2 4.34Å; R448-L477 HydrophobicContact CG-CD2 4.46Å; L470-L477 HydrophobicContact CD2-CD1 4.44Å; L470-L477 HydrophobicContact CG-CD1 4.13Å; W474-L477 HydrophobicContact CB-CD1 4.07Å; W474-L477 HydrophobicContact CB-CG 3.97Å; W474-L477 HydrophobicContact CE3-CD1 4.02Å; W474-L477 WeakPolarHBondContact O-CB 3.39Å; W474-L477 PolarHBondContact O-N 3.41Å; P475-L477 PolarHBondContact O-N 2.97Å; P475-L477 VanDerWaalsContact O-N 3.14Å; L477-E480 CarbonylContact O-C 3.55Å; L477-P481 WeakPolarHBondContact O-CA 3.15Å; L477-L482 HydrophobicContact CD1-CD1 3.78Å; L477-L482 HydrophobicContact CD1-CG 4.06Å; L477-L482 HydrophobicContact CD2-CD2 3.98Å; L477-L482 HydrophobicContact CD2-CG 3.91Å; L477-L482 HydrophobicContact CG-CG 4.48Å
478S81.1Confident89.7Confident87 Ų8762 Ų6261%0.60833%0.334SS*.Hα-helixtrans-81.3-29.6172.3-57.80000111.9P475 E476P475-S478 VanDerWaalsContact O-CB 3.25Å; P475-S478 WeakPolarHBondContact O-CB 3.34Å; P475-S478 PolarHBondContact O-N 3.48Å; P475-S478 PolarHBondContact O-OG 2.94Å; E476-S478 PolarHBondContact O-N 3.21Å
479E83.2Confident89.9Confident179 Ų17956.8 Ų56.884%0.83631%0.313SS*.Hα-helixtrans-80.9-44.2176.2-62.7-174.6176.500111.2E476E476-E479 PolarHBondContact O-N 3.27Å
480E86.4Confident90.1Very high128 Ų12856.6 Ų56.660%0.59831%0.311SS*.SBendtrans-120.693.9174.6-169.3179.8-166.400110E476 L477E476-E480 PolarHBondContact O-N 2.82Å; E476-E480 VanDerWaalsContact O-N 3.09Å; L477-E480 CarbonylContact O-C 3.55Å
481P87.1Confident90.3Very high101 Ų10158.9 Ų58.966%0.65632%0.323SS*.PPolyproline II helixtrans-57.6141.6-178.1-2634.8000113.3L477 K483L477-P481 WeakPolarHBondContact O-CA 3.15Å; P481-K483 PolarHBondContact O-N 3.35Å
482L88.6Confident90.4Very high31 Ų3161.4 Ų61.416%0.16233%0.329CS..PPolyproline II helixtrans-57.5124.8175.2-78.9168.1000111.3I447 R448 L470 L477 M484I447-L482 HydrophobicContact CG2-CD2 4.45Å; R448-L482 HydrophobicContact CB-CD2 4.45Å; R448-L482 HydrophobicContact CG-CD2 3.83Å; L470-L482 HydrophobicContact CD2-CD1 3.4Å; L470-L482 HydrophobicContact CG-CD1 4.42Å; L477-L482 HydrophobicContact CD1-CD1 3.78Å; L477-L482 HydrophobicContact CD1-CG 4.06Å; L477-L482 HydrophobicContact CD2-CD2 3.98Å; L477-L482 HydrophobicContact CD2-CG 3.91Å; L477-L482 HydrophobicContact CG-CG 4.48Å; L482-M484 HydrophobicContact CB-SD 4.28Å; L482-M484 PolarHBondContact O-N 2.95Å
483K91.1Very high90.6Very high125 Ų12559.4 Ų59.454%0.54331%0.313SS..PPolyproline II helixtrans-73120.1167.7-168.2-174.5-178.7-163.70108.8F451 S452 P481 E485F451-K483 CarbonylContact C-O 3.54Å; F451-K483 VanDerWaalsContact O-O 3.05Å; S452-K483 PolarHBondContact N-O 3.39Å; P481-K483 PolarHBondContact O-N 3.35Å; K483-E485 HydrophobicContact CD-CG 4.09Å; K483-E485 WeakPolarHBondContact CE-OE1 3.21Å; K483-E485 HydrophobicContact CG-CG 4.09Å; K483-E485 IonicContact NZ-OE1 3.92Å; K483-E485 PolarHBondContact NZ-OE1 3.22Å
484M91.6Very high90.7Very high65 Ų6558.6 Ų58.632%0.3231%0.307SS..  trans-106.592.1-177.6-62.4-63.6-65.900110.1F451 L467 L482 M487F451-M484 HydrophobicContact CB-SD 3.91Å; F451-M484 HydrophobicContact CD1-CE 3.36Å; F451-M484 HydrophobicContact CD1-SD 3.55Å; F451-M484 VanDerWaalsContact CD1-SD 3.55Å; F451-M484 HydrophobicContact CE1-CE 3.65Å; F451-M484 HydrophobicContact CE1-SD 4.25Å; F451-M484 HydrophobicContact CG-CE 4.28Å; F451-M484 HydrophobicContact CG-SD 3.86Å; L467-M484 HydrophobicContact CD1-CE 4.2Å; L467-M484 HydrophobicContact CD2-CE 4.06Å; L467-M484 HydrophobicContact CD2-SD 4.06Å; L482-M484 HydrophobicContact CB-SD 4.28Å; L482-M484 PolarHBondContact O-N 2.95Å; M484-M487 HydrophobicContact CE-CG 4.29Å; M484-M487 HydrophobicContact CE-SD 4.17Å
485E93.6Very high90.8Very high63 Ų6362.5 Ų62.529%0.29433%0.326SS..  trans-108.5156.4175.9-68-71.4177.500110.3F451 S452 R454 K458 K483 M487F451-E485 PolarHBondContact O-N 3.45Å; S452-E485 WeakPolarHBondContact O-CB 3.42Å; R454-E485 HydrophobicContact CB-CB 4.19Å; K458-E485 WeakPolarHBondContact CE-O 3.37Å; K458-E485 PolarHBondContact NZ-O 2.88Å; K483-E485 HydrophobicContact CD-CG 4.09Å; K483-E485 WeakPolarHBondContact CE-OE1 3.21Å; K483-E485 HydrophobicContact CG-CG 4.09Å; K483-E485 IonicContact NZ-OE1 3.92Å; K483-E485 PolarHBondContact NZ-OE1 3.22Å; E485-M487 PolarHBondContact O-N 2.8Å; E485-M487 VanDerWaalsContact O-N 3.11Å
486G92.7Very high91.1Very high24 Ų2462 Ų6225%0.24732%0.315CS..SBendtrans58.428.3173.300000114.7L457 K458L457-G486 CarbonylContact C-O 3.58Å; L457-G486 WeakPolarHBondContact CA-O 3.21Å; K458-G486 PolarHBondContact N-O 3.37Å
487M93.9Very high91.2Very high39 Ų3957 Ų5719%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-98.3131.9-179.1-173.176.7-154.600111.3F451 K458 G460 M463 M484 E485F451-M487 HydrophobicContact CE1-SD 4.4Å; K458-M487 HydrophobicContact CB-CE 4.47Å; K458-M487 HydrophobicContact CB-SD 3.48Å; K458-M487 WeakPolarHBondContact CB-SD 3.27Å; K458-M487 CarbonylContact O-C 3.49Å; K458-M487 WeakPolarHBondContact O-CA 3.46Å; G460-M487 VanDerWaalsContact N-CE 3.28Å; M463-M487 HydrophobicContact CG-CE 3.55Å; M463-M487 HydrophobicContact SD-CE 4.35Å; M484-M487 HydrophobicContact CE-CG 4.29Å; M484-M487 HydrophobicContact CE-SD 4.17Å; E485-M487 PolarHBondContact O-N 2.8Å; E485-M487 VanDerWaalsContact O-N 3.11Å
488L95.6Very high91.3Very high1 Ų160.9 Ų60.91%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-118.8109.2169.517762.1000109.7L457 K458 L459 G460 L490 V493 Y568 L584 T588L457-L488 HydrophobicContact CD1-CB 3.89Å; K458-L488 PolarHBondContact O-N 2.98Å; L459-L488 WeakPolarHBondContact CA-O 3.49Å; L459-L488 HydrophobicContact CD2-CB 3.96Å; L459-L488 HydrophobicContact CD2-CD2 3.95Å; L459-L488 HydrophobicContact CD2-CG 4.28Å; G460-L488 PolarHBondContact N-O 3.5Å; L488-L490 HydrophobicContact CD2-CD2 4.23Å; L488-L490 HydrophobicContact CG-CD2 4.31Å; L488-L490 PolarHBondContact O-N 2.73Å; L488-V493 HydrophobicContact CD1-CG2 3.93Å; L488-V493 HydrophobicContact CG-CG2 4.46Å; L488-Y568 HydrophobicContact CD2-CD2 3.84Å; L488-Y568 HydrophobicContact CD2-CE2 3.66Å; L488-L584 HydrophobicContact CD2-CB 4.22Å; L488-T588 HydrophobicContact CD1-CG2 3.56Å
489D95.7Very high91.4Very high24 Ų2464.5 Ų64.513%0.12831%0.311CS..EExtended strand (participates in β ladder)trans-83106.7173.2-174.3-5.5000109.9G462 L491 K492G462-D489 PolarHBondContact N-OD1 3.14Å; D489-L491 PolarHBondContact O-N 3.46Å; D489-L491 VanDerWaalsContact O-N 3.15Å; D489-L491 WeakPolarHBondContact OD1-CB 3.37Å; D489-L491 PolarHBondContact OD1-N 3.47Å; D489-K492 HydrophobicContact CB-CG 4.45Å; D489-K492 WeakPolarHBondContact O-CB 3.45Å; D489-K492 PolarHBondContact O-N 3.24Å
490L97Very high90.8Very high0 Ų057 Ų570%028%0.281CS..Hα-helixtrans-64-15.8-179.5-67.2-177.5000112.7G460 Y461 L488 K492 V493 H494 L526 L564 V567G460-L490 PolarHBondContact O-N 2.93Å; Y461-L490 HydrophobicContact CD2-CB 4.07Å; L488-L490 HydrophobicContact CD2-CD2 4.23Å; L488-L490 HydrophobicContact CG-CD2 4.31Å; L488-L490 PolarHBondContact O-N 2.73Å; L490-K492 VanDerWaalsContact C-N 3.29Å; L490-K492 PolarHBondContact O-N 2.97Å; L490-V493 HydrophobicContact CD2-CG2 4.2Å; L490-V493 PolarHBondContact O-N 2.81Å; L490-H494 WeakPolarHBondContact O-CB 3.14Å; L490-H494 PolarHBondContact O-N 3.11Å; L490-L526 HydrophobicContact CB-CD2 4.09Å; L490-L564 HydrophobicContact CD1-CB 4.16Å; L490-L564 HydrophobicContact CD1-CD2 3.81Å; L490-V567 HydrophobicContact CD1-CG1 4.15Å
491L95.9Very high89.7Confident49 Ų4954.9 Ų54.926%0.25727%0.269SS..Hα-helixtrans-60.8-40169.917762000111.4Y461 D489 H494 Q495Y461-L491 HydrophobicContact CD2-CB 4.34Å; Y461-L491 HydrophobicContact CE1-CB 4.36Å; Y461-L491 HydrophobicContact CE1-CD1 3.9Å; Y461-L491 HydrophobicContact CE2-CB 4.21Å; Y461-L491 HydrophobicContact CE2-CD1 4.3Å; Y461-L491 HydrophobicContact CG-CB 4.48Å; Y461-L491 VanDerWaalsContact OH-CD1 3.32Å; Y461-L491 WeakPolarHBondContact OH-CD1 3.49Å; D489-L491 PolarHBondContact O-N 3.46Å; D489-L491 VanDerWaalsContact O-N 3.15Å; D489-L491 WeakPolarHBondContact OD1-CB 3.37Å; D489-L491 PolarHBondContact OD1-N 3.47Å; L491-H494 PolarHBondContact O-N 2.82Å; L491-Q495 VanDerWaalsContact O-CG 3.29Å; L491-Q495 WeakPolarHBondContact O-CG 3.42Å; L491-Q495 PolarHBondContact O-N 2.98Å
492K94.5Very high88.2Confident94 Ų9455.1 Ų55.141%0.40927%0.269SS..Hα-helixtrans-66.9-40.6177.7-63.7-179.1-178.61760111D489 L490 Q495 E496 I587D489-K492 HydrophobicContact CB-CG 4.45Å; D489-K492 WeakPolarHBondContact O-CB 3.45Å; D489-K492 PolarHBondContact O-N 3.24Å; L490-K492 VanDerWaalsContact C-N 3.29Å; L490-K492 PolarHBondContact O-N 2.97Å; K492-Q495 PolarHBondContact O-N 3.47Å; K492-E496 PolarHBondContact O-N 3.15Å; K492-E496 VanDerWaalsContact O-N 3.12Å; K492-I587 HydrophobicContact CB-CG2 4.32Å
493V94.3Very high86.1Confident0 Ų059.5 Ų59.50%029%0.293CS..Hα-helixtrans-62.7-45.4175-1740000110.4L488 L490 Q495 E496 I497 L571 L580 I587L488-V493 HydrophobicContact CD1-CG2 3.93Å; L488-V493 HydrophobicContact CG-CG2 4.46Å; L490-V493 HydrophobicContact CD2-CG2 4.2Å; L490-V493 PolarHBondContact O-N 2.81Å; V493-Q495 VanDerWaalsContact C-N 3.32Å; V493-Q495 PolarHBondContact O-N 3.48Å; V493-E496 PolarHBondContact O-N 2.81Å; V493-E496 VanDerWaalsContact O-N 3.11Å; V493-I497 HydrophobicContact CG1-CD1 4.49Å; V493-I497 WeakPolarHBondContact O-CG1 3.07Å; V493-I497 PolarHBondContact O-N 3.29Å; V493-L571 HydrophobicContact CG1-CD1 3.91Å; V493-L580 HydrophobicContact CG1-CD1 3.66Å; V493-L580 HydrophobicContact CG1-CD2 4.02Å; V493-I587 HydrophobicContact CB-CD1 4.48Å; V493-I587 HydrophobicContact CG1-CD1 4.2Å; V493-I587 HydrophobicContact CG2-CD1 4.05Å
494H94.3Very high84Confident3 Ų359.2 Ų59.21%0.01429%0.293CS..Hα-helixtrans-60.2-40.8176.9-172.5-169.4000112.2Y461 L490 L491 E496 I497 Q498 L526Y461-H494 HydrophobicContact CE2-CB 4.23Å; Y461-H494 AromaticContact CE2-ND1 3.84Å; Y461-H494 AromaticContact CZ-ND1 3.81Å; Y461-H494 PolarHBondContact OH-ND1 2.89Å; L490-H494 WeakPolarHBondContact O-CB 3.14Å; L490-H494 PolarHBondContact O-N 3.11Å; L491-H494 PolarHBondContact O-N 2.82Å; H494-E496 VanDerWaalsContact C-N 3.33Å; H494-E496 PolarHBondContact O-N 3.49Å; H494-I497 PolarHBondContact O-N 3.41Å; H494-Q498 PolarHBondContact CE1-NE2 2.96Å; H494-Q498 PolarHBondContact NE2-NE2 3.23Å; H494-Q498 WeakPolarHBondContact O-CG 3.48Å; H494-Q498 PolarHBondContact O-N 2.67Å; H494-L526 HydrophobicContact CB-CD1 4.03Å; H494-L526 HydrophobicContact CB-CD2 4.21Å
495Q93.3Very high81.7Confident95 Ų9562.1 Ų62.144%0.44431%0.314SS..Hα-helixtrans-61.3-39.9174.3-73.21710.900111.9L491 K492 V493 Q498 R499L491-Q495 VanDerWaalsContact O-CG 3.29Å; L491-Q495 WeakPolarHBondContact O-CG 3.42Å; L491-Q495 PolarHBondContact O-N 2.98Å; K492-Q495 PolarHBondContact O-N 3.47Å; V493-Q495 VanDerWaalsContact C-N 3.32Å; V493-Q495 PolarHBondContact O-N 3.48Å; Q495-Q498 PolarHBondContact O-N 3.48Å; Q495-R499 VanDerWaalsContact O-CG 3.23Å; Q495-R499 WeakPolarHBondContact O-CG 3.44Å; Q495-R499 PolarHBondContact O-N 3.48Å
496E90.6Very high79.3Confident84 Ų8466.1 Ų66.139%0.39333%0.333SS..Hα-helixtrans-66.3-42175.1-70.8-54.7130.500112.4K492 V493 H494 Q498 R499 G500 L580 I587K492-E496 PolarHBondContact O-N 3.15Å; K492-E496 VanDerWaalsContact O-N 3.12Å; V493-E496 PolarHBondContact O-N 2.81Å; V493-E496 VanDerWaalsContact O-N 3.11Å; H494-E496 VanDerWaalsContact C-N 3.33Å; H494-E496 PolarHBondContact O-N 3.49Å; E496-Q498 VanDerWaalsContact C-N 3.27Å; E496-Q498 PolarHBondContact O-N 2.65Å; E496-R499 PolarHBondContact O-N 3.03Å; E496-R499 VanDerWaalsContact O-N 3.14Å; E496-G500 PolarHBondContact O-N 3.46Å; E496-L580 HydrophobicContact CB-CD2 3.94Å; E496-I587 HydrophobicContact CG-CG2 3.98Å
497I89.5Confident76.6Confident1 Ų172.4 Ų72.41%0.00536%0.361CS..Hα-helixtrans-56.6-44.4173.3-62.9172.7000110.5V493 H494 R499 G500 K501 L526 L571 F578 L580V493-I497 HydrophobicContact CG1-CD1 4.49Å; V493-I497 WeakPolarHBondContact O-CG1 3.07Å; V493-I497 PolarHBondContact O-N 3.29Å; H494-I497 PolarHBondContact O-N 3.41Å; I497-R499 PolarHBondContact O-N 3.23Å; I497-G500 PolarHBondContact O-N 2.9Å; I497-K501 PolarHBondContact O-N 2.72Å; I497-L526 HydrophobicContact CD1-CD1 4.03Å; I497-L571 HydrophobicContact CD1-CD1 4.32Å; I497-L571 HydrophobicContact CD1-CD2 3.84Å; I497-F578 HydrophobicContact CD1-CB 4.5Å; I497-F578 HydrophobicContact CG1-CB 4.33Å; I497-L580 HydrophobicContact CD1-CD1 4.06Å; I497-L580 HydrophobicContact CG1-CD1 3.87Å; I497-L580 HydrophobicContact CG1-CD2 3.93Å; I497-L580 HydrophobicContact CG1-CG 4.06Å
498Q87.3Confident73.6Confident86 Ų8674.3 Ų74.340%0.40238%0.383SS..Hα-helixtrans-64.9-38.1179.2-71.5177.5-4.100112.2H494 Q495 E496 V502H494-Q498 PolarHBondContact CE1-NE2 2.96Å; H494-Q498 PolarHBondContact NE2-NE2 3.23Å; H494-Q498 WeakPolarHBondContact O-CG 3.48Å; H494-Q498 PolarHBondContact O-N 2.67Å; Q495-Q498 PolarHBondContact O-N 3.48Å; E496-Q498 VanDerWaalsContact C-N 3.27Å; E496-Q498 PolarHBondContact O-N 2.65Å; Q498-V502 WeakPolarHBondContact O-CG2 3.25Å
499R83.8Confident70.6Confident163 Ų16380.3 Ų80.362%0.61542%0.422SS*.Hα-helixtrans-69.1-40.1176-67.5168.189.2104.34.9112Q495 E496 I497 V502Q495-R499 VanDerWaalsContact O-CG 3.23Å; Q495-R499 WeakPolarHBondContact O-CG 3.44Å; Q495-R499 PolarHBondContact O-N 3.48Å; E496-R499 PolarHBondContact O-N 3.03Å; E496-R499 VanDerWaalsContact O-N 3.14Å; I497-R499 PolarHBondContact O-N 3.23Å; R499-V502 PolarHBondContact O-N 3.15Å
500G70.4Confident68Low20 Ų2089.7 Ų89.721%0.20646%0.456CS..Hα-helixtrans-62.3-41.417900000113.2E496 I497 V502 N503 Q504E496-G500 PolarHBondContact O-N 3.46Å; I497-G500 PolarHBondContact O-N 2.9Å; G500-V502 PolarHBondContact O-N 2.85Å; G500-N503 PolarHBondContact O-N 2.75Å; G500-Q504 PolarHBondContact O-N 2.79Å
501K63.1Low64.9Low84 Ų8498.7 Ų98.737%0.36550%0.498SS..Hα-helixtrans-63.4-37.6177.5-73.4-177.7179.7178.40113I497 N503 Q504 V505I497-K501 PolarHBondContact O-N 2.72Å; K501-N503 PolarHBondContact O-N 3.4Å; K501-Q504 PolarHBondContact O-N 2.85Å; K501-V505 VanDerWaalsContact O-CG2 3.29Å; K501-V505 WeakPolarHBondContact O-CG2 3.37Å; K501-V505 PolarHBondContact O-N 3.41Å
502V56Low61.9Low106 Ų106102.2 Ų102.264%0.64252%0.521SS*.Hα-helixtrans-62-29.6176.9175.60000112Q498 R499 G500Q498-V502 WeakPolarHBondContact O-CG2 3.25Å; R499-V502 PolarHBondContact O-N 3.15Å; G500-V502 PolarHBondContact O-N 2.85Å
503N44.9Very low59.3Low124 Ų124106.5 Ų106.566%0.66355%0.547SS*.Hα-helixtrans-84.6-26.9178.8-66.1-27.9000113.3G500 K501G500-N503 PolarHBondContact O-N 2.75Å; K501-N503 PolarHBondContact O-N 3.4Å
504Q46Very low56.6Low119 Ų119111 Ų11156%0.55658%0.575SS**Hα-helixtrans-79.2-23.1178-80.8178.9-9.500114.1G500 K501 Q506 N507G500-Q504 PolarHBondContact O-N 2.79Å; K501-Q504 PolarHBondContact O-N 2.85Å; Q504-Q506 PolarHBondContact O-N 3.16Å; Q504-N507 PolarHBondContact O-N 3.29Å; Q504-N507 VanDerWaalsContact O-N 3.13Å
505V44.2Very low53.7Low126 Ų126113.7 Ų113.776%0.76460%0.603SS**THydrogen-bonded Turntrans-61.6-8.9179.3172.20000113.2K501K501-V505 VanDerWaalsContact O-CG2 3.29Å; K501-V505 WeakPolarHBondContact O-CG2 3.37Å; K501-V505 PolarHBondContact O-N 3.41Å
506Q42.7Very low51Low146 Ų146117.2 Ų117.268%0.68262%0.62SS**THydrogen-bonded Turntrans-84.8-17.8175-66.6-169.6-6.900115.1Q504Q504-Q506 PolarHBondContact O-N 3.16Å
507N35.2Very low48.5Very low156 Ų156120.7 Ų120.783%0.83464%0.641SS**SBendtrans-15645.6-169.5-77.5-45.6000116.9Q504Q504-N507 PolarHBondContact O-N 3.29Å; Q504-N507 VanDerWaalsContact O-N 3.13Å
508A30.8Very low46.5Very low80 Ų80123.4 Ų123.466%0.66166%0.66SS**  trans-158.8152.2166.100000115
509P33.1Very low45.5Very low127 Ų127124.1 Ų124.183%0.82567%0.674SS**  trans-69.5139.4174.6-9.525.8000111.9E511P509-E511 PolarHBondContact O-N 3.26Å
510R41Very low45.4Very low220 Ų220118 Ų11883%0.8365%0.652SS**  trans-71.2104.7-177.4-72.1174.9171.7-171.5-7.4112
511E31.8Very low46.3Very low190 Ų190124.9 Ų124.989%0.88868%0.677SS**  trans-131.963.5157.7-79.2-167.5167.100111.2P509P509-E511 PolarHBondContact O-N 3.26Å
512V32.8Very low47.8Very low123 Ų123122.4 Ų122.475%0.74568%0.675SS**SBendtrans-145.9115.6142.2-178.30000105.8V514V512-V514 PolarHBondContact O-N 3.07Å
513L39.5Very low49.6Very low183 Ų183118.3 Ų118.396%0.95865%0.65SS**  trans-5893.7175-70.9160.4000109.8
514V38.6Very low52.1Low95 Ų95112.5 Ų112.558%0.57662%0.619SS**  trans-105.699.5158.9-175.80000105.3V512 E516V512-V514 PolarHBondContact O-N 3.07Å; V514-E516 PolarHBondContact O-N 3.34Å
515G33.4Very low54.4Low59 Ų59107.9 Ų107.961%0.60860%0.598SS**  trans-57.7132.4165.700000108.9D517G515-D517 PolarHBondContact O-N 2.81Å
516E36.5Very low56.8Low170 Ų170101.9 Ų101.979%0.79456%0.562SS**THydrogen-bonded Turntrans-65.922-178.5-87.1171.6159.900114.5V514V514-E516 PolarHBondContact O-N 3.34Å
517D38.8Very low59.4Low157 Ų15795 Ų9584%0.8453%0.529SS*.THydrogen-bonded Turntrans-136.428.8-172.2-71.9-43.6000114.6G515 S519G515-D517 PolarHBondContact O-N 2.81Å; D517-S519 PolarHBondContact O-N 3.09Å; D517-S519 VanDerWaalsContact O-N 3.15Å
518S47.1Very low62.3Low58 Ų5890.5 Ų90.541%0.40650%0.503SS..  trans-74.6111.6179.783.10000111.7E520S518-E520 PolarHBondContact O-N 3.11Å; S518-E520 VanDerWaalsContact O-N 3.12Å
519S65.8Low65.2Low100 Ų10089.5 Ų89.570%0.69949%0.485SS*.  trans-64.1-8.6170.953.50000114.1D517D517-S519 PolarHBondContact O-N 3.09Å; D517-S519 VanDerWaalsContact O-N 3.15Å
520E82.8Confident68.2Low34 Ų3484.5 Ų84.516%0.15945%0.452CS..  trans-77.4143.5-173.8-62-55134.300113.1S518 S524 L525 P534 K537S518-E520 PolarHBondContact O-N 3.11Å; S518-E520 VanDerWaalsContact O-N 3.12Å; E520-S524 WeakPolarHBondContact OE2-CB 3.37Å; E520-S524 PolarHBondContact OE2-OG 3.25Å; E520-L525 HydrophobicContact CB-CB 4.16Å; E520-L525 HydrophobicContact CB-CD1 4.17Å; E520-P534 HydrophobicContact CG-CB 3.86Å; E520-K537 WeakPolarHBondContact OE2-CE 3.32Å; E520-K537 IonicContact OE2-NZ 3.3Å; E520-K537 PolarHBondContact OE2-NZ 3.11Å
521K88.7Confident70.7Confident165 Ų16576.8 Ų76.872%0.71743%0.427SS*.  trans-143.6161.4179.8-61.6-177.9-176177.50109.4K537K521-K537 PolarHBondContact O-NZ 3.21Å
522G93.2Very high73.7Confident32 Ų3270.4 Ų70.433%0.3341%0.412SS..THydrogen-bonded Turntrans68.1-146.7174.800000112.7Y461 S524 L525 L526Y461-G522 VanDerWaalsContact CZ-C 3.45Å; Y461-G522 WeakPolarHBondContact OH-CA 3.43Å; Y461-G522 PolarHBondContact OH-O 3.4Å; G522-S524 VanDerWaalsContact C-N 3.31Å; G522-S524 PolarHBondContact O-N 3.2Å; G522-L525 WeakPolarHBondContact O-CB 3.32Å; G522-L525 PolarHBondContact O-N 3.25Å; G522-L525 VanDerWaalsContact O-N 3.12Å; G522-L526 PolarHBondContact O-N 3.04Å
523L95.6Very high76.6Confident20 Ų2068.4 Ų68.411%0.10539%0.393CS..Hα-helixtrans-56.6-42.9-179.8-179.958.7000112Y461 L525 L526 V527 L535 L564Y461-L523 HydrophobicContact CD1-CB 3.8Å; Y461-L523 HydrophobicContact CD2-CB 4.11Å; Y461-L523 HydrophobicContact CD2-CD1 3.68Å; Y461-L523 HydrophobicContact CD2-CG 4.46Å; Y461-L523 HydrophobicContact CE1-CB 4.1Å; Y461-L523 VanDerWaalsContact CE1-N 3.29Å; Y461-L523 HydrophobicContact CE2-CB 4.37Å; Y461-L523 HydrophobicContact CE2-CD1 4.33Å; Y461-L523 HydrophobicContact CG-CB 3.83Å; Y461-L523 HydrophobicContact CG-CD1 3.91Å; Y461-L523 HydrophobicContact CG-CG 4.32Å; Y461-L523 VanDerWaalsContact CZ-N 3.35Å; L523-L525 VanDerWaalsContact C-N 3.25Å; L523-L525 PolarHBondContact O-N 2.94Å; L523-L526 HydrophobicContact CD1-CD2 4.39Å; L523-L526 WeakPolarHBondContact O-CA 3.33Å; L523-L526 WeakPolarHBondContact O-CB 3.46Å; L523-L526 PolarHBondContact O-N 3.42Å; L523-V527 HydrophobicContact CD1-CG2 4.07Å; L523-V527 HydrophobicContact CG-CG2 4.19Å; L523-V527 WeakPolarHBondContact O-CG2 3.35Å; L523-V527 PolarHBondContact O-N 3.44Å; L523-L535 HydrophobicContact CB-CD1 4.34Å; L523-L535 HydrophobicContact CD2-CD1 3.87Å; L523-L535 HydrophobicContact CG-CD1 3.71Å; L523-L564 HydrophobicContact CD1-CD2 3.79Å; L523-L564 HydrophobicContact CD2-CD2 4.11Å
524S95.6Very high79.3Confident3 Ų360.4 Ų60.42%0.02135%0.352CS..Hα-helixtrans-55-39.3176.8-177.60000113.2E520 G522 Q528 P534 L535E520-S524 WeakPolarHBondContact OE2-CB 3.37Å; E520-S524 PolarHBondContact OE2-OG 3.25Å; G522-S524 VanDerWaalsContact C-N 3.31Å; G522-S524 PolarHBondContact O-N 3.2Å; S524-Q528 WeakPolarHBondContact O-CB 3.32Å; S524-Q528 PolarHBondContact O-N 2.84Å; S524-P534 VanDerWaalsContact OG-CB 3.29Å; S524-P534 WeakPolarHBondContact OG-CB 3.48Å; S524-L535 PolarHBondContact OG-N 3.47Å
525L95.2Very high82Confident22 Ų2256.2 Ų56.212%0.11533%0.327CS..Hα-helixtrans-68.4-40.3175.9179.364.5000111.4E520 G522 L523 Q528 Q529E520-L525 HydrophobicContact CB-CB 4.16Å; E520-L525 HydrophobicContact CB-CD1 4.17Å; G522-L525 WeakPolarHBondContact O-CB 3.32Å; G522-L525 PolarHBondContact O-N 3.25Å; G522-L525 VanDerWaalsContact O-N 3.12Å; L523-L525 VanDerWaalsContact C-N 3.25Å; L523-L525 PolarHBondContact O-N 2.94Å; L525-Q528 PolarHBondContact O-N 3.12Å; L525-Q529 HydrophobicContact CD1-CG 4.2Å; L525-Q529 HydrophobicContact CG-CG 4.39Å; L525-Q529 WeakPolarHBondContact O-CB 3.46Å; L525-Q529 VanDerWaalsContact O-CG 3.23Å; L525-Q529 WeakPolarHBondContact O-CG 3.36Å; L525-Q529 PolarHBondContact O-N 3.26Å
526L95.8Very high84.7Confident0 Ų055.1 Ų55.10%031%0.307CS..Hα-helixtrans-61.5-48.3175.5177.962.7000110.8Y461 L490 H494 I497 G522 L523 Q528 Q529 V530 V567Y461-L526 HydrophobicContact CD2-CD2 4.05Å; Y461-L526 HydrophobicContact CE2-CB 4.34Å; Y461-L526 HydrophobicContact CE2-CD2 3.87Å; L490-L526 HydrophobicContact CB-CD2 4.09Å; H494-L526 HydrophobicContact CB-CD1 4.03Å; H494-L526 HydrophobicContact CB-CD2 4.21Å; I497-L526 HydrophobicContact CD1-CD1 4.03Å; G522-L526 PolarHBondContact O-N 3.04Å; L523-L526 HydrophobicContact CD1-CD2 4.39Å; L523-L526 WeakPolarHBondContact O-CA 3.33Å; L523-L526 WeakPolarHBondContact O-CB 3.46Å; L523-L526 PolarHBondContact O-N 3.42Å; L526-Q528 VanDerWaalsContact C-N 3.31Å; L526-Q528 PolarHBondContact O-N 3.44Å; L526-Q529 PolarHBondContact O-N 3.13Å; L526-Q529 VanDerWaalsContact O-N 3.16Å; L526-V530 HydrophobicContact CD1-CG2 3.78Å; L526-V530 HydrophobicContact CG-CG2 4.44Å; L526-V530 WeakPolarHBondContact O-CB 3.34Å; L526-V530 WeakPolarHBondContact O-CG2 3.34Å; L526-V530 PolarHBondContact O-N 2.73Å; L526-V567 HydrophobicContact CD1-CG1 4.42Å; L526-V567 HydrophobicContact CD2-CG1 3.86Å; L526-V567 HydrophobicContact CG-CG1 3.98Å
527V96.8Very high87.3Confident0 Ų050.5 Ų50.50%028%0.284CS..Hα-helixtrans-58.9-43.7177.1178.10000110.2Y366 L523 Q529 V530 L531 G532 K533 L535 C563 V567Y366-V527 HydrophobicContact CD2-CG1 4.19Å; Y366-V527 HydrophobicContact CG-CG1 3.92Å; L523-V527 HydrophobicContact CD1-CG2 4.07Å; L523-V527 HydrophobicContact CG-CG2 4.19Å; L523-V527 WeakPolarHBondContact O-CG2 3.35Å; L523-V527 PolarHBondContact O-N 3.44Å; V527-Q529 PolarHBondContact O-N 2.66Å; V527-V530 PolarHBondContact O-N 2.96Å; V527-L531 HydrophobicContact CG1-CB 4.42Å; V527-L531 HydrophobicContact CG1-CD1 4.1Å; V527-L531 WeakPolarHBondContact O-CA 3.32Å; V527-L531 WeakPolarHBondContact O-CB 3.44Å; V527-L531 PolarHBondContact O-N 2.8Å; V527-G532 PolarHBondContact O-N 3.37Å; V527-K533 CarbonylContact C-O 3.5Å; V527-K533 VanDerWaalsContact CG1-O 3.32Å; V527-K533 WeakPolarHBondContact CG1-O 3.44Å; V527-L535 HydrophobicContact CB-CG 4.23Å; V527-L535 HydrophobicContact CG1-CD2 4.32Å; V527-L535 HydrophobicContact CG1-CG 4.25Å; V527-L535 HydrophobicContact CG2-CD1 3.96Å; V527-L535 HydrophobicContact CG2-CD2 4.41Å; V527-L535 HydrophobicContact CG2-CG 4Å; V527-C563 HydrophobicContact CG2-CB 4Å; V527-V567 HydrophobicContact CG2-CG2 4.02Å
528Q95.2Very high89.6Confident62 Ų6245.8 Ų45.829%0.2926%0.262SS..Hα-helixtrans-62.6-43.3175.4-172.6-179.314.900112.6S524 L525 L526 V530 G532 K533 P534S524-Q528 WeakPolarHBondContact O-CB 3.32Å; S524-Q528 PolarHBondContact O-N 2.84Å; L525-Q528 PolarHBondContact O-N 3.12Å; L526-Q528 VanDerWaalsContact C-N 3.31Å; L526-Q528 PolarHBondContact O-N 3.44Å; Q528-V530 VanDerWaalsContact C-N 3.32Å; Q528-V530 PolarHBondContact O-N 3.44Å; Q528-G532 CarbonylContact O-C 3.58Å; Q528-G532 WeakPolarHBondContact O-CA 3.39Å; Q528-G532 PolarHBondContact O-N 2.75Å; Q528-K533 WeakPolarHBondContact CA-O 3.38Å; Q528-K533 PolarHBondContact N-O 2.97Å; Q528-P534 HydrophobicContact CB-CB 4.29Å
529Q92.9Very high91.7Very high59 Ų5943.6 Ų43.628%0.27625%0.245SC..Hα-helixtrans-69.4-29.6-178.3-75.2-179.70.200113.3L525 L526 V527L525-Q529 HydrophobicContact CD1-CG 4.2Å; L525-Q529 HydrophobicContact CG-CG 4.39Å; L525-Q529 WeakPolarHBondContact O-CB 3.46Å; L525-Q529 VanDerWaalsContact O-CG 3.23Å; L525-Q529 WeakPolarHBondContact O-CG 3.36Å; L525-Q529 PolarHBondContact O-N 3.26Å; L526-Q529 PolarHBondContact O-N 3.13Å; L526-Q529 VanDerWaalsContact O-N 3.16Å; V527-Q529 PolarHBondContact O-N 2.66Å
530V94.5Very high92.8Very high23 Ų2343.6 Ų43.614%0.13923%0.234CC..Hα-helixtrans-99.8-41.6-174.8178.70000111.8L526 V527 Q528 V567 A570 L571 F578L526-V530 HydrophobicContact CD1-CG2 3.78Å; L526-V530 HydrophobicContact CG-CG2 4.44Å; L526-V530 WeakPolarHBondContact O-CB 3.34Å; L526-V530 WeakPolarHBondContact O-CG2 3.34Å; L526-V530 PolarHBondContact O-N 2.73Å; V527-V530 PolarHBondContact O-N 2.96Å; Q528-V530 VanDerWaalsContact C-N 3.32Å; Q528-V530 PolarHBondContact O-N 3.44Å; V530-V567 HydrophobicContact CB-CG2 4.47Å; V530-V567 HydrophobicContact CG1-CG1 4.4Å; V530-V567 HydrophobicContact CG2-CG1 4.44Å; V530-A570 HydrophobicContact CG1-CB 3.56Å; V530-L571 HydrophobicContact CG1-CD2 4.19Å; V530-L571 HydrophobicContact CG1-CG 4.19Å; V530-L571 HydrophobicContact CG2-CD2 3.77Å; V530-L571 HydrophobicContact CG2-CG 4.25Å; V530-F578 HydrophobicContact CG1-CZ 4.44Å; V530-F578 HydrophobicContact CG2-CE1 4.28Å
531L94.8Very high93Very high57 Ų5745.5 Ų45.530%0.29824%0.244SC..Hα-helixtrans-109.7-2-174.1-51.4-177.3000113.3Y366 V527 K533 D566 V567 A570Y366-L531 HydrophobicContact CD2-CD1 3.88Å; Y366-L531 HydrophobicContact CE2-CD1 3.61Å; V527-L531 HydrophobicContact CG1-CB 4.42Å; V527-L531 HydrophobicContact CG1-CD1 4.1Å; V527-L531 WeakPolarHBondContact O-CA 3.32Å; V527-L531 WeakPolarHBondContact O-CB 3.44Å; V527-L531 PolarHBondContact O-N 2.8Å; L531-K533 PolarHBondContact O-N 3.14Å; L531-D566 HydrophobicContact CD1-CB 3.64Å; L531-D566 HydrophobicContact CD2-CB 4.33Å; L531-V567 HydrophobicContact CD1-CG2 3.94Å; L531-V567 HydrophobicContact CG-CG2 4.14Å; L531-A570 HydrophobicContact CD2-CB 3.98Å
532G93.4Very high93Very high56 Ų5637.7 Ų37.758%0.57721%0.209SC*.SBendtrans86.6-11171.700000116V527 Q528V527-G532 PolarHBondContact O-N 3.37Å; Q528-G532 CarbonylContact O-C 3.58Å; Q528-G532 WeakPolarHBondContact O-CA 3.39Å; Q528-G532 PolarHBondContact O-N 2.75Å
533K94Very high92.8Very high81 Ų8137.1 Ų37.135%0.35220%0.199SC..SBendtrans-132.3143.1177.9-65.5-177.8-177.6173.70111.9C362 Q363 F365 V527 Q528 L531C362-K533 PolarHBondContact O-NZ 3.47Å; Q363-K533 WeakPolarHBondContact O-CE 3.23Å; F365-K533 WeakPolarHBondContact O-CD 3.13Å; V527-K533 CarbonylContact C-O 3.5Å; V527-K533 VanDerWaalsContact CG1-O 3.32Å; V527-K533 WeakPolarHBondContact CG1-O 3.44Å; Q528-K533 WeakPolarHBondContact CA-O 3.38Å; Q528-K533 PolarHBondContact N-O 2.97Å; L531-K533 PolarHBondContact O-N 3.14Å
534P96.1Very high92.7Very high15 Ų1536.2 Ų36.210%0.09719%0.194CC..PPolyproline II helixtrans-73.6166.1175.131.8-36.3000112.8K364 F365 Y366 E520 S524 Q528K364-P534 WeakPolarHBondContact O-CD 3.39Å; F365-P534 CarbonylContact C-O 3.56Å; F365-P534 WeakPolarHBondContact CA-O 3.37Å; F365-P534 HydrophobicContact CD1-CG 4.03Å; F365-P534 HydrophobicContact CE1-CG 4.35Å; Y366-P534 PolarHBondContact N-O 3.37Å; E520-P534 HydrophobicContact CG-CB 3.86Å; S524-P534 VanDerWaalsContact OG-CB 3.29Å; S524-P534 WeakPolarHBondContact OG-CB 3.48Å; Q528-P534 HydrophobicContact CB-CB 4.29Å
535L95.1Very high92.5Very high7 Ų740.4 Ų40.44%0.03721%0.214CC..PPolyproline II helixtrans-78.4146.2168.5-68.4169.2000110.2Y366 L523 S524 V527 C563Y366-L535 HydrophobicContact CD1-CD2 3.75Å; Y366-L535 HydrophobicContact CG-CD2 4.4Å; L523-L535 HydrophobicContact CB-CD1 4.34Å; L523-L535 HydrophobicContact CD2-CD1 3.87Å; L523-L535 HydrophobicContact CG-CD1 3.71Å; S524-L535 PolarHBondContact OG-N 3.47Å; V527-L535 HydrophobicContact CB-CG 4.23Å; V527-L535 HydrophobicContact CG1-CD2 4.32Å; V527-L535 HydrophobicContact CG1-CG 4.25Å; V527-L535 HydrophobicContact CG2-CD1 3.96Å; V527-L535 HydrophobicContact CG2-CD2 4.41Å; V527-L535 HydrophobicContact CG2-CG 4Å; L535-C563 HydrophobicContact CD2-CB 4.24Å
536D91.7Very high92.2Very high37 Ų3743.3 Ų43.320%0.19823%0.225CC..PPolyproline II helixtrans-76.1123.8169.7-179.68.5000109.3H361 F365 T538 Y556H361-D536 IonicContact CD2-OD2 3.1Å; H361-D536 IonicContact CE1-OD2 2.75Å; H361-D536 PolarHBondContact CE1-OD2 3.47Å; H361-D536 IonicContact NE2-OD2 2.81Å; H361-D536 PolarHBondContact NE2-OD2 3.16Å; F365-D536 HydrophobicContact CB-CB 4.19Å; F365-D536 HydrophobicContact CD1-CB 3.98Å; F365-D536 HydrophobicContact CD2-CB 4.06Å; F365-D536 HydrophobicContact CE1-CB 4.34Å; F365-D536 HydrophobicContact CE2-CB 4.39Å; F365-D536 HydrophobicContact CG-CB 3.82Å; D536-T538 VanDerWaalsContact OD1-CB 3.32Å; D536-T538 WeakPolarHBondContact OD1-CB 3.41Å; D536-T538 PolarHBondContact OD1-N 3.41Å; D536-T538 PolarHBondContact OD1-OG1 2.95Å; D536-T538 PolarHBondContact OD2-OG1 2.89Å; D536-Y556 WeakPolarHBondContact O-CD2 3.18Å; D536-Y556 WeakPolarHBondContact O-CE2 3.48Å
537K90.4Very high91.9Very high72 Ų7246.9 Ų46.931%0.31324%0.239SC..  trans-96.76.7-177-69173.8175.9161.10113.9E520 K521 E539 Q540E520-K537 WeakPolarHBondContact OE2-CE 3.32Å; E520-K537 IonicContact OE2-NZ 3.3Å; E520-K537 PolarHBondContact OE2-NZ 3.11Å; K521-K537 PolarHBondContact O-NZ 3.21Å; K537-E539 VanDerWaalsContact C-N 3.3Å; K537-E539 PolarHBondContact O-N 3.14Å; K537-Q540 WeakPolarHBondContact O-CB 3.32Å; K537-Q540 PolarHBondContact O-N 3.11Å
538T87.8Confident91.6Very high59 Ų5952.4 Ų52.436%0.36228%0.275SS..THydrogen-bonded Turntrans-58.5-40.3-172-60.10000112.6T276 N279 D536T276-T538 HydrophobicContact CG2-CG2 3.65Å; N279-T538 PolarHBondContact ND2-O 3.1Å; D536-T538 VanDerWaalsContact OD1-CB 3.32Å; D536-T538 WeakPolarHBondContact OD1-CB 3.41Å; D536-T538 PolarHBondContact OD1-N 3.41Å; D536-T538 PolarHBondContact OD1-OG1 2.95Å; D536-T538 PolarHBondContact OD2-OG1 2.89Å
539E90.9Very high91.5Very high11 Ų1150.2 Ų50.25%0.05127%0.265CS..THydrogen-bonded Turntrans-95.3-1.3-176.9-59.9-65.6162.800114N279 K537 M541 S542 W544 R550 S552 Q553 Y556N279-E539 PolarHBondContact OD1-OE2 2.99Å; K537-E539 VanDerWaalsContact C-N 3.3Å; K537-E539 PolarHBondContact O-N 3.14Å; E539-M541 PolarHBondContact O-N 3.45Å; E539-M541 VanDerWaalsContact O-N 3.16Å; E539-S542 WeakPolarHBondContact O-CB 3.35Å; E539-S542 PolarHBondContact O-N 3.36Å; E539-S542 PolarHBondContact O-OG 3.03Å; E539-S542 WeakPolarHBondContact OE2-CB 3.32Å; E539-W544 HydrophobicContact CB-CZ2 4.38Å; E539-W544 WeakPolarHBondContact O-CZ2 3.31Å; E539-W544 PolarHBondContact O-NE1 3.37Å; E539-R550 IonicContact OE1-NE 2.98Å; E539-R550 IonicContact OE1-NH2 3.57Å; E539-R550 IonicContact OE2-CZ 3.64Å; E539-R550 IonicContact OE2-NH2 3.67Å; E539-R550 PolarHBondContact OE2-NH2 3.01Å; E539-S552 VanDerWaalsContact CD-OG 3.25Å; E539-S552 VanDerWaalsContact OE1-CB 3.25Å; E539-S552 WeakPolarHBondContact OE1-CB 3.38Å; E539-S552 PolarHBondContact OE1-OG 2.72Å; E539-Q553 HydrophobicContact CB-CG 4.48Å; E539-Q553 HydrophobicContact CG-CG 4.27Å; E539-Q553 VanDerWaalsContact OE2-CG 3.25Å; E539-Q553 WeakPolarHBondContact OE2-CG 3.34Å; E539-Y556 HydrophobicContact CB-CD1 4.31Å; E539-Y556 HydrophobicContact CB-CD2 3.81Å; E539-Y556 HydrophobicContact CB-CG 3.69Å
540Q88.7Confident91.3Very high100 Ų10049 Ų4947%0.46726%0.258SS..THydrogen-bonded Turntrans-54.8-38.4-177.7177.6172.960.900112.8K537 Y556K537-Q540 WeakPolarHBondContact O-CB 3.32Å; K537-Q540 PolarHBondContact O-N 3.11Å; Q540-Y556 HydrophobicContact CB-CE2 4.18Å; Q540-Y556 WeakPolarHBondContact CB-OH 3.42Å
541M86.8Confident91.2Very high75 Ų7549.3 Ų49.337%0.36926%0.259SS..THydrogen-bonded Turntrans-105.624.9177.8-59.6-164-47.700111.6M275 H283 P406 F408 E539M275-M541 HydrophobicContact CE-CE 3.85Å; H283-M541 PolarHBondContact CE1-O 3.13Å; H283-M541 PolarHBondContact NE2-O 3.08Å; P406-M541 HydrophobicContact CG-CB 4.32Å; F408-M541 HydrophobicContact CZ-CE 4.2Å; F408-M541 HydrophobicContact CZ-SD 4.4Å; E539-M541 PolarHBondContact O-N 3.45Å; E539-M541 VanDerWaalsContact O-N 3.16Å
542S88.9Confident91Very high0 Ų047.4 Ų47.40%025%0.25CC..SBendtrans-72.6175.2-17872.30000113.2N279 P406 E539 W544 Q553N279-S542 WeakPolarHBondContact OD1-CB 3.37Å; P406-S542 WeakPolarHBondContact CD-O 3.42Å; E539-S542 WeakPolarHBondContact O-CB 3.35Å; E539-S542 PolarHBondContact O-N 3.36Å; E539-S542 PolarHBondContact O-OG 3.03Å; E539-S542 WeakPolarHBondContact OE2-CB 3.32Å; S542-W544 PolarHBondContact O-N 3.3Å; S542-W544 VanDerWaalsContact OG-CE2 3.29Å; S542-Q553 PolarHBondContact OG-NE2 2.72Å
543N89.1Confident91.1Very high21 Ų2144.8 Ų44.811%0.11222%0.222CC..  trans-82.894.2172-176.7-24.4000110.4D282 Q405 E545 K546 Q553D282-N543 HydrophobicContact CB-CB 3.72Å; Q405-N543 PolarHBondContact OE1-OD1 3.28Å; N543-E545 VanDerWaalsContact C-N 3.31Å; N543-E545 PolarHBondContact O-N 3.37Å; N543-E545 PolarHBondContact OD1-N 2.91Å; N543-E545 VanDerWaalsContact OD1-N 3.15Å; N543-K546 HydrophobicContact CB-CB 4.28Å; N543-K546 PolarHBondContact O-N 3.12Å; N543-K546 PolarHBondContact OD1-N 3.4Å; N543-Q553 PolarHBondContact O-NE2 3.24Å
544W93.3Very high91.2Very high0 Ų042.3 Ų42.30%021%0.213CC..THydrogen-bonded Turntrans-78.3-9.7-177.2-69.4114.2000114.6E403 A417 L418 E539 S542 R547 L549 Q553 Y556 A557E403-W544 HydrophobicContact CB-CB 4.32Å; E403-W544 HydrophobicContact CB-CD2 3.61Å; E403-W544 HydrophobicContact CB-CE3 4.03Å; E403-W544 HydrophobicContact CB-CG 3.75Å; E403-W544 HydrophobicContact CB-CZ2 4.34Å; E403-W544 VanDerWaalsContact CD-CE2 3.41Å; E403-W544 VanDerWaalsContact CD-CZ2 3.46Å; E403-W544 HydrophobicContact CG-CD2 3.91Å; E403-W544 HydrophobicContact CG-CE3 4.21Å; E403-W544 HydrophobicContact CG-CG 4.46Å; E403-W544 HydrophobicContact CG-CH2 4.02Å; E403-W544 HydrophobicContact CG-CZ2 3.68Å; E403-W544 HydrophobicContact CG-CZ3 4.27Å; E403-W544 PolarHBondContact OE2-NE1 3.23Å; A417-W544 HydrophobicContact CB-CB 4.05Å; A417-W544 WeakPolarHBondContact CB-O 3.32Å; L418-W544 HydrophobicContact CD2-CE3 4.37Å; L418-W544 HydrophobicContact CD2-CZ3 4.14Å; E539-W544 HydrophobicContact CB-CZ2 4.38Å; E539-W544 WeakPolarHBondContact O-CZ2 3.31Å; E539-W544 PolarHBondContact O-NE1 3.37Å; S542-W544 PolarHBondContact O-N 3.3Å; S542-W544 VanDerWaalsContact OG-CE2 3.29Å; W544-R547 PolarHBondContact O-NH1 3.15Å; W544-R547 PolarHBondContact O-NH2 3.09Å; W544-L549 HydrophobicContact CE3-CD2 4.18Å; W544-Q553 HydrophobicContact CE3-CB 4.46Å; W544-Q553 HydrophobicContact CH2-CB 4.07Å; W544-Q553 WeakPolarHBondContact CH2-O 3.28Å; W544-Q553 HydrophobicContact CZ3-CB 3.75Å; W544-Q553 HydrophobicContact CZ3-CG 4.35Å; W544-Y556 AromaticContact CH2-CD1 3.7Å; W544-Y556 HydrophobicContact CH2-CD1 3.7Å; W544-Y556 HydrophobicContact CH2-CE1 4.45Å; W544-Y556 HydrophobicContact CH2-CG 4.45Å; W544-Y556 AromaticContact CZ2-CD1 3.64Å; W544-Y556 HydrophobicContact CZ2-CD1 3.64Å; W544-Y556 AromaticContact CZ2-CE1 3.99Å; W544-Y556 HydrophobicContact CZ2-CE1 3.99Å; W544-Y556 HydrophobicContact CZ2-CG 4.5Å; W544-A557 HydrophobicContact CH2-CB 4.07Å; W544-A557 HydrophobicContact CZ3-CB 4.16Å
545E91.5Very high91.1Very high92 Ų9243.7 Ų43.743%0.4322%0.216SC..THydrogen-bonded Turntrans-89.7-16173.7-76.5178.4-179.200112.9Q405 A417 N543Q405-E545 HydrophobicContact CB-CG 3.89Å; A417-E545 HydrophobicContact CB-CG 4.12Å; N543-E545 VanDerWaalsContact C-N 3.31Å; N543-E545 PolarHBondContact O-N 3.37Å; N543-E545 PolarHBondContact OD1-N 2.91Å; N543-E545 VanDerWaalsContact OD1-N 3.15Å
546K87.9Confident91.2Very high83 Ų8344.2 Ų44.236%0.36122%0.218SC..SBendtrans-65.5135.3178.4-173.6176.6177.3-177.20111D282 N543 L549D282-K546 IonicContact OD1-NZ 3.32Å; D282-K546 PolarHBondContact OD1-NZ 3.3Å; D282-K546 IonicContact OD2-NZ 3.92Å; D282-K546 PolarHBondContact OD2-NZ 3.4Å; N543-K546 HydrophobicContact CB-CB 4.28Å; N543-K546 PolarHBondContact O-N 3.12Å; N543-K546 PolarHBondContact OD1-N 3.4Å; K546-L549 WeakPolarHBondContact O-CD2 3.28Å
547R90.1Very high91.4Very high74 Ų7442.5 Ų42.528%0.27921%0.208SC..SBendtrans-127.4142.3175-66.2-66.3176.7-821111.8A417 D431 C433 W544 L549A417-R547 PolarHBondContact O-NH2 2.91Å; D431-R547 IonicContact OD1-CZ 2.7Å; D431-R547 IonicContact OD1-NE 3.5Å; D431-R547 PolarHBondContact OD1-NE 2.83Å; D431-R547 IonicContact OD1-NH2 3.44Å; D431-R547 PolarHBondContact OD1-NH2 3.23Å; D431-R547 WeakPolarHBondContact OD2-CD 3.45Å; D431-R547 IonicContact OD2-CZ 3.35Å; D431-R547 IonicContact OD2-NE 3.91Å; D431-R547 PolarHBondContact OD2-NE 2.98Å; D431-R547 IonicContact OD2-NH2 2.64Å; C433-R547 HydrophobicContact CB-CG 4.34Å; C433-R547 PolarHBondContact SG-NH2 2.62Å; C433-R547 VanDerWaalsContact SG-NH2 3.45Å; W544-R547 PolarHBondContact O-NH1 3.15Å; W544-R547 PolarHBondContact O-NH2 3.09Å; R547-L549 VanDerWaalsContact NH1-CD2 3.32Å
548P91.1Very high91.8Very high117 Ų11739.1 Ų39.176%0.7619%0.194SC*.SBendcis-66.6156-8.930.8-35.5000111.9
549L91.6Very high92.3Very high16 Ų1637 Ų378%0.08418%0.183CC..PPolyproline II helixtrans-67.7146.6171.4-69.5178.7000110.2F377 L418 W544 K546 R547 Q553 I554F377-L549 HydrophobicContact CE2-CD1 4.01Å; F377-L549 HydrophobicContact CZ-CD1 3.76Å; F377-L549 HydrophobicContact CZ-CG 4.37Å; L418-L549 HydrophobicContact CD1-CD1 4.44Å; L418-L549 HydrophobicContact CD2-CD1 3.93Å; W544-L549 HydrophobicContact CE3-CD2 4.18Å; K546-L549 WeakPolarHBondContact O-CD2 3.28Å; R547-L549 VanDerWaalsContact NH1-CD2 3.32Å; L549-Q553 HydrophobicContact CB-CB 4.38Å; L549-Q553 HydrophobicContact CD2-CB 4.45Å; L549-I554 HydrophobicContact CB-CD1 4.27Å; L549-I554 HydrophobicContact CB-CG1 3.95Å; L549-I554 HydrophobicContact CD1-CG1 4.42Å
550R90.1Very high92.6Very high32 Ų3237 Ų3712%0.12118%0.183CC..PPolyproline II helixtrans-68.7158.4171.4-66.5-174.3-65.5-100.2-7.1111.4E278 N279 D282 E539 S552 Q553 I554E278-R550 VanDerWaalsContact OE2-CD 3.28Å; E278-R550 WeakPolarHBondContact OE2-CD 3.17Å; E278-R550 IonicContact OE2-NE 3.58Å; N279-R550 PolarHBondContact OD1-NH2 3.1Å; D282-R550 IonicContact OD2-CZ 3.55Å; D282-R550 IonicContact OD2-NH1 2.76Å; D282-R550 PolarHBondContact OD2-NH1 3.09Å; E539-R550 IonicContact OE1-NE 2.98Å; E539-R550 IonicContact OE1-NH2 3.57Å; E539-R550 IonicContact OE2-CZ 3.64Å; E539-R550 IonicContact OE2-NH2 3.67Å; E539-R550 PolarHBondContact OE2-NH2 3.01Å; R550-S552 VanDerWaalsContact C-N 3.28Å; R550-S552 PolarHBondContact O-N 2.81Å; R550-Q553 HydrophobicContact CB-CB 4.5Å; R550-Q553 HydrophobicContact CB-CG 4.24Å; R550-Q553 PolarHBondContact O-N 3Å; R550-I554 WeakPolarHBondContact O-CG1 3.32Å; R550-I554 PolarHBondContact O-N 3.01Å
551I91.8Very high93Very high31 Ų3132.3 Ų32.316%0.15916%0.161CC..Hα-helixtrans-65.4-36.3175.9-62.1-64000110.2E353 W355 Q553 I554 R555E353-I551 HydrophobicContact CB-CB 4.09Å; E353-I551 HydrophobicContact CB-CG1 4.2Å; E353-I551 HydrophobicContact CG-CB 4.17Å; E353-I551 WeakPolarHBondContact OE2-CB 3.35Å; E353-I551 PolarHBondContact OE2-N 3.23Å; W355-I551 HydrophobicContact CE3-CG2 4.16Å; I551-Q553 PolarHBondContact O-N 3.45Å; I551-I554 HydrophobicContact CD1-CD1 4.37Å; I551-I554 PolarHBondContact O-N 2.73Å; I551-R555 HydrophobicContact CG2-CG 4.26Å; I551-R555 WeakPolarHBondContact O-CB 3.46Å; I551-R555 VanDerWaalsContact O-CG 3.28Å; I551-R555 WeakPolarHBondContact O-CG 3.29Å; I551-R555 PolarHBondContact O-N 3.17Å; I551-R555 PolarHBondContact O-NE 2.88Å
552S91.3Very high93.6Very high17 Ų1729 Ų2912%0.11915%0.145CC..Hα-helixtrans-54-47.9170.264.90000113.2E353 E539 R550 R555 Y556E353-S552 WeakPolarHBondContact OE1-CB 3.35Å; E353-S552 PolarHBondContact OE1-N 2.55Å; E353-S552 PolarHBondContact OE2-N 3.03Å; E539-S552 VanDerWaalsContact CD-OG 3.25Å; E539-S552 VanDerWaalsContact OE1-CB 3.25Å; E539-S552 WeakPolarHBondContact OE1-CB 3.38Å; E539-S552 PolarHBondContact OE1-OG 2.72Å; R550-S552 VanDerWaalsContact C-N 3.28Å; R550-S552 PolarHBondContact O-N 2.81Å; S552-R555 PolarHBondContact O-N 3.45Å; S552-Y556 WeakPolarHBondContact O-CB 3.46Å; S552-Y556 PolarHBondContact O-N 2.95Å
553Q94Very high94Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-62.8-43.2178.2-69.9178.5-62.200111.8E539 S542 N543 W544 L549 R550 I551 Y556 A557E539-Q553 HydrophobicContact CB-CG 4.48Å; E539-Q553 HydrophobicContact CG-CG 4.27Å; E539-Q553 VanDerWaalsContact OE2-CG 3.25Å; E539-Q553 WeakPolarHBondContact OE2-CG 3.34Å; S542-Q553 PolarHBondContact OG-NE2 2.72Å; N543-Q553 PolarHBondContact O-NE2 3.24Å; W544-Q553 HydrophobicContact CE3-CB 4.46Å; W544-Q553 HydrophobicContact CH2-CB 4.07Å; W544-Q553 WeakPolarHBondContact CH2-O 3.28Å; W544-Q553 HydrophobicContact CZ3-CB 3.75Å; W544-Q553 HydrophobicContact CZ3-CG 4.35Å; L549-Q553 HydrophobicContact CB-CB 4.38Å; L549-Q553 HydrophobicContact CD2-CB 4.45Å; R550-Q553 HydrophobicContact CB-CB 4.5Å; R550-Q553 HydrophobicContact CB-CG 4.24Å; R550-Q553 PolarHBondContact O-N 3Å; I551-Q553 PolarHBondContact O-N 3.45Å; Q553-Y556 PolarHBondContact O-N 2.81Å; Q553-A557 WeakPolarHBondContact O-CB 3.23Å; Q553-A557 PolarHBondContact O-N 2.97Å
554I96.2Very high94.5Very high29 Ų2928.1 Ų28.115%0.14914%0.14CC..Hα-helixtrans-64-43.3178.3-65.6168.9000110.8W355 V375 L429 L549 R550 I551 A557 A558W355-I554 HydrophobicContact CH2-CG2 4.41Å; W355-I554 HydrophobicContact CZ3-CG2 3.94Å; V375-I554 HydrophobicContact CG1-CG2 3.99Å; L429-I554 HydrophobicContact CD1-CB 4.49Å; L429-I554 HydrophobicContact CD1-CG2 3.79Å; L549-I554 HydrophobicContact CB-CD1 4.27Å; L549-I554 HydrophobicContact CB-CG1 3.95Å; L549-I554 HydrophobicContact CD1-CG1 4.42Å; R550-I554 WeakPolarHBondContact O-CG1 3.32Å; R550-I554 PolarHBondContact O-N 3.01Å; I551-I554 HydrophobicContact CD1-CD1 4.37Å; I551-I554 PolarHBondContact O-N 2.73Å; I554-A557 PolarHBondContact O-N 3.33Å; I554-A558 WeakPolarHBondContact O-CB 3.39Å; I554-A558 PolarHBondContact O-N 3.41Å
555R95.3Very high94.7Very high45 Ų4529.1 Ų29.117%0.1715%0.145CC..Hα-helixtrans-63.9-44.7177.3-72.5179.7-57.9-170.6-7.3112.2E353 E354 W355 I551 S552 A558 A559E353-R555 IonicContact OE1-CZ 2.83Å; E353-R555 IonicContact OE1-NH2 3.19Å; E353-R555 PolarHBondContact OE1-NH2 2.82Å; E354-R555 PolarHBondContact O-NH1 2.91Å; W355-R555 HydrophobicContact CD2-CG 4.24Å; W355-R555 HydrophobicContact CE3-CG 3.67Å; W355-R555 HydrophobicContact CH2-CG 3.72Å; W355-R555 HydrophobicContact CZ2-CG 4.3Å; W355-R555 HydrophobicContact CZ3-CB 4.49Å; W355-R555 HydrophobicContact CZ3-CG 3.39Å; W355-R555 WeakPolarHBondContact O-CD 3.32Å; W355-R555 PolarHBondContact O-NH1 2.95Å; I551-R555 HydrophobicContact CG2-CG 4.26Å; I551-R555 WeakPolarHBondContact O-CB 3.46Å; I551-R555 VanDerWaalsContact O-CG 3.28Å; I551-R555 WeakPolarHBondContact O-CG 3.29Å; I551-R555 PolarHBondContact O-N 3.17Å; I551-R555 PolarHBondContact O-NE 2.88Å; S552-R555 PolarHBondContact O-N 3.45Å; R555-A558 PolarHBondContact O-N 2.92Å; R555-A559 WeakPolarHBondContact O-CB 3.49Å; R555-A559 PolarHBondContact O-N 3.05Å
556Y95.9Very high95Very high18 Ų1826.7 Ų26.77%0.07114%0.135CC..Hα-helixtrans-56.6-55.2175.1176.9-78.2000110.5E403 D536 E539 Q540 W544 S552 Q553 A558 A559 D560E403-Y556 WeakPolarHBondContact OE1-CE1 3.39Å; D536-Y556 WeakPolarHBondContact O-CD2 3.18Å; D536-Y556 WeakPolarHBondContact O-CE2 3.48Å; E539-Y556 HydrophobicContact CB-CD1 4.31Å; E539-Y556 HydrophobicContact CB-CD2 3.81Å; E539-Y556 HydrophobicContact CB-CG 3.69Å; Q540-Y556 HydrophobicContact CB-CE2 4.18Å; Q540-Y556 WeakPolarHBondContact CB-OH 3.42Å; W544-Y556 AromaticContact CH2-CD1 3.7Å; W544-Y556 HydrophobicContact CH2-CD1 3.7Å; W544-Y556 HydrophobicContact CH2-CE1 4.45Å; W544-Y556 HydrophobicContact CH2-CG 4.45Å; W544-Y556 AromaticContact CZ2-CD1 3.64Å; W544-Y556 HydrophobicContact CZ2-CD1 3.64Å; W544-Y556 AromaticContact CZ2-CE1 3.99Å; W544-Y556 HydrophobicContact CZ2-CE1 3.99Å; W544-Y556 HydrophobicContact CZ2-CG 4.5Å; S552-Y556 WeakPolarHBondContact O-CB 3.46Å; S552-Y556 PolarHBondContact O-N 2.95Å; Q553-Y556 PolarHBondContact O-N 2.81Å; Y556-A558 VanDerWaalsContact C-N 3.28Å; Y556-A558 PolarHBondContact O-N 2.78Å; Y556-A559 PolarHBondContact O-N 3.07Å; Y556-D560 HydrophobicContact CE1-CB 4.42Å; Y556-D560 WeakPolarHBondContact CE1-OD2 3.37Å; Y556-D560 PolarHBondContact O-N 2.83Å; Y556-D560 PolarHBondContact OH-OD2 2.55Å
557A97.7Very high95.5Very high0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-58.6-40.6-178.700000111.9L418 Q420 L429 W544 Q553 I554 A561L418-A557 HydrophobicContact CD2-CB 3.86Å; Q420-A557 HydrophobicContact CG-CB 3.86Å; Q420-A557 WeakPolarHBondContact CG-O 3.34Å; L429-A557 HydrophobicContact CD2-CB 4.09Å; W544-A557 HydrophobicContact CH2-CB 4.07Å; W544-A557 HydrophobicContact CZ3-CB 4.16Å; Q553-A557 WeakPolarHBondContact O-CB 3.23Å; Q553-A557 PolarHBondContact O-N 2.97Å; I554-A557 PolarHBondContact O-N 3.33Å; A557-A561 PolarHBondContact O-N 3.22Å
558A97.8Very high95.9Very high2 Ų220.9 Ų20.92%0.01711%0.111CC..Hα-helixtrans-66.8-40.8176.500000112.9V375 V427 I554 R555 Y556 Y562V375-A558 HydrophobicContact CG1-CB 4.31Å; V375-A558 HydrophobicContact CG2-CB 4.11Å; V427-A558 HydrophobicContact CB-CB 4.41Å; V427-A558 HydrophobicContact CG1-CB 4.18Å; V427-A558 HydrophobicContact CG2-CB 4.36Å; I554-A558 WeakPolarHBondContact O-CB 3.39Å; I554-A558 PolarHBondContact O-N 3.41Å; R555-A558 PolarHBondContact O-N 2.92Å; Y556-A558 VanDerWaalsContact C-N 3.28Å; Y556-A558 PolarHBondContact O-N 2.78Å; A558-Y562 WeakPolarHBondContact O-CB 3.01Å; A558-Y562 PolarHBondContact O-N 3.44Å
559A97.3Very high96.1Very high14 Ų1418.5 Ų18.512%0.11610%0.097CC..Hα-helixtrans-66-41.5178.300000112.5Y366 R555 Y556 A561 Y562 C563Y366-A559 HydrophobicContact CD1-CB 4.47Å; Y366-A559 HydrophobicContact CE1-CB 4.43Å; R555-A559 WeakPolarHBondContact O-CB 3.49Å; R555-A559 PolarHBondContact O-N 3.05Å; Y556-A559 PolarHBondContact O-N 3.07Å; A559-A561 PolarHBondContact O-N 2.93Å; A559-Y562 PolarHBondContact O-N 2.95Å; A559-C563 WeakPolarHBondContact O-CB 3.17Å; A559-C563 PolarHBondContact O-N 2.94Å; A559-C563 PolarHBondContact O-SG 3.16Å
560D97.6Very high96.3Very high12 Ų1219.2 Ų19.26%0.06411%0.106CC..Hα-helixtrans-64.6-38.7-177.1-87.320.1000112.2Y556 C563Y556-D560 HydrophobicContact CE1-CB 4.42Å; Y556-D560 WeakPolarHBondContact CE1-OD2 3.37Å; Y556-D560 PolarHBondContact O-N 2.83Å; Y556-D560 PolarHBondContact OH-OD2 2.55Å; D560-C563 PolarHBondContact O-SG 3.26Å
561A98.2Very high96.5Very high0 Ų017.7 Ų17.70%010%0.1CC..Hα-helixtrans-78.2-41173.500000113.5D401 Q420 A422 A557 A559 L564D401-A561 HydrophobicContact CB-CB 4.26Å; Q420-A561 HydrophobicContact CB-CB 3.56Å; A422-A561 HydrophobicContact CB-CB 3.83Å; A557-A561 PolarHBondContact O-N 3.22Å; A559-A561 PolarHBondContact O-N 2.93Å; A561-L564 WeakPolarHBondContact O-CB 3.01Å; A561-L564 PolarHBondContact O-N 3.14Å
562Y98.6Very high96.7Very high7 Ų718.4 Ų18.43%0.02711%0.108CC..Hα-helixtrans-72.1-34-175.4-163.7-84.9000112.6A368 P369 L370 A422 V427 A558 A559 L564 L565 D566A368-Y562 HydrophobicContact CB-CD1 4.27Å; A368-Y562 HydrophobicContact CB-CG 4.34Å; P369-Y562 VanDerWaalsContact CD-CE1 3.45Å; P369-Y562 HydrophobicContact CG-CD1 4.36Å; P369-Y562 HydrophobicContact CG-CE1 3.55Å; L370-Y562 HydrophobicContact CD1-CD2 3.67Å; L370-Y562 HydrophobicContact CD1-CE2 4.08Å; L370-Y562 HydrophobicContact CD1-CG 4.08Å; L370-Y562 HydrophobicContact CD2-CD2 4.31Å; L370-Y562 HydrophobicContact CD2-CE2 3.85Å; L370-Y562 HydrophobicContact CG-CD2 4.21Å; L370-Y562 HydrophobicContact CG-CE2 4.18Å; A422-Y562 HydrophobicContact CB-CD2 4.22Å; V427-Y562 HydrophobicContact CG2-CD2 3.97Å; A558-Y562 WeakPolarHBondContact O-CB 3.01Å; A558-Y562 PolarHBondContact O-N 3.44Å; A559-Y562 PolarHBondContact O-N 2.95Å; Y562-L564 PolarHBondContact O-N 3.36Å; Y562-L564 VanDerWaalsContact O-N 3.09Å; Y562-L565 HydrophobicContact CD2-CD1 4.06Å; Y562-L565 HydrophobicContact CE2-CD1 4.09Å; Y562-L565 WeakPolarHBondContact O-CB 3.38Å; Y562-L565 PolarHBondContact O-N 2.91Å; Y562-D566 WeakPolarHBondContact CE1-OD1 3.49Å; Y562-D566 PolarHBondContact O-N 3.3Å
563C98.4Very high96.8Very high0 Ų022.3 Ų22.30%014%0.135CC..Hα-helixtrans-59.3-26.4178.677.50000112.5Y366 V527 L535 A559 D560 L565 D566 V567Y366-C563 HydrophobicContact CD1-CB 4.09Å; Y366-C563 HydrophobicContact CE1-CB 3.58Å; V527-C563 HydrophobicContact CG2-CB 4Å; L535-C563 HydrophobicContact CD2-CB 4.24Å; A559-C563 WeakPolarHBondContact O-CB 3.17Å; A559-C563 PolarHBondContact O-N 2.94Å; A559-C563 PolarHBondContact O-SG 3.16Å; D560-C563 PolarHBondContact O-SG 3.26Å; C563-L565 VanDerWaalsContact C-N 3.3Å; C563-L565 PolarHBondContact O-N 2.9Å; C563-D566 PolarHBondContact O-N 2.9Å; C563-V567 VanDerWaalsContact O-CB 3.3Å; C563-V567 WeakPolarHBondContact O-CB 3.38Å; C563-V567 VanDerWaalsContact O-CG2 3.23Å; C563-V567 WeakPolarHBondContact O-CG2 3.38Å; C563-V567 PolarHBondContact O-N 3.07Å
564L98.6Very high96.6Very high2 Ų226.3 Ų26.31%0.0116%0.156CC..Hα-helixtrans-62-39.2175.6-56.3171.5000111.2V400 L459 L490 L523 A561 Y562 Y568V400-L564 WeakPolarHBondContact O-CD1 3.42Å; L459-L564 HydrophobicContact CB-CB 4.07Å; L459-L564 HydrophobicContact CD1-CB 4.42Å; L459-L564 WeakPolarHBondContact CD1-O 3.44Å; L490-L564 HydrophobicContact CD1-CB 4.16Å; L490-L564 HydrophobicContact CD1-CD2 3.81Å; L523-L564 HydrophobicContact CD1-CD2 3.79Å; L523-L564 HydrophobicContact CD2-CD2 4.11Å; A561-L564 WeakPolarHBondContact O-CB 3.01Å; A561-L564 PolarHBondContact O-N 3.14Å; Y562-L564 PolarHBondContact O-N 3.36Å; Y562-L564 VanDerWaalsContact O-N 3.09Å; L564-Y568 VanDerWaalsContact O-CB 3.22Å; L564-Y568 WeakPolarHBondContact O-CB 3.35Å; L564-Y568 PolarHBondContact O-N 3.43Å
565L98.3Very high96.3Very high20 Ų2025.7 Ų25.711%0.10515%0.154CC..Hα-helixtrans-66.7-48176.7-58.7179.4000110.9V397 A422 V423 L459 Y562 C563 Y568 S569V397-L565 HydrophobicContact CB-CD2 4.38Å; V397-L565 HydrophobicContact CG1-CD2 3.82Å; A422-L565 HydrophobicContact CB-CD1 3.92Å; A422-L565 HydrophobicContact CB-CG 4.35Å; V423-L565 VanDerWaalsContact C-CD1 3.48Å; L459-L565 HydrophobicContact CD1-CD2 4.11Å; Y562-L565 HydrophobicContact CD2-CD1 4.06Å; Y562-L565 HydrophobicContact CE2-CD1 4.09Å; Y562-L565 WeakPolarHBondContact O-CB 3.38Å; Y562-L565 PolarHBondContact O-N 2.91Å; C563-L565 VanDerWaalsContact C-N 3.3Å; C563-L565 PolarHBondContact O-N 2.9Å; L565-Y568 PolarHBondContact O-N 3.5Å; L565-S569 VanDerWaalsContact O-CB 3.3Å; L565-S569 WeakPolarHBondContact O-CB 3.09Å; L565-S569 PolarHBondContact O-N 3.2Å
566D97.9Very high96Very high42 Ų4227.2 Ų27.223%0.22518%0.176CC..Hα-helixtrans-64.5-43.6-179.4-78.4-8.7000111.6Y366 L531 Y562 C563 S569 A570Y366-D566 PolarHBondContact OH-OD2 3.32Å; L531-D566 HydrophobicContact CD1-CB 3.64Å; L531-D566 HydrophobicContact CD2-CB 4.33Å; Y562-D566 WeakPolarHBondContact CE1-OD1 3.49Å; Y562-D566 PolarHBondContact O-N 3.3Å; C563-D566 PolarHBondContact O-N 2.9Å; D566-S569 PolarHBondContact O-N 2.99Å; D566-A570 WeakPolarHBondContact O-CB 3.39Å; D566-A570 PolarHBondContact O-N 2.95Å
567V97.8Very high95.6Very high0 Ų029.6 Ų29.60%020%0.195CC..Hα-helixtrans-60.2-49.4174.4166.90000110.2L490 L526 V527 V530 L531 C563 S569 A570 L571L490-V567 HydrophobicContact CD1-CG1 4.15Å; L526-V567 HydrophobicContact CD1-CG1 4.42Å; L526-V567 HydrophobicContact CD2-CG1 3.86Å; L526-V567 HydrophobicContact CG-CG1 3.98Å; V527-V567 HydrophobicContact CG2-CG2 4.02Å; V530-V567 HydrophobicContact CB-CG2 4.47Å; V530-V567 HydrophobicContact CG1-CG1 4.4Å; V530-V567 HydrophobicContact CG2-CG1 4.44Å; L531-V567 HydrophobicContact CD1-CG2 3.94Å; L531-V567 HydrophobicContact CG-CG2 4.14Å; C563-V567 VanDerWaalsContact O-CB 3.3Å; C563-V567 WeakPolarHBondContact O-CB 3.38Å; C563-V567 VanDerWaalsContact O-CG2 3.23Å; C563-V567 WeakPolarHBondContact O-CG2 3.38Å; C563-V567 PolarHBondContact O-N 3.07Å; V567-S569 VanDerWaalsContact C-N 3.33Å; V567-S569 PolarHBondContact O-N 3.45Å; V567-A570 PolarHBondContact O-N 2.79Å; V567-L571 HydrophobicContact CG1-CD1 3.73Å; V567-L571 HydrophobicContact CG1-CG 4.22Å; V567-L571 WeakPolarHBondContact O-CB 3.25Å; V567-L571 VanDerWaalsContact O-CG 3.24Å; V567-L571 WeakPolarHBondContact O-CG 3.13Å; V567-L571 PolarHBondContact O-N 2.7Å
568Y97.5Very high95.1Very high34 Ų3431.9 Ų31.913%0.13321%0.205CC..Hα-helixtrans-61.9-41.1179.4176.3-104.4000112.2V397 L457 L459 L488 L564 L565 S572 L584V397-Y568 HydrophobicContact CG1-CD1 4.27Å; V397-Y568 HydrophobicContact CG1-CE1 4.45Å; V397-Y568 HydrophobicContact CG2-CE1 4.48Å; L457-Y568 HydrophobicContact CD2-CE1 3.84Å; L457-Y568 HydrophobicContact CD2-CE2 3.98Å; L457-Y568 VanDerWaalsContact CD2-CZ 3.49Å; L457-Y568 WeakPolarHBondContact CD2-OH 3.33Å; L459-Y568 VanDerWaalsContact CD1-CB 3.42Å; L459-Y568 HydrophobicContact CD1-CD1 4.1Å; L459-Y568 HydrophobicContact CD1-CD2 4.44Å; L459-Y568 HydrophobicContact CD1-CG 3.74Å; L459-Y568 HydrophobicContact CD2-CD2 3.97Å; L459-Y568 HydrophobicContact CD2-CE2 4.44Å; L459-Y568 HydrophobicContact CD2-CG 4.08Å; L488-Y568 HydrophobicContact CD2-CD2 3.84Å; L488-Y568 HydrophobicContact CD2-CE2 3.66Å; L564-Y568 VanDerWaalsContact O-CB 3.22Å; L564-Y568 WeakPolarHBondContact O-CB 3.35Å; L564-Y568 PolarHBondContact O-N 3.43Å; L565-Y568 PolarHBondContact O-N 3.5Å; Y568-S572 WeakPolarHBondContact CE2-OG 3.19Å; Y568-S572 WeakPolarHBondContact O-CB 3.38Å; Y568-S572 PolarHBondContact O-N 3.4Å; Y568-S572 PolarHBondContact O-OG 2.79Å; Y568-L584 HydrophobicContact CD2-CD1 3.97Å; Y568-L584 HydrophobicContact CE2-CB 4.35Å; Y568-L584 HydrophobicContact CE2-CD1 3.94Å
569S96.2Very high94.7Very high68 Ų6834 Ų3448%0.47623%0.228SC..Hα-helixtrans-61.3-48.2176.2-176.60000111.8L565 D566 V567 S572 S573L565-S569 VanDerWaalsContact O-CB 3.3Å; L565-S569 WeakPolarHBondContact O-CB 3.09Å; L565-S569 PolarHBondContact O-N 3.2Å; D566-S569 PolarHBondContact O-N 2.99Å; V567-S569 VanDerWaalsContact C-N 3.33Å; V567-S569 PolarHBondContact O-N 3.45Å; S569-S572 PolarHBondContact O-N 2.7Å; S569-S573 WeakPolarHBondContact O-CB 3.28Å; S569-S573 PolarHBondContact O-N 3.26Å; S569-S573 PolarHBondContact O-OG 3.43Å
570A95.9Very high94.4Very high31 Ų3134 Ų3426%0.25623%0.226SC..Hα-helixtrans-63.7-45.4178.500000112.2V530 L531 D566 V567 S573V530-A570 HydrophobicContact CG1-CB 3.56Å; L531-A570 HydrophobicContact CD2-CB 3.98Å; D566-A570 WeakPolarHBondContact O-CB 3.39Å; D566-A570 PolarHBondContact O-N 2.95Å; V567-A570 PolarHBondContact O-N 2.79Å; A570-S573 PolarHBondContact O-N 2.87Å
571L95.1Very high94.1Very high0 Ų036 Ų360%024%0.239CC..Hα-helixtrans-64.7-40.4177-68.3178.2000111.9V493 I497 V530 V567 S573 N574 P575 F578 L580 L584V493-L571 HydrophobicContact CG1-CD1 3.91Å; I497-L571 HydrophobicContact CD1-CD1 4.32Å; I497-L571 HydrophobicContact CD1-CD2 3.84Å; V530-L571 HydrophobicContact CG1-CD2 4.19Å; V530-L571 HydrophobicContact CG1-CG 4.19Å; V530-L571 HydrophobicContact CG2-CD2 3.77Å; V530-L571 HydrophobicContact CG2-CG 4.25Å; V567-L571 HydrophobicContact CG1-CD1 3.73Å; V567-L571 HydrophobicContact CG1-CG 4.22Å; V567-L571 WeakPolarHBondContact O-CB 3.25Å; V567-L571 VanDerWaalsContact O-CG 3.24Å; V567-L571 WeakPolarHBondContact O-CG 3.13Å; V567-L571 PolarHBondContact O-N 2.7Å; L571-S573 VanDerWaalsContact C-N 3.34Å; L571-N574 CarbonylContact O-C 3.58Å; L571-P575 VanDerWaalsContact O-CA 3.23Å; L571-P575 WeakPolarHBondContact O-CA 3.41Å; L571-P575 WeakPolarHBondContact O-CD 3.29Å; L571-P575 WeakPolarHBondContact O-CG 3.33Å; L571-P575 VanDerWaalsContact O-N 3.08Å; L571-F578 HydrophobicContact CD2-CB 4.15Å; L571-F578 HydrophobicContact CD2-CD1 3.85Å; L571-F578 HydrophobicContact CD2-CD2 3.59Å; L571-F578 HydrophobicContact CD2-CE1 4.12Å; L571-F578 HydrophobicContact CD2-CE2 3.89Å; L571-F578 HydrophobicContact CD2-CG 3.58Å; L571-F578 HydrophobicContact CD2-CZ 4.14Å; L571-L580 HydrophobicContact CB-CD1 4.5Å; L571-L580 HydrophobicContact CD1-CD1 4.4Å; L571-L580 HydrophobicContact CD2-CD1 3.98Å; L571-L584 HydrophobicContact CB-CD1 3.79Å
572S94.3Very high93.6Very high46 Ų4640.8 Ų40.832%0.32228%0.279SS..Hα-helixtrans-72.9-27-179.3-58.10000112.9Y568 S569 P575 L584Y568-S572 WeakPolarHBondContact CE2-OG 3.19Å; Y568-S572 WeakPolarHBondContact O-CB 3.38Å; Y568-S572 PolarHBondContact O-N 3.4Å; Y568-S572 PolarHBondContact O-OG 2.79Å; S569-S572 PolarHBondContact O-N 2.7Å; S572-P575 WeakPolarHBondContact O-CD 3.29Å; S572-L584 WeakPolarHBondContact OG-CD1 3.42Å
573S94.6Very high93.2Very high99 Ų9944.4 Ų44.469%0.69230%0.299SS*.Hα-helixtrans-70.5-32.3178.6-63.50000112.6S569 A570 L571S569-S573 WeakPolarHBondContact O-CB 3.28Å; S569-S573 PolarHBondContact O-N 3.26Å; S569-S573 PolarHBondContact O-OG 3.43Å; A570-S573 PolarHBondContact O-N 2.87Å; L571-S573 VanDerWaalsContact C-N 3.34Å
574N88.5Confident92.8Very high83 Ų8344.5 Ų44.544%0.44430%0.299SS..  trans-146.672.8174.7-169.2-3.3000112.1L571 A576 S577 F578L571-N574 CarbonylContact O-C 3.58Å; N574-A576 PolarHBondContact O-N 3Å; N574-S577 VanDerWaalsContact CG-OG 3.28Å; N574-S577 PolarHBondContact ND2-OG 3.23Å; N574-S577 PolarHBondContact O-N 3.37Å; N574-S577 PolarHBondContact O-OG 3.46Å; N574-S577 PolarHBondContact OD1-N 3.27Å; N574-F578 VanDerWaalsContact O-CD2 3.27Å; N574-F578 WeakPolarHBondContact O-CD2 3.19Å
575P90.9Very high92.3Very high17 Ų1750.4 Ų50.411%0.1132%0.321CS..G310 helixtrans-61.7-33.9-176.5-22.232.6000112.7L571 S572 S577 F578 G579 L580 P581 L584L571-P575 VanDerWaalsContact O-CA 3.23Å; L571-P575 WeakPolarHBondContact O-CA 3.41Å; L571-P575 WeakPolarHBondContact O-CD 3.29Å; L571-P575 WeakPolarHBondContact O-CG 3.33Å; L571-P575 VanDerWaalsContact O-N 3.08Å; S572-P575 WeakPolarHBondContact O-CD 3.29Å; P575-S577 PolarHBondContact O-N 3Å; P575-F578 PolarHBondContact O-N 2.74Å; P575-F578 VanDerWaalsContact O-N 3.08Å; P575-G579 PolarHBondContact O-N 3.29Å; P575-L580 CarbonylContact C-O 3.57Å; P575-L580 HydrophobicContact CB-CB 4.04Å; P575-L580 WeakPolarHBondContact O-CB 3.47Å; P575-L580 PolarHBondContact O-N 2.92Å; P575-P581 VanDerWaalsContact CB-O 3.22Å; P575-P581 WeakPolarHBondContact CB-O 3.43Å; P575-L584 HydrophobicContact CB-CD2 4.47Å
576A89Confident91.7Very high76 Ų7651.9 Ų51.963%0.62833%0.333SS*.G310 helixtrans-63.1-36.5-177.600000112.9N574 F578 G579N574-A576 PolarHBondContact O-N 3Å; A576-F578 PolarHBondContact O-N 3.03Å; A576-G579 PolarHBondContact O-N 3.38Å
577S87.9Confident91Very high68 Ų6851.3 Ų51.348%0.47633%0.33SS..G310 helixtrans-64.9-20.4176.760.60000113.3N574 P575N574-S577 VanDerWaalsContact CG-OG 3.28Å; N574-S577 PolarHBondContact ND2-OG 3.23Å; N574-S577 PolarHBondContact O-N 3.37Å; N574-S577 PolarHBondContact O-OG 3.46Å; N574-S577 PolarHBondContact OD1-N 3.27Å; P575-S577 PolarHBondContact O-N 3Å
578F87.4Confident89.5Confident49 Ų4954 Ų5422%0.21535%0.346CS..G310 helixtrans-100.63.4176.3-59.5-80.5000113.1I497 V530 L571 N574 P575 A576 L580I497-F578 HydrophobicContact CD1-CB 4.5Å; I497-F578 HydrophobicContact CG1-CB 4.33Å; V530-F578 HydrophobicContact CG1-CZ 4.44Å; V530-F578 HydrophobicContact CG2-CE1 4.28Å; L571-F578 HydrophobicContact CD2-CB 4.15Å; L571-F578 HydrophobicContact CD2-CD1 3.85Å; L571-F578 HydrophobicContact CD2-CD2 3.59Å; L571-F578 HydrophobicContact CD2-CE1 4.12Å; L571-F578 HydrophobicContact CD2-CE2 3.89Å; L571-F578 HydrophobicContact CD2-CG 3.58Å; L571-F578 HydrophobicContact CD2-CZ 4.14Å; N574-F578 VanDerWaalsContact O-CD2 3.27Å; N574-F578 WeakPolarHBondContact O-CD2 3.19Å; P575-F578 PolarHBondContact O-N 2.74Å; P575-F578 VanDerWaalsContact O-N 3.08Å; A576-F578 PolarHBondContact O-N 3.03Å; F578-L580 VanDerWaalsContact C-N 3.31Å; F578-L580 HydrophobicContact CB-CD1 3.85Å; F578-L580 HydrophobicContact CB-CG 3.99Å
579G88.3Confident87.4Confident47 Ų4756.7 Ų56.749%0.48537%0.37SS..THydrogen-bonded Turntrans70.126.1-175.800000113.7P575 A576P575-G579 PolarHBondContact O-N 3.29Å; A576-G579 PolarHBondContact O-N 3.38Å
580L91.6Very high84.7Confident13 Ų1356.8 Ų56.87%0.06838%0.382CS..  trans-103.4154.4-176.5-63.6173.5000112V493 E496 I497 L571 P575 F578 L584 I587V493-L580 HydrophobicContact CG1-CD1 3.66Å; V493-L580 HydrophobicContact CG1-CD2 4.02Å; E496-L580 HydrophobicContact CB-CD2 3.94Å; I497-L580 HydrophobicContact CD1-CD1 4.06Å; I497-L580 HydrophobicContact CG1-CD1 3.87Å; I497-L580 HydrophobicContact CG1-CD2 3.93Å; I497-L580 HydrophobicContact CG1-CG 4.06Å; L571-L580 HydrophobicContact CB-CD1 4.5Å; L571-L580 HydrophobicContact CD1-CD1 4.4Å; L571-L580 HydrophobicContact CD2-CD1 3.98Å; P575-L580 CarbonylContact C-O 3.57Å; P575-L580 HydrophobicContact CB-CB 4.04Å; P575-L580 WeakPolarHBondContact O-CB 3.47Å; P575-L580 PolarHBondContact O-N 2.92Å; F578-L580 VanDerWaalsContact C-N 3.31Å; F578-L580 HydrophobicContact CB-CD1 3.85Å; F578-L580 HydrophobicContact CB-CG 3.99Å; L580-L584 HydrophobicContact CB-CD2 3.81Å; L580-L584 HydrophobicContact CD1-CD2 3.76Å; L580-L584 HydrophobicContact CG-CD2 4.32Å; L580-I587 HydrophobicContact CD2-CD1 4Å
581P90.7Very high81.9Confident53 Ų5364 Ų6434%0.34441%0.41SS..  trans-64.515717228.7-36.3000112P575 D583 I587P575-P581 VanDerWaalsContact CB-O 3.22Å; P575-P581 WeakPolarHBondContact CB-O 3.43Å; P581-D583 VanDerWaalsContact C-N 3.25Å; P581-D583 PolarHBondContact O-N 3.5Å; P581-I587 HydrophobicContact CG-CD1 3.96Å; P581-I587 HydrophobicContact CG-CG1 3.71Å
582A88.6Confident78.9Confident101 Ų10168.8 Ų68.884%0.83544%0.444SS*.SBendtrans-58.8-35.9178.500000113
583D89.9Confident76Confident84 Ų8475.7 Ų75.745%0.44947%0.471SS..  trans-104.6105.7171.4-179.614.8000110.4P581 R585 S586P581-D583 VanDerWaalsContact C-N 3.25Å; P581-D583 PolarHBondContact O-N 3.5Å; D583-R585 PolarHBondContact O-N 3.45Å; D583-R585 VanDerWaalsContact O-N 3.16Å; D583-R585 VanDerWaalsContact OD1-CB 3.23Å; D583-R585 WeakPolarHBondContact OD1-CB 3.28Å; D583-R585 WeakPolarHBondContact OD1-CG 3.37Å; D583-R585 PolarHBondContact OD1-N 2.98Å; D583-S586 WeakPolarHBondContact O-CB 3.49Å; D583-S586 PolarHBondContact O-N 2.97Å; D583-S586 VanDerWaalsContact O-N 3.09Å; D583-S586 PolarHBondContact O-OG 2.94Å
584L90.3Very high73Confident2 Ų279.7 Ų79.71%0.0148%0.476CS..G310 helixtrans-62-22.2177.7-60.5-177.2000112.8L488 Y568 L571 S572 P575 L580 S586 I587L488-L584 HydrophobicContact CD2-CB 4.22Å; Y568-L584 HydrophobicContact CD2-CD1 3.97Å; Y568-L584 HydrophobicContact CE2-CB 4.35Å; Y568-L584 HydrophobicContact CE2-CD1 3.94Å; L571-L584 HydrophobicContact CB-CD1 3.79Å; S572-L584 WeakPolarHBondContact OG-CD1 3.42Å; P575-L584 HydrophobicContact CB-CD2 4.47Å; L580-L584 HydrophobicContact CB-CD2 3.81Å; L580-L584 HydrophobicContact CD1-CD2 3.76Å; L580-L584 HydrophobicContact CG-CD2 4.32Å; L584-S586 PolarHBondContact O-N 3.03Å; L584-I587 HydrophobicContact CD2-CD1 4.14Å; L584-I587 WeakPolarHBondContact O-CB 3.35Å; L584-I587 PolarHBondContact O-N 3.3Å
585R86.9Confident70.2Confident126 Ų12681 Ų8148%0.47549%0.492SS..G310 helixtrans-70.1-19.4178.2-55.7174-176.8-176.30.8111.8D583 I587 T588D583-R585 PolarHBondContact O-N 3.45Å; D583-R585 VanDerWaalsContact O-N 3.16Å; D583-R585 VanDerWaalsContact OD1-CB 3.23Å; D583-R585 WeakPolarHBondContact OD1-CB 3.28Å; D583-R585 WeakPolarHBondContact OD1-CG 3.37Å; D583-R585 PolarHBondContact OD1-N 2.98Å; R585-I587 PolarHBondContact O-N 3.37Å; R585-T588 PolarHBondContact O-N 2.67Å; R585-T588 PolarHBondContact O-OG1 3.44Å
586S86.6Confident67.4Low51 Ų5189.9 Ų89.936%0.35753%0.528SS..G310 helixtrans-68.3-23.2176.5790000112.5D583 L584 T588 S589D583-S586 WeakPolarHBondContact O-CB 3.49Å; D583-S586 PolarHBondContact O-N 2.97Å; D583-S586 VanDerWaalsContact O-N 3.09Å; D583-S586 PolarHBondContact O-OG 2.94Å; L584-S586 PolarHBondContact O-N 3.03Å; S586-T588 PolarHBondContact O-N 3.46Å; S586-S589 PolarHBondContact O-N 2.96Å; S586-S589 VanDerWaalsContact O-N 3.11Å; S586-S589 PolarHBondContact O-OG 3.44Å
587I83.6Confident64.5Low29 Ų2993.6 Ų93.615%0.14954%0.538CS..G310 helixtrans-66.2-26.7-178.1-58.5169.7000111.2K492 V493 E496 L580 P581 L584 R585 S589K492-I587 HydrophobicContact CB-CG2 4.32Å; V493-I587 HydrophobicContact CB-CD1 4.48Å; V493-I587 HydrophobicContact CG1-CD1 4.2Å; V493-I587 HydrophobicContact CG2-CD1 4.05Å; E496-I587 HydrophobicContact CG-CG2 3.98Å; L580-I587 HydrophobicContact CD2-CD1 4Å; P581-I587 HydrophobicContact CG-CD1 3.96Å; P581-I587 HydrophobicContact CG-CG1 3.71Å; L584-I587 HydrophobicContact CD2-CD1 4.14Å; L584-I587 WeakPolarHBondContact O-CB 3.35Å; L584-I587 PolarHBondContact O-N 3.3Å; R585-I587 PolarHBondContact O-N 3.37Å; I587-S589 VanDerWaalsContact C-N 3.33Å
588T66.2Low61.7Low56 Ų56100 Ų10034%0.34456%0.557SS.*G310 helixtrans-78.6-17.2177.157.40000113.4L488 R585 S586L488-T588 HydrophobicContact CD1-CG2 3.56Å; R585-T588 PolarHBondContact O-N 2.67Å; R585-T588 PolarHBondContact O-OG1 3.44Å; S586-T588 PolarHBondContact O-N 3.46Å
589S52.6Low58.8Low91 Ų91107 Ų10764%0.63659%0.59SS**G310 helixtrans-89.4-2.7-173.871.50000115.2S586 I587 Q591S586-S589 PolarHBondContact O-N 2.96Å; S586-S589 VanDerWaalsContact O-N 3.11Å; S586-S589 PolarHBondContact O-OG 3.44Å; I587-S589 VanDerWaalsContact C-N 3.33Å; S589-Q591 VanDerWaalsContact C-N 3.26Å; S589-Q591 PolarHBondContact O-N 3.46Å
590G40.1Very low55.9Low70 Ų70114.5 Ų114.572%0.72261%0.61SS**  trans-75.561.2-17900000114.6
591Q37.1Very low52.8Low183 Ų183124.4 Ų124.486%0.85565%0.652SS**  trans-76.7116149.3-76.2-168.5-8.800107.2S589 E593S589-Q591 VanDerWaalsContact C-N 3.26Å; S589-Q591 PolarHBondContact O-N 3.46Å; Q591-E593 VanDerWaalsContact C-N 3.32Å; Q591-E593 PolarHBondContact O-N 3.16Å
592S32.8Very low49.6Very low101 Ų101125.2 Ų125.271%0.70667%0.67SS**  trans-60.389.6173.2161.20000110.7K594S592-K594 VanDerWaalsContact C-N 3.32Å; S592-K594 PolarHBondContact O-N 3.27Å; S592-K594 VanDerWaalsContact O-N 3.12Å
593E31.5Very low46.6Very low191 Ų191130.7 Ų130.789%0.89368%0.675SS**  trans-70.792.2150.8-73.5-164.4155.100108.2Q591Q591-E593 VanDerWaalsContact C-N 3.32Å; Q591-E593 PolarHBondContact O-N 3.16Å
594K31.9Very low43.5Very low183 Ų183136.5 Ų136.580%0.79670%0.697SS**  trans-103.8100.1156.4-79.8-169.1177.4-177.50108.3S592S592-K594 VanDerWaalsContact C-N 3.32Å; S592-K594 PolarHBondContact O-N 3.27Å; S592-K594 VanDerWaalsContact O-N 3.12Å
595S30.3Very low40.3Very low111 Ų111141.1 Ų141.178%0.77674%0.735SS**  trans7.5114.815458.60000117D597S595-D597 PolarHBondContact O-N 2.74Å
596K31.6Very low37.3Very low202 Ų202140.2 Ų140.288%0.87875%0.754SS**  trans-58113.7152.8-71.7172175.7170.80109
597D28.4Very low34.2Very low154 Ų154146.7 Ų146.782%0.82478%0.779SS**  trans-178.6105.4135.5-96.9-20.2000110.5S595S595-D597 PolarHBondContact O-N 2.74Å
598K29.1Very low31.4Very low204 Ų204152.8 Ų152.889%0.88781%0.812SS**  trans179.4113.6131-97172.4-175.3-176.10111.4
599E26.5Very low29.5Very low194 Ų194155.1 Ų155.191%0.90783%0.828SS**  trans17.7134.6156.2-76.1179.9129.700123.5
600K27.3Very low28.1Very low206 Ų206156 Ų15690%0.89683%0.834SS**  trans-62.9137.3169.6-67.4167.9173.6171.60113.6
601K26.3Very low27.3Very low220 Ų220160.9 Ų160.996%0.95784%0.836SS**  trans-170121133.8-96.1174.5-171.5178.80104.7
602G23.8Very low26.8Very low70 Ų70161.7 Ų161.772%0.72284%0.84SS**  cis151.7114.49.100000105.4
603K25.8Very low26.3Very low217 Ų217163 Ų16394%0.94384%0.835SS**  trans-172.9125.9151.2-103.9166.6-172-175.60111.1
604K24.6Very low26Very low206 Ų206159.1 Ų159.190%0.89683%0.827SS**  trans-65.6127.3-178.4-66.3173.6174.8-1800110.1
605A23.4Very low25.7Very low98 Ų98156.7 Ų156.781%0.8182%0.818SS**  79.3108.384.900000114.6
606A23.9Very low25.4Very low108 Ų108154.7 Ų154.789%0.89382%0.816SS**  trans-143.9112.2146.300000107.5
607Q21.9Very low25.1Very low187 Ų187150 Ų15087%0.87481%0.814SS**  trans-105.2134.7171.9-81.4179.2-17.900108.5
608N23.5Very low24.9Very low156 Ų156149.5 Ų149.583%0.83481%0.807SS**  trans-176.6163.5130.8-105.5-2.8000111.5
609P26.5Very low24.6Very low105 Ų105149.9 Ų149.968%0.68280%0.803SS**  -122.7179.5-119.128.8-7.3000115.6
610S24Very low24.5Very low111 Ų111146.7 Ų146.778%0.77680%0.797SS**  trans61.492.6159.263.80000118.1
611K23.3Very low24.2Very low172 Ų172141.7 Ų141.775%0.74879%0.788SS**  trans-108.7102.5150.3-81.4-172.6164.3-152.20108.5E613K611-E613 IonicContact NZ-OE1 3.4Å; K611-E613 PolarHBondContact NZ-OE1 2.99Å
612E26.4Very low24.1Very low200 Ų200136.3 Ų136.394%0.93578%0.775SS**  trans-79.7107.9152.7-77.5176.4154.800106.6
613E23.2Very low24.2Very low129 Ų129138.6 Ų138.660%0.60378%0.777SS**  trans-112.8116.6169.6-89.5172.1-170.200107.7K611 Q615K611-E613 IonicContact NZ-OE1 3.4Å; K611-E613 PolarHBondContact NZ-OE1 2.99Å; E613-Q615 PolarHBondContact O-N 3.35Å
614C23.8Very low24.4Very low108 Ų108137.2 Ų137.273%0.7377%0.774SS**  trans-56111.9170.9-70.90000110.5
615Q25.8Very low24.5Very low132 Ų132131.1 Ų131.162%0.61776%0.757SS**  trans-95116.3174.5-66.3-178.29.800110.5E613E613-Q615 PolarHBondContact O-N 3.35Å
616G24.3Very low24.9Very low70 Ų70134 Ų13472%0.72276%0.759SS**  trans-141.1122.815900000106.5
617A25.2Very low25.2Very low103 Ų103136.9 Ų136.985%0.85175%0.751SS**  trans76.479-167.200000115.6R619A617-R619 PolarHBondContact O-N 2.75Å
618Q24.7Very low25.6Very low143 Ų143133 Ų13367%0.66874%0.736SS**  trans-74.3108.3158.7-93.9-179.6-5.400110V620Q618-V620 PolarHBondContact O-N 2.78Å
619R23Very low25.9Very low212 Ų212133.8 Ų133.880%0.873%0.732SS**  trans-62.3113.1146.1-87.1177.8172.7176.5-2.5107.1A617 S621A617-R619 PolarHBondContact O-N 2.75Å; R619-S621 PolarHBondContact O-N 2.9Å
620V23.1Very low26.2Very low128 Ų128131.6 Ų131.678%0.77673%0.729SS**  trans-74.8106.4166.7-178.60000107.3Q618Q618-V620 PolarHBondContact O-N 2.78Å
621S22.6Very low26.7Very low101 Ų101133.9 Ų133.971%0.70673%0.731SS**PPolyproline II helixtrans-70.7137.8160-57.90000108.3R619R619-S621 PolarHBondContact O-N 2.9Å
622P24.1Very low27.4Very low106 Ų106128.3 Ų128.369%0.68871%0.71SS**PPolyproline II helixtrans-67.3156.4178-8.222.9000111.1H624P622-H624 PolarHBondContact O-N 3.5Å
623P24.5Very low28.1Very low119 Ų119122.2 Ų122.277%0.77369%0.688SS**PPolyproline II helixtrans-69.3132.3173.21.613.7000109.7S625P623-S625 PolarHBondContact O-N 3.25Å
624H29.6Very low29.1Very low188 Ų188117.7 Ų117.787%0.8768%0.676SS**  trans-55111.6165.4-100.3-80.9000109.4P622P622-H624 PolarHBondContact O-N 3.5Å
625S28Very low30Very low78 Ų78121.3 Ų121.355%0.54568%0.682SS.*  trans-128.3139.5158.764.80000107.8P623 K627 L628P623-S625 PolarHBondContact O-N 3.25Å; S625-K627 PolarHBondContact O-N 3.22Å; S625-L628 PolarHBondContact O-N 2.92Å
626D30.8Very low30.9Very low157 Ų157122.8 Ų122.884%0.8469%0.689SS**THydrogen-bonded Turntrans-6111-172.8-75.9-51.2000115.9
627K31.1Very low32.1Very low169 Ų169121.7 Ų121.774%0.73567%0.669SS**THydrogen-bonded Turntrans-91.4-10.9174.8-79-176.7174.4-178.90114.4S625 K629S625-K627 PolarHBondContact O-N 3.22Å; K627-K629 VanDerWaalsContact C-N 3.25Å; K627-K629 PolarHBondContact O-N 2.98Å
628L29.3Very low33.2Very low107 Ų107120.5 Ų120.556%0.5666%0.655SS**THydrogen-bonded Turntrans-75.3-8-179-136.588.4000114.5S625 G630 L632S625-L628 PolarHBondContact O-N 2.92Å; L628-G630 PolarHBondContact O-N 2.93Å; L628-L632 HydrophobicContact CD2-CD1 4.1Å; L628-L632 HydrophobicContact CD2-CG 4.47Å; L628-L632 WeakPolarHBondContact O-CG 3.39Å
629K31.2Very low34.6Very low171 Ų171123.5 Ų123.574%0.74367%0.669SS**THydrogen-bonded Turntrans-68.3-19.8175.7-86.1-179.9174.8174.20113.5K627K627-K629 VanDerWaalsContact C-N 3.25Å; K627-K629 PolarHBondContact O-N 2.98Å
630G31.3Very low36.2Very low60 Ų60120.7 Ų120.762%0.61967%0.67SS**THydrogen-bonded Turntrans-83.4-30.8-179.100000115.1L628L628-G630 PolarHBondContact O-N 2.93Å
631L35.4Very low38.1Very low159 Ų159117.4 Ų117.483%0.83265%0.65SS**THydrogen-bonded Turntrans-94.5-7.1-176-93.3125000114.3
632L38.5Very low40.6Very low55 Ų55117.2 Ų117.229%0.28865%0.646SS.*SBendtrans-94.93175.4-65.5172.3000113L628 R728L628-L632 HydrophobicContact CD2-CD1 4.1Å; L628-L632 HydrophobicContact CD2-CG 4.47Å; L628-L632 WeakPolarHBondContact O-CG 3.39Å; L632-R728 VanDerWaalsContact CB-NH2 3.35Å; L632-R728 PolarHBondContact O-NH2 3.23Å
633C40.1Very low43.4Very low71 Ų71115.9 Ų115.948%0.4864%0.638SS.*  trans-97.7109.5170.8-71.80000107.2
634G44.5Very low46.3Very low34 Ų34113.3 Ų113.335%0.35162%0.617SS.*  trans-53146.1146.200000107.6Q636G634-Q636 PolarHBondContact O-N 3.01Å
635E42.1Very low49.2Very low184 Ų184107.3 Ų107.386%0.8659%0.594SS**  trans-41.7128.2-178.7-67.8-175.5153.800109.9
636Q45.6Very low52.2Low163 Ų163103.6 Ų103.676%0.76257%0.568SS**PPolyproline II helixtrans-61.6135.7171-72.2-147.9-16.200107.3G634 S638G634-Q636 PolarHBondContact O-N 3.01Å; Q636-S638 PolarHBondContact O-N 3.48Å
637P48.6Very low54.9Low48 Ų4899.4 Ų99.431%0.31254%0.543SS..PPolyproline II helixtrans-53.1131.4177.618.4-28.1000108.6E639 H732 N734P637-E639 PolarHBondContact O-N 3.01Å; P637-H732 WeakPolarHBondContact CD-O 3.44Å; P637-N734 HydrophobicContact CG-CB 4.28Å
638S50.1Low57.7Low78 Ų7897 Ų9755%0.54553%0.534SS..PPolyproline II helixtrans-51.3142.5168.854.70000108.6Q636 D640 T641Q636-S638 PolarHBondContact O-N 3.48Å; S638-D640 PolarHBondContact O-N 3.13Å; S638-T641 PolarHBondContact O-N 2.85Å; S638-T641 PolarHBondContact O-OG1 3.42Å
639E53Low60.8Low206 Ų20692.2 Ų92.296%0.96351%0.509SS*.THydrogen-bonded Turntrans-54.3-9.5-178.3-69.2-170.3156.700114P637P637-E639 PolarHBondContact O-N 3.01Å
640D56.8Low63.8Low152 Ų15288.5 Ų88.581%0.81349%0.491SS*.THydrogen-bonded Turntrans-87.22.4175.1-62.6-42.7000116.1S638S638-D640 PolarHBondContact O-N 3.13Å
641T62.3Low66.9Low60 Ų6085.6 Ų85.637%0.36846%0.461SS..SBendtrans-86.7121.9-178-36.90000110.8S638 N734S638-T641 PolarHBondContact O-N 2.85Å; S638-T641 PolarHBondContact O-OG1 3.42Å; T641-N734 PolarHBondContact O-ND2 2.97Å
642P75.8Confident69.8Low97 Ų9778 Ų7863%0.6342%0.422SS*.PPolyproline II helixtrans-62.2143.9-177.624.8-33.2000111.7L644P642-L644 PolarHBondContact O-N 2.73Å
643P81.9Confident72.4Confident78 Ų7875.4 Ų75.451%0.50641%0.408SS..PPolyproline II helixtrans-65.5134-179.826.2-32.9000111N734 Q736P643-N734 WeakPolarHBondContact CA-O 3.33Å; P643-Q736 HydrophobicContact CB-CG 4.27Å
644L87Confident74.7Confident64 Ų6472 Ų7234%0.33539%0.385SS..BIsolated β-bridgetrans-87.7141.6175.9-70.7174.4000110.4P642 Q648 F733 N734 V735 Q736P642-L644 PolarHBondContact O-N 2.73Å; L644-Q648 HydrophobicContact CD2-CB 4.16Å; L644-F733 WeakPolarHBondContact CD1-O 3.31Å; L644-N734 PolarHBondContact N-O 3.08Å; L644-V735 HydrophobicContact CB-CG2 4.03Å; L644-V735 WeakPolarHBondContact O-CA 3.37Å; L644-Q736 PolarHBondContact O-N 3.15Å
645T90Very high76.7Confident63 Ų6371.8 Ų71.839%0.38738%0.376SS..PPolyproline II helixtrans-75.4152.1165.476.90000109.6Q647 Q648T645-Q647 PolarHBondContact O-N 3.06Å; T645-Q647 VanDerWaalsContact O-N 3.13Å; T645-Q647 PolarHBondContact OG1-OE1 2.88Å; T645-Q647 VanDerWaalsContact OG1-OE1 3.06Å; T645-Q648 WeakPolarHBondContact O-CB 3.5Å; T645-Q648 PolarHBondContact O-N 2.84Å; T645-Q648 WeakPolarHBondContact OG1-CG 3.21Å
646P90.3Very high78.7Confident0 Ų069.3 Ų69.30%037%0.366CS..G310 helixtrans-54.3-36-179.2-28.136000114.1Q648 L649 L667 V669 V735 P737 D741P646-Q648 VanDerWaalsContact C-N 3.25Å; P646-Q648 PolarHBondContact O-N 2.8Å; P646-L649 PolarHBondContact O-N 3.29Å; P646-L667 WeakPolarHBondContact CB-O 2.99Å; P646-L667 VanDerWaalsContact CG-O 3.32Å; P646-L667 WeakPolarHBondContact CG-O 3.46Å; P646-V669 HydrophobicContact CB-CG2 4.03Å; P646-V669 WeakPolarHBondContact O-CA 3.41Å; P646-V735 HydrophobicContact CB-CG1 4.12Å; P646-V735 HydrophobicContact CG-CG1 3.82Å; P646-P737 HydrophobicContact CG-CB 3.88Å; P646-D741 HydrophobicContact CG-CB 4.01Å
647Q88.6Confident80.8Confident68 Ų6861.7 Ų61.732%0.31833%0.33SS..G310 helixtrans-68.2-23-179.2-56.279.66.500113.2T645 L649 D741T645-Q647 PolarHBondContact O-N 3.06Å; T645-Q647 VanDerWaalsContact O-N 3.13Å; T645-Q647 PolarHBondContact OG1-OE1 2.88Å; T645-Q647 VanDerWaalsContact OG1-OE1 3.06Å; Q647-L649 VanDerWaalsContact C-N 3.35Å; Q647-D741 PolarHBondContact NE2-OD1 3.44Å
648Q89.8Confident82.8Confident118 Ų11860.9 Ų60.955%0.55132%0.322SS*.G310 helixtrans-78.2-22.4177.2-68.4173.8-38.200112.2L644 T645 P646 R650L644-Q648 HydrophobicContact CD2-CB 4.16Å; T645-Q648 WeakPolarHBondContact O-CB 3.5Å; T645-Q648 PolarHBondContact O-N 2.84Å; T645-Q648 WeakPolarHBondContact OG1-CG 3.21Å; P646-Q648 VanDerWaalsContact C-N 3.25Å; P646-Q648 PolarHBondContact O-N 2.8Å; Q648-R650 PolarHBondContact O-N 3.37Å
649L93.6Very high84.7Confident7 Ų759 Ų594%0.03732%0.316CS..  trans-82.5113.5175.1179.762000109.6P646 Q647 V651 V669 D670 V729 F733 V735P646-L649 PolarHBondContact O-N 3.29Å; Q647-L649 VanDerWaalsContact C-N 3.35Å; L649-V651 HydrophobicContact CD1-CG1 3.81Å; L649-V651 HydrophobicContact CD2-CG1 4.2Å; L649-V651 HydrophobicContact CG-CG1 3.8Å; L649-V669 HydrophobicContact CB-CG1 4.15Å; L649-V669 HydrophobicContact CD2-CG1 4.06Å; L649-V669 HydrophobicContact CG-CG1 3.96Å; L649-V669 WeakPolarHBondContact O-CG1 2.92Å; L649-D670 PolarHBondContact O-N 3.2Å; L649-V729 HydrophobicContact CD2-CG1 4.14Å; L649-F733 HydrophobicContact CD1-CB 4.21Å; L649-F733 HydrophobicContact CD1-CD1 4.21Å; L649-F733 HydrophobicContact CD1-CD2 3.88Å; L649-F733 HydrophobicContact CD1-CE2 4.38Å; L649-F733 HydrophobicContact CD1-CG 3.82Å; L649-F733 HydrophobicContact CD2-CB 4.21Å; L649-F733 HydrophobicContact CD2-CD2 3.92Å; L649-F733 HydrophobicContact CD2-CG 4.27Å; L649-V735 HydrophobicContact CB-CG2 4.09Å; L649-V735 HydrophobicContact CD2-CG2 3.82Å; L649-V735 HydrophobicContact CG-CG2 4.5Å
650R95.1Very high86.6Confident93 Ų9349.3 Ų49.335%0.35127%0.27SS..EExtended strand (participates in β ladder)trans-109.9118.6175-52.6-176.171.6-151.9-0.9109.9Q648 D670 E690 R692 V693Q648-R650 PolarHBondContact O-N 3.37Å; R650-D670 WeakPolarHBondContact CA-O 3.41Å; R650-D670 HydrophobicContact CB-CB 4.5Å; R650-D670 HydrophobicContact CG-CB 4.14Å; R650-D670 IonicContact CZ-OD2 2.65Å; R650-D670 IonicContact NE-OD2 3.89Å; R650-D670 PolarHBondContact NE-OD2 3.32Å; R650-D670 IonicContact NH2-OD2 3.09Å; R650-D670 PolarHBondContact NH2-OD2 3.38Å; R650-E690 IonicContact CZ-OE2 3.48Å; R650-E690 PolarHBondContact NH1-O 2.88Å; R650-E690 IonicContact NH2-OE2 3.96Å; R650-E690 PolarHBondContact NH2-OE2 3.15Å; R650-R692 HydrophobicContact CB-CG 4.01Å; R650-R692 WeakPolarHBondContact O-CA 3.22Å; R650-V693 PolarHBondContact O-N 3.08Å
651V96.3Very high88.4Confident0 Ų042 Ų420%023%0.231CC..EExtended strand (participates in β ladder)trans-126.3158.7-176.3-57.40000112.3L649 L664 V669 D670 V671 V672 R692 V693 L695L649-V651 HydrophobicContact CD1-CG1 3.81Å; L649-V651 HydrophobicContact CD2-CG1 4.2Å; L649-V651 HydrophobicContact CG-CG1 3.8Å; V651-L664 HydrophobicContact CG2-CD1 4.36Å; V651-V669 HydrophobicContact CG2-CG1 4.08Å; V651-D670 PolarHBondContact N-O 2.89Å; V651-V671 HydrophobicContact CG2-CB 4.05Å; V651-V671 HydrophobicContact CG2-CG1 3.97Å; V651-V671 HydrophobicContact CG2-CG2 3.62Å; V651-V671 WeakPolarHBondContact O-CA 3.36Å; V651-V672 PolarHBondContact O-N 3.42Å; V651-R692 PolarHBondContact O-NH1 3.03Å; V651-V693 CarbonylContact C-O 3.59Å; V651-V693 WeakPolarHBondContact CA-O 3.32Å; V651-V693 WeakPolarHBondContact CB-O 3.38Å; V651-V693 HydrophobicContact CG1-CB 4.27Å; V651-L695 HydrophobicContact CB-CD1 4.03Å; V651-L695 HydrophobicContact CB-CG 4.1Å; V651-L695 HydrophobicContact CG1-CD1 4.19Å; V651-L695 HydrophobicContact CG1-CG 4.29Å; V651-L695 HydrophobicContact CG2-CD1 3.96Å
652V95.6Very high89.9Confident0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-121.7121.3166.7600000109.2V672 L674 A683 L686 R692 V693 I694 L695V652-V672 CarbonylContact C-O 3.5Å; V652-V672 VanDerWaalsContact CA-O 3.26Å; V652-V672 WeakPolarHBondContact CA-O 3.49Å; V652-V672 HydrophobicContact CG2-CB 4.33Å; V652-V672 HydrophobicContact CG2-CG1 4.29Å; V652-L674 HydrophobicContact CG2-CD1 3.37Å; V652-A683 HydrophobicContact CG1-CB 4.16Å; V652-A683 HydrophobicContact CG2-CB 4.05Å; V652-L686 HydrophobicContact CG2-CD1 4.01Å; V652-R692 HydrophobicContact CG1-CB 4.41Å; V652-V693 PolarHBondContact N-O 3.02Å; V652-I694 HydrophobicContact CG1-CB 4.2Å; V652-I694 HydrophobicContact CG1-CG1 3.76Å; V652-I694 HydrophobicContact CG1-CG2 4.49Å; V652-L695 PolarHBondContact O-N 3.35Å
653C94Very high90.7Very high0 Ų044.4 Ų44.40%022%0.221CC..EExtended strand (participates in β ladder)trans-92.9135.4175-68.70000110.1L657 V671 V672 M673 L674C653-L657 HydrophobicContact CB-CB 4.16Å; C653-V671 HydrophobicContact CB-CG1 4.41Å; C653-V672 PolarHBondContact N-O 2.87Å; C653-M673 HydrophobicContact CB-CG 4.31Å; C653-L674 PolarHBondContact O-N 3.27Å
654D88.6Confident91.3Very high0 Ų040.7 Ų40.70%020%0.197CC..  trans-63.2169.7166.77415.6000112.3M656 L657 L695 T696 C697D654-M656 PolarHBondContact O-N 3.44Å; D654-M656 WeakPolarHBondContact OD1-CA 3.47Å; D654-M656 WeakPolarHBondContact OD1-CB 3.42Å; D654-M656 PolarHBondContact OD1-N 2.91Å; D654-L657 PolarHBondContact O-N 2.82Å; D654-L657 VanDerWaalsContact O-N 3.1Å; D654-L657 WeakPolarHBondContact OD1-CB 3.49Å; D654-L657 VanDerWaalsContact OD1-CG 3.3Å; D654-L657 WeakPolarHBondContact OD1-CG 3.2Å; D654-L657 PolarHBondContact OD1-N 2.84Å; D654-L695 PolarHBondContact N-O 3.09Å; D654-L695 VanDerWaalsContact N-O 3.09Å; D654-T696 WeakPolarHBondContact OD2-CA 3.31Å; D654-T696 VanDerWaalsContact OD2-CB 3.28Å; D654-T696 WeakPolarHBondContact OD2-CB 3.5Å; D654-T696 PolarHBondContact OD2-OG1 3.1Å; D654-C697 PolarHBondContact OD2-N 3.37Å; D654-C697 VanDerWaalsContact OD2-N 3.07Å
655N86.5Confident91.7Very high28 Ų2838.5 Ų38.515%0.1519%0.185CC..G310 helixtrans-63-20.9-178.959.61.3000113.8H680N655-H680 PolarHBondContact OD1-CE1 3.04Å; N655-H680 VanDerWaalsContact OD1-CE1 3.24Å
656M83.1Confident91.8Very high132 Ų13236.2 Ų36.265%0.6517%0.171SC*.G310 helixtrans-81.6-20.1177.8-60.3-59.8-64.300112.2D654D654-M656 PolarHBondContact O-N 3.44Å; D654-M656 WeakPolarHBondContact OD1-CA 3.47Å; D654-M656 WeakPolarHBondContact OD1-CB 3.42Å; D654-M656 PolarHBondContact OD1-N 2.91Å
657L90.5Very high91.9Very high4 Ų437.7 Ų37.72%0.02118%0.179CC..G310 helixtrans-109.122.9-174.8-64.7177.4000113.7C653 D654 G659 L660 G661 L695 C697 L716C653-L657 HydrophobicContact CB-CB 4.16Å; D654-L657 PolarHBondContact O-N 2.82Å; D654-L657 VanDerWaalsContact O-N 3.1Å; D654-L657 WeakPolarHBondContact OD1-CB 3.49Å; D654-L657 VanDerWaalsContact OD1-CG 3.3Å; D654-L657 WeakPolarHBondContact OD1-CG 3.2Å; D654-L657 PolarHBondContact OD1-N 2.84Å; L657-G659 PolarHBondContact O-N 3.06Å; L657-L660 HydrophobicContact CB-CB 4.37Å; L657-L660 HydrophobicContact CB-CD2 4.39Å; L657-L660 HydrophobicContact CD1-CD2 4.34Å; L657-L660 HydrophobicContact CD2-CD2 4.43Å; L657-L660 WeakPolarHBondContact O-CB 3.26Å; L657-L660 PolarHBondContact O-N 2.97Å; L657-G661 PolarHBondContact O-N 3.5Å; L657-L695 HydrophobicContact CD1-CB 4.29Å; L657-C697 HydrophobicContact CD1-CB 4.34Å; L657-C697 HydrophobicContact CD2-CB 4.32Å; L657-C697 HydrophobicContact CG-CB 4.47Å; L657-L716 HydrophobicContact CD1-CB 4.45Å; L657-L716 HydrophobicContact CD1-CD1 4.09Å
658Q89.9Confident92.1Very high31 Ų3134.4 Ų34.415%0.14516%0.164CC..Hα-helixtrans-59.4-34.6175.8-65.8-175.6-0.400113G661 R662 M673 L674Q658-G661 PolarHBondContact O-N 3.24Å; Q658-R662 WeakPolarHBondContact O-CG 3.45Å; Q658-R662 PolarHBondContact O-N 2.99Å; Q658-M673 HydrophobicContact CB-SD 4.07Å; Q658-M673 HydrophobicContact CG-CB 4.43Å; Q658-M673 HydrophobicContact CG-SD 4.46Å; Q658-L674 PolarHBondContact NE2-O 3.15Å
659G89.2Confident92.4Very high39 Ų3928.8 Ų28.840%0.40214%0.137SC..Hα-helixtrans-62.4-43.7175.800000112.5L657 Y663L657-G659 PolarHBondContact O-N 3.06Å; G659-Y663 PolarHBondContact O-N 3.17Å
660L94.2Very high92.4Very high1 Ų129.2 Ų29.21%0.00514%0.139CC..Hα-helixtrans-62.5-45.3171.6168.264.1000111.1L657 R662 Y663 L664 L695 L716 Q725 A726 V729L657-L660 HydrophobicContact CB-CB 4.37Å; L657-L660 HydrophobicContact CB-CD2 4.39Å; L657-L660 HydrophobicContact CD1-CD2 4.34Å; L657-L660 HydrophobicContact CD2-CD2 4.43Å; L657-L660 WeakPolarHBondContact O-CB 3.26Å; L657-L660 PolarHBondContact O-N 2.97Å; L660-R662 VanDerWaalsContact C-N 3.32Å; L660-R662 PolarHBondContact O-N 2.74Å; L660-Y663 WeakPolarHBondContact O-CA 3.45Å; L660-Y663 WeakPolarHBondContact O-CB 3.32Å; L660-Y663 PolarHBondContact O-N 3.24Å; L660-L664 HydrophobicContact CD1-CD1 3.84Å; L660-L664 HydrophobicContact CD1-CD2 4.48Å; L660-L664 HydrophobicContact CD1-CG 3.84Å; L660-L664 HydrophobicContact CD2-CD1 4.45Å; L660-L664 HydrophobicContact CG-CD1 3.88Å; L660-L664 HydrophobicContact CG-CG 4.3Å; L660-L664 PolarHBondContact O-N 2.84Å; L660-L695 HydrophobicContact CD2-CD1 4.11Å; L660-L716 HydrophobicContact CD2-CD1 3.19Å; L660-Q725 HydrophobicContact CD1-CB 3.81Å; L660-Q725 HydrophobicContact CD2-CB 4.18Å; L660-Q725 HydrophobicContact CG-CB 4.43Å; L660-A726 HydrophobicContact CD1-CB 3.74Å; L660-A726 VanDerWaalsContact CD1-N 3.34Å; L660-V729 HydrophobicContact CD2-CG2 4.36Å
661G94.3Very high92.5Very high0 Ų024.8 Ų24.80%012%0.123CC..Hα-helixtrans-58-43.2-17900000112.8L657 Q658 Y663 L664 R665L657-G661 PolarHBondContact O-N 3.5Å; Q658-G661 PolarHBondContact O-N 3.24Å; G661-Y663 VanDerWaalsContact C-N 3.33Å; G661-Y663 PolarHBondContact O-N 3.33Å; G661-L664 PolarHBondContact O-N 3.46Å; G661-R665 WeakPolarHBondContact O-CG 3.3Å; G661-R665 PolarHBondContact O-N 2.82Å
662R93.1Very high92.4Very high117 Ų11726.5 Ų26.544%0.44213%0.133SC..Hα-helixtrans-60.8-41.3173.1-68.2178.9-170.2130.29.2112.3Q658 L660 R665 C666 M673Q658-R662 WeakPolarHBondContact O-CG 3.45Å; Q658-R662 PolarHBondContact O-N 2.99Å; L660-R662 VanDerWaalsContact C-N 3.32Å; L660-R662 PolarHBondContact O-N 2.74Å; R662-R665 PolarHBondContact O-N 2.88Å; R662-C666 PolarHBondContact O-N 3.11Å; R662-C666 PolarHBondContact O-SG 3.14Å; R662-M673 HydrophobicContact CG-CE 3.93Å; R662-M673 HydrophobicContact CG-SD 4.16Å
663Y93.2Very high92.4Very high89 Ų8928.1 Ų28.135%0.34914%0.141SC..Hα-helixtrans-67-40.4179.7-151.5-84.8000112.2G659 L660 G661 C666 L667 R723 A726G659-Y663 PolarHBondContact O-N 3.17Å; L660-Y663 WeakPolarHBondContact O-CA 3.45Å; L660-Y663 WeakPolarHBondContact O-CB 3.32Å; L660-Y663 PolarHBondContact O-N 3.24Å; G661-Y663 VanDerWaalsContact C-N 3.33Å; G661-Y663 PolarHBondContact O-N 3.33Å; Y663-C666 VanDerWaalsContact O-CB 3.31Å; Y663-C666 WeakPolarHBondContact O-CB 3.32Å; Y663-C666 PolarHBondContact O-N 2.85Å; Y663-L667 HydrophobicContact CD1-CD1 4.05Å; Y663-L667 HydrophobicContact CE1-CD1 4.12Å; Y663-L667 WeakPolarHBondContact O-CG 3.38Å; Y663-L667 PolarHBondContact O-N 3.35Å; Y663-R723 HydrophobicContact CE1-CB 4.39Å; Y663-R723 HydrophobicContact CE1-CG 4.24Å; Y663-R723 HydrophobicContact CE2-CB 4.15Å; Y663-A726 HydrophobicContact CD1-CB 3.58Å; Y663-A726 HydrophobicContact CE1-CB 4.24Å; Y663-A726 HydrophobicContact CG-CB 4.36Å
664L94.9Very high92.2Very high0 Ų028.2 Ų28.20%014%0.142CC..Hα-helixtrans-66.4-38.4175-72.7174.3000111.9V651 L660 G661 C666 L667 G668 V669 V671 L695 A726 V729 L730V651-L664 HydrophobicContact CG2-CD1 4.36Å; L660-L664 HydrophobicContact CD1-CD1 3.84Å; L660-L664 HydrophobicContact CD1-CD2 4.48Å; L660-L664 HydrophobicContact CD1-CG 3.84Å; L660-L664 HydrophobicContact CD2-CD1 4.45Å; L660-L664 HydrophobicContact CG-CD1 3.88Å; L660-L664 HydrophobicContact CG-CG 4.3Å; L660-L664 PolarHBondContact O-N 2.84Å; G661-L664 PolarHBondContact O-N 3.46Å; L664-C666 VanDerWaalsContact C-N 3.33Å; L664-C666 PolarHBondContact O-N 3.17Å; L664-L667 CarbonylContact O-C 3.41Å; L664-L667 WeakPolarHBondContact O-CA 3.28Å; L664-L667 PolarHBondContact O-N 2.7Å; L664-G668 PolarHBondContact O-N 3.43Å; L664-V669 HydrophobicContact CB-CB 4.06Å; L664-V669 HydrophobicContact CB-CG1 4.44Å; L664-V669 HydrophobicContact CB-CG2 4.33Å; L664-V669 HydrophobicContact CD2-CG2 4.3Å; L664-V669 WeakPolarHBondContact O-CB 3.38Å; L664-V669 PolarHBondContact O-N 3.04Å; L664-V669 VanDerWaalsContact O-N 3.14Å; L664-V671 HydrophobicContact CB-CG2 3.65Å; L664-L695 HydrophobicContact CD1-CD1 3.61Å; L664-A726 HydrophobicContact CD2-CB 4.02Å; L664-A726 HydrophobicContact CG-CB 4.44Å; L664-V729 HydrophobicContact CD1-CG1 4.13Å; L664-V729 HydrophobicContact CD2-CB 4.35Å; L664-V729 HydrophobicContact CD2-CG1 4.17Å; L664-L730 HydrophobicContact CD2-CD2 4.36Å; L664-L730 HydrophobicContact CD2-CG 4.43Å
665R95.1Very high92Very high18 Ų1833.9 Ų33.97%0.06817%0.168CC..Hα-helixtrans-60.5-40.3171.7-70.5-179.5-179.7-179.7-3.5112.2G661 R662 L667 G668 V671 R745 C746 Q747 A748 N750G661-R665 WeakPolarHBondContact O-CG 3.3Å; G661-R665 PolarHBondContact O-N 2.82Å; R662-R665 PolarHBondContact O-N 2.88Å; R665-L667 PolarHBondContact O-N 3.5Å; R665-L667 VanDerWaalsContact O-N 3.11Å; R665-G668 PolarHBondContact O-N 2.61Å; R665-V671 HydrophobicContact CG-CB 3.78Å; R665-V671 HydrophobicContact CG-CG2 3.89Å; R665-V671 VanDerWaalsContact CZ-O 3.25Å; R665-V671 PolarHBondContact NE-O 2.97Å; R665-V671 PolarHBondContact NH2-O 3.25Å; R665-R745 WeakPolarHBondContact O-CB 3.26Å; R665-C746 WeakPolarHBondContact CD-O 3.29Å; R665-Q747 PolarHBondContact NH1-O 2.83Å; R665-A748 PolarHBondContact NH1-O 3.39Å; R665-N750 WeakPolarHBondContact CG-OD1 3.29Å; R665-N750 PolarHBondContact NE-OD1 2.94Å
666C92.3Very high91.6Very high16 Ų1637.8 Ų37.811%0.10819%0.189CC..Hα-helixtrans-57.4-24.8173-64.30000113.2R662 Y663 L664 I742 F743 Q747R662-C666 PolarHBondContact O-N 3.11Å; R662-C666 PolarHBondContact O-SG 3.14Å; Y663-C666 VanDerWaalsContact O-CB 3.31Å; Y663-C666 WeakPolarHBondContact O-CB 3.32Å; Y663-C666 PolarHBondContact O-N 2.85Å; L664-C666 VanDerWaalsContact C-N 3.33Å; L664-C666 PolarHBondContact O-N 3.17Å; C666-I742 CarbonylContact O-C 3.4Å; C666-I742 WeakPolarHBondContact O-CA 3.5Å; C666-F743 HydrophobicContact CB-CD1 4.42Å; C666-F743 HydrophobicContact CB-CE1 4.28Å; C666-F743 PolarHBondContact O-N 3.17Å; C666-Q747 WeakPolarHBondContact SG-CG 3.32Å; C666-Q747 PolarHBondContact SG-NE2 3.33Å
667L92.7Very high91Very high30 Ų3037 Ų3716%0.15719%0.192CC..THydrogen-bonded Turntrans-99.610.6-178.1-59.3174.8000112P646 Y663 L664 R665 L730 D741P646-L667 WeakPolarHBondContact CB-O 2.99Å; P646-L667 VanDerWaalsContact CG-O 3.32Å; P646-L667 WeakPolarHBondContact CG-O 3.46Å; Y663-L667 HydrophobicContact CD1-CD1 4.05Å; Y663-L667 HydrophobicContact CE1-CD1 4.12Å; Y663-L667 WeakPolarHBondContact O-CG 3.38Å; Y663-L667 PolarHBondContact O-N 3.35Å; L664-L667 CarbonylContact O-C 3.41Å; L664-L667 WeakPolarHBondContact O-CA 3.28Å; L664-L667 PolarHBondContact O-N 2.7Å; R665-L667 PolarHBondContact O-N 3.5Å; R665-L667 VanDerWaalsContact O-N 3.11Å; L667-L730 HydrophobicContact CD1-CD1 3.72Å; L667-D741 CarbonylContact C-O 3.54Å
668G92Very high90.4Very high0 Ų039.6 Ų39.60%021%0.206CC..THydrogen-bonded Turntrans89.43174.600000115.7L664 R665 D741 S744 R745L664-G668 PolarHBondContact O-N 3.43Å; R665-G668 PolarHBondContact O-N 2.61Å; G668-D741 PolarHBondContact N-O 2.97Å; G668-S744 WeakPolarHBondContact CA-OG 3.28Å; G668-R745 WeakPolarHBondContact O-CD 3.25Å; G668-R745 PolarHBondContact O-NE 2.84Å
669V95.5Very high89.9Confident0 Ų042.6 Ų42.60%022%0.223CC..  trans-74.4136.1179.2-175.70000111P646 L649 V651 L664 V671 L730 R745P646-V669 HydrophobicContact CB-CG2 4.03Å; P646-V669 WeakPolarHBondContact O-CA 3.41Å; L649-V669 HydrophobicContact CB-CG1 4.15Å; L649-V669 HydrophobicContact CD2-CG1 4.06Å; L649-V669 HydrophobicContact CG-CG1 3.96Å; L649-V669 WeakPolarHBondContact O-CG1 2.92Å; V651-V669 HydrophobicContact CG2-CG1 4.08Å; L664-V669 HydrophobicContact CB-CB 4.06Å; L664-V669 HydrophobicContact CB-CG1 4.44Å; L664-V669 HydrophobicContact CB-CG2 4.33Å; L664-V669 HydrophobicContact CD2-CG2 4.3Å; L664-V669 WeakPolarHBondContact O-CB 3.38Å; L664-V669 PolarHBondContact O-N 3.04Å; L664-V669 VanDerWaalsContact O-N 3.14Å; V669-V671 HydrophobicContact CB-CG2 4.13Å; V669-V671 HydrophobicContact CG1-CG2 3.92Å; V669-V671 PolarHBondContact O-N 2.76Å; V669-L730 HydrophobicContact CG2-CD2 4.3Å; V669-R745 VanDerWaalsContact O-CD 3.3Å; V669-R745 WeakPolarHBondContact O-CD 3.39Å
670D94.8Very high89.5Confident15 Ų1543.2 Ų43.28%0.0822%0.215CC..EExtended strand (participates in β ladder)trans-76.5105.5173174.12.7000109.4L649 R650 V651 R692 N750L649-D670 PolarHBondContact O-N 3.2Å; R650-D670 WeakPolarHBondContact CA-O 3.41Å; R650-D670 HydrophobicContact CB-CB 4.5Å; R650-D670 HydrophobicContact CG-CB 4.14Å; R650-D670 IonicContact CZ-OD2 2.65Å; R650-D670 IonicContact NE-OD2 3.89Å; R650-D670 PolarHBondContact NE-OD2 3.32Å; R650-D670 IonicContact NH2-OD2 3.09Å; R650-D670 PolarHBondContact NH2-OD2 3.38Å; V651-D670 PolarHBondContact N-O 2.89Å; D670-R692 VanDerWaalsContact CG-NH1 3.32Å; D670-R692 PolarHBondContact O-NH1 2.95Å; D670-R692 IonicContact OD1-CZ 3.52Å; D670-R692 IonicContact OD1-NH1 3.01Å; D670-R692 PolarHBondContact OD1-NH1 2.82Å; D670-R692 IonicContact OD1-NH2 3.33Å; D670-R692 PolarHBondContact OD1-NH2 2.9Å; D670-R692 IonicContact OD2-CZ 2.74Å; D670-R692 IonicContact OD2-NH1 2.7Å; D670-R692 IonicContact OD2-NH2 2.64Å; D670-R692 PolarHBondContact OD2-NH2 3.46Å; D670-R692 VanDerWaalsContact OD2-NH2 3.1Å; D670-N750 PolarHBondContact OD1-ND2 3.47Å
671V96.4Very high88.9Confident0 Ų050.5 Ų50.50%024%0.242CC..EExtended strand (participates in β ladder)trans-119.6123.8-176.3-175.90000110.9V651 C653 L664 R665 V669 M673 N750V651-V671 HydrophobicContact CG2-CB 4.05Å; V651-V671 HydrophobicContact CG2-CG1 3.97Å; V651-V671 HydrophobicContact CG2-CG2 3.62Å; V651-V671 WeakPolarHBondContact O-CA 3.36Å; C653-V671 HydrophobicContact CB-CG1 4.41Å; L664-V671 HydrophobicContact CB-CG2 3.65Å; R665-V671 HydrophobicContact CG-CB 3.78Å; R665-V671 HydrophobicContact CG-CG2 3.89Å; R665-V671 VanDerWaalsContact CZ-O 3.25Å; R665-V671 PolarHBondContact NE-O 2.97Å; R665-V671 PolarHBondContact NH2-O 3.25Å; V669-V671 HydrophobicContact CB-CG2 4.13Å; V669-V671 HydrophobicContact CG1-CG2 3.92Å; V669-V671 PolarHBondContact O-N 2.76Å; V671-M673 HydrophobicContact CG1-CG 3.89Å; V671-N750 PolarHBondContact N-ND2 3.07Å; V671-N750 PolarHBondContact N-OD1 3.39Å; V671-N750 VanDerWaalsContact N-OD1 3.15Å; V671-N750 VanDerWaalsContact O-CG 3.24Å; V671-N750 PolarHBondContact O-ND2 3.27Å; V671-N750 PolarHBondContact O-OD1 2.99Å
672V95.1Very high88.6Confident37 Ų3753.3 Ų53.322%0.22426%0.26CS..EExtended strand (participates in β ladder)trans-93134160.61730000108.6V651 V652 C653 L686V651-V672 PolarHBondContact O-N 3.42Å; V652-V672 CarbonylContact C-O 3.5Å; V652-V672 VanDerWaalsContact CA-O 3.26Å; V652-V672 WeakPolarHBondContact CA-O 3.49Å; V652-V672 HydrophobicContact CG2-CB 4.33Å; V652-V672 HydrophobicContact CG2-CG1 4.29Å; C653-V672 PolarHBondContact N-O 2.87Å; V672-L686 HydrophobicContact CG1-CD1 3.82Å
673M94.2Very high88.4Confident33 Ų3347.8 Ų47.816%0.16324%0.239CC..EExtended strand (participates in β ladder)trans-114.7129.9177.3-63.5-174.1-7900108.3C653 Q658 R662 V671C653-M673 HydrophobicContact CB-CG 4.31Å; Q658-M673 HydrophobicContact CB-SD 4.07Å; Q658-M673 HydrophobicContact CG-CB 4.43Å; Q658-M673 HydrophobicContact CG-SD 4.46Å; R662-M673 HydrophobicContact CG-CE 3.93Å; R662-M673 HydrophobicContact CG-SD 4.16Å; V671-M673 HydrophobicContact CG1-CG 3.89Å
674L90.4Very high88.1Confident3 Ų343.6 Ų43.62%0.01622%0.223CC..  trans-70.1141.8172.5-89.165.4000110.4V652 C653 Q658 D678 V682 A683 L686V652-L674 HydrophobicContact CG2-CD1 3.37Å; C653-L674 PolarHBondContact O-N 3.27Å; Q658-L674 PolarHBondContact NE2-O 3.15Å; L674-D678 HydrophobicContact CB-CB 4.19Å; L674-D678 HydrophobicContact CD2-CB 4.23Å; L674-D678 HydrophobicContact CG-CB 4.11Å; L674-V682 HydrophobicContact CD2-CB 4.33Å; L674-A683 HydrophobicContact CD1-CB 3.93Å; L674-A683 HydrophobicContact CD2-CB 3.98Å; L674-L686 HydrophobicContact CD1-CD1 4.31Å
675E85.3Confident87.8Confident118 Ų11849.9 Ų49.955%0.55125%0.25SS*.  trans-73.7160.7171.5-68.2-64.6163.400111T677 D678E675-T677 PolarHBondContact O-N 3.39Å; E675-D678 WeakPolarHBondContact CB-OD2 3.28Å; E675-D678 PolarHBondContact N-OD2 2.62Å; E675-D678 PolarHBondContact O-N 3Å
676N77.4Confident87.6Confident111 Ų11150.7 Ų50.759%0.59426%0.256SS*.THydrogen-bonded Turntrans-62.4-19.9-178.1-70.4-33.1000113.6
677T71.5Confident87.5Confident115 Ų11550 Ų5071%0.70625%0.251SS*.THydrogen-bonded Turntrans-91.9-11.7179.148.30000113.7E675E675-T677 PolarHBondContact O-N 3.39Å
678D77Confident87.2Confident59 Ų5954.1 Ų54.132%0.31627%0.27SS..SBendtrans-78.5141.9-173.8-64.1-21000111.5L674 E675L674-D678 HydrophobicContact CB-CB 4.19Å; L674-D678 HydrophobicContact CD2-CB 4.23Å; L674-D678 HydrophobicContact CG-CB 4.11Å; E675-D678 WeakPolarHBondContact CB-OD2 3.28Å; E675-D678 PolarHBondContact N-OD2 2.62Å; E675-D678 PolarHBondContact O-N 3Å
679D79.7Confident87Confident93 Ų9359.4 Ų59.450%0.49730%0.298SS..  trans-71.9136.8170.9-169.7-48.9000109.5R681 V682D679-R681 PolarHBondContact O-N 3.11Å; D679-R681 WeakPolarHBondContact OD1-CB 3.37Å; D679-R681 VanDerWaalsContact OD1-CG 3.28Å; D679-R681 WeakPolarHBondContact OD1-CG 3.31Å; D679-R681 PolarHBondContact OD1-N 3.42Å; D679-V682 VanDerWaalsContact O-CB 3.25Å; D679-V682 WeakPolarHBondContact O-CB 3.39Å; D679-V682 VanDerWaalsContact O-CG2 3.28Å; D679-V682 WeakPolarHBondContact O-CG2 3.42Å; D679-V682 PolarHBondContact O-N 3.47Å
680H80.7Confident86.8Confident53 Ų5362.8 Ų62.825%0.24531%0.314CS..THydrogen-bonded Turntrans-53.3-28.2176.2-64.5-70.6000113.2N655 V682 A683 P700 L704N655-H680 PolarHBondContact OD1-CE1 3.04Å; N655-H680 VanDerWaalsContact OD1-CE1 3.24Å; H680-V682 PolarHBondContact O-N 3.39Å; H680-A683 VanDerWaalsContact O-CB 3.29Å; H680-A683 WeakPolarHBondContact O-CB 3.45Å; H680-A683 PolarHBondContact O-N 3.26Å; H680-P700 HydrophobicContact CB-CB 4.45Å; H680-L704 HydrophobicContact CB-CD1 4.33Å; H680-L704 HydrophobicContact CB-CD2 4.44Å; H680-L704 VanDerWaalsContact O-CD2 3.26Å; H680-L704 WeakPolarHBondContact O-CD2 3.5Å
681R81.8Confident86.4Confident153 Ų15363.8 Ų63.858%0.57733%0.328SS*.Hα-helixtrans-57.6-25.8173.9-67.1172.1-172.7-111.56.6113.3D679 A683 A684 K685D679-R681 PolarHBondContact O-N 3.11Å; D679-R681 WeakPolarHBondContact OD1-CB 3.37Å; D679-R681 VanDerWaalsContact OD1-CG 3.28Å; D679-R681 WeakPolarHBondContact OD1-CG 3.31Å; D679-R681 PolarHBondContact OD1-N 3.42Å; R681-A683 PolarHBondContact O-N 2.86Å; R681-A684 WeakPolarHBondContact O-CB 3.25Å; R681-A684 PolarHBondContact O-N 3.46Å; R681-K685 PolarHBondContact O-N 3.33Å; R681-K685 VanDerWaalsContact O-N 3.13Å
682V87.3Confident86.3Confident60 Ų6064.2 Ų64.236%0.36433%0.329SS..Hα-helixtrans-61.3-36.2174179.30000110.8L674 D679 H680 A684 K685 L686L674-V682 HydrophobicContact CD2-CB 4.33Å; D679-V682 VanDerWaalsContact O-CB 3.25Å; D679-V682 WeakPolarHBondContact O-CB 3.39Å; D679-V682 VanDerWaalsContact O-CG2 3.28Å; D679-V682 WeakPolarHBondContact O-CG2 3.42Å; D679-V682 PolarHBondContact O-N 3.47Å; H680-V682 PolarHBondContact O-N 3.39Å; V682-A684 PolarHBondContact O-N 3.3Å; V682-K685 PolarHBondContact O-N 3Å; V682-L686 HydrophobicContact CG1-CD1 4.01Å; V682-L686 HydrophobicContact CG1-CG 4.41Å; V682-L686 WeakPolarHBondContact O-CG 3.42Å; V682-L686 PolarHBondContact O-N 3.11Å
683A88.9Confident86.2Confident0 Ų063.2 Ų63.20%032%0.323CS..Hα-helixtrans-65.2-38.2176.100000112.2V652 L674 H680 R681 A687 I694V652-A683 HydrophobicContact CG1-CB 4.16Å; V652-A683 HydrophobicContact CG2-CB 4.05Å; L674-A683 HydrophobicContact CD1-CB 3.93Å; L674-A683 HydrophobicContact CD2-CB 3.98Å; H680-A683 VanDerWaalsContact O-CB 3.29Å; H680-A683 WeakPolarHBondContact O-CB 3.45Å; H680-A683 PolarHBondContact O-N 3.26Å; R681-A683 PolarHBondContact O-N 2.86Å; A683-A687 VanDerWaalsContact O-CB 3.26Å; A683-A687 WeakPolarHBondContact O-CB 3.44Å; A683-A687 PolarHBondContact O-N 3.37Å; A683-I694 HydrophobicContact CB-CG2 4.46Å
684A87.9Confident86.2Confident2 Ų261.7 Ų61.72%0.01732%0.315CS..Hα-helixtrans-63.9-43.3174.900000111.7R681 V682 A687 Q688 L704 Q707R681-A684 WeakPolarHBondContact O-CB 3.25Å; R681-A684 PolarHBondContact O-N 3.46Å; V682-A684 PolarHBondContact O-N 3.3Å; A684-A687 PolarHBondContact O-N 2.87Å; A684-Q688 VanDerWaalsContact O-CG 3.31Å; A684-Q688 WeakPolarHBondContact O-CG 3.28Å; A684-Q688 PolarHBondContact O-N 2.88Å; A684-L704 HydrophobicContact CB-CD2 3.98Å; A684-Q707 HydrophobicContact CB-CB 4.04Å
685K88.6Confident86.4Confident131 Ų13161.5 Ų61.557%0.5732%0.315SS*.Hα-helixtrans-62.1-48.2176.2-173175.6-179.4-175.80112R681 V682 A687 Q688 D689R681-K685 PolarHBondContact O-N 3.33Å; R681-K685 VanDerWaalsContact O-N 3.13Å; V682-K685 PolarHBondContact O-N 3Å; K685-A687 VanDerWaalsContact C-N 3.3Å; K685-A687 PolarHBondContact O-N 2.87Å; K685-Q688 PolarHBondContact O-N 3.26Å; K685-Q688 VanDerWaalsContact O-N 3.17Å; K685-D689 VanDerWaalsContact CE-OD2 3.29Å; K685-D689 WeakPolarHBondContact CE-OD2 3.29Å; K685-D689 WeakPolarHBondContact CG-OD2 3.46Å; K685-D689 WeakPolarHBondContact O-CB 3.43Å; K685-D689 VanDerWaalsContact O-CG 3.31Å; K685-D689 PolarHBondContact O-N 3.3Å
686L89.3Confident86.8Confident36 Ų3655.9 Ų55.919%0.18829%0.288CS..Hα-helixtrans-60.8-38176.4-71.7167.4000112.5V652 V672 L674 V682 Q688 E690V652-L686 HydrophobicContact CG2-CD1 4.01Å; V672-L686 HydrophobicContact CG1-CD1 3.82Å; L674-L686 HydrophobicContact CD1-CD1 4.31Å; V682-L686 HydrophobicContact CG1-CD1 4.01Å; V682-L686 HydrophobicContact CG1-CG 4.41Å; V682-L686 WeakPolarHBondContact O-CG 3.42Å; V682-L686 PolarHBondContact O-N 3.11Å; L686-Q688 VanDerWaalsContact C-N 3.34Å; L686-E690 WeakPolarHBondContact CD2-OE1 3.45Å; L686-E690 WeakPolarHBondContact O-CB 3.36Å; L686-E690 PolarHBondContact O-N 3.43Å
687A91.1Very high87.2Confident1 Ų150.8 Ų50.81%0.00826%0.261CS..Hα-helixtrans-66.6-34.6176.600000113A683 A684 K685 G691 R692 I694 V708 R712A683-A687 VanDerWaalsContact O-CB 3.26Å; A683-A687 WeakPolarHBondContact O-CB 3.44Å; A683-A687 PolarHBondContact O-N 3.37Å; A684-A687 PolarHBondContact O-N 2.87Å; K685-A687 VanDerWaalsContact C-N 3.3Å; K685-A687 PolarHBondContact O-N 2.87Å; A687-G691 PolarHBondContact O-N 2.72Å; A687-R692 WeakPolarHBondContact CA-O 3.25Å; A687-R692 VanDerWaalsContact CB-O 3.28Å; A687-R692 WeakPolarHBondContact CB-O 3.38Å; A687-R692 PolarHBondContact O-N 3.38Å; A687-I694 HydrophobicContact CB-CD1 3.85Å; A687-I694 HydrophobicContact CB-CG1 3.57Å; A687-V708 HydrophobicContact CB-CG1 4.04Å; A687-R712 PolarHBondContact O-NH2 2.94Å
688Q86.6Confident87.6Confident117 Ų11747.8 Ų47.855%0.54725%0.253SS..Hα-helixtrans-75.8-49.2175.7-70.5171.1-3.400111.6A684 K685 L686 Q707A684-Q688 VanDerWaalsContact O-CG 3.31Å; A684-Q688 WeakPolarHBondContact O-CG 3.28Å; A684-Q688 PolarHBondContact O-N 2.88Å; K685-Q688 PolarHBondContact O-N 3.26Å; K685-Q688 VanDerWaalsContact O-N 3.17Å; L686-Q688 VanDerWaalsContact C-N 3.34Å; Q688-Q707 PolarHBondContact NE2-O 3.06Å
689D88.5Confident87.6Confident111 Ų11150.8 Ų50.859%0.59427%0.265SS*.Hα-helixtrans-70.7-42.7-173.8-68.7-11.4000112.2K685K685-D689 VanDerWaalsContact CE-OD2 3.29Å; K685-D689 WeakPolarHBondContact CE-OD2 3.29Å; K685-D689 WeakPolarHBondContact CG-OD2 3.46Å; K685-D689 WeakPolarHBondContact O-CB 3.43Å; K685-D689 VanDerWaalsContact O-CG 3.31Å; K685-D689 PolarHBondContact O-N 3.3Å
690E89.9Confident87.8Confident71 Ų7147.6 Ų47.633%0.33225%0.25SC..SBendtrans-105.3-0-172.9-65.7-174.3-142.300114.2R650 L686 R692R650-E690 IonicContact CZ-OE2 3.48Å; R650-E690 PolarHBondContact NH1-O 2.88Å; R650-E690 IonicContact NH2-OE2 3.96Å; R650-E690 PolarHBondContact NH2-OE2 3.15Å; L686-E690 WeakPolarHBondContact CD2-OE1 3.45Å; L686-E690 WeakPolarHBondContact O-CB 3.36Å; L686-E690 PolarHBondContact O-N 3.43Å; E690-R692 VanDerWaalsContact C-N 3.33Å; E690-R692 HydrophobicContact CB-CG 4.02Å; E690-R692 PolarHBondContact O-N 3.18Å; E690-R692 IonicContact OE2-CZ 3.13Å; E690-R692 VanDerWaalsContact OE2-CZ 3.3Å; E690-R692 IonicContact OE2-NE 2.67Å; E690-R692 PolarHBondContact OE2-NE 3.07Å; E690-R692 IonicContact OE2-NH2 2.79Å; E690-R692 PolarHBondContact OE2-NH2 3.27Å
691G86.9Confident87.9Confident36 Ų3647.2 Ų47.237%0.37125%0.248SC..  trans78.314.3-17900000114.6A687 R712A687-G691 PolarHBondContact O-N 2.72Å; G691-R712 VanDerWaalsContact O-CZ 3.25Å; G691-R712 PolarHBondContact O-NH1 2.94Å; G691-R712 VanDerWaalsContact O-NH1 3.12Å; G691-R712 PolarHBondContact O-NH2 3.46Å
692R93.6Very high87.8Confident9 Ų946.5 Ų46.53%0.03425%0.251CS..PPolyproline II helixtrans-77.5154.3-173.6-64.7177.8178.2-90.8-4.3113.2R650 V651 V652 D670 A687 E690 R712R650-R692 HydrophobicContact CB-CG 4.01Å; R650-R692 WeakPolarHBondContact O-CA 3.22Å; V651-R692 PolarHBondContact O-NH1 3.03Å; V652-R692 HydrophobicContact CG1-CB 4.41Å; D670-R692 VanDerWaalsContact CG-NH1 3.32Å; D670-R692 PolarHBondContact O-NH1 2.95Å; D670-R692 IonicContact OD1-CZ 3.52Å; D670-R692 IonicContact OD1-NH1 3.01Å; D670-R692 PolarHBondContact OD1-NH1 2.82Å; D670-R692 IonicContact OD1-NH2 3.33Å; D670-R692 PolarHBondContact OD1-NH2 2.9Å; D670-R692 IonicContact OD2-CZ 2.74Å; D670-R692 IonicContact OD2-NH1 2.7Å; D670-R692 IonicContact OD2-NH2 2.64Å; D670-R692 PolarHBondContact OD2-NH2 3.46Å; D670-R692 VanDerWaalsContact OD2-NH2 3.1Å; A687-R692 WeakPolarHBondContact CA-O 3.25Å; A687-R692 VanDerWaalsContact CB-O 3.28Å; A687-R692 WeakPolarHBondContact CB-O 3.38Å; A687-R692 PolarHBondContact O-N 3.38Å; E690-R692 VanDerWaalsContact C-N 3.33Å; E690-R692 HydrophobicContact CB-CG 4.02Å; E690-R692 PolarHBondContact O-N 3.18Å; E690-R692 IonicContact OE2-CZ 3.13Å; E690-R692 VanDerWaalsContact OE2-CZ 3.3Å; E690-R692 IonicContact OE2-NE 2.67Å; E690-R692 PolarHBondContact OE2-NE 3.07Å; E690-R692 IonicContact OE2-NH2 2.79Å; E690-R692 PolarHBondContact OE2-NH2 3.27Å; R692-R712 PolarHBondContact O-NE 3.32Å
693V94.2Very high87.5Confident16 Ų1647.3 Ų47.310%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-90.4134.7167.5178.30000109.8R650 V651 V652 F733R650-V693 PolarHBondContact O-N 3.08Å; V651-V693 CarbonylContact C-O 3.59Å; V651-V693 WeakPolarHBondContact CA-O 3.32Å; V651-V693 WeakPolarHBondContact CB-O 3.38Å; V651-V693 HydrophobicContact CG1-CB 4.27Å; V652-V693 PolarHBondContact N-O 3.02Å; V693-F733 HydrophobicContact CB-CZ 4.31Å; V693-F733 HydrophobicContact CG1-CE1 4.25Å; V693-F733 HydrophobicContact CG1-CE2 4.2Å; V693-F733 HydrophobicContact CG1-CZ 3.52Å; V693-F733 HydrophobicContact CG2-CE1 4.19Å; V693-F733 HydrophobicContact CG2-CZ 4.22Å
694I94.4Very high87.3Confident0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-82.6126.8176.2-55177000110.3V652 A683 A687 T696 L704 V708 R712 C713 L714V652-I694 HydrophobicContact CG1-CB 4.2Å; V652-I694 HydrophobicContact CG1-CG1 3.76Å; V652-I694 HydrophobicContact CG1-CG2 4.49Å; A683-I694 HydrophobicContact CB-CG2 4.46Å; A687-I694 HydrophobicContact CB-CD1 3.85Å; A687-I694 HydrophobicContact CB-CG1 3.57Å; I694-T696 HydrophobicContact CG2-CG2 4.15Å; I694-L704 HydrophobicContact CD1-CB 4.23Å; I694-L704 HydrophobicContact CG2-CD1 4.07Å; I694-V708 HydrophobicContact CD1-CG1 3.71Å; I694-V708 HydrophobicContact CD1-CG2 4.17Å; I694-R712 PolarHBondContact N-O 3.37Å; I694-C713 HydrophobicContact CB-CB 4.3Å; I694-C713 CarbonylContact O-C 3.49Å; I694-C713 WeakPolarHBondContact O-CA 3.47Å; I694-L714 PolarHBondContact O-N 3.49Å
695L94.8Very high87.1Confident0 Ų053.7 Ų53.70%028%0.28CS..EExtended strand (participates in β ladder)trans-105118.7165.3-55.7-177.5000108.2V651 V652 D654 L657 L660 L664 L714 L716 V729 F733V651-L695 HydrophobicContact CB-CD1 4.03Å; V651-L695 HydrophobicContact CB-CG 4.1Å; V651-L695 HydrophobicContact CG1-CD1 4.19Å; V651-L695 HydrophobicContact CG1-CG 4.29Å; V651-L695 HydrophobicContact CG2-CD1 3.96Å; V652-L695 PolarHBondContact O-N 3.35Å; D654-L695 PolarHBondContact N-O 3.09Å; D654-L695 VanDerWaalsContact N-O 3.09Å; L657-L695 HydrophobicContact CD1-CB 4.29Å; L660-L695 HydrophobicContact CD2-CD1 4.11Å; L664-L695 HydrophobicContact CD1-CD1 3.61Å; L695-L714 HydrophobicContact CD2-CB 3.86Å; L695-L714 HydrophobicContact CD2-CD2 3.91Å; L695-L714 HydrophobicContact CD2-CG 4.38Å; L695-L716 HydrophobicContact CB-CD1 4.35Å; L695-V729 HydrophobicContact CD1-CG1 4.14Å; L695-V729 HydrophobicContact CD1-CG2 3.98Å; L695-V729 HydrophobicContact CD2-CG1 4.42Å; L695-V729 HydrophobicContact CD2-CG2 4.15Å; L695-F733 HydrophobicContact CD2-CE2 4.5Å
696T92.2Very high86.7Confident0 Ų052.1 Ų52.10%029%0.285CS..EExtended strand (participates in β ladder)trans-144.4158.5-177.4-175.80000111.7D654 I694 F701 L704 L714 A715 L716D654-T696 WeakPolarHBondContact OD2-CA 3.31Å; D654-T696 VanDerWaalsContact OD2-CB 3.28Å; D654-T696 WeakPolarHBondContact OD2-CB 3.5Å; D654-T696 PolarHBondContact OD2-OG1 3.1Å; I694-T696 HydrophobicContact CG2-CG2 4.15Å; T696-F701 HydrophobicContact CG2-CB 3.87Å; T696-F701 HydrophobicContact CG2-CD2 3.83Å; T696-F701 HydrophobicContact CG2-CG 4.36Å; T696-L704 HydrophobicContact CG2-CD1 4.2Å; T696-L714 PolarHBondContact N-O 3.34Å; T696-L714 VanDerWaalsContact N-O 3.1Å; T696-A715 WeakPolarHBondContact O-CA 3.29Å; T696-L716 PolarHBondContact O-N 2.76Å
697C86.4Confident86.3Confident4 Ų453.3 Ų53.33%0.02729%0.29CS..  trans-131.9148.7174.982.30000112.7D654 L657 L716 C718D654-C697 PolarHBondContact OD2-N 3.37Å; D654-C697 VanDerWaalsContact OD2-N 3.07Å; L657-C697 HydrophobicContact CD1-CB 4.34Å; L657-C697 HydrophobicContact CD2-CB 4.32Å; L657-C697 HydrophobicContact CG-CB 4.47Å; C697-L716 WeakPolarHBondContact CB-O 3.37Å; C697-C718 HydrophobicContact CB-CB 4.2Å; C697-C718 WeakPolarHBondContact CB-SG 3.19Å; C697-C718 WeakPolarHBondContact SG-CB 3.4Å; C697-C718 CovalentContact SG-SG 2.05Å; C697-C718 PolarHBondContact SG-SG 2.75Å
698G81.1Confident85.8Confident52 Ų5254.1 Ų54.154%0.53630%0.295SS..SBendtrans76.4-147.9178.400000114.9P700 F701G698-P700 VanDerWaalsContact C-CD 3.41Å; G698-F701 WeakPolarHBondContact O-CB 3.42Å; G698-F701 PolarHBondContact O-N 3.01Å
699Q76.8Confident85Confident121 Ų12151 Ų5157%0.56529%0.294SS*.THydrogen-bonded Turntrans-59.6-36.2-172.9-65.2-69.4-55.600115.3F701 Q702Q699-F701 PolarHBondContact O-N 3.22Å; Q699-F701 VanDerWaalsContact O-N 3.15Å; Q699-Q702 PolarHBondContact O-N 3.34Å
700P82.6Confident84.3Confident27 Ų2754.1 Ų54.118%0.17531%0.305CS..Hα-helixtrans-58.8-25.6179.2-25.935.4000114.6H680 G698 Q702 T703 L704H680-P700 HydrophobicContact CB-CB 4.45Å; G698-P700 VanDerWaalsContact C-CD 3.41Å; P700-Q702 VanDerWaalsContact C-N 3.31Å; P700-Q702 PolarHBondContact O-N 3.35Å; P700-T703 PolarHBondContact O-N 3.01Å; P700-L704 HydrophobicContact CB-CD1 4.06Å; P700-L704 WeakPolarHBondContact O-CB 3.21Å; P700-L704 VanDerWaalsContact O-CG 3.31Å; P700-L704 WeakPolarHBondContact O-CG 3.37Å; P700-L704 PolarHBondContact O-N 3.26Å
701F84.4Confident83.5Confident45 Ų4553.4 Ų53.420%0.19732%0.316CS..Hα-helixtrans-54.1-44.8179.7176.6-110.9000113.1T696 G698 Q699 T703 L704 R705 C713 A715T696-F701 HydrophobicContact CG2-CB 3.87Å; T696-F701 HydrophobicContact CG2-CD2 3.83Å; T696-F701 HydrophobicContact CG2-CG 4.36Å; G698-F701 WeakPolarHBondContact O-CB 3.42Å; G698-F701 PolarHBondContact O-N 3.01Å; Q699-F701 PolarHBondContact O-N 3.22Å; Q699-F701 VanDerWaalsContact O-N 3.15Å; F701-T703 VanDerWaalsContact C-N 3.34Å; F701-T703 PolarHBondContact O-N 3.47Å; F701-L704 PolarHBondContact O-N 2.98Å; F701-R705 WeakPolarHBondContact O-CB 3.4Å; F701-R705 PolarHBondContact O-N 2.78Å; F701-C713 HydrophobicContact CE2-CB 4.35Å; F701-A715 HydrophobicContact CD1-CB 3.97Å; F701-A715 HydrophobicContact CD2-CB 3.6Å; F701-A715 HydrophobicContact CE1-CB 4.01Å; F701-A715 HydrophobicContact CE2-CB 3.65Å; F701-A715 HydrophobicContact CG-CB 3.76Å; F701-A715 HydrophobicContact CZ-CB 3.85Å
702Q79.1Confident83.3Confident137 Ų13755.8 Ų55.864%0.6431%0.314SS*.Hα-helixtrans-63.5-42.8-177.1-66.6178.4-9.600111.2Q699 P700Q699-Q702 PolarHBondContact O-N 3.34Å; P700-Q702 VanDerWaalsContact C-N 3.31Å; P700-Q702 PolarHBondContact O-N 3.35Å
703T81.6Confident83.2Confident78 Ų7856.2 Ų56.248%0.47932%0.318SS..Hα-helixtrans-75.3-34.1-179.3-50.90000112.8P700 F701 S706 Q707P700-T703 PolarHBondContact O-N 3.01Å; F701-T703 VanDerWaalsContact C-N 3.34Å; F701-T703 PolarHBondContact O-N 3.47Å; T703-S706 PolarHBondContact O-OG 3.17Å; T703-Q707 PolarHBondContact O-NE2 3.42Å
704L83.5Confident83Confident2 Ų255.9 Ų55.91%0.0132%0.316CS..Hα-helixtrans-78-38.4-179.9-69.1171.2000111.6H680 A684 I694 T696 P700 F701 S706 Q707 V708H680-L704 HydrophobicContact CB-CD1 4.33Å; H680-L704 HydrophobicContact CB-CD2 4.44Å; H680-L704 VanDerWaalsContact O-CD2 3.26Å; H680-L704 WeakPolarHBondContact O-CD2 3.5Å; A684-L704 HydrophobicContact CB-CD2 3.98Å; I694-L704 HydrophobicContact CD1-CB 4.23Å; I694-L704 HydrophobicContact CG2-CD1 4.07Å; T696-L704 HydrophobicContact CG2-CD1 4.2Å; P700-L704 HydrophobicContact CB-CD1 4.06Å; P700-L704 WeakPolarHBondContact O-CB 3.21Å; P700-L704 VanDerWaalsContact O-CG 3.31Å; P700-L704 WeakPolarHBondContact O-CG 3.37Å; P700-L704 PolarHBondContact O-N 3.26Å; F701-L704 PolarHBondContact O-N 2.98Å; L704-S706 VanDerWaalsContact C-N 3.28Å; L704-S706 PolarHBondContact O-N 3.43Å; L704-Q707 PolarHBondContact O-N 2.78Å; L704-V708 PolarHBondContact O-N 3.35Å
705R83.7Confident82.8Confident133 Ų13356.6 Ų56.650%0.50232%0.322SS..Hα-helixtrans-60-36.6176.8-177-178.3176.7-176.91.4112.2F701 Q707 V708 C713F701-R705 WeakPolarHBondContact O-CB 3.4Å; F701-R705 PolarHBondContact O-N 2.78Å; R705-Q707 PolarHBondContact O-N 3.12Å; R705-V708 PolarHBondContact O-N 3.29Å; R705-C713 HydrophobicContact CB-CB 4.32Å
706S80.3Confident82.5Confident98 Ų9857 Ų5769%0.68532%0.324SS*.THydrogen-bonded Turntrans-72.1-15.6177.762.40000113.8T703 L704T703-S706 PolarHBondContact O-OG 3.17Å; L704-S706 VanDerWaalsContact C-N 3.28Å; L704-S706 PolarHBondContact O-N 3.43Å
707Q81.6Confident82Confident61 Ų6159.6 Ų59.629%0.28534%0.338SS..THydrogen-bonded Turntrans-96.1-8.6-179.9-70174.766.800113.2A684 Q688 T703 L704 R705A684-Q707 HydrophobicContact CB-CB 4.04Å; Q688-Q707 PolarHBondContact NE2-O 3.06Å; T703-Q707 PolarHBondContact O-NE2 3.42Å; L704-Q707 PolarHBondContact O-N 2.78Å; R705-Q707 PolarHBondContact O-N 3.12Å
708V79Confident81.5Confident19 Ų1963 Ų6312%0.11536%0.361CS..SBendtrans-129.1153.4179-59.30000110.3A687 I694 L704 R705 R712 C713A687-V708 HydrophobicContact CB-CG1 4.04Å; I694-V708 HydrophobicContact CD1-CG1 3.71Å; I694-V708 HydrophobicContact CD1-CG2 4.17Å; L704-V708 PolarHBondContact O-N 3.35Å; R705-V708 PolarHBondContact O-N 3.29Å; V708-R712 HydrophobicContact CB-CB 3.99Å; V708-R712 HydrophobicContact CG2-CB 3.86Å; V708-C713 HydrophobicContact CG2-CB 3.75Å
709G70.9Confident81.2Confident51 Ų5165.1 Ų65.153%0.52637%0.368SS..  trans-60.5164.217900000113.6R712G709-R712 VanDerWaalsContact O-CB 3.29Å; G709-R712 WeakPolarHBondContact O-CB 3.43Å; G709-R712 PolarHBondContact O-N 3.38Å
710E73.7Confident81.4Confident176 Ų17662.6 Ų62.682%0.82236%0.356SS*.THydrogen-bonded Turntrans-55.6140.4176.3-169.1157.8-143.800111.5R712E710-R712 VanDerWaalsContact C-N 3.28Å; E710-R712 PolarHBondContact O-N 2.79Å
711G73.9Confident81.4Confident56 Ų5669 Ų6958%0.57738%0.381SS*.THydrogen-bonded Turntrans77.1-0.1-175.800000116.1
712R82.6Confident81.4Confident86 Ų8668.2 Ų68.233%0.32538%0.383SS..SBendtrans-100.44.6-177.9-61.7-74.7-69.8-129.3-21.9114.8A687 G691 R692 I694 V708 G709 E710A687-R712 PolarHBondContact O-NH2 2.94Å; G691-R712 VanDerWaalsContact O-CZ 3.25Å; G691-R712 PolarHBondContact O-NH1 2.94Å; G691-R712 VanDerWaalsContact O-NH1 3.12Å; G691-R712 PolarHBondContact O-NH2 3.46Å; R692-R712 PolarHBondContact O-NE 3.32Å; I694-R712 PolarHBondContact N-O 3.37Å; V708-R712 HydrophobicContact CB-CB 3.99Å; V708-R712 HydrophobicContact CG2-CB 3.86Å; G709-R712 VanDerWaalsContact O-CB 3.29Å; G709-R712 WeakPolarHBondContact O-CB 3.43Å; G709-R712 PolarHBondContact O-N 3.38Å; E710-R712 VanDerWaalsContact C-N 3.28Å; E710-R712 PolarHBondContact O-N 2.79Å
713C89.7Confident81.7Confident18 Ų1869 Ų6912%0.12238%0.38CS..EExtended strand (participates in β ladder)trans-142.5124.1178.3-169.40000110I694 F701 R705 V708I694-C713 HydrophobicContact CB-CB 4.3Å; I694-C713 CarbonylContact O-C 3.49Å; I694-C713 WeakPolarHBondContact O-CA 3.47Å; F701-C713 HydrophobicContact CE2-CB 4.35Å; R705-C713 HydrophobicContact CB-CB 4.32Å; V708-C713 HydrophobicContact CG2-CB 3.75Å
714L91.1Very high82Confident9 Ų969 Ų695%0.04738%0.377CS..EExtended strand (participates in β ladder)trans-116.2125.9-179.5-177.365000110.6I694 L695 T696 L716 V729 H732 F733I694-L714 PolarHBondContact O-N 3.49Å; L695-L714 HydrophobicContact CD2-CB 3.86Å; L695-L714 HydrophobicContact CD2-CD2 3.91Å; L695-L714 HydrophobicContact CD2-CG 4.38Å; T696-L714 PolarHBondContact N-O 3.34Å; T696-L714 VanDerWaalsContact N-O 3.1Å; L714-L716 HydrophobicContact CD2-CD2 4.09Å; L714-L716 HydrophobicContact CG-CD2 4.26Å; L714-V729 HydrophobicContact CD2-CG2 4.21Å; L714-H732 HydrophobicContact CD2-CB 4.4Å; L714-F733 HydrophobicContact CD2-CE2 4.02Å
715A90Very high82.3Confident15 Ų1569.4 Ų69.412%0.12438%0.379CS..EExtended strand (participates in β ladder)trans-84.4129.5173.100000111.1T696 F701T696-A715 WeakPolarHBondContact O-CA 3.29Å; F701-A715 HydrophobicContact CD1-CB 3.97Å; F701-A715 HydrophobicContact CD2-CB 3.6Å; F701-A715 HydrophobicContact CE1-CB 4.01Å; F701-A715 HydrophobicContact CE2-CB 3.65Å; F701-A715 HydrophobicContact CG-CB 3.76Å; F701-A715 HydrophobicContact CZ-CB 3.85Å
716L87.9Confident82.7Confident9 Ų963 Ų635%0.04736%0.355CS..  trans-115.7154.9174.7-61.9174.6000111.1L657 L660 L695 T696 C697 L714 R728 V729L657-L716 HydrophobicContact CD1-CB 4.45Å; L657-L716 HydrophobicContact CD1-CD1 4.09Å; L660-L716 HydrophobicContact CD2-CD1 3.19Å; L695-L716 HydrophobicContact CB-CD1 4.35Å; T696-L716 PolarHBondContact O-N 2.76Å; C697-L716 WeakPolarHBondContact CB-O 3.37Å; L714-L716 HydrophobicContact CD2-CD2 4.09Å; L714-L716 HydrophobicContact CG-CD2 4.26Å; L716-R728 HydrophobicContact CD2-CG 4.37Å; L716-V729 HydrophobicContact CD1-CG2 3.77Å; L716-V729 HydrophobicContact CD2-CG2 4.1Å
717D82.1Confident83Confident55 Ų5561.2 Ų61.229%0.29434%0.337SS..  trans-85.3115.2176.6-172.7-20.6000109.4S719 E720 Q725D717-S719 PolarHBondContact O-N 3.01Å; D717-S719 VanDerWaalsContact OD1-CB 3.3Å; D717-S719 WeakPolarHBondContact OD1-CB 3.26Å; D717-S719 PolarHBondContact OD1-N 2.81Å; D717-S719 PolarHBondContact OD1-OG 3.1Å; D717-S719 PolarHBondContact OD2-OG 2.97Å; D717-E720 HydrophobicContact CB-CG 4.05Å; D717-E720 PolarHBondContact O-N 3.22Å; D717-Q725 PolarHBondContact O-NE2 3.33Å
718C75.4Confident83.4Confident74 Ų7461 Ų6150%0.533%0.334SS..THydrogen-bonded Turntrans-68.9-10.2-178.8-30.50000113C697C697-C718 HydrophobicContact CB-CB 4.2Å; C697-C718 WeakPolarHBondContact CB-SG 3.19Å; C697-C718 WeakPolarHBondContact SG-CB 3.4Å; C697-C718 CovalentContact SG-SG 2.05Å; C697-C718 PolarHBondContact SG-SG 2.75Å
719S75.6Confident84Confident98 Ų9860.1 Ų60.169%0.68533%0.328SS*.THydrogen-bonded Turntrans-80.6-17.8175.272.70000113.4D717D717-S719 PolarHBondContact O-N 3.01Å; D717-S719 VanDerWaalsContact OD1-CB 3.3Å; D717-S719 WeakPolarHBondContact OD1-CB 3.26Å; D717-S719 PolarHBondContact OD1-N 2.81Å; D717-S719 PolarHBondContact OD1-OG 3.1Å; D717-S719 PolarHBondContact OD2-OG 2.97Å
720E80.5Confident84.9Confident67 Ų6758.4 Ų58.431%0.31331%0.307SS..SBendtrans-75.2148.7175.4-68.2179.2158.400111.3D717 D724 Q725 R728D717-E720 HydrophobicContact CB-CG 4.05Å; D717-E720 PolarHBondContact O-N 3.22Å; E720-D724 HydrophobicContact CB-CB 4.49Å; E720-Q725 HydrophobicContact CB-CG 3.77Å; E720-Q725 PolarHBondContact O-NE2 2.96Å; E720-R728 IonicContact OE1-NH1 2.82Å; E720-R728 IonicContact OE2-NH1 3.36Å
721K82.3Confident85.6Confident161 Ų16159 Ų5970%0.730%0.302SS*.  trans-71150.4173.8-65.4179.4-179.7175.80109.7R723 D724 Q725K721-R723 PolarHBondContact O-N 3.46Å; K721-D724 PolarHBondContact O-N 2.98Å; K721-Q725 PolarHBondContact O-N 2.98Å
722A84.4Confident86.3Confident30 Ų3058.5 Ų58.525%0.24828%0.284CS..Hα-helixtrans-51.2-34.9-179.300000114.3A726A722-A726 WeakPolarHBondContact O-CB 3.28Å; A722-A726 PolarHBondContact O-N 3.13Å
723R86.1Confident86.5Confident154 Ų15456.1 Ų56.158%0.58128%0.276SS*.Hα-helixtrans-62.6-45.3174.7177.4178-179.7-174.11.9112.3Y663 K721 A726 I727Y663-R723 HydrophobicContact CE1-CB 4.39Å; Y663-R723 HydrophobicContact CE1-CG 4.24Å; Y663-R723 HydrophobicContact CE2-CB 4.15Å; K721-R723 PolarHBondContact O-N 3.46Å; R723-A726 PolarHBondContact O-N 3.19Å; R723-I727 HydrophobicContact CG-CD1 4.3Å; R723-I727 WeakPolarHBondContact O-CG1 3.37Å; R723-I727 PolarHBondContact O-N 3.11Å
724D87.3Confident86.6Confident77 Ų7757.4 Ų57.441%0.41228%0.282SS..Hα-helixtrans-72-39.7-176.6-56.9-41.3000110.3E720 K721 A726 I727 R728E720-D724 HydrophobicContact CB-CB 4.49Å; K721-D724 PolarHBondContact O-N 2.98Å; D724-A726 VanDerWaalsContact C-N 3.32Å; D724-A726 PolarHBondContact O-N 2.96Å; D724-I727 PolarHBondContact O-N 3.31Å; D724-R728 PolarHBondContact O-N 3.48Å
725Q90.9Very high86.6Confident10 Ų1057.4 Ų57.45%0.04728%0.282CS..Hα-helixtrans-57.8-42.9169.8-66.7175-23.400111.7L660 D717 E720 K721 R728 V729L660-Q725 HydrophobicContact CD1-CB 3.81Å; L660-Q725 HydrophobicContact CD2-CB 4.18Å; L660-Q725 HydrophobicContact CG-CB 4.43Å; D717-Q725 PolarHBondContact O-NE2 3.33Å; E720-Q725 HydrophobicContact CB-CG 3.77Å; E720-Q725 PolarHBondContact O-NE2 2.96Å; K721-Q725 PolarHBondContact O-N 2.98Å; Q725-R728 WeakPolarHBondContact O-CB 3.47Å; Q725-R728 PolarHBondContact O-N 3.13Å; Q725-V729 WeakPolarHBondContact O-CG2 3.43Å; Q725-V729 PolarHBondContact O-N 3.29Å
726A90.4Very high86.5Confident0 Ų062.5 Ų62.50%030%0.303CS..Hα-helixtrans-64.4-44.2177.900000112L660 Y663 L664 A722 R723 D724 R728 V729 L730L660-A726 HydrophobicContact CD1-CB 3.74Å; L660-A726 VanDerWaalsContact CD1-N 3.34Å; Y663-A726 HydrophobicContact CD1-CB 3.58Å; Y663-A726 HydrophobicContact CE1-CB 4.24Å; Y663-A726 HydrophobicContact CG-CB 4.36Å; L664-A726 HydrophobicContact CD2-CB 4.02Å; L664-A726 HydrophobicContact CG-CB 4.44Å; A722-A726 WeakPolarHBondContact O-CB 3.28Å; A722-A726 PolarHBondContact O-N 3.13Å; R723-A726 PolarHBondContact O-N 3.19Å; D724-A726 VanDerWaalsContact C-N 3.32Å; D724-A726 PolarHBondContact O-N 2.96Å; A726-R728 PolarHBondContact O-N 2.87Å; A726-V729 PolarHBondContact O-N 3.22Å; A726-L730 VanDerWaalsContact O-CG 3.29Å; A726-L730 WeakPolarHBondContact O-CG 3.49Å; A726-L730 PolarHBondContact O-N 3.37Å
727I87.6Confident86.6Confident60 Ų6064.7 Ų64.731%0.30832%0.318SS..Hα-helixtrans-57.2-41.6175-68.5166.3000110.5R723 D724 R731R723-I727 HydrophobicContact CG-CD1 4.3Å; R723-I727 WeakPolarHBondContact O-CG1 3.37Å; R723-I727 PolarHBondContact O-N 3.11Å; D724-I727 PolarHBondContact O-N 3.31Å; I727-R731 WeakPolarHBondContact O-CB 3.43Å; I727-R731 VanDerWaalsContact O-CG 3.32Å; I727-R731 WeakPolarHBondContact O-CG 3.35Å; I727-R731 PolarHBondContact O-N 2.9Å
728R89Confident86.9Confident56 Ų5665.1 Ų65.121%0.21132%0.323CS..Hα-helixtrans-64.8-45.3178.2-176.9175.9-179.9168.2-0.1112.5L632 L716 E720 D724 Q725 A726 R731 H732L632-R728 VanDerWaalsContact CB-NH2 3.35Å; L632-R728 PolarHBondContact O-NH2 3.23Å; L716-R728 HydrophobicContact CD2-CG 4.37Å; E720-R728 IonicContact OE1-NH1 2.82Å; E720-R728 IonicContact OE2-NH1 3.36Å; D724-R728 PolarHBondContact O-N 3.48Å; Q725-R728 WeakPolarHBondContact O-CB 3.47Å; Q725-R728 PolarHBondContact O-N 3.13Å; A726-R728 PolarHBondContact O-N 2.87Å; R728-R731 PolarHBondContact O-N 2.88Å; R728-H732 WeakPolarHBondContact O-CB 3.13Å; R728-H732 PolarHBondContact O-N 2.64Å
729V91.8Very high87.5Confident0 Ų067.1 Ų67.10%034%0.335CS..Hα-helixtrans-60.4-47.91771720000110.7L649 L660 L664 L695 L714 L716 Q725 A726 R731 H732 F733L649-V729 HydrophobicContact CD2-CG1 4.14Å; L660-V729 HydrophobicContact CD2-CG2 4.36Å; L664-V729 HydrophobicContact CD1-CG1 4.13Å; L664-V729 HydrophobicContact CD2-CB 4.35Å; L664-V729 HydrophobicContact CD2-CG1 4.17Å; L695-V729 HydrophobicContact CD1-CG1 4.14Å; L695-V729 HydrophobicContact CD1-CG2 3.98Å; L695-V729 HydrophobicContact CD2-CG1 4.42Å; L695-V729 HydrophobicContact CD2-CG2 4.15Å; L714-V729 HydrophobicContact CD2-CG2 4.21Å; L716-V729 HydrophobicContact CD1-CG2 3.77Å; L716-V729 HydrophobicContact CD2-CG2 4.1Å; Q725-V729 WeakPolarHBondContact O-CG2 3.43Å; Q725-V729 PolarHBondContact O-N 3.29Å; A726-V729 PolarHBondContact O-N 3.22Å; V729-R731 PolarHBondContact O-N 2.94Å; V729-H732 PolarHBondContact O-N 2.88Å; V729-F733 HydrophobicContact CG1-CD2 4Å; V729-F733 HydrophobicContact CG1-CE2 4.25Å; V729-F733 WeakPolarHBondContact O-CD2 3.26Å; V729-F733 PolarHBondContact O-N 2.96Å; V729-F733 VanDerWaalsContact O-N 3.13Å
730L91.3Very high88Confident15 Ų1567 Ų678%0.07933%0.334CS..Hα-helixtrans-62.2-42.7-179.6-65.4172.5000112.1L664 L667 V669 A726 N734 V735 P737L664-L730 HydrophobicContact CD2-CD2 4.36Å; L664-L730 HydrophobicContact CD2-CG 4.43Å; L667-L730 HydrophobicContact CD1-CD1 3.72Å; V669-L730 HydrophobicContact CG2-CD2 4.3Å; A726-L730 VanDerWaalsContact O-CG 3.29Å; A726-L730 WeakPolarHBondContact O-CG 3.49Å; A726-L730 PolarHBondContact O-N 3.37Å; L730-N734 PolarHBondContact O-N 3.03Å; L730-N734 VanDerWaalsContact O-N 3.12Å; L730-V735 HydrophobicContact CB-CB 4.34Å; L730-V735 HydrophobicContact CD2-CB 3.67Å; L730-V735 HydrophobicContact CD2-CG1 3.55Å; L730-V735 HydrophobicContact CD2-CG2 4.41Å; L730-V735 PolarHBondContact O-N 3.06Å; L730-P737 HydrophobicContact CD1-CG 4.13Å
731R88.4Confident88.4Confident190 Ų19064.5 Ų64.572%0.71732%0.323SS*.Hα-helixtrans-64.4-42175.6-74.1176.4-179.8170.80.4112.4I727 R728 V729 F733 N734I727-R731 WeakPolarHBondContact O-CB 3.43Å; I727-R731 VanDerWaalsContact O-CG 3.32Å; I727-R731 WeakPolarHBondContact O-CG 3.35Å; I727-R731 PolarHBondContact O-N 2.9Å; R728-R731 PolarHBondContact O-N 2.88Å; V729-R731 PolarHBondContact O-N 2.94Å; R731-F733 VanDerWaalsContact C-N 3.31Å; R731-F733 PolarHBondContact O-N 2.86Å; R731-N734 PolarHBondContact O-N 2.98Å
732H87Confident88.7Confident44 Ų4461.1 Ų61.120%0.20431%0.312CS..Hα-helixtrans-62.3-38.9-178.9-177.567000112.1P637 L714 R728 V729P637-H732 WeakPolarHBondContact CD-O 3.44Å; L714-H732 HydrophobicContact CD2-CB 4.4Å; R728-H732 WeakPolarHBondContact O-CB 3.13Å; R728-H732 PolarHBondContact O-N 2.64Å; V729-H732 PolarHBondContact O-N 2.88Å
733F88.1Confident88.9Confident36 Ų3665.1 Ų65.116%0.15832%0.324CS..THydrogen-bonded Turntrans-94.911.1178.4-66.4-68000114.2L644 L649 V693 L695 L714 V729 R731 V735L644-F733 WeakPolarHBondContact CD1-O 3.31Å; L649-F733 HydrophobicContact CD1-CB 4.21Å; L649-F733 HydrophobicContact CD1-CD1 4.21Å; L649-F733 HydrophobicContact CD1-CD2 3.88Å; L649-F733 HydrophobicContact CD1-CE2 4.38Å; L649-F733 HydrophobicContact CD1-CG 3.82Å; L649-F733 HydrophobicContact CD2-CB 4.21Å; L649-F733 HydrophobicContact CD2-CD2 3.92Å; L649-F733 HydrophobicContact CD2-CG 4.27Å; V693-F733 HydrophobicContact CB-CZ 4.31Å; V693-F733 HydrophobicContact CG1-CE1 4.25Å; V693-F733 HydrophobicContact CG1-CE2 4.2Å; V693-F733 HydrophobicContact CG1-CZ 3.52Å; V693-F733 HydrophobicContact CG2-CE1 4.19Å; V693-F733 HydrophobicContact CG2-CZ 4.22Å; L695-F733 HydrophobicContact CD2-CE2 4.5Å; L714-F733 HydrophobicContact CD2-CE2 4.02Å; V729-F733 HydrophobicContact CG1-CD2 4Å; V729-F733 HydrophobicContact CG1-CE2 4.25Å; V729-F733 WeakPolarHBondContact O-CD2 3.26Å; V729-F733 PolarHBondContact O-N 2.96Å; V729-F733 VanDerWaalsContact O-N 3.13Å; R731-F733 VanDerWaalsContact C-N 3.31Å; R731-F733 PolarHBondContact O-N 2.86Å; F733-V735 HydrophobicContact CB-CG2 3.88Å; F733-V735 PolarHBondContact O-N 3.35Å
734N90.4Very high89Confident45 Ų4558.8 Ų58.824%0.24130%0.303CS..THydrogen-bonded Turntrans48.243.4-175-16422.4000113.7P637 T641 P643 L644 L730 R731P637-N734 HydrophobicContact CG-CB 4.28Å; T641-N734 PolarHBondContact O-ND2 2.97Å; P643-N734 WeakPolarHBondContact CA-O 3.33Å; L644-N734 PolarHBondContact N-O 3.08Å; L730-N734 PolarHBondContact O-N 3.03Å; L730-N734 VanDerWaalsContact O-N 3.12Å; R731-N734 PolarHBondContact O-N 2.98Å
735V91.4Very high89.3Confident9 Ų956.4 Ų56.46%0.05529%0.288CS..BIsolated β-bridgetrans-89.6126.9178.6179.80000110.1L644 P646 L649 L730 F733 P737L644-V735 HydrophobicContact CB-CG2 4.03Å; L644-V735 WeakPolarHBondContact O-CA 3.37Å; P646-V735 HydrophobicContact CB-CG1 4.12Å; P646-V735 HydrophobicContact CG-CG1 3.82Å; L649-V735 HydrophobicContact CB-CG2 4.09Å; L649-V735 HydrophobicContact CD2-CG2 3.82Å; L649-V735 HydrophobicContact CG-CG2 4.5Å; L730-V735 HydrophobicContact CB-CB 4.34Å; L730-V735 HydrophobicContact CD2-CB 3.67Å; L730-V735 HydrophobicContact CD2-CG1 3.55Å; L730-V735 HydrophobicContact CD2-CG2 4.41Å; L730-V735 PolarHBondContact O-N 3.06Å; F733-V735 HydrophobicContact CB-CG2 3.88Å; F733-V735 PolarHBondContact O-N 3.35Å; V735-P737 WeakPolarHBondContact O-CD 3.44Å
736Q88.7Confident89.1Confident122 Ų12257 Ų5757%0.5729%0.293SS*.  trans-114.294.4179.6-62.8-166.26.100111.1P643 L644P643-Q736 HydrophobicContact CB-CG 4.27Å; L644-Q736 PolarHBondContact O-N 3.15Å
737P88.8Confident89Confident56 Ų5660.8 Ų60.836%0.36431%0.311SS..  trans-72.3138.8177.828.7-32.8000111.6P646 L730 V735P646-P737 HydrophobicContact CG-CB 3.88Å; L730-P737 HydrophobicContact CD1-CG 4.13Å; V735-P737 WeakPolarHBondContact O-CD 3.44Å
738T90.2Very high88.8Confident64 Ų6461.9 Ų61.939%0.39333%0.329SS..  trans-102.4163.8174.266.40000110.7S740 D741T738-S740 PolarHBondContact O-N 3.44Å; T738-S740 VanDerWaalsContact O-N 3.14Å; T738-S740 PolarHBondContact OG1-OG 3.27Å; T738-D741 WeakPolarHBondContact CB-OD2 3.28Å; T738-D741 PolarHBondContact N-OD2 2.96Å; T738-D741 WeakPolarHBondContact O-CB 3.41Å; T738-D741 PolarHBondContact O-N 3.12Å; T738-D741 VanDerWaalsContact OG1-CG 3.3Å; T738-D741 PolarHBondContact OG1-OD2 3.43Å
739P87.1Confident88.7Confident115 Ų11562.8 Ų62.875%0.74734%0.343SS*.G310 helixtrans-55.3-29.4174.5-27.936.4000114.4D741 I742P739-D741 VanDerWaalsContact C-N 3.28Å; P739-D741 PolarHBondContact O-N 3.45Å; P739-I742 PolarHBondContact O-N 3.42Å
740S86.3Confident88.6Confident97 Ų9763.7 Ų63.768%0.67835%0.348SS*.G310 helixtrans-70-20.2175.433.30000114.4T738 I742T738-S740 PolarHBondContact O-N 3.44Å; T738-S740 VanDerWaalsContact O-N 3.14Å; T738-S740 PolarHBondContact OG1-OG 3.27Å; S740-I742 VanDerWaalsContact C-N 3.33Å
741D88.1Confident88.5Confident14 Ų1464.4 Ų64.48%0.07535%0.354CS..G310 helixtrans-82.5-16177.7-56.5-49.7000112.1P646 Q647 L667 G668 T738 P739 F743 S744P646-D741 HydrophobicContact CG-CB 4.01Å; Q647-D741 PolarHBondContact NE2-OD1 3.44Å; L667-D741 CarbonylContact C-O 3.54Å; G668-D741 PolarHBondContact N-O 2.97Å; T738-D741 WeakPolarHBondContact CB-OD2 3.28Å; T738-D741 PolarHBondContact N-OD2 2.96Å; T738-D741 WeakPolarHBondContact O-CB 3.41Å; T738-D741 PolarHBondContact O-N 3.12Å; T738-D741 VanDerWaalsContact OG1-CG 3.3Å; T738-D741 PolarHBondContact OG1-OD2 3.43Å; P739-D741 VanDerWaalsContact C-N 3.28Å; P739-D741 PolarHBondContact O-N 3.45Å; D741-F743 PolarHBondContact O-N 3.01Å; D741-S744 WeakPolarHBondContact O-CB 3.47Å; D741-S744 PolarHBondContact O-N 2.97Å; D741-S744 VanDerWaalsContact O-N 3.08Å; D741-S744 PolarHBondContact O-OG 3Å; D741-S744 VanDerWaalsContact O-OG 3.13Å
742I88.7Confident88.4Confident90 Ų9059.3 Ų59.346%0.46234%0.341SS..THydrogen-bonded Turntrans-69.4119.3-179.4-53.8178.3000109.1C666 P739 S740 S744C666-I742 CarbonylContact O-C 3.4Å; C666-I742 WeakPolarHBondContact O-CA 3.5Å; P739-I742 PolarHBondContact O-N 3.42Å; S740-I742 VanDerWaalsContact C-N 3.33Å; I742-S744 PolarHBondContact O-N 2.99Å
743F88.9Confident88.4Confident113 Ų11363.3 Ų63.350%0.49636%0.36SS..THydrogen-bonded Turntrans5629.7-171.4-52.9-67.2000113.5C666 D741 R745 Y754C666-F743 HydrophobicContact CB-CD1 4.42Å; C666-F743 HydrophobicContact CB-CE1 4.28Å; C666-F743 PolarHBondContact O-N 3.17Å; D741-F743 PolarHBondContact O-N 3.01Å; F743-R745 PolarHBondContact O-N 3.08Å; F743-Y754 WeakPolarHBondContact O-CE2 3.32Å; F743-Y754 PolarHBondContact O-OH 3.4Å
744S89Confident88.1Confident22 Ų2264.3 Ų64.315%0.15436%0.363CS..SBendtrans-74.7-10.3168.9800000112.4G668 D741 I742 D752G668-S744 WeakPolarHBondContact CA-OG 3.28Å; D741-S744 WeakPolarHBondContact O-CB 3.47Å; D741-S744 PolarHBondContact O-N 2.97Å; D741-S744 VanDerWaalsContact O-N 3.08Å; D741-S744 PolarHBondContact O-OG 3Å; D741-S744 VanDerWaalsContact O-OG 3.13Å; I742-S744 PolarHBondContact O-N 2.99Å; S744-D752 VanDerWaalsContact O-CA 3.32Å; S744-D752 WeakPolarHBondContact O-CA 3.39Å; S744-D752 WeakPolarHBondContact O-CB 3.37Å
745R92.3Very high87.6Confident26 Ų2665.3 Ų65.310%0.09837%0.371CS..SBendtrans-132.9147.1170.6-79.1-175.7-177.4-70.2-12.4112.3R665 G668 V669 F743 N750 S751 D752 Y754R665-R745 WeakPolarHBondContact O-CB 3.26Å; G668-R745 WeakPolarHBondContact O-CD 3.25Å; G668-R745 PolarHBondContact O-NE 2.84Å; V669-R745 VanDerWaalsContact O-CD 3.3Å; V669-R745 WeakPolarHBondContact O-CD 3.39Å; F743-R745 PolarHBondContact O-N 3.08Å; R745-N750 PolarHBondContact NH1-O 3.34Å; R745-S751 CarbonylContact C-O 3.56Å; R745-S751 WeakPolarHBondContact CA-O 3.31Å; R745-D752 HydrophobicContact CG-CB 3.9Å; R745-D752 IonicContact CZ-OD2 3.94Å; R745-D752 VanDerWaalsContact CZ-OD2 3.29Å; R745-D752 IonicContact NH1-OD1 3.8Å; R745-D752 IonicContact NH1-OD2 2.66Å; R745-D752 PolarHBondContact NH1-OD2 2.73Å; R745-D752 IonicContact NH2-OD2 2.72Å; R745-D752 PolarHBondContact NH2-OD2 3.03Å; R745-Y754 PolarHBondContact O-OH 2.84Å; R745-Y754 VanDerWaalsContact O-OH 3.1Å
746C88.2Confident87Confident22 Ų2269.7 Ų69.715%0.14940%0.402CS..  trans-75.4125.8-179.9-177.50000111.6R665 A748 C749 N750 S751 Y754 C810R665-C746 WeakPolarHBondContact CD-O 3.29Å; C746-A748 PolarHBondContact O-N 3.17Å; C746-A748 VanDerWaalsContact O-N 3.17Å; C746-A748 PolarHBondContact SG-N 3.02Å; C746-C749 VanDerWaalsContact CB-SG 3.6Å; C746-N750 VanDerWaalsContact O-CA 3.23Å; C746-N750 WeakPolarHBondContact O-CA 3.33Å; C746-N750 PolarHBondContact O-N 3.22Å; C746-S751 PolarHBondContact N-O 2.91Å; C746-Y754 VanDerWaalsContact CA-OH 3.28Å; C746-Y754 WeakPolarHBondContact CA-OH 3.31Å; C746-Y754 PolarHBondContact N-OH 2.66Å; C746-C810 WeakPolarHBondContact CB-SG 3.32Å
747Q88.5Confident86.7Confident80 Ų8065.9 Ų65.937%0.37439%0.385SS..THydrogen-bonded Turntrans-59.9-29177.3-64.8179.651.400113.2R665 C666R665-Q747 PolarHBondContact NH1-O 2.83Å; C666-Q747 WeakPolarHBondContact SG-CG 3.32Å; C666-Q747 PolarHBondContact SG-NE2 3.33Å
748A83.2Confident86.6Confident84 Ų8466.9 Ų66.969%0.69439%0.392SS*.THydrogen-bonded Turntrans-85.9-59.2-177.300000112.5R665 C746R665-A748 PolarHBondContact NH1-O 3.39Å; C746-A748 PolarHBondContact O-N 3.17Å; C746-A748 VanDerWaalsContact O-N 3.17Å; C746-A748 PolarHBondContact SG-N 3.02Å
749C86.2Confident86.1Confident74 Ų7472.6 Ų72.650%0.541%0.406SS..THydrogen-bonded Turntrans-101.3-0.9-173.365.90000115C746 S751C746-C749 VanDerWaalsContact CB-SG 3.6Å; C749-S751 PolarHBondContact O-N 3.38Å; C749-S751 VanDerWaalsContact O-N 3.11Å; C749-S751 VanDerWaalsContact SG-CB 3.59Å
750N90.8Very high85.8Confident19 Ų1969.9 Ų69.910%0.10239%0.393CS..  trans65.8-0.8-176.9-15742.1000115.9R665 D670 V671 R745 C746R665-N750 WeakPolarHBondContact CG-OD1 3.29Å; R665-N750 PolarHBondContact NE-OD1 2.94Å; D670-N750 PolarHBondContact OD1-ND2 3.47Å; V671-N750 PolarHBondContact N-ND2 3.07Å; V671-N750 PolarHBondContact N-OD1 3.39Å; V671-N750 VanDerWaalsContact N-OD1 3.15Å; V671-N750 VanDerWaalsContact O-CG 3.24Å; V671-N750 PolarHBondContact O-ND2 3.27Å; V671-N750 PolarHBondContact O-OD1 2.99Å; R745-N750 PolarHBondContact NH1-O 3.34Å; C746-N750 VanDerWaalsContact O-CA 3.23Å; C746-N750 WeakPolarHBondContact O-CA 3.33Å; C746-N750 PolarHBondContact O-N 3.22Å
751S87.4Confident85.7Confident30 Ų3069.2 Ų69.221%0.2138%0.382CS..  trans-62.7138.4177.8-1740000111.5R745 C746 C749 E753R745-S751 CarbonylContact C-O 3.56Å; R745-S751 WeakPolarHBondContact CA-O 3.31Å; C746-S751 PolarHBondContact N-O 2.91Å; C749-S751 PolarHBondContact O-N 3.38Å; C749-S751 VanDerWaalsContact O-N 3.11Å; C749-S751 VanDerWaalsContact SG-CB 3.59Å; S751-E753 PolarHBondContact OG-N 3.32Å; S751-E753 VanDerWaalsContact OG-N 3.14Å
752D87.6Confident85.4Confident84 Ų8470.7 Ų70.745%0.44939%0.389SS..  trans-95-4.5169.244.17000112.8S744 R745S744-D752 VanDerWaalsContact O-CA 3.32Å; S744-D752 WeakPolarHBondContact O-CA 3.39Å; S744-D752 WeakPolarHBondContact O-CB 3.37Å; R745-D752 HydrophobicContact CG-CB 3.9Å; R745-D752 IonicContact CZ-OD2 3.94Å; R745-D752 VanDerWaalsContact CZ-OD2 3.29Å; R745-D752 IonicContact NH1-OD1 3.8Å; R745-D752 IonicContact NH1-OD2 2.66Å; R745-D752 PolarHBondContact NH1-OD2 2.73Å; R745-D752 IonicContact NH2-OD2 2.72Å; R745-D752 PolarHBondContact NH2-OD2 3.03Å
753E85.7Confident85Confident128 Ų12869.7 Ų69.760%0.59838%0.382SS*.  trans-89.7125.2175.7-64.6-171.7175.400111.1S751S751-E753 PolarHBondContact OG-N 3.32Å; S751-E753 VanDerWaalsContact OG-N 3.14Å
754Y81.5Confident84.6Confident56 Ų5667.7 Ų67.722%0.2238%0.379CS..EExtended strand (participates in β ladder)trans-129.3134.4-179.9-73.5-78.8000110.3F743 R745 C746 K808 C810F743-Y754 WeakPolarHBondContact O-CE2 3.32Å; F743-Y754 PolarHBondContact O-OH 3.4Å; R745-Y754 PolarHBondContact O-OH 2.84Å; R745-Y754 VanDerWaalsContact O-OH 3.1Å; C746-Y754 VanDerWaalsContact CA-OH 3.28Å; C746-Y754 WeakPolarHBondContact CA-OH 3.31Å; C746-Y754 PolarHBondContact N-OH 2.66Å; Y754-K808 HydrophobicContact CD1-CB 3.36Å; Y754-K808 HydrophobicContact CD1-CD 3.95Å; Y754-K808 HydrophobicContact CD1-CG 4.26Å; Y754-K808 HydrophobicContact CD2-CD 4.02Å; Y754-K808 HydrophobicContact CE1-CB 4.04Å; Y754-K808 HydrophobicContact CG-CB 3.83Å; Y754-K808 HydrophobicContact CG-CD 3.61Å; Y754-K808 HydrophobicContact CG-CG 4.28Å; Y754-C810 WeakPolarHBondContact CE1-SG 3.07Å
755V81.3Confident83.9Confident67 Ų6771 Ų7141%0.40639%0.394SS..EExtended strand (participates in β ladder)trans-100.4133.1171.7-178.70000108.7I757 S809 T811V755-I757 HydrophobicContact CB-CG1 4.39Å; V755-I757 HydrophobicContact CG1-CG1 3.92Å; V755-I757 PolarHBondContact O-N 2.91Å; V755-S809 PolarHBondContact N-O 3.37Å; V755-S809 PolarHBondContact O-N 3.13Å; V755-T811 HydrophobicContact CG2-CG2 3.67Å
756S77.8Confident83Confident101 Ų10173 Ų7371%0.70641%0.406SS*.  trans-80.1109.9168.9-177.30000108.2
757I82.8Confident82.5Confident41 Ų4177.1 Ų77.121%0.2142%0.421CS..  trans-107.1132.5177.6-57.6-170.9000108.6V755 D761 M762 M765 S809V755-I757 HydrophobicContact CB-CG1 4.39Å; V755-I757 HydrophobicContact CG1-CG1 3.92Å; V755-I757 PolarHBondContact O-N 2.91Å; I757-D761 HydrophobicContact CG2-CB 3.65Å; I757-M762 HydrophobicContact CB-CE 4.16Å; I757-M762 HydrophobicContact CG2-CB 4.37Å; I757-M765 HydrophobicContact CD1-SD 4.26Å; I757-S809 WeakPolarHBondContact CD1-OG 3.3Å; I757-S809 WeakPolarHBondContact CG1-OG 3.4Å
758P87.6Confident81.7Confident78 Ų7880.8 Ų80.851%0.50644%0.438SS..  trans-53.5141.6170.7-25.334.7000111.6A760 D761 M762P758-A760 PolarHBondContact O-N 3.05Å; P758-A760 VanDerWaalsContact O-N 3.15Å; P758-D761 WeakPolarHBondContact CD-OD2 3.44Å; P758-D761 WeakPolarHBondContact CG-OD2 3.35Å; P758-D761 PolarHBondContact O-N 3.27Å; P758-M762 PolarHBondContact O-N 3.16Å; P758-M762 VanDerWaalsContact O-N 3.09Å
759R78.1Confident81Confident184 Ų18484.2 Ų84.269%0.69444%0.438SS*.Hα-helixtrans-53.8-39.5-177.4179.8177173.2171.6-2113D761 M762 E763R759-D761 PolarHBondContact O-N 3.02Å; R759-M762 PolarHBondContact O-N 3.25Å; R759-E763 HydrophobicContact CG-CG 4.37Å; R759-E763 WeakPolarHBondContact CG-OE1 3.35Å; R759-E763 IonicContact CZ-OE1 2.99Å; R759-E763 IonicContact NE-OE1 3.29Å; R759-E763 PolarHBondContact NE-OE1 3.03Å; R759-E763 IonicContact NH2-OE1 2.88Å; R759-E763 PolarHBondContact NH2-OE1 2.86Å; R759-E763 WeakPolarHBondContact O-CB 3.35Å; R759-E763 WeakPolarHBondContact O-CG 3.36Å; R759-E763 PolarHBondContact O-N 3.15Å
760A81.9Confident79.9Confident58 Ų5883.6 Ų83.648%0.47944%0.444SS..Hα-helixtrans-62.2-41.4179.500000112.5P758 E763 T764P758-A760 PolarHBondContact O-N 3.05Å; P758-A760 VanDerWaalsContact O-N 3.15Å; A760-E763 PolarHBondContact O-N 2.8Å; A760-T764 WeakPolarHBondContact O-CB 3.45Å; A760-T764 PolarHBondContact O-N 3.44Å; A760-T764 PolarHBondContact O-OG1 3.26Å
761D84.4Confident78.2Confident82 Ų8289.6 Ų89.644%0.43947%0.47SS..Hα-helixtrans-70.2-40178.6-57.8-24.5000110.3I757 P758 R759 E763 T764 M765I757-D761 HydrophobicContact CG2-CB 3.65Å; P758-D761 WeakPolarHBondContact CD-OD2 3.44Å; P758-D761 WeakPolarHBondContact CG-OD2 3.35Å; P758-D761 PolarHBondContact O-N 3.27Å; R759-D761 PolarHBondContact O-N 3.02Å; D761-E763 PolarHBondContact O-N 3.26Å; D761-T764 WeakPolarHBondContact O-CB 3.28Å; D761-T764 PolarHBondContact O-N 3.36Å; D761-M765 VanDerWaalsContact O-CG 3.27Å; D761-M765 WeakPolarHBondContact O-CG 3.39Å; D761-M765 PolarHBondContact O-N 3.28Å
762M81.8Confident76.8Confident45 Ų4591.6 Ų91.622%0.22248%0.478CS..Hα-helixtrans-63.9-41.4175.4-171.6170.7-66.200112.2I757 P758 R759 T764 M765 L766I757-M762 HydrophobicContact CB-CE 4.16Å; I757-M762 HydrophobicContact CG2-CB 4.37Å; P758-M762 PolarHBondContact O-N 3.16Å; P758-M762 VanDerWaalsContact O-N 3.09Å; R759-M762 PolarHBondContact O-N 3.25Å; M762-T764 VanDerWaalsContact C-N 3.33Å; M762-M765 PolarHBondContact O-N 3.38Å; M762-L766 HydrophobicContact CG-CD1 4.14Å; M762-L766 WeakPolarHBondContact O-CB 3.43Å; M762-L766 WeakPolarHBondContact O-CG 3.2Å; M762-L766 PolarHBondContact O-N 2.83Å
763E79.8Confident75.2Confident69 Ų6995.3 Ų95.332%0.32249%0.492SS..Hα-helixtrans-63.1-39.8173.9-75.5174.4-176.200111.3R759 A760 D761 L766 K767 L772R759-E763 HydrophobicContact CG-CG 4.37Å; R759-E763 WeakPolarHBondContact CG-OE1 3.35Å; R759-E763 IonicContact CZ-OE1 2.99Å; R759-E763 IonicContact NE-OE1 3.29Å; R759-E763 PolarHBondContact NE-OE1 3.03Å; R759-E763 IonicContact NH2-OE1 2.88Å; R759-E763 PolarHBondContact NH2-OE1 2.86Å; R759-E763 WeakPolarHBondContact O-CB 3.35Å; R759-E763 WeakPolarHBondContact O-CG 3.36Å; R759-E763 PolarHBondContact O-N 3.15Å; A760-E763 PolarHBondContact O-N 2.8Å; D761-E763 PolarHBondContact O-N 3.26Å; E763-L766 PolarHBondContact O-N 2.88Å; E763-K767 WeakPolarHBondContact O-CB 3.41Å; E763-K767 VanDerWaalsContact O-CG 3.29Å; E763-K767 WeakPolarHBondContact O-CG 3.22Å; E763-K767 PolarHBondContact O-N 3.33Å; E763-L772 HydrophobicContact CB-CD1 4.32Å; E763-L772 HydrophobicContact CG-CD1 4.37Å
764T81Confident73.3Confident71 Ų7196.1 Ų96.144%0.43650%0.501SS..Hα-helixtrans-63.1-49.3175.6-560000111.2A760 D761 M762 L766 K767 E768A760-T764 WeakPolarHBondContact O-CB 3.45Å; A760-T764 PolarHBondContact O-N 3.44Å; A760-T764 PolarHBondContact O-OG1 3.26Å; D761-T764 WeakPolarHBondContact O-CB 3.28Å; D761-T764 PolarHBondContact O-N 3.36Å; M762-T764 VanDerWaalsContact C-N 3.33Å; T764-L766 VanDerWaalsContact C-N 3.31Å; T764-L766 PolarHBondContact O-N 3.5Å; T764-K767 WeakPolarHBondContact O-CB 2.97Å; T764-K767 PolarHBondContact O-N 3.45Å; T764-K767 VanDerWaalsContact O-N 3.17Å; T764-E768 WeakPolarHBondContact O-CG 3.37Å; T764-E768 PolarHBondContact O-N 2.91Å
765M74.9Confident71.3Confident93 Ų93101.1 Ų101.146%0.45853%0.526SS..Hα-helixtrans-62.3-36177.6-67.4175.483.600112.7I757 D761 M762 K769I757-M765 HydrophobicContact CD1-SD 4.26Å; D761-M765 VanDerWaalsContact O-CG 3.27Å; D761-M765 WeakPolarHBondContact O-CG 3.39Å; D761-M765 PolarHBondContact O-N 3.28Å; M762-M765 PolarHBondContact O-N 3.38Å; M765-K769 WeakPolarHBondContact O-CB 3.27Å; M765-K769 PolarHBondContact O-N 2.87Å; M765-K769 VanDerWaalsContact O-N 3.14Å
766L72.1Confident69.1Low66 Ų66102.7 Ų102.735%0.34654%0.539SS..Hα-helixtrans-71.6-35176.3-73.6171.4000112.1M762 E763 T764 G770 F771 L772M762-L766 HydrophobicContact CG-CD1 4.14Å; M762-L766 WeakPolarHBondContact O-CB 3.43Å; M762-L766 WeakPolarHBondContact O-CG 3.2Å; M762-L766 PolarHBondContact O-N 2.83Å; E763-L766 PolarHBondContact O-N 2.88Å; T764-L766 VanDerWaalsContact C-N 3.31Å; T764-L766 PolarHBondContact O-N 3.5Å; L766-G770 PolarHBondContact O-N 3.4Å; L766-F771 HydrophobicContact CB-CB 4.37Å; L766-F771 HydrophobicContact CD2-CB 3.96Å; L766-F771 HydrophobicContact CD2-CD2 4.18Å; L766-F771 HydrophobicContact CD2-CG 4.31Å; L766-F771 PolarHBondContact O-N 3.37Å; L766-L772 HydrophobicContact CB-CD1 3.66Å; L766-L772 HydrophobicContact CB-CG 3.94Å; L766-L772 HydrophobicContact CD1-CD1 4.26Å; L766-L772 PolarHBondContact O-N 3.13Å
767K77.4Confident67.1Low109 Ų109104.8 Ų104.847%0.47455%0.548SS..Hα-helixtrans-65.5-48.1171.9-75.7176.1-178.8-174.90111.6E763 T764 K769 G770 L772E763-K767 WeakPolarHBondContact O-CB 3.41Å; E763-K767 VanDerWaalsContact O-CG 3.29Å; E763-K767 WeakPolarHBondContact O-CG 3.22Å; E763-K767 PolarHBondContact O-N 3.33Å; T764-K767 WeakPolarHBondContact O-CB 2.97Å; T764-K767 PolarHBondContact O-N 3.45Å; T764-K767 VanDerWaalsContact O-N 3.17Å; K767-K769 PolarHBondContact O-N 3.17Å; K767-G770 PolarHBondContact O-N 3.14Å; K767-L772 HydrophobicContact CG-CB 3.72Å; K767-L772 HydrophobicContact CG-CD1 4.22Å
768E72.9Confident64.8Low157 Ų157107.5 Ų107.573%0.73457%0.571SS**Hα-helixtrans-59.9-34177.7-72.8178.5170.100112.9T764 G770T764-E768 WeakPolarHBondContact O-CG 3.37Å; T764-E768 PolarHBondContact O-N 2.91Å; E768-G770 VanDerWaalsContact C-N 3.32Å
769K67.8Low62.2Low156 Ų156109.3 Ų109.368%0.67858%0.576SS**THydrogen-bonded Turntrans-86.34.2175.4-70.7-168.8177.9-178.20114.3M765 K767 F771M765-K769 WeakPolarHBondContact O-CB 3.27Å; M765-K769 PolarHBondContact O-N 2.87Å; M765-K769 VanDerWaalsContact O-N 3.14Å; K767-K769 PolarHBondContact O-N 3.17Å; K769-F771 VanDerWaalsContact C-N 3.33Å; K769-F771 HydrophobicContact CB-CD2 3.59Å; K769-F771 HydrophobicContact CB-CE2 3.75Å; K769-F771 HydrophobicContact CD-CE2 4.41Å; K769-F771 PolarHBondContact O-N 3.28Å
770G62.6Low59.9Low62 Ų62111.3 Ų111.364%0.63959%0.586SS**THydrogen-bonded Turntrans72.219176.100000115.2L766 K767 E768L766-G770 PolarHBondContact O-N 3.4Å; K767-G770 PolarHBondContact O-N 3.14Å; E768-G770 VanDerWaalsContact C-N 3.32Å
771F56.7Low57.5Low145 Ų145117 Ų11764%0.63660%0.604SS**SBendtrans-87.1-15.9175.9-68.7-73.6000113.3L766 K769L766-F771 HydrophobicContact CB-CB 4.37Å; L766-F771 HydrophobicContact CD2-CB 3.96Å; L766-F771 HydrophobicContact CD2-CD2 4.18Å; L766-F771 HydrophobicContact CD2-CG 4.31Å; L766-F771 PolarHBondContact O-N 3.37Å; K769-F771 VanDerWaalsContact C-N 3.33Å; K769-F771 HydrophobicContact CB-CD2 3.59Å; K769-F771 HydrophobicContact CB-CE2 3.75Å; K769-F771 HydrophobicContact CD-CE2 4.41Å; K769-F771 PolarHBondContact O-N 3.28Å
772L56.4Low55Low72 Ų72119.6 Ų119.638%0.37762%0.618SS.*SBendtrans-120.7127.8171-69.1171.5000108.5E763 L766 K767E763-L772 HydrophobicContact CB-CD1 4.32Å; E763-L772 HydrophobicContact CG-CD1 4.37Å; L766-L772 HydrophobicContact CB-CD1 3.66Å; L766-L772 HydrophobicContact CB-CG 3.94Å; L766-L772 HydrophobicContact CD1-CD1 4.26Å; L766-L772 PolarHBondContact O-N 3.13Å; K767-L772 HydrophobicContact CG-CB 3.72Å; K767-L772 HydrophobicContact CG-CD1 4.22Å
773Q55.4Low52.5Low162 Ų162126 Ų12676%0.75765%0.647SS**  trans-84.5149174.4-72.7-179.9-4.600110.5H775Q773-H775 PolarHBondContact O-N 3.13Å
774D44.2Very low50.1Low145 Ų145132.2 Ų132.278%0.77567%0.673SS**  trans-64.899.1169.2-82.4-30.8000109.4S776D774-S776 PolarHBondContact O-N 3.04Å; D774-S776 VanDerWaalsContact O-N 3.14Å
775H41.1Very low47.6Very low161 Ų161133.7 Ų133.775%0.74569%0.686SS**  trans-7498.7158.1-72-67.6000107.1Q773 T777Q773-H775 PolarHBondContact O-N 3.13Å; H775-T777 PolarHBondContact O-N 2.93Å
776S34.6Very low45.4Very low99 Ų99135 Ų13569%0.69270%0.703SS**  trans-53.8132.7162.950.50000108.8D774 S778D774-S776 PolarHBondContact O-N 3.04Å; D774-S776 VanDerWaalsContact O-N 3.14Å; S776-S778 PolarHBondContact O-N 3.18Å
777T35.9Very low43.3Very low146 Ų146140.8 Ų140.890%0.89673%0.728SS**THydrogen-bonded Turntrans-55.589.6-178.67.50000111.4H775H775-T777 PolarHBondContact O-N 2.93Å
778S33.6Very low41.1Very low98 Ų98144.4 Ų144.469%0.68575%0.747SS**THydrogen-bonded Turntrans-145.4-14.2158.386.60000114.9S776S776-S778 PolarHBondContact O-N 3.18Å
779D33.2Very low39.1Very low116 Ų116145.6 Ų145.662%0.6275%0.752SS**  trans-91.13.7-176.9-80.4-28.7000115.5M781 L782D779-M781 PolarHBondContact O-N 3.04Å; D779-L782 PolarHBondContact O-N 3.26Å
780Y30.8Very low37.2Very low226 Ų226147.6 Ų147.689%0.88676%0.764SS**THydrogen-bonded Turntrans-73.24.2-176.3-147-97.3000114.9
781M30.7Very low35.6Very low178 Ų178153 Ų15388%0.87778%0.777SS**THydrogen-bonded Turntrans-106.5-8.3178.7-77.1-92.9-168.500114.2D779D779-M781 PolarHBondContact O-N 3.04Å
782L31.9Very low34.3Very low136 Ų136157.8 Ų157.871%0.71279%0.791SS**THydrogen-bonded Turntrans-104.3-13-176-104100.3000116D779 S785D779-L782 PolarHBondContact O-N 3.26Å; L782-S785 PolarHBondContact O-OG 3.1Å
783E30.1Very low33.2Very low178 Ų178159.8 Ų159.883%0.83281%0.809SS**G310 helixtrans-90.1-0.8-177.9-82-172.3154.100115
784K27.8Very low31.9Very low201 Ų201159.3 Ų159.387%0.87481%0.811SS**G310 helixtrans-86.7-1.8177-100.5-172177.5-176.10115.4
785S29.3Very low31.1Very low102 Ų102159.1 Ų159.171%0.71381%0.81SS**G310 helixtrans-97.82.9-17856.30000115.1L782L782-S785 PolarHBondContact O-OG 3.1Å
786C28.3Very low30.5Very low119 Ų119157.9 Ų157.980%0.80481%0.814SS**SBendtrans-119.516.5-174.7-107.60000115.9
787Q29.4Very low30.2Very low188 Ų188160.7 Ų160.788%0.87982%0.821SS**SBendtrans-132.226.6176.2-69.8-168.3-2.600114.8
788Q30.7Very low29.8Very low185 Ų185160.5 Ų160.586%0.86482%0.819SS**  trans-121.276.4166.7-81.1-173.7-1200109.8
789E31.5Very low29.5Very low182 Ų182161.2 Ų161.285%0.8582%0.821SS**  trans-169.387.5155.5-110.8171-158.400109
790E27.8Very low29.3Very low199 Ų199160.6 Ų160.693%0.9383%0.826SS**  trans-179.682.4142.2-101.3-179.8-170.500109.2
791L29.4Very low29.2Very low175 Ų175155.9 Ų155.992%0.91682%0.821SS**  trans-135.7108159.8-98.4151.3000106.6
792R27.6Very low28.9Very low245 Ų245154.3 Ų154.393%0.92582%0.821SS**  trans-120142.3152.5-80.6-166.5-178.9-176.42.7109.2
793P34.1Very low28.7Very low115 Ų115155.2 Ų155.275%0.74783%0.826SS**  trans-97140.8-170.436.3-28.3000112.1
794D27.1Very low28.6Very low152 Ų152155.3 Ų155.381%0.81383%0.827SS**  -170.8118127.9-115.1-10.6000112.6
795D28.4Very low28.5Very low141 Ų141151.1 Ų151.175%0.75482%0.82SS**  trans17.2119.8150.9-67.5-18.1000122.6
796T27.3Very low28.6Very low135 Ų135150.5 Ų150.583%0.82881%0.813SS**  -177.1117.989.711.20000113.6
797L30.1Very low29.2Very low158 Ų158154.6 Ų154.683%0.82781%0.812SS**  trans24113.1147.7-69.4155.4000121.4
798T26.4Very low29.6Very low141 Ų141151 Ų15187%0.86579%0.794SS**  176.7156.4114.727.20000112.3
799P27.7Very low30Very low113 Ų113143.9 Ų143.973%0.73476%0.764SS**  trans-90.4147.3-145.234.5-35000116.8
800S29.8Very low30.2Very low103 Ų103137.2 Ų137.272%0.7274%0.737SS**  trans-8.9128.3157.357.50000119.6
801V27.6Very low30.7Very low127 Ų127134.6 Ų134.677%0.7774%0.735SS**  -157.5107.4117.6-1790000108.1L803V801-L803 HydrophobicContact CG1-CD1 4.31Å; V801-L803 HydrophobicContact CG1-CG 4.42Å
802T25.5Very low30.7Very low145 Ų145132.6 Ų132.689%0.8973%0.725SS**  trans-11899.2163.44.80000108E804T802-E804 PolarHBondContact O-N 3.38Å
803L27Very low30.9Very low155 Ų155126.6 Ų126.681%0.81272%0.715SS**PPolyproline II helixtrans-70.9116.5164.9-85.4148.4000107.9V801V801-L803 HydrophobicContact CG1-CD1 4.31Å; V801-L803 HydrophobicContact CG1-CG 4.42Å
804E28.6Very low30.7Very low181 Ų181127.3 Ų127.385%0.84671%0.713SS**PPolyproline II helixtrans-61.4136.6161.8-76.9-169.1147.100109.3T802T802-E804 PolarHBondContact O-N 3.38Å
805P25.9Very low30.9Very low112 Ų112125.8 Ų125.873%0.72771%0.707SS**PPolyproline II helixtrans-71.5136.7179.327.7-31.5000110.6
806P29.7Very low31.1Very low89 Ų89124.9 Ų124.958%0.57870%0.704SS**PPolyproline II helixtrans-67.1136.2177.726.4-31.9000110.7K808P806-K808 PolarHBondContact O-N 3.41Å
807R42.3Very low31.4Very low206 Ų206124.2 Ų124.278%0.77770%0.696SS**  trans-79.9109.3172.2-65.4-177.6-176.1-177.21.6108.6
808K37.8Very low31.4Very low113 Ų113121.8 Ų121.849%0.49169%0.687SS.*  trans-96.4144.1-174-62.3175.6176-174.50111.6Y754 P806Y754-K808 HydrophobicContact CD1-CB 3.36Å; Y754-K808 HydrophobicContact CD1-CD 3.95Å; Y754-K808 HydrophobicContact CD1-CG 4.26Å; Y754-K808 HydrophobicContact CD2-CD 4.02Å; Y754-K808 HydrophobicContact CE1-CB 4.04Å; Y754-K808 HydrophobicContact CG-CB 3.83Å; Y754-K808 HydrophobicContact CG-CD 3.61Å; Y754-K808 HydrophobicContact CG-CG 4.28Å; P806-K808 PolarHBondContact O-N 3.41Å
809S38.2Very low31.8Very low34 Ų34120.3 Ų120.324%0.23867%0.673CS.*EExtended strand (participates in β ladder)trans-111.1147.2166.265.50000111V755 I757V755-S809 PolarHBondContact N-O 3.37Å; V755-S809 PolarHBondContact O-N 3.13Å; I757-S809 WeakPolarHBondContact CD1-OG 3.3Å; I757-S809 WeakPolarHBondContact CG1-OG 3.4Å
810C36.8Very low32.2Very low43 Ų43120.9 Ų120.929%0.29167%0.668SS.*EExtended strand (participates in β ladder)trans-86.4146.2174.7-64.40000111.3C746 Y754C746-C810 WeakPolarHBondContact CB-SG 3.32Å; Y754-C810 WeakPolarHBondContact CE1-SG 3.07Å
811T36.9Very low32.4Very low143 Ų143122.5 Ų122.588%0.87766%0.663SS**  trans-69.1016928.40000112.7V755V755-T811 HydrophobicContact CG2-CG2 3.67Å

Retrieved 811 of 811 residues in 1477.8 ms (Link to these results)

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