A0A087XGE9_POEFO Loading...

3',5'-cyclic-GMP phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087XGE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 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
1C52.4Low77.2Confident137 Ų137110 Ų11093%0.92656%0.564SS**  0149.70-730000109.2
2S73.1Confident77.8Confident51 Ų51103.9 Ų103.936%0.35753%0.533SS..  trans-69144.5169.4500000109.1E4 N5S2-E4 PolarHBondContact O-N 2.82Å; S2-N5 WeakPolarHBondContact O-CB 3.49Å; S2-N5 PolarHBondContact O-N 3.44Å; S2-N5 PolarHBondContact OG-ND2 3.17Å; S2-N5 PolarHBondContact OG-OD1 3.03Å; S2-N5 VanDerWaalsContact OG-OD1 3.07Å
3P75.1Confident78.3Confident101 Ų101105 Ų10566%0.65654%0.541SS*.Hα-helixtrans-62.2-14.6178.123.4-32.8000113.4R7P3-R7 WeakPolarHBondContact O-CG 3.36Å; P3-R7 PolarHBondContact O-N 2.84Å
4E77.6Confident79.1Confident154 Ų154107.2 Ų107.272%0.7255%0.554SS**Hα-helixtrans-76-34.9173.9-158.7168.1-163.600112.1S2 R7 M8S2-E4 PolarHBondContact O-N 2.82Å; E4-R7 PolarHBondContact O-N 3.07Å; E4-M8 WeakPolarHBondContact O-CB 3.35Å; E4-M8 PolarHBondContact O-N 3.07Å; E4-M8 VanDerWaalsContact O-N 3.08Å
5N71.8Confident79.6Confident67 Ų67105.5 Ų105.536%0.35854%0.543SS..Hα-helixtrans-68.6-42.2176.1-70.86.6000111.3S2 R7 M8 E9S2-N5 WeakPolarHBondContact O-CB 3.49Å; S2-N5 PolarHBondContact O-N 3.44Å; S2-N5 PolarHBondContact OG-ND2 3.17Å; S2-N5 PolarHBondContact OG-OD1 3.03Å; S2-N5 VanDerWaalsContact OG-OD1 3.07Å; N5-R7 VanDerWaalsContact C-N 3.31Å; N5-R7 PolarHBondContact O-N 3.07Å; N5-M8 PolarHBondContact O-N 3.23Å; N5-E9 WeakPolarHBondContact O-CG 3.09Å; N5-E9 PolarHBondContact O-N 3.35Å
6E77.4Confident79.4Confident116 Ų116107 Ų10754%0.54255%0.551SS.*Hα-helixtrans-64.4-35.9178.5-71.9173.7-172.200112A10E6-A10 WeakPolarHBondContact O-CB 3.46Å; E6-A10 PolarHBondContact O-N 2.8Å
7R83Confident79.2Confident202 Ų202111.2 Ų111.276%0.76257%0.567SS**Hα-helixtrans-68.4-38.1173.8-77.6-180174.2-174.7-1.2112.6P3 E4 N5 W11P3-R7 WeakPolarHBondContact O-CG 3.36Å; P3-R7 PolarHBondContact O-N 2.84Å; E4-R7 PolarHBondContact O-N 3.07Å; N5-R7 VanDerWaalsContact C-N 3.31Å; N5-R7 PolarHBondContact O-N 3.07Å; R7-W11 WeakPolarHBondContact O-CB 3.2Å; R7-W11 PolarHBondContact O-N 3.46Å; R7-W11 VanDerWaalsContact O-N 3.07Å
8M80.9Confident79.6Confident106 Ų106110.7 Ų110.752%0.52256%0.561SS.*Hα-helixtrans-68.5-42.6176.6-176.3175.363.300111.2E4 N5 W11 L12E4-M8 WeakPolarHBondContact O-CB 3.35Å; E4-M8 PolarHBondContact O-N 3.07Å; E4-M8 VanDerWaalsContact O-N 3.08Å; N5-M8 PolarHBondContact O-N 3.23Å; M8-W11 PolarHBondContact O-N 3.06Å; M8-L12 HydrophobicContact CG-CD1 4.2Å; M8-L12 VanDerWaalsContact O-CG 3.29Å; M8-L12 WeakPolarHBondContact O-CG 3.37Å; M8-L12 PolarHBondContact O-N 3.23Å
9E82.4Confident79.7Confident108 Ų108106.1 Ų106.151%0.50554%0.539SS..Hα-helixtrans-60.5-50.6175.3-75.8175.8-178.300111.2N5 W11 L12 D13N5-E9 WeakPolarHBondContact O-CG 3.09Å; N5-E9 PolarHBondContact O-N 3.35Å; E9-W11 VanDerWaalsContact C-N 3.25Å; E9-W11 PolarHBondContact O-N 3.31Å; E9-L12 PolarHBondContact O-N 3.36Å; E9-L12 VanDerWaalsContact O-N 3.09Å; E9-D13 PolarHBondContact O-N 2.76Å
10A84.4Confident79.1Confident50 Ų50107.5 Ų107.541%0.41354%0.543SS..Hα-helixtrans-58.7-37.3176.600000112.7E6 D14E6-A10 WeakPolarHBondContact O-CB 3.46Å; E6-A10 PolarHBondContact O-N 2.8Å; A10-D14 PolarHBondContact O-N 3.49Å; A10-D14 VanDerWaalsContact O-N 3.15Å
11W90.6Very high78.6Confident118 Ų118104.6 Ų104.645%0.44753%0.532SS..Hα-helixtrans-69.4-39.2176.5-173.788.8000112.5R7 M8 E9 D13 D14 H15 F18R7-W11 WeakPolarHBondContact O-CB 3.2Å; R7-W11 PolarHBondContact O-N 3.46Å; R7-W11 VanDerWaalsContact O-N 3.07Å; M8-W11 PolarHBondContact O-N 3.06Å; E9-W11 VanDerWaalsContact C-N 3.25Å; E9-W11 PolarHBondContact O-N 3.31Å; W11-D13 VanDerWaalsContact C-N 3.34Å; W11-D14 PolarHBondContact O-N 3.41Å; W11-H15 AromaticContact CD1-CE1 3.67Å; W11-H15 AromaticContact CD1-ND1 3.84Å; W11-H15 AromaticContact CD2-ND1 3.79Å; W11-H15 AromaticContact CE2-CE1 3.65Å; W11-H15 AromaticContact CE2-CG 3.94Å; W11-H15 AromaticContact CE2-ND1 3.56Å; W11-H15 AromaticContact CG-ND1 3.98Å; W11-H15 HydrophobicContact CH2-CB 4.35Å; W11-H15 HydrophobicContact CZ2-CB 4.49Å; W11-H15 AromaticContact CZ2-CD2 3.96Å; W11-H15 AromaticContact CZ2-CG 3.92Å; W11-H15 HydrophobicContact CZ3-CB 4.41Å; W11-H15 AromaticContact NE1-CE1 3.27Å; W11-H15 PolarHBondContact NE1-CE1 3.1Å; W11-H15 VanDerWaalsContact NE1-CE1 3.27Å; W11-H15 AromaticContact NE1-ND1 3.6Å; W11-H15 AromaticContact NE1-NE2 3.81Å; W11-H15 PolarHBondContact O-N 2.96Å; W11-H15 PolarHBondContact O-ND1 2.7Å; W11-F18 AromaticContact CH2-CD1 3.68Å; W11-F18 HydrophobicContact CH2-CD1 3.68Å; W11-F18 AromaticContact CH2-CE1 3.84Å; W11-F18 HydrophobicContact CH2-CE1 3.84Å; W11-F18 HydrophobicContact CH2-CG 4.14Å; W11-F18 HydrophobicContact CH2-CZ 4.41Å; W11-F18 AromaticContact CZ3-CD1 3.54Å; W11-F18 HydrophobicContact CZ3-CD1 3.54Å; W11-F18 AromaticContact CZ3-CE1 3.6Å; W11-F18 HydrophobicContact CZ3-CE1 3.6Å; W11-F18 HydrophobicContact CZ3-CG 4.42Å
12L84.8Confident79.7Confident37 Ų37103.5 Ų103.519%0.19451%0.51CS..Hα-helixtrans-67-35.6176.6-72.1170.5000112M8 E9 H15 F18 T19M8-L12 HydrophobicContact CG-CD1 4.2Å; M8-L12 VanDerWaalsContact O-CG 3.29Å; M8-L12 WeakPolarHBondContact O-CG 3.37Å; M8-L12 PolarHBondContact O-N 3.23Å; E9-L12 PolarHBondContact O-N 3.36Å; E9-L12 VanDerWaalsContact O-N 3.09Å; L12-H15 CarbonylContact O-C 3.57Å; L12-H15 PolarHBondContact O-N 2.84Å; L12-F18 HydrophobicContact CD2-CD1 4.48Å; L12-F18 HydrophobicContact CD2-CE1 4.45Å; L12-T19 HydrophobicContact CB-CG2 4.38Å; L12-T19 HydrophobicContact CD2-CG2 4.33Å; L12-T19 WeakPolarHBondContact CD2-OG1 3.49Å; L12-T19 PolarHBondContact O-OG1 3.06Å
13D84.2Confident79.9Confident118 Ų118105.7 Ų105.763%0.63151%0.513SS*.Hα-helixtrans-66.6-38175.4-72.2-18.2000111.6E9 W11 H15E9-D13 PolarHBondContact O-N 2.76Å; W11-D13 VanDerWaalsContact C-N 3.34Å; D13-H15 VanDerWaalsContact C-N 3.3Å; D13-H15 PolarHBondContact O-N 2.95Å
14D89.4Confident79.6Confident136 Ų136105.9 Ų105.973%0.72751%0.512SS*.Hα-helixtrans-74.5-16.8176-80-13.6000113.5A10 W11A10-D14 PolarHBondContact O-N 3.49Å; A10-D14 VanDerWaalsContact O-N 3.15Å; W11-D14 PolarHBondContact O-N 3.41Å
15H87.1Confident79.1Confident82 Ų82106.2 Ų106.238%0.3851%0.511SS..THydrogen-bonded Turntrans-12154.2-174.7-63.377.3000112.8W11 L12 D13 E17 F18 T19W11-H15 AromaticContact CD1-CE1 3.67Å; W11-H15 AromaticContact CD1-ND1 3.84Å; W11-H15 AromaticContact CD2-ND1 3.79Å; W11-H15 AromaticContact CE2-CE1 3.65Å; W11-H15 AromaticContact CE2-CG 3.94Å; W11-H15 AromaticContact CE2-ND1 3.56Å; W11-H15 AromaticContact CG-ND1 3.98Å; W11-H15 HydrophobicContact CH2-CB 4.35Å; W11-H15 HydrophobicContact CZ2-CB 4.49Å; W11-H15 AromaticContact CZ2-CD2 3.96Å; W11-H15 AromaticContact CZ2-CG 3.92Å; W11-H15 HydrophobicContact CZ3-CB 4.41Å; W11-H15 AromaticContact NE1-CE1 3.27Å; W11-H15 PolarHBondContact NE1-CE1 3.1Å; W11-H15 VanDerWaalsContact NE1-CE1 3.27Å; W11-H15 AromaticContact NE1-ND1 3.6Å; W11-H15 AromaticContact NE1-NE2 3.81Å; W11-H15 PolarHBondContact O-N 2.96Å; W11-H15 PolarHBondContact O-ND1 2.7Å; L12-H15 CarbonylContact O-C 3.57Å; L12-H15 PolarHBondContact O-N 2.84Å; D13-H15 VanDerWaalsContact C-N 3.3Å; D13-H15 PolarHBondContact O-N 2.95Å; H15-E17 VanDerWaalsContact C-N 3.33Å; H15-E17 PolarHBondContact O-N 2.79Å; H15-F18 HydrophobicContact CB-CB 4.22Å; H15-F18 PolarHBondContact O-N 3.31Å; H15-T19 PolarHBondContact O-N 3.36Å; H15-T19 PolarHBondContact O-OG1 2.85Å; H15-T19 VanDerWaalsContact O-OG1 3.05Å
16L76.3Confident78.9Confident129 Ų129109.7 Ų109.768%0.67552%0.523SS*.Hα-helixtrans-50.7-42.3-174.8-68.5169.9000114.9T19 H20L16-T19 PolarHBondContact O-N 2.91Å; L16-H20 VanDerWaalsContact O-CB 3.29Å; L16-H20 WeakPolarHBondContact O-CB 3.37Å; L16-H20 PolarHBondContact O-N 3.33Å
17E75.9Confident78.1Confident178 Ų178105.9 Ų105.983%0.83251%0.511SS*.Hα-helixtrans-65.9-41.2179.4-74.7-166.5160.200112.6H15 S21H15-E17 VanDerWaalsContact C-N 3.33Å; H15-E17 PolarHBondContact O-N 2.79Å; E17-S21 PolarHBondContact O-N 3.01Å
18F86.3Confident77Confident103 Ų10398.4 Ų98.445%0.45249%0.49SS..Hα-helixtrans-66.2-47.4175.9172.9-92000110.2W11 L12 H15 H20 S21 Y22W11-F18 AromaticContact CH2-CD1 3.68Å; W11-F18 HydrophobicContact CH2-CD1 3.68Å; W11-F18 AromaticContact CH2-CE1 3.84Å; W11-F18 HydrophobicContact CH2-CE1 3.84Å; W11-F18 HydrophobicContact CH2-CG 4.14Å; W11-F18 HydrophobicContact CH2-CZ 4.41Å; W11-F18 AromaticContact CZ3-CD1 3.54Å; W11-F18 HydrophobicContact CZ3-CD1 3.54Å; W11-F18 AromaticContact CZ3-CE1 3.6Å; W11-F18 HydrophobicContact CZ3-CE1 3.6Å; W11-F18 HydrophobicContact CZ3-CG 4.42Å; L12-F18 HydrophobicContact CD2-CD1 4.48Å; L12-F18 HydrophobicContact CD2-CE1 4.45Å; H15-F18 HydrophobicContact CB-CB 4.22Å; H15-F18 PolarHBondContact O-N 3.31Å; F18-H20 VanDerWaalsContact C-N 3.34Å; F18-H20 PolarHBondContact O-N 3.25Å; F18-S21 PolarHBondContact O-N 3.17Å; F18-Y22 HydrophobicContact CE1-CD2 4.5Å; F18-Y22 HydrophobicContact CE1-CG 4.49Å; F18-Y22 HydrophobicContact CZ-CD2 4.2Å; F18-Y22 VanDerWaalsContact O-CB 3.23Å; F18-Y22 WeakPolarHBondContact O-CB 3.38Å; F18-Y22 PolarHBondContact O-N 2.85Å
19T81Confident75.6Confident22 Ų22101.4 Ų101.414%0.13550%0.495CS..Hα-helixtrans-56.7-48.6178.8-58.70000110.5L12 H15 L16 Y22 F23L12-T19 HydrophobicContact CB-CG2 4.38Å; L12-T19 HydrophobicContact CD2-CG2 4.33Å; L12-T19 WeakPolarHBondContact CD2-OG1 3.49Å; L12-T19 PolarHBondContact O-OG1 3.06Å; H15-T19 PolarHBondContact O-N 3.36Å; H15-T19 PolarHBondContact O-OG1 2.85Å; H15-T19 VanDerWaalsContact O-OG1 3.05Å; L16-T19 PolarHBondContact O-N 2.91Å; T19-Y22 PolarHBondContact O-N 3.16Å; T19-F23 HydrophobicContact CG2-CD2 3.73Å; T19-F23 HydrophobicContact CG2-CE2 3.69Å; T19-F23 VanDerWaalsContact O-CD2 3.22Å; T19-F23 WeakPolarHBondContact O-CD2 3.2Å; T19-F23 PolarHBondContact O-N 3.49Å
20H68.9Low74.1Confident135 Ų135102.4 Ų102.463%0.62550%0.5SS*.Hα-helixtrans-60.4-50.1175.8-175.5-95.5000112.1L16 F18 Y22 F23 V24L16-H20 VanDerWaalsContact O-CB 3.29Å; L16-H20 WeakPolarHBondContact O-CB 3.37Å; L16-H20 PolarHBondContact O-N 3.33Å; F18-H20 VanDerWaalsContact C-N 3.34Å; F18-H20 PolarHBondContact O-N 3.25Å; H20-Y22 VanDerWaalsContact C-N 3.27Å; H20-Y22 PolarHBondContact O-N 3.27Å; H20-F23 PolarHBondContact O-N 3.34Å; H20-V24 WeakPolarHBondContact O-CB 3.38Å; H20-V24 VanDerWaalsContact O-CG2 3.23Å; H20-V24 WeakPolarHBondContact O-CG2 3.22Å; H20-V24 PolarHBondContact O-N 2.71Å
21S69.1Low72.8Confident46 Ų46104.8 Ų104.832%0.32250%0.504SS..Hα-helixtrans-64-32.6178.3179.50000113E17 F18 K25E17-S21 PolarHBondContact O-N 3.01Å; F18-S21 PolarHBondContact O-N 3.17Å; S21-K25 WeakPolarHBondContact O-CB 3.35Å; S21-K25 WeakPolarHBondContact O-CD 3.39Å; S21-K25 VanDerWaalsContact O-CG 3.31Å; S21-K25 WeakPolarHBondContact O-CG 3.22Å; S21-K25 PolarHBondContact O-N 3.15Å; S21-K25 PolarHBondContact OG-NZ 3.16Å
22Y74.6Confident71.3Confident115 Ų115101 Ų10145%0.45149%0.494SS..Hα-helixtrans-69.8-50.1179.4-178.6-94.3000110.2F18 T19 H20 K25 K26F18-Y22 HydrophobicContact CE1-CD2 4.5Å; F18-Y22 HydrophobicContact CE1-CG 4.49Å; F18-Y22 HydrophobicContact CZ-CD2 4.2Å; F18-Y22 VanDerWaalsContact O-CB 3.23Å; F18-Y22 WeakPolarHBondContact O-CB 3.38Å; F18-Y22 PolarHBondContact O-N 2.85Å; T19-Y22 PolarHBondContact O-N 3.16Å; H20-Y22 VanDerWaalsContact C-N 3.27Å; H20-Y22 PolarHBondContact O-N 3.27Å; Y22-K25 PolarHBondContact O-N 2.96Å; Y22-K25 VanDerWaalsContact O-N 3.15Å; Y22-K26 HydrophobicContact CE1-CB 4.33Å; Y22-K26 HydrophobicContact CE2-CG 4.15Å; Y22-K26 WeakPolarHBondContact O-CB 3.48Å; Y22-K26 PolarHBondContact O-N 2.8Å
23F77.1Confident69.7Low97 Ų97101.6 Ų101.643%0.42550%0.497SS..Hα-helixtrans-64.7-40.5177.7-80.2-69.9000112.3T19 H20 K25 K26 A27T19-F23 HydrophobicContact CG2-CD2 3.73Å; T19-F23 HydrophobicContact CG2-CE2 3.69Å; T19-F23 VanDerWaalsContact O-CD2 3.22Å; T19-F23 WeakPolarHBondContact O-CD2 3.2Å; T19-F23 PolarHBondContact O-N 3.49Å; H20-F23 PolarHBondContact O-N 3.34Å; F23-K25 PolarHBondContact O-N 3.18Å; F23-K26 PolarHBondContact O-N 2.75Å; F23-A27 WeakPolarHBondContact O-CA 3.1Å; F23-A27 WeakPolarHBondContact O-CB 3.5Å; F23-A27 PolarHBondContact O-N 3.39Å
24V68.9Low68.1Low104 Ų10498.7 Ų98.763%0.6349%0.49SS*.Hα-helixtrans-59.7-31.9174.6170.70000112.4H20H20-V24 WeakPolarHBondContact O-CB 3.38Å; H20-V24 VanDerWaalsContact O-CG2 3.23Å; H20-V24 WeakPolarHBondContact O-CG2 3.22Å; H20-V24 PolarHBondContact O-N 2.71Å
25K67.4Low66.7Low162 Ų16297 Ų9770%0.70447%0.473SS*.Hα-helixtrans-89.6-25.4-179.1-74.3173.1-179.1159.30114.3S21 Y22 F23S21-K25 WeakPolarHBondContact O-CB 3.35Å; S21-K25 WeakPolarHBondContact O-CD 3.39Å; S21-K25 VanDerWaalsContact O-CG 3.31Å; S21-K25 WeakPolarHBondContact O-CG 3.22Å; S21-K25 PolarHBondContact O-N 3.15Å; S21-K25 PolarHBondContact OG-NZ 3.16Å; Y22-K25 PolarHBondContact O-N 2.96Å; Y22-K25 VanDerWaalsContact O-N 3.15Å; F23-K25 PolarHBondContact O-N 3.18Å
26K68.1Low65Low140 Ų14095 Ų9561%0.60946%0.464SS*.Hα-helixtrans-120.8-14.8-169.7-74.3-68.8-170.9176.30114.5Y22 F23 S28Y22-K26 HydrophobicContact CE1-CB 4.33Å; Y22-K26 HydrophobicContact CE2-CG 4.15Å; Y22-K26 WeakPolarHBondContact O-CB 3.48Å; Y22-K26 PolarHBondContact O-N 2.8Å; F23-K26 PolarHBondContact O-N 2.75Å; K26-S28 PolarHBondContact O-N 3.25Å
27A60.1Low63.8Low36 Ų3691.8 Ų91.830%0.29846%0.455SS..  trans-70.1113.817300000108.7F23 M31 V32F23-A27 WeakPolarHBondContact O-CA 3.1Å; F23-A27 WeakPolarHBondContact O-CB 3.5Å; F23-A27 PolarHBondContact O-N 3.39Å; A27-M31 HydrophobicContact CB-SD 4.42Å; A27-V32 HydrophobicContact CB-CG2 3.96Å
28S60.4Low62.4Low45 Ų4589.7 Ų89.732%0.31545%0.445SS..  trans-77.1158.4168.577.30000109.8K26 E30 M31 V32K26-S28 PolarHBondContact O-N 3.25Å; S28-E30 WeakPolarHBondContact CB-OE2 3.36Å; S28-E30 PolarHBondContact O-N 3.05Å; S28-E30 PolarHBondContact OG-N 2.79Å; S28-E30 PolarHBondContact OG-OE2 3.41Å; S28-M31 WeakPolarHBondContact O-CB 3.37Å; S28-M31 PolarHBondContact O-N 2.91Å; S28-M31 PolarHBondContact OG-N 3.36Å; S28-V32 PolarHBondContact O-N 3.04Å; S28-V32 VanDerWaalsContact O-N 3.1Å
29R50.1Low60.6Low168 Ų16892.4 Ų92.463%0.63445%0.453SS*.Hα-helixtrans-56.2-36.8174-162.890.27198.83.8110.8V32 N33 D195R29-V32 PolarHBondContact O-N 3.45Å; R29-N33 WeakPolarHBondContact O-CB 3.38Å; R29-N33 PolarHBondContact O-N 3.01Å; R29-N33 PolarHBondContact O-ND2 3.41Å; R29-N33 PolarHBondContact O-OD1 3.36Å; R29-D195 IonicContact NH1-OD2 2.82Å
30E52.5Low58.8Low130 Ų13093.9 Ų93.961%0.60747%0.467SS*.Hα-helixtrans-67.3-38176.7-50.696-17700112.5S28 V32 N33 A34S28-E30 WeakPolarHBondContact CB-OE2 3.36Å; S28-E30 PolarHBondContact O-N 3.05Å; S28-E30 PolarHBondContact OG-N 2.79Å; S28-E30 PolarHBondContact OG-OE2 3.41Å; E30-V32 VanDerWaalsContact C-N 3.34Å; E30-N33 PolarHBondContact O-N 3.07Å; E30-A34 VanDerWaalsContact O-CB 3.24Å; E30-A34 WeakPolarHBondContact O-CB 3.14Å; E30-A34 PolarHBondContact O-N 3.03Å
31M56.8Low57.3Low100 Ų10093 Ų9349%0.49346%0.463SS..Hα-helixtrans-63.8-42.2177.4-173.8-176.8-64.500111.4A27 S28 W35A27-M31 HydrophobicContact CB-SD 4.42Å; S28-M31 WeakPolarHBondContact O-CB 3.37Å; S28-M31 PolarHBondContact O-N 2.91Å; S28-M31 PolarHBondContact OG-N 3.36Å; M31-W35 WeakPolarHBondContact O-CB 3.47Å; M31-W35 PolarHBondContact O-N 3.25Å
32V58.3Low55.4Low39 Ų3996.1 Ų96.124%0.23648%0.481CS..Hα-helixtrans-67.8-43.6176.91750000110.6A27 S28 R29 E30 W35 F36A27-V32 HydrophobicContact CB-CG2 3.96Å; S28-V32 PolarHBondContact O-N 3.04Å; S28-V32 VanDerWaalsContact O-N 3.1Å; R29-V32 PolarHBondContact O-N 3.45Å; E30-V32 VanDerWaalsContact C-N 3.34Å; V32-W35 WeakPolarHBondContact O-CB 3.24Å; V32-W35 PolarHBondContact O-N 3.48Å; V32-F36 HydrophobicContact CG1-CD2 3.62Å; V32-F36 HydrophobicContact CG1-CE2 3.29Å; V32-F36 HydrophobicContact CG1-CZ 4.32Å; V32-F36 WeakPolarHBondContact O-CB 3.37Å; V32-F36 WeakPolarHBondContact O-CD2 2.95Å; V32-F36 WeakPolarHBondContact O-CG 3.38Å; V32-F36 PolarHBondContact O-N 2.92Å
33N51.1Low53.2Low49 Ų4998.1 Ų98.126%0.26250%0.497SS..Hα-helixtrans-65.2-38.8176.9-70.4-7.8000112.8R29 E30 F36 A37R29-N33 WeakPolarHBondContact O-CB 3.38Å; R29-N33 PolarHBondContact O-N 3.01Å; R29-N33 PolarHBondContact O-ND2 3.41Å; R29-N33 PolarHBondContact O-OD1 3.36Å; E30-N33 PolarHBondContact O-N 3.07Å; N33-F36 WeakPolarHBondContact O-CB 3.48Å; N33-F36 PolarHBondContact O-N 2.84Å; N33-A37 PolarHBondContact O-N 2.89Å
34A51Low50.7Low57 Ų57101 Ų10147%0.47151%0.512SS..Hα-helixtrans-67.5-41.3174.800000111.7E30 F36 A37 E38E30-A34 VanDerWaalsContact O-CB 3.24Å; E30-A34 WeakPolarHBondContact O-CB 3.14Å; E30-A34 PolarHBondContact O-N 3.03Å; A34-F36 VanDerWaalsContact C-N 3.32Å; A34-F36 PolarHBondContact O-N 2.81Å; A34-A37 PolarHBondContact O-N 3.46Å; A34-E38 PolarHBondContact O-N 3.21Å
35W59.8Low48.8Very low99 Ų99101.3 Ų101.338%0.37552%0.516SS..Hα-helixtrans-61.7-39.4172.9-179.297.6000112.1M31 V32 E38 R39 I247M31-W35 WeakPolarHBondContact O-CB 3.47Å; M31-W35 PolarHBondContact O-N 3.25Å; V32-W35 WeakPolarHBondContact O-CB 3.24Å; V32-W35 PolarHBondContact O-N 3.48Å; W35-E38 PolarHBondContact O-N 3.08Å; W35-R39 PolarHBondContact O-N 3.42Å; W35-R39 VanDerWaalsContact O-N 3.16Å; W35-I247 HydrophobicContact CH2-CD1 3.9Å; W35-I247 HydrophobicContact CZ3-CD1 3.77Å
36F52.2Low46.8Very low42 Ų4299.2 Ų99.218%0.18452%0.522CS..Hα-helixtrans-62.6-43.2172.1-83-60.5000111.9V32 N33 A34 E38 R39 A40 V244 I247V32-F36 HydrophobicContact CG1-CD2 3.62Å; V32-F36 HydrophobicContact CG1-CE2 3.29Å; V32-F36 HydrophobicContact CG1-CZ 4.32Å; V32-F36 WeakPolarHBondContact O-CB 3.37Å; V32-F36 WeakPolarHBondContact O-CD2 2.95Å; V32-F36 WeakPolarHBondContact O-CG 3.38Å; V32-F36 PolarHBondContact O-N 2.92Å; N33-F36 WeakPolarHBondContact O-CB 3.48Å; N33-F36 PolarHBondContact O-N 2.84Å; A34-F36 VanDerWaalsContact C-N 3.32Å; A34-F36 PolarHBondContact O-N 2.81Å; F36-E38 VanDerWaalsContact C-N 3.33Å; F36-E38 PolarHBondContact O-N 3.15Å; F36-R39 PolarHBondContact O-N 3.12Å; F36-A40 WeakPolarHBondContact O-CB 3.33Å; F36-A40 PolarHBondContact O-N 3.4Å; F36-V244 HydrophobicContact CE1-CG2 4.13Å; F36-V244 HydrophobicContact CZ-CG1 4.26Å; F36-I247 HydrophobicContact CE1-CD1 4.02Å; F36-I247 HydrophobicContact CZ-CB 4.32Å; F36-I247 HydrophobicContact CZ-CD1 4.06Å; F36-I247 HydrophobicContact CZ-CG2 4.17Å
37A51.2Low45Very low60 Ų6098.4 Ų98.450%0.49653%0.528SS..Hα-helixtrans-63.7-35.8177.600000112.7N33 A34N33-A37 PolarHBondContact O-N 2.89Å; A34-A37 PolarHBondContact O-N 3.46Å
38E45.8Very low43.5Very low135 Ų135101.5 Ų101.563%0.63155%0.546SS*.Hα-helixtrans-72.7-32.1177-78.6-17215200113.8A34 W35 F36A34-E38 PolarHBondContact O-N 3.21Å; W35-E38 PolarHBondContact O-N 3.08Å; F36-E38 VanDerWaalsContact C-N 3.33Å; F36-E38 PolarHBondContact O-N 3.15Å
39R48.6Very low41.9Very low159 Ų159109 Ų10960%0.657%0.573SS**Hα-helixtrans-97-18.5-176-80173.8152.788.9-3.2114.4W35 F36 H41W35-R39 PolarHBondContact O-N 3.42Å; W35-R39 VanDerWaalsContact O-N 3.16Å; F36-R39 PolarHBondContact O-N 3.12Å; R39-H41 PolarHBondContact O-N 2.88Å
40A42.5Very low40.8Very low54 Ų54109 Ų10945%0.44659%0.585SS.*SBendtrans-70.4-9.9171.900000113.8F36F36-A40 WeakPolarHBondContact O-CB 3.33Å; F36-A40 PolarHBondContact O-N 3.4Å
41H37.6Very low39.5Very low116 Ų116107.6 Ų107.654%0.53759%0.589SS.*  trans163.5134.2140.6-80.2-50.4000109.6R39 I43 E213 K216R39-H41 PolarHBondContact O-N 2.88Å; H41-I43 PolarHBondContact O-N 3.43Å; H41-E213 IonicContact CD2-OE1 3.54Å; H41-E213 PolarHBondContact CD2-OE1 3.25Å; H41-E213 IonicContact CG-OE1 3.58Å; H41-E213 IonicContact NE2-OE1 3.24Å; H41-K216 PolarHBondContact NE2-NZ 3.18Å
42T30.1Very low38.1Very low112 Ų112109.3 Ų109.369%0.68761%0.606SS**  trans-68.3116.7179.1-47.30000112.2Q44T42-Q44 HydrophobicContact CG2-CG 4.44Å
43I26.9Very low36.6Very low157 Ų157114.9 Ų114.981%0.80563%0.633SS**  trans-131.5102.3144.6-59.5179.4000106.1H41H41-I43 PolarHBondContact O-N 3.43Å
44Q26.4Very low35.3Very low158 Ų158119.9 Ų119.974%0.73866%0.659SS**  trans-70.1133.9165.3-71.8-159-13.300108.9T42 S46T42-Q44 HydrophobicContact CG2-CG 4.44Å; Q44-S46 PolarHBondContact O-N 2.89Å
45P28Very low34.1Very low109 Ų109122.6 Ų122.671%0.70867%0.674SS**  trans-63.6126.6158.825.6-27.8000107.9V47P45-V47 PolarHBondContact O-N 3.18Å
46S25.3Very low32.4Very low118 Ų118123.4 Ų123.483%0.82570%0.695SS**  trans-57.4104.8176.352.40000110.6Q44Q44-S46 PolarHBondContact O-N 2.89Å
47V30.5Very low31Very low123 Ų123126.4 Ų126.475%0.74572%0.721SS**PPolyproline II helixtrans-75.3123.2165.8179.70000107.7P45 K49P45-V47 PolarHBondContact O-N 3.18Å; V47-K49 PolarHBondContact O-N 2.83Å
48P29.5Very low29.8Very low102 Ų102132.2 Ų132.266%0.66274%0.743SS**PPolyproline II helixtrans-68.5127172.426.7-29.1000109.1N50P48-N50 PolarHBondContact O-N 2.65Å
49K26Very low28.7Very low203 Ų203131 Ų13188%0.88375%0.745SS**PPolyproline II helixtrans-59.5121.1176.4-69.2174176.9175.40109.6V47 S51V47-K49 PolarHBondContact O-N 2.83Å; K49-S51 PolarHBondContact O-N 2.88Å
50N26Very low27.6Very low166 Ų166130.9 Ų130.989%0.88876%0.756SS**  trans-58.7107.1162.2-88.2-18.1000109.1P48P48-N50 PolarHBondContact O-N 2.65Å
51S26.8Very low26.8Very low101 Ų101135.9 Ų135.971%0.70677%0.774SS**  trans-87.8112.8161.6530000108.9K49 I53K49-S51 PolarHBondContact O-N 2.88Å; S51-I53 PolarHBondContact O-N 3.35Å
52T26.1Very low26.1Very low136 Ų136137.1 Ų137.183%0.83478%0.784SS**  trans-47.9116.3165.5-39.10000110.4
53I26.4Very low25.9Very low156 Ų156139.8 Ų139.880%0.879%0.794SS**  trans-125.6127.6156.9-61.8-177.1000108S51S51-I53 PolarHBondContact O-N 3.35Å
54L24.9Very low25.7Very low154 Ų154143 Ų14381%0.80680%0.796SS**  trans-51.6136.1-173.9-72.1135.9000113.2S56L54-S56 PolarHBondContact O-N 3.49Å
55S24.5Very low25.6Very low115 Ų115141.4 Ų141.480%0.80480%0.801SS**  trans-54.7126.2156.852.80000110.9
56S25.1Very low25.6Very low115 Ų115142 Ų14280%0.80481%0.805SS**  trans-133.3115.9157.953.80000109.6L54L54-S56 PolarHBondContact O-N 3.49Å
57S23.6Very low25.7Very low106 Ų106141.7 Ų141.774%0.74180%0.803SS**  trans-51.7142.1178.6-44.90000114.4
58L24.9Very low25.6Very low181 Ų181141.6 Ų141.695%0.94881%0.805SS**  trans-140.1135.4140.2-82.7177.1000110
59T23.2Very low25.8Very low110 Ų110141.8 Ų141.868%0.67582%0.815SS**  trans-102.8161.5-163.948.90000112.4
60L24.9Very low25.7Very low157 Ų157138.1 Ų138.182%0.82281%0.81SS**  trans81.2133.6157.2-62.5167.4000116.1
61L26.4Very low25.9Very low158 Ų158135.9 Ų135.983%0.82780%0.802SS**  cis-144.1142.325.5-93.4113000112.8
62D23.1Very low26Very low142 Ų142137 Ų13776%0.75981%0.807SS**  trans-63.9138.4157.7-105.9-34.7000111.1
63N26.3Very low26.1Very low168 Ų168135.3 Ų135.390%0.89880%0.801SS**  trans-148.4120.3147-118.3-6.4000110.5
64R22.6Very low26.3Very low225 Ų225133.9 Ų133.985%0.84980%0.802SS**  trans-71.4148.7-178.3-67.7177.5-168.5-146.5-1.3112.3
65C23.7Very low26.6Very low125 Ų125130.5 Ų130.585%0.84580%0.795SS**  179.8165115.2-96.80000112.5
66P27.9Very low27Very low121 Ų121131.1 Ų131.179%0.78680%0.797SS**  trans-100.9169.2-131.338.1-35.6000117.3
67S28Very low27.5Very low112 Ų112129 Ų12978%0.78379%0.793SS**  trans-43.3162.4-176.4-25.30000117.9
68P27.3Very low28.4Very low120 Ų120128.3 Ų128.378%0.77978%0.784SS**  -133153.887.435.8-23.4000114.4T70P68-T70 PolarHBondContact O-N 2.91Å
69A33.3Very low29.4Very low106 Ų106121.8 Ų121.888%0.87675%0.753SS**  trans-51.5118.6-17900000112.3
70T25.4Very low30.5Very low127 Ų127118.5 Ų118.578%0.77973%0.733SS**  trans-110.4116.7162.3-45.80000106.7P68P68-T70 PolarHBondContact O-N 2.91Å
71V29.8Very low31.9Very low119 Ų119122.3 Ų122.372%0.72174%0.736SS**  trans-48.8128.4170.9-178.80000108.2S73V71-S73 PolarHBondContact O-N 3.47Å
72P28.3Very low33.3Very low123 Ų123122.9 Ų122.980%0.79973%0.732SS**  trans-68.1107.4174.325.3-27.5000107.9
73S27.8Very low35.2Very low102 Ų102117.9 Ų117.971%0.71371%0.705SS**PPolyproline II helixtrans-56.1141.6160.1-50.90000108.2V71 A75V71-S73 PolarHBondContact O-N 3.47Å; S73-A75 PolarHBondContact O-N 3.22Å; S73-A75 VanDerWaalsContact O-N 3.12Å
74P31.6Very low37.3Very low126 Ų126112.3 Ų112.382%0.81868%0.68SS**PPolyproline II helixtrans-63.9121-177.826.7-31.3000108.5
75A30Very low39.7Very low82 Ų82103.7 Ų103.768%0.67866%0.656SS**PPolyproline II helixtrans-53.2142.1168.800000109S73 G77S73-A75 PolarHBondContact O-N 3.22Å; S73-A75 VanDerWaalsContact O-N 3.12Å; A75-G77 PolarHBondContact O-N 3.39Å
76P34.9Very low42.2Very low128 Ų128101.9 Ų101.983%0.83165%0.645SS**PPolyproline II helixtrans-58.5117.3174.6-5.116.2000107.4T78P76-T78 PolarHBondContact O-N 3.47Å
77G35.1Very low44.7Very low70 Ų7099.5 Ų99.572%0.72262%0.623SS**PPolyproline II helixtrans-58.7124.4-17600000110.3A75A75-G77 PolarHBondContact O-N 3.39Å
78T42.2Very low47.2Very low92 Ų9296.3 Ų96.356%0.56460%0.596SS**PPolyproline II helixtrans-54.3128.4168.748.40000109.1P76 T80 R81P76-T78 PolarHBondContact O-N 3.47Å; T78-T80 PolarHBondContact O-N 2.93Å; T78-R81 PolarHBondContact O-N 2.9Å
79P45.3Very low50Low44 Ų4494.2 Ų94.229%0.28658%0.578SS.*G310 helixtrans-60.9-18-171.419.9-31.1000114.1R81 K82 I83 L328 F350P79-R81 VanDerWaalsContact C-N 3.28Å; P79-R81 PolarHBondContact O-N 3.27Å; P79-K82 PolarHBondContact O-N 3Å; P79-I83 WeakPolarHBondContact O-CD1 3.48Å; P79-L328 HydrophobicContact CG-CD1 4.49Å; P79-F350 HydrophobicContact CB-CZ 4.28Å; P79-F350 HydrophobicContact CG-CE2 4.26Å; P79-F350 HydrophobicContact CG-CZ 4.06Å
80T47.6Very low52.4Low42 Ų4292.2 Ų92.226%0.25855%0.547SS..G310 helixtrans-63-22.1-179.239.30000115.4T78 K82 S349 F350T78-T80 PolarHBondContact O-N 2.93Å; T80-K82 PolarHBondContact O-N 3.23Å; T80-S349 WeakPolarHBondContact CG2-OG 3.4Å; T80-F350 HydrophobicContact CG2-CD2 3.93Å; T80-F350 HydrophobicContact CG2-CE1 4.3Å; T80-F350 HydrophobicContact CG2-CE2 3.61Å; T80-F350 HydrophobicContact CG2-CG 4.41Å; T80-F350 HydrophobicContact CG2-CZ 3.83Å
81R52.7Low55.2Low236 Ų23688.8 Ų88.889%0.89153%0.528SS*.G310 helixtrans-70-12.6177.7-88.4-173-179.9169.81.4114.5T78 P79T78-R81 PolarHBondContact O-N 2.9Å; P79-R81 VanDerWaalsContact C-N 3.28Å; P79-R81 PolarHBondContact O-N 3.27Å
82K55.8Low57.9Low170 Ų17085 Ų8574%0.73950%0.503SS*.G310 helixtrans-108.3-0.9-174.3-70.2-173.7176.2-1790114.4P79 T80 R317P79-K82 PolarHBondContact O-N 3Å; T80-K82 PolarHBondContact O-N 3.23Å; K82-R317 PolarHBondContact O-NH2 3.07Å
83I63.9Low60.6Low37 Ų3787 Ų8719%0.1950%0.495CS..  trans-128.4110.7-166.1-55.6162.8000108.1P79 F88 V321 F350P79-I83 WeakPolarHBondContact O-CD1 3.48Å; I83-F88 HydrophobicContact CG2-CD2 4.32Å; I83-F88 HydrophobicContact CG2-CE2 3.37Å; I83-F88 HydrophobicContact CG2-CZ 3.98Å; I83-V321 HydrophobicContact CD1-CB 4.37Å; I83-V321 HydrophobicContact CD1-CG1 4.03Å; I83-V321 HydrophobicContact CD1-CG2 3.36Å; I83-V321 HydrophobicContact CG1-CG2 4.26Å; I83-F350 HydrophobicContact CD1-CE1 3.75Å; I83-F350 HydrophobicContact CD1-CZ 4.13Å
84S70.6Confident63.4Low52 Ų5286.4 Ų86.436%0.36449%0.488SS..  trans-83122.3173-170.50000109.7S86 E87S84-S86 PolarHBondContact O-N 2.89Å; S84-S86 PolarHBondContact OG-OG 3.27Å; S84-E87 WeakPolarHBondContact O-CB 3.46Å; S84-E87 PolarHBondContact O-N 2.83Å; S84-E87 VanDerWaalsContact O-N 3.1Å
85A73.3Confident66.1Low43 Ų4383.4 Ų83.436%0.35547%0.465SS..G310 helixtrans-57.9-31.2176.900000112.3E87 F88A85-E87 PolarHBondContact O-N 3.36Å; A85-F88 PolarHBondContact O-N 3.42Å
86S76.1Confident68.8Low88 Ų8882.2 Ų82.262%0.61545%0.449SS*.G310 helixtrans-64.6-22.4178.966.10000113.9S84 F88S84-S86 PolarHBondContact O-N 2.89Å; S84-S86 PolarHBondContact OG-OG 3.27Å; S86-F88 VanDerWaalsContact C-N 3.31Å
87E79Confident71.4Confident71 Ų7178.2 Ų78.233%0.33242%0.422SS..G310 helixtrans-67.9-35.5178-72.5171.6-165.800111.1S84 A85 R90 L314 R317S84-E87 WeakPolarHBondContact O-CB 3.46Å; S84-E87 PolarHBondContact O-N 2.83Å; S84-E87 VanDerWaalsContact O-N 3.1Å; A85-E87 PolarHBondContact O-N 3.36Å; E87-R90 PolarHBondContact O-NE 2.96Å; E87-L314 HydrophobicContact CB-CD1 3.97Å; E87-L314 WeakPolarHBondContact O-CD2 3.37Å; E87-R317 IonicContact OE2-NH1 3.9Å; E87-R317 PolarHBondContact OE2-NH1 3.49Å
88F82.3Confident73.9Confident45 Ų4582.3 Ų82.320%0.19742%0.42CS..G310 helixtrans-84.9-4.2-177.7-58.7-86.8000114.1I83 A85 S86 R90 L92 L314 R318I83-F88 HydrophobicContact CG2-CD2 4.32Å; I83-F88 HydrophobicContact CG2-CE2 3.37Å; I83-F88 HydrophobicContact CG2-CZ 3.98Å; A85-F88 PolarHBondContact O-N 3.42Å; S86-F88 VanDerWaalsContact C-N 3.31Å; F88-R90 PolarHBondContact O-N 3.38Å; F88-L92 HydrophobicContact CD1-CD1 4.03Å; F88-L314 HydrophobicContact CD1-CD1 3.73Å; F88-L314 HydrophobicContact CD1-CD2 4.21Å; F88-L314 HydrophobicContact CD1-CG 3.77Å; F88-L314 HydrophobicContact CD2-CD1 4.37Å; F88-L314 HydrophobicContact CE1-CD1 3.33Å; F88-L314 HydrophobicContact CE1-CG 3.68Å; F88-L314 HydrophobicContact CE2-CD1 4Å; F88-L314 HydrophobicContact CG-CD1 4.24Å; F88-L314 HydrophobicContact CZ-CD1 3.5Å; F88-L314 VanDerWaalsContact CZ-CD1 3.5Å; F88-L314 HydrophobicContact CZ-CG 4.35Å; F88-R318 HydrophobicContact CD1-CB 4.24Å; F88-R318 HydrophobicContact CD1-CG 4.47Å; F88-R318 HydrophobicContact CE1-CB 3.72Å; F88-R318 HydrophobicContact CE1-CG 4.31Å
89D84.3Confident75.9Confident76 Ų7681 Ų8141%0.40641%0.41SS..  trans-78.566.2174.5-172.325.8000111S183D89-S183 VanDerWaalsContact OD1-CB 3.24Å; D89-S183 WeakPolarHBondContact OD1-CB 3.46Å; D89-S183 PolarHBondContact OD1-N 3.28Å; D89-S183 PolarHBondContact OD1-OG 2.84Å
90R83.8Confident77.7Confident63 Ų6385 Ų8524%0.23844%0.439CS..SBendtrans-154160.5177.268.6179.872.8-167.7-0.9109.7E87 F88 L92 E181 E310 L314E87-R90 PolarHBondContact O-NE 2.96Å; F88-R90 PolarHBondContact O-N 3.38Å; R90-L92 HydrophobicContact CG-CD2 3.82Å; R90-L92 HydrophobicContact CG-CG 4.18Å; R90-L92 PolarHBondContact O-N 3.1Å; R90-L92 VanDerWaalsContact O-N 3.11Å; R90-E181 WeakPolarHBondContact CA-O 3.27Å; R90-E310 IonicContact NH1-OE2 2.76Å; R90-E310 PolarHBondContact NH1-OE2 3.21Å; R90-L314 HydrophobicContact CG-CD2 4.13Å
91P84.3Confident79.5Confident56 Ų5691 Ų9136%0.36446%0.464SS..  trans-64.2115.6176.824.8-33.2000110.3E181P91-E181 WeakPolarHBondContact CD-O 3.49Å; P91-E181 HydrophobicContact CG-CB 4.2Å; P91-E181 HydrophobicContact CG-CG 3.99Å
92L86.4Confident81Confident38 Ų3881.7 Ų81.720%0.19944%0.441CS..  trans-119.5150.7176-60.7-179.7000109.7F88 R90 T311 L314 E315 R318F88-L92 HydrophobicContact CD1-CD1 4.03Å; R90-L92 HydrophobicContact CG-CD2 3.82Å; R90-L92 HydrophobicContact CG-CG 4.18Å; R90-L92 PolarHBondContact O-N 3.1Å; R90-L92 VanDerWaalsContact O-N 3.11Å; L92-T311 HydrophobicContact CD2-CG2 3.77Å; L92-L314 HydrophobicContact CD1-CD2 4.39Å; L92-L314 HydrophobicContact CD2-CD2 4.19Å; L92-E315 HydrophobicContact CB-CG 4.34Å; L92-E315 HydrophobicContact CD2-CG 3.88Å; L92-R318 VanDerWaalsContact CB-NH1 3.33Å
93R86.8Confident82.5Confident166 Ų16676.6 Ų76.663%0.62643%0.427SS*.  trans-59.9146.7173.9-67.8175.7179.7-171.7-0.1110.7E315 R318R93-E315 WeakPolarHBondContact CB-OE1 3.34Å; R93-E315 WeakPolarHBondContact CG-OE1 3.22Å; R93-E315 PolarHBondContact N-OE1 3.31Å; R93-R318 PolarHBondContact O-NH1 2.98Å; R93-R318 PolarHBondContact O-NH2 3.48Å
94P85.8Confident83.7Confident90 Ų9081 Ų8158%0.58445%0.45SS*.  trans-60.5145.3176.526.8-34.8000110.6V96 V97P94-V96 VanDerWaalsContact C-N 3.33Å; P94-V97 HydrophobicContact CG-CG1 3.9Å
95I87.3Confident84.5Confident63 Ų6380.2 Ų80.232%0.32344%0.443SS..SBendtrans-71.2-33.6179-64.7156.5000111F106 R318 L322I95-F106 HydrophobicContact CG2-CD1 3.88Å; I95-F106 HydrophobicContact CG2-CE1 3.84Å; I95-F106 WeakPolarHBondContact O-CD1 3.45Å; I95-R318 VanDerWaalsContact CG1-CZ 3.49Å; I95-L322 HydrophobicContact CD1-CD1 3.66Å; I95-L322 HydrophobicContact CG1-CD1 4.06Å; I95-L322 HydrophobicContact CG2-CD1 3.8Å
96V87.5Confident85.1Confident56 Ų5685.5 Ų85.534%0.33946%0.459SS..SBendtrans-125132.6-177.6-174.80000108.6P94 L104 T105 F106P94-V96 VanDerWaalsContact C-N 3.33Å; V96-L104 HydrophobicContact CG1-CB 3.77Å; V96-L104 HydrophobicContact CG1-CD2 3.9Å; V96-L104 HydrophobicContact CG1-CG 4.32Å; V96-T105 WeakPolarHBondContact CA-O 3.39Å; V96-F106 HydrophobicContact CG2-CD1 3.9Å; V96-F106 HydrophobicContact CG2-CE1 3.56Å; V96-F106 HydrophobicContact CG2-CZ 4.11Å
97V88.8Confident85.4Confident44 Ų4488 Ų8827%0.26746%0.464SS..EExtended strand (participates in β ladder)trans-121.4163.1177.1-64.10000110.2P94 L104 T105P94-V97 HydrophobicContact CG-CG1 3.9Å; V97-L104 WeakPolarHBondContact O-CA 3.38Å; V97-T105 HydrophobicContact CG2-CG2 3.83Å; V97-T105 PolarHBondContact N-O 3Å; V97-T105 PolarHBondContact O-N 3.19Å
98K87.4Confident85Confident157 Ų15788 Ų8868%0.68347%0.472SS*.EExtended strand (participates in β ladder)trans-92.7133.9170.9-71.1-176.5179-175.70109.5S103 L104K98-S103 CarbonylContact C-O 3.59Å; K98-S103 VanDerWaalsContact CA-O 3.3Å; K98-S103 WeakPolarHBondContact CA-O 3.32Å; K98-L104 HydrophobicContact CG-CD2 3.93Å
99D85.4Confident84.1Confident65 Ų6593.8 Ų93.835%0.34851%0.505SS..  trans-76-179.1171.365.818.1000112E101 G102 S103 T105D99-E101 PolarHBondContact O-N 3.31Å; D99-E101 VanDerWaalsContact O-N 3.14Å; D99-E101 WeakPolarHBondContact OD1-CA 3.45Å; D99-E101 PolarHBondContact OD1-N 3.13Å; D99-G102 PolarHBondContact O-N 3.28Å; D99-G102 PolarHBondContact OD1-N 3.39Å; D99-S103 PolarHBondContact N-O 3.44Å; D99-S103 PolarHBondContact OD1-N 2.92Å; D99-S103 WeakPolarHBondContact OD2-CB 3.03Å; D99-T105 HydrophobicContact CB-CG2 4.21Å
100S82.4Confident82.7Confident128 Ų12894.2 Ų94.290%0.89551%0.514SS*.THydrogen-bonded Turntrans-61.3-18.9178.851.80000113.8
101E85.4Confident80.9Confident167 Ų167100 Ų10078%0.7854%0.543SS*.THydrogen-bonded Turntrans-96.9-0.9177.6-59.4-173.4172.900112.1D99 S103D99-E101 PolarHBondContact O-N 3.31Å; D99-E101 VanDerWaalsContact O-N 3.14Å; D99-E101 WeakPolarHBondContact OD1-CA 3.45Å; D99-E101 PolarHBondContact OD1-N 3.13Å; E101-S103 VanDerWaalsContact C-N 3.34Å
102G83.5Confident78.9Confident41 Ų41108.3 Ų108.342%0.42357%0.567SS.*SBendtrans83.84.6179.800000114.6D99D99-G102 PolarHBondContact O-N 3.28Å; D99-G102 PolarHBondContact OD1-N 3.39Å
103S88.5Confident76.8Confident63 Ų63114.1 Ų114.144%0.44159%0.594SS.*  trans-78.5145.7177.5-61.60000111.1K98 D99 E101K98-S103 CarbonylContact C-O 3.59Å; K98-S103 VanDerWaalsContact CA-O 3.3Å; K98-S103 WeakPolarHBondContact CA-O 3.32Å; D99-S103 PolarHBondContact N-O 3.44Å; D99-S103 PolarHBondContact OD1-N 2.92Å; D99-S103 WeakPolarHBondContact OD2-CB 3.03Å; E101-S103 VanDerWaalsContact C-N 3.34Å
104L89.4Confident74.4Confident130 Ų130111.1 Ų111.168%0.68160%0.595SS**EExtended strand (participates in β ladder)trans-77.1128.9179.8-66.4174.7000110.6V96 V97 K98V96-L104 HydrophobicContact CG1-CB 3.77Å; V96-L104 HydrophobicContact CG1-CD2 3.9Å; V96-L104 HydrophobicContact CG1-CG 4.32Å; V97-L104 WeakPolarHBondContact O-CA 3.38Å; K98-L104 HydrophobicContact CG-CD2 3.93Å
105T87.6Confident72.3Confident34 Ų34112.2 Ų112.221%0.20960%0.6CS.*EExtended strand (participates in β ladder)trans-139.2150.9179.2-177.80000111.7V96 V97 D99 L107V96-T105 WeakPolarHBondContact CA-O 3.39Å; V97-T105 HydrophobicContact CG2-CG2 3.83Å; V97-T105 PolarHBondContact N-O 3Å; V97-T105 PolarHBondContact O-N 3.19Å; D99-T105 HydrophobicContact CB-CG2 4.21Å; T105-L107 VanDerWaalsContact C-N 3.33Å; T105-L107 VanDerWaalsContact CG2-O 3.31Å; T105-L107 WeakPolarHBondContact CG2-O 3.3Å; T105-L107 PolarHBondContact OG1-N 3.06Å; T105-L107 VanDerWaalsContact OG1-N 3.07Å
106F85.9Confident70Confident155 Ų155113.1 Ų113.168%0.6861%0.61SS**SBendtrans-85.6-10.1170-63.6-83.5000112.4I95 V96I95-F106 HydrophobicContact CG2-CD1 3.88Å; I95-F106 HydrophobicContact CG2-CE1 3.84Å; I95-F106 WeakPolarHBondContact O-CD1 3.45Å; V96-F106 HydrophobicContact CG2-CD1 3.9Å; V96-F106 HydrophobicContact CG2-CE1 3.56Å; V96-F106 HydrophobicContact CG2-CZ 4.11Å
107L82.6Confident67.8Low141 Ų141119 Ų11974%0.73864%0.639SS**  trans-96.1108.1-177.8-58.5179.5000109.1T105T105-L107 VanDerWaalsContact C-N 3.33Å; T105-L107 VanDerWaalsContact CG2-O 3.31Å; T105-L107 WeakPolarHBondContact CG2-O 3.3Å; T105-L107 PolarHBondContact OG1-N 3.06Å; T105-L107 VanDerWaalsContact OG1-N 3.07Å
108S70.8Confident65.4Low69 Ų69122.2 Ų122.248%0.48366%0.662SS.*  trans-82.9130.4169.351.80000110.2S110S108-S110 PolarHBondContact O-N 3.26Å; S108-S110 VanDerWaalsContact O-N 3.13Å
109D62.1Low63.1Low168 Ų168117.9 Ų117.990%0.89866%0.662SS**  trans-66.9111.4167.5-135.8-6000107.5E111D109-E111 PolarHBondContact O-N 2.87Å; D109-E111 VanDerWaalsContact O-N 3.09Å
110S54.5Low60.8Low84 Ų84119.7 Ų119.759%0.58768%0.68SS**  trans-79.296.9-175.6-63.80000108.5S108 R112S108-S110 PolarHBondContact O-N 3.26Å; S108-S110 VanDerWaalsContact O-N 3.13Å; S110-R112 VanDerWaalsContact C-N 3.32Å; S110-R112 PolarHBondContact O-N 3.47Å
111E46.3Very low58.7Low185 Ų185119.8 Ų119.886%0.86468%0.675SS**  trans-58.8105.4155-71.9-168.6149.400106.5D109 E113D109-E111 PolarHBondContact O-N 2.87Å; D109-E111 VanDerWaalsContact O-N 3.09Å; E111-E113 VanDerWaalsContact C-N 3.3Å; E111-E113 PolarHBondContact O-N 3.41Å
112R43.3Very low56.5Low230 Ų230119.5 Ų119.587%0.86868%0.675SS**  trans-64.398171.6-71.7-179.5178.1178.8-0.4106.1S110 P114S110-R112 VanDerWaalsContact C-N 3.32Å; S110-R112 PolarHBondContact O-N 3.47Å; R112-P114 WeakPolarHBondContact O-CD 3.33Å
113E40.8Very low54.2Low161 Ų161120.8 Ų120.875%0.75269%0.689SS**  trans-51.7110.8161.9-87.7-77.214100106.9E111 V115E111-E113 VanDerWaalsContact C-N 3.3Å; E111-E113 PolarHBondContact O-N 3.41Å; E113-V115 PolarHBondContact O-N 3.37Å; E113-V115 VanDerWaalsContact O-N 3.07Å
114P36.8Very low51.9Low102 Ų102127.8 Ų127.866%0.66272%0.715SS**  trans-69.5111.6177.326.7-27.3000106.6R112 P116R112-P114 WeakPolarHBondContact O-CD 3.33Å; P114-P116 WeakPolarHBondContact O-CD 3.36Å
115V42.9Very low49.3Very low113 Ų113125.1 Ų125.169%0.68572%0.718SS**  trans-60113.1169.2-173.50000106.7E113 L117E113-V115 PolarHBondContact O-N 3.37Å; E113-V115 VanDerWaalsContact O-N 3.07Å; V115-L117 PolarHBondContact O-N 3.31Å; V115-L117 VanDerWaalsContact O-N 3.13Å
116P38.3Very low47Very low82 Ų82127.6 Ų127.653%0.53275%0.751SS.*  trans-71.4115.7175.3-7.124.3000106.5P114 C118P114-P116 WeakPolarHBondContact O-CD 3.36Å; P116-C118 PolarHBondContact O-N 2.66Å
117L41.1Very low44.9Very low181 Ų181124 Ų12495%0.94876%0.757SS**  trans-66.487.4156.4-82.5157.8000106.5V115 G119V115-L117 PolarHBondContact O-N 3.31Å; V115-L117 VanDerWaalsContact O-N 3.13Å; L117-G119 PolarHBondContact O-N 2.95Å; L117-G119 VanDerWaalsContact O-N 3.16Å
118C39.3Very low43Very low111 Ų111125 Ų12575%0.7576%0.763SS**  trans-79.299.6174.6-161.30000108.3P116 S120P116-C118 PolarHBondContact O-N 2.66Å; C118-S120 PolarHBondContact O-N 3.26Å
119G39.3Very low41.9Very low66 Ų66129.5 Ų129.568%0.6878%0.782SS**  trans-66.6105.2157.200000107.9L117 V121L117-G119 PolarHBondContact O-N 2.95Å; L117-G119 VanDerWaalsContact O-N 3.16Å; G119-V121 PolarHBondContact O-N 3.05Å
120S35.9Very low41.3Very low102 Ų102123.7 Ų123.771%0.71376%0.761SS**  trans-69.9113.8170.6-170.10000108.3C118 M122C118-S120 PolarHBondContact O-N 3.26Å; S120-M122 PolarHBondContact O-N 2.74Å; S120-M122 VanDerWaalsContact O-N 3.1Å
121V38.3Very low41.3Very low131 Ų131124 Ų12479%0.79476%0.764SS**  trans-62.7106.8164.1175.70000106.7G119 G123G119-V121 PolarHBondContact O-N 3.05Å; V121-G123 PolarHBondContact O-N 2.72Å
122M38.7Very low41.9Very low160 Ų160118.2 Ų118.279%0.78875%0.754SS**  trans-64.5117.6161.7-80.4177.2163.900106.9S120 E124S120-M122 PolarHBondContact O-N 2.74Å; S120-M122 VanDerWaalsContact O-N 3.1Å; M122-E124 PolarHBondContact O-N 2.83Å
123G36Very low42.6Very low69 Ų69116.7 Ų116.771%0.71175%0.748SS**  trans-58.9126.9177.300000110.8V121 G125V121-G123 PolarHBondContact O-N 2.72Å; G123-G125 PolarHBondContact O-N 3.01Å
124E39.7Very low43.7Very low210 Ų210115.3 Ų115.398%0.98174%0.741SS**  trans-65.598.5165.9-75.4-179.2105.500108.9M122M122-E124 PolarHBondContact O-N 2.83Å
125G35.3Very low45.2Very low74 Ų74114.6 Ų114.676%0.76374%0.735SS**  trans-110.1110.3161.700000108.2G123G123-G125 PolarHBondContact O-N 3.01Å
126G38.9Very low46.7Very low86 Ų86114.8 Ų114.889%0.88773%0.732SS**  trans-73.2152.8-178.500000114.1
127G41.6Very low48.4Very low78 Ų78116.7 Ų116.780%0.80473%0.729SS**  trans125.9100.1154.500000117
128D43.5Very low50.2Low164 Ų164111 Ų11188%0.87770%0.703SS**  trans90.3110.4133.5-140.639.4000121.7
129D47.2Very low52.4Low163 Ų163108.8 Ų108.887%0.87269%0.686SS**SBendtrans58.549.2141.7-14029.7000122.3
130G49.6Very low54.7Low45 Ų45110.4 Ų110.446%0.46467%0.672SS.*  trans-145.112.2172.700000117.5G132 R133G130-G132 VanDerWaalsContact C-N 3.33Å; G130-G132 PolarHBondContact O-N 3.44Å; G130-R133 PolarHBondContact O-N 2.8Å
131S55.7Low57Low92 Ų92107.1 Ų107.164%0.64365%0.646SS**Hα-helixtrans-55-28.4-156.3178.80000117.5V135S131-V135 WeakPolarHBondContact O-CG2 3.07Å; S131-V135 PolarHBondContact O-N 3.04Å
132G58.3Low59.2Low63 Ų63106.2 Ų106.265%0.64964%0.636SS**Hα-helixtrans-71.7-35.5-175.700000115.1G130G130-G132 VanDerWaalsContact C-N 3.33Å; G130-G132 PolarHBondContact O-N 3.44Å
133R58.6Low61.6Low197 Ų197103.4 Ų103.474%0.74362%0.621SS**Hα-helixtrans-86.6-27.7-174.3-66.3-179.796.11442.1113.1G130 R137G130-R133 PolarHBondContact O-N 2.8Å; R133-R137 WeakPolarHBondContact O-CG 3.37Å; R133-R137 PolarHBondContact O-N 2.88Å
134E63.6Low64.1Low132 Ų132100.3 Ų100.362%0.61759%0.589SS**Hα-helixtrans-77.7-36.7177.8-69-175.5151.400112.2D136 R137 C138E134-D136 VanDerWaalsContact C-N 3.33Å; E134-R137 PolarHBondContact O-N 2.78Å; E134-C138 PolarHBondContact O-N 3.48Å; E134-C138 PolarHBondContact O-SG 3.16Å
135V66.9Low66.3Low88 Ų8891.4 Ų91.453%0.53355%0.548SS..Hα-helixtrans-63.8-40.5174.6172.90000110.9S131 C138 T139S131-V135 WeakPolarHBondContact O-CG2 3.07Å; S131-V135 PolarHBondContact O-N 3.04Å; V135-C138 PolarHBondContact O-N 2.79Å; V135-T139 WeakPolarHBondContact O-CB 3.41Å; V135-T139 PolarHBondContact O-N 3.32Å; V135-T139 PolarHBondContact O-OG1 2.89Å
136D76.1Confident68.8Low116 Ų11695.6 Ų95.662%0.6255%0.546SS*.Hα-helixtrans-64.8-42.5176.7-166.348.7000111.9E134 T139 R140E134-D136 VanDerWaalsContact C-N 3.33Å; D136-T139 PolarHBondContact O-N 3.29Å; D136-R140 WeakPolarHBondContact O-CB 3.24Å; D136-R140 PolarHBondContact O-N 2.76Å
137R73.9Confident71.1Confident122 Ų12295.8 Ų95.846%0.4652%0.523SS..Hα-helixtrans-63.7-44.1175-72.6-176.8-150.6-179.29.4113.1R133 E134 T139 R140 L141R133-R137 WeakPolarHBondContact O-CG 3.37Å; R133-R137 PolarHBondContact O-N 2.88Å; E134-R137 PolarHBondContact O-N 2.78Å; R137-T139 VanDerWaalsContact C-N 3.32Å; R137-R140 PolarHBondContact O-N 2.77Å; R137-L141 WeakPolarHBondContact O-CB 3.33Å; R137-L141 PolarHBondContact O-N 2.9Å
138C78.9Confident73.4Confident62 Ų6292 Ų9242%0.41949%0.485SS..Hα-helixtrans-63.9-40.5176.4-74.90000111.5E134 V135 R140 L141 L142E134-C138 PolarHBondContact O-N 3.48Å; E134-C138 PolarHBondContact O-SG 3.16Å; V135-C138 PolarHBondContact O-N 2.79Å; C138-R140 VanDerWaalsContact C-N 3.34Å; C138-L141 PolarHBondContact O-N 3.46Å; C138-L142 VanDerWaalsContact O-CG 3.31Å; C138-L142 WeakPolarHBondContact O-CG 3.19Å; C138-L142 PolarHBondContact O-N 3.4Å
139T85.7Confident75.5Confident64 Ų6487.7 Ų87.739%0.39347%0.468SS..Hα-helixtrans-61.3-46.3176.2-55.50000110.3V135 D136 R137 L141 L142 E143V135-T139 WeakPolarHBondContact O-CB 3.41Å; V135-T139 PolarHBondContact O-N 3.32Å; V135-T139 PolarHBondContact O-OG1 2.89Å; D136-T139 PolarHBondContact O-N 3.29Å; R137-T139 VanDerWaalsContact C-N 3.32Å; T139-L141 PolarHBondContact O-N 2.92Å; T139-L142 PolarHBondContact O-N 2.96Å; T139-E143 WeakPolarHBondContact O-CG 3.49Å; T139-E143 PolarHBondContact O-N 2.95Å
140R85.9Confident77.4Confident101 Ų10184.3 Ų84.338%0.38146%0.457SS..Hα-helixtrans-61.6-44.3176.9-174.557-177.4-107.317.5112.4D136 R137 C138 L142 E143 L144 E167D136-R140 WeakPolarHBondContact O-CB 3.24Å; D136-R140 PolarHBondContact O-N 2.76Å; R137-R140 PolarHBondContact O-N 2.77Å; C138-R140 VanDerWaalsContact C-N 3.34Å; R140-L142 VanDerWaalsContact C-N 3.31Å; R140-L142 PolarHBondContact O-N 3.09Å; R140-E143 WeakPolarHBondContact O-CB 3.33Å; R140-E143 PolarHBondContact O-N 2.91Å; R140-L144 WeakPolarHBondContact O-CG 3.41Å; R140-L144 PolarHBondContact O-N 2.84Å; R140-E167 IonicContact CZ-OE1 3.29Å; R140-E167 VanDerWaalsContact CZ-OE1 3.25Å; R140-E167 IonicContact CZ-OE2 3.06Å; R140-E167 IonicContact NH1-OE1 2.69Å; R140-E167 PolarHBondContact NH1-OE1 3Å; R140-E167 IonicContact NH2-OE1 3.9Å; R140-E167 PolarHBondContact NH2-OE1 2.8Å; R140-E167 IonicContact NH2-OE2 2.64Å; R140-E167 PolarHBondContact NH2-OE2 2.63Å
141L84.5Confident79.2Confident33 Ų3386 Ų8617%0.17345%0.449CS..Hα-helixtrans-58.8-44176.9-175.166.2000111.5R137 C138 T139 E143 L144 V145 A294 Y295R137-L141 WeakPolarHBondContact O-CB 3.33Å; R137-L141 PolarHBondContact O-N 2.9Å; C138-L141 PolarHBondContact O-N 3.46Å; T139-L141 PolarHBondContact O-N 2.92Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E143 PolarHBondContact O-N 3.35Å; L141-L144 PolarHBondContact O-N 3.25Å; L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.2Å; L141-V145 PolarHBondContact O-N 2.78Å; L141-A294 HydrophobicContact CD2-CB 4.06Å; L141-Y295 HydrophobicContact CD1-CD2 3.8Å; L141-Y295 HydrophobicContact CD1-CG 4.27Å
142L85.4Confident80.7Confident112 Ų11286 Ų8659%0.58644%0.442SS*.Hα-helixtrans-64-37177.9-72.4171.8000112.6C138 T139 R140 V145 K146C138-L142 VanDerWaalsContact O-CG 3.31Å; C138-L142 WeakPolarHBondContact O-CG 3.19Å; C138-L142 PolarHBondContact O-N 3.4Å; T139-L142 PolarHBondContact O-N 2.96Å; R140-L142 VanDerWaalsContact C-N 3.31Å; R140-L142 PolarHBondContact O-N 3.09Å; L142-V145 PolarHBondContact O-N 2.9Å; L142-K146 WeakPolarHBondContact O-CB 3.35Å; L142-K146 PolarHBondContact O-N 3.22Å
143E88.3Confident82.1Confident101 Ų10186.8 Ų86.847%0.47243%0.431SS..Hα-helixtrans-61.7-48.3173-71.3174.9168.900111.2T139 R140 L141 V145 K146 E147T139-E143 WeakPolarHBondContact O-CG 3.49Å; T139-E143 PolarHBondContact O-N 2.95Å; R140-E143 WeakPolarHBondContact O-CB 3.33Å; R140-E143 PolarHBondContact O-N 2.91Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E143 PolarHBondContact O-N 3.35Å; E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 3.05Å; E143-K146 WeakPolarHBondContact O-CB 3.18Å; E143-K146 PolarHBondContact O-N 3.34Å; E143-E147 PolarHBondContact O-N 3.38Å
144L87.8Confident83.6Confident4 Ų477.4 Ų77.42%0.02140%0.396CS..Hα-helixtrans-60.2-39.7177.8-63.4178.3000112R140 L141 V148 H164 L168 Y295R140-L144 WeakPolarHBondContact O-CG 3.41Å; R140-L144 PolarHBondContact O-N 2.84Å; L141-L144 PolarHBondContact O-N 3.25Å; L144-V148 PolarHBondContact O-N 2.91Å; L144-H164 HydrophobicContact CD1-CB 4.34Å; L144-H164 HydrophobicContact CD2-CB 4.23Å; L144-H164 PolarHBondContact O-CE1 3.22Å; L144-L168 HydrophobicContact CD1-CD1 4.04Å; L144-L168 HydrophobicContact CD1-CD2 3.82Å; L144-L168 HydrophobicContact CD1-CG 3.95Å; L144-Y295 HydrophobicContact CB-CD2 4.34Å; L144-Y295 HydrophobicContact CB-CE2 3.85Å
145V87.4Confident84.7Confident23 Ų2372.8 Ų72.814%0.13938%0.377CS..Hα-helixtrans-65.9-43.6176.41710000111.2L141 L142 E143 E147 V148 S149 F298L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.2Å; L141-V145 PolarHBondContact O-N 2.78Å; L142-V145 PolarHBondContact O-N 2.9Å; E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 3.05Å; V145-E147 VanDerWaalsContact C-N 3.29Å; V145-E147 PolarHBondContact O-N 3.42Å; V145-V148 VanDerWaalsContact O-CG2 3.23Å; V145-V148 WeakPolarHBondContact O-CG2 3.19Å; V145-V148 PolarHBondContact O-N 3.29Å; V145-S149 WeakPolarHBondContact O-CB 3.35Å; V145-S149 PolarHBondContact O-N 3.24Å; V145-S149 VanDerWaalsContact O-N 3.09Å; V145-F298 HydrophobicContact CG1-CB 4.11Å; V145-F298 HydrophobicContact CG1-CD1 4.01Å; V145-F298 HydrophobicContact CG1-CG 4.11Å; V145-F298 HydrophobicContact CG2-CB 3.62Å; V145-F298 HydrophobicContact CG2-CD1 4.33Å; V145-F298 HydrophobicContact CG2-CD2 3.82Å; V145-F298 HydrophobicContact CG2-CG 3.66Å
146K87.4Confident85.6Confident162 Ų16269.6 Ų69.670%0.70436%0.36SS*.Hα-helixtrans-60.9-40.6178.6-174.5-179.7177.4-175.80111.4L142 E143 S149L142-K146 WeakPolarHBondContact O-CB 3.35Å; L142-K146 PolarHBondContact O-N 3.22Å; E143-K146 WeakPolarHBondContact O-CB 3.18Å; E143-K146 PolarHBondContact O-N 3.34Å; K146-S149 PolarHBondContact O-OG 2.91Å
147E87.9Confident86.3Confident89 Ų8964.1 Ų64.142%0.41633%0.33SS..Hα-helixtrans-62.8-48.8178-72.9-175.1-174.300112.4E143 V145 S149 S150 Y151 K160 H164E143-E147 PolarHBondContact O-N 3.38Å; V145-E147 VanDerWaalsContact C-N 3.29Å; V145-E147 PolarHBondContact O-N 3.42Å; E147-S149 VanDerWaalsContact C-N 3.31Å; E147-S149 PolarHBondContact O-N 3.46Å; E147-S150 PolarHBondContact O-OG 3.34Å; E147-S150 VanDerWaalsContact O-OG 3.04Å; E147-Y151 VanDerWaalsContact O-CD2 3.3Å; E147-Y151 WeakPolarHBondContact O-CD2 3.06Å; E147-Y151 VanDerWaalsContact O-CE2 3.27Å; E147-Y151 WeakPolarHBondContact O-CE2 3.24Å; E147-K160 WeakPolarHBondContact OE2-CE 3.47Å; E147-K160 IonicContact OE2-NZ 3.02Å; E147-K160 PolarHBondContact OE2-NZ 2.82Å; E147-H164 IonicContact OE2-CE1 3.9Å; E147-H164 IonicContact OE2-NE2 2.83Å; E147-H164 PolarHBondContact OE2-NE2 2.9Å
148V88.1Confident87Confident0 Ų058.4 Ų58.40%031%0.309CS..Hα-helixtrans-68.9-28.3-178.2-64.80000113.1L144 V145 S150 Y151 L157 K160 I161 V302L144-V148 PolarHBondContact O-N 2.91Å; V145-V148 VanDerWaalsContact O-CG2 3.23Å; V145-V148 WeakPolarHBondContact O-CG2 3.19Å; V145-V148 PolarHBondContact O-N 3.29Å; V148-S150 PolarHBondContact O-N 3.32Å; V148-Y151 PolarHBondContact O-N 3.11Å; V148-Y151 VanDerWaalsContact O-N 3.1Å; V148-L157 HydrophobicContact CB-CD1 3.73Å; V148-L157 HydrophobicContact CG1-CD1 4.15Å; V148-K160 HydrophobicContact CG1-CB 4.43Å; V148-K160 HydrophobicContact CG1-CG 3.96Å; V148-I161 HydrophobicContact CG1-CG1 4.18Å; V148-V302 HydrophobicContact CG2-CG2 4.33Å; V148-V302 WeakPolarHBondContact O-CG1 3.43Å
149S87.5Confident87.4Confident73 Ų7356.8 Ų56.851%0.5130%0.295SS..THydrogen-bonded Turntrans-60.5-19.2-176.7730000115.2V145 K146 E147V145-S149 WeakPolarHBondContact O-CB 3.35Å; V145-S149 PolarHBondContact O-N 3.24Å; V145-S149 VanDerWaalsContact O-N 3.09Å; K146-S149 PolarHBondContact O-OG 2.91Å; E147-S149 VanDerWaalsContact C-N 3.31Å; E147-S149 PolarHBondContact O-N 3.46Å
150S87.3Confident87.5Confident92 Ų9255.8 Ų55.864%0.64329%0.285SS*.THydrogen-bonded Turntrans-86.2-9.7-179.7660000114.3E147 V148E147-S150 PolarHBondContact O-OG 3.34Å; E147-S150 VanDerWaalsContact O-OG 3.04Å; V148-S150 PolarHBondContact O-N 3.32Å
151Y88Confident87.7Confident80 Ų8051 Ų5131%0.31427%0.267SS..  trans-91.1123.4-174.6-69.9-98.7000111.6E147 V148 A156 K160E147-Y151 VanDerWaalsContact O-CD2 3.3Å; E147-Y151 WeakPolarHBondContact O-CD2 3.06Å; E147-Y151 VanDerWaalsContact O-CE2 3.27Å; E147-Y151 WeakPolarHBondContact O-CE2 3.24Å; V148-Y151 PolarHBondContact O-N 3.11Å; V148-Y151 VanDerWaalsContact O-N 3.1Å; Y151-A156 HydrophobicContact CD1-CB 3.86Å; Y151-A156 HydrophobicContact CE1-CB 4.11Å; Y151-K160 HydrophobicContact CE2-CG 4.14Å
152L86.6Confident87.7Confident91 Ų9149.5 Ų49.548%0.47626%0.259SS..  trans-105.1-14.4171.3-65.8175.8000113.1Y309L152-Y309 HydrophobicContact CB-CD1 3.91Å; L152-Y309 HydrophobicContact CB-CE1 4.19Å; L152-Y309 HydrophobicContact CB-CG 4.43Å; L152-Y309 HydrophobicContact CD1-CD1 4.43Å; L152-Y309 HydrophobicContact CD1-CD2 4.45Å; L152-Y309 HydrophobicContact CD1-CE1 4.32Å; L152-Y309 HydrophobicContact CD1-CE2 4.35Å; L152-Y309 HydrophobicContact CD1-CG 4.49Å; L152-Y309 HydrophobicContact CD2-CG 4.41Å
153D88.1Confident87.7Confident80 Ų8047 Ų4743%0.42825%0.246SC..  trans-82.4118.9171.2171.131000109.9T155 A156 L157D153-T155 PolarHBondContact O-N 3.33Å; D153-T155 PolarHBondContact OD1-N 2.89Å; D153-A156 HydrophobicContact CB-CB 4.17Å; D153-A156 VanDerWaalsContact OD2-CB 3.23Å; D153-A156 WeakPolarHBondContact OD2-CB 3.36Å; D153-A156 PolarHBondContact OD2-N 2.95Å; D153-L157 WeakPolarHBondContact O-CB 3.2Å; D153-L157 PolarHBondContact O-N 2.9Å
154V89.6Confident87.7Confident1 Ų142.4 Ų42.41%0.00623%0.225CC..Hα-helixtrans-57.4-39.4179.7177.30000111.1C158 L178 L303 A306 Q307 E310V154-C158 WeakPolarHBondContact O-CB 3.49Å; V154-C158 PolarHBondContact O-N 3.16Å; V154-C158 PolarHBondContact O-SG 2.88Å; V154-L178 HydrophobicContact CG1-CD1 3.6Å; V154-L303 HydrophobicContact CG1-CD1 4.12Å; V154-A306 HydrophobicContact CG2-CB 3.94Å; V154-Q307 HydrophobicContact CG2-CG 4.16Å; V154-E310 HydrophobicContact CG2-CB 4.44Å
155T86.6Confident87.6Confident35 Ų3542.2 Ų42.222%0.21522%0.224CC..Hα-helixtrans-70.5-51.7-175.4-51.20000111.1D153 L157 C158 H159 R192D153-T155 PolarHBondContact O-N 3.33Å; D153-T155 PolarHBondContact OD1-N 2.89Å; T155-L157 VanDerWaalsContact C-N 3.3Å; T155-L157 PolarHBondContact O-N 2.71Å; T155-C158 PolarHBondContact O-N 3.46Å; T155-H159 PolarHBondContact O-N 2.73Å; T155-H159 VanDerWaalsContact O-N 3.1Å; T155-R192 PolarHBondContact OG1-NH1 3.02Å
156A87.1Confident87.5Confident21 Ų2142.6 Ų42.617%0.17423%0.225CC..Hα-helixtrans-60.2-39.917500000112.4Y151 D153 H159 K160Y151-A156 HydrophobicContact CD1-CB 3.86Å; Y151-A156 HydrophobicContact CE1-CB 4.11Å; D153-A156 HydrophobicContact CB-CB 4.17Å; D153-A156 VanDerWaalsContact OD2-CB 3.23Å; D153-A156 WeakPolarHBondContact OD2-CB 3.36Å; D153-A156 PolarHBondContact OD2-N 2.95Å; A156-H159 PolarHBondContact O-N 3.32Å; A156-K160 PolarHBondContact O-N 3.44Å
157L90.6Very high87.4Confident0 Ų040 Ų400%022%0.215CC..Hα-helixtrans-61.7-47.4176.2175.159.4000111.7V148 D153 T155 H159 K160 I161 V302 L303 A306V148-L157 HydrophobicContact CB-CD1 3.73Å; V148-L157 HydrophobicContact CG1-CD1 4.15Å; D153-L157 WeakPolarHBondContact O-CB 3.2Å; D153-L157 PolarHBondContact O-N 2.9Å; T155-L157 VanDerWaalsContact C-N 3.3Å; T155-L157 PolarHBondContact O-N 2.71Å; L157-H159 VanDerWaalsContact C-N 3.27Å; L157-H159 PolarHBondContact O-N 2.98Å; L157-K160 PolarHBondContact O-N 3.13Å; L157-K160 VanDerWaalsContact O-N 3.15Å; L157-I161 HydrophobicContact CD1-CD1 3.77Å; L157-I161 HydrophobicContact CD1-CG1 3.96Å; L157-I161 HydrophobicContact CD2-CD1 4.42Å; L157-I161 HydrophobicContact CG-CD1 3.72Å; L157-I161 HydrophobicContact CG-CG1 4.35Å; L157-I161 WeakPolarHBondContact O-CB 3.32Å; L157-I161 VanDerWaalsContact O-CG1 3.31Å; L157-I161 WeakPolarHBondContact O-CG1 3.18Å; L157-I161 PolarHBondContact O-N 2.83Å; L157-V302 HydrophobicContact CD1-CG1 3.85Å; L157-V302 HydrophobicContact CD2-CG1 3.81Å; L157-L303 HydrophobicContact CD2-CB 4.22Å; L157-L303 HydrophobicContact CD2-CD1 3.99Å; L157-A306 HydrophobicContact CD2-CB 3.81Å
158C89.1Confident87.2Confident2 Ų238.3 Ų38.31%0.01421%0.209CC..Hα-helixtrans-58.9-41.1177.5-70.80000111.8V154 T155 I161 F162 L176 L193V154-C158 WeakPolarHBondContact O-CB 3.49Å; V154-C158 PolarHBondContact O-N 3.16Å; V154-C158 PolarHBondContact O-SG 2.88Å; T155-C158 PolarHBondContact O-N 3.46Å; C158-I161 PolarHBondContact O-N 2.89Å; C158-F162 VanDerWaalsContact O-CB 3.31Å; C158-F162 WeakPolarHBondContact O-CB 3.23Å; C158-F162 PolarHBondContact O-N 3.31Å; C158-L176 HydrophobicContact CB-CD1 4.46Å; C158-L176 HydrophobicContact CB-CD2 4.1Å; C158-L193 VanDerWaalsContact C-CD1 3.46Å; C158-L193 HydrophobicContact CB-CD1 3.77Å
159H85.9Confident87Confident28 Ų2838.4 Ų38.413%0.1321%0.209CC..Hα-helixtrans-64.3-41.8177.3-176.6-97.7000111.4T155 A156 L157 F162 L163 L193 L202T155-H159 PolarHBondContact O-N 2.73Å; T155-H159 VanDerWaalsContact O-N 3.1Å; A156-H159 PolarHBondContact O-N 3.32Å; L157-H159 VanDerWaalsContact C-N 3.27Å; L157-H159 PolarHBondContact O-N 2.98Å; H159-F162 WeakPolarHBondContact O-CB 3.5Å; H159-F162 PolarHBondContact O-N 3.02Å; H159-L163 WeakPolarHBondContact O-CG 3.42Å; H159-L163 PolarHBondContact O-N 2.98Å; H159-L193 HydrophobicContact CB-CD1 4.14Å; H159-L202 HydrophobicContact CB-CD1 3.6Å
160K88.4Confident87Confident44 Ų4438.7 Ų38.719%0.19121%0.208CC..Hα-helixtrans-67.5-43.4177.4-168.156.1163.8146.30112.4E147 V148 Y151 A156 L157 F162 L163 H164E147-K160 WeakPolarHBondContact OE2-CE 3.47Å; E147-K160 IonicContact OE2-NZ 3.02Å; E147-K160 PolarHBondContact OE2-NZ 2.82Å; V148-K160 HydrophobicContact CG1-CB 4.43Å; V148-K160 HydrophobicContact CG1-CG 3.96Å; Y151-K160 HydrophobicContact CE2-CG 4.14Å; A156-K160 PolarHBondContact O-N 3.44Å; L157-K160 PolarHBondContact O-N 3.13Å; L157-K160 VanDerWaalsContact O-N 3.15Å; K160-F162 VanDerWaalsContact C-N 3.28Å; K160-F162 PolarHBondContact O-N 2.54Å; K160-L163 PolarHBondContact O-N 3.14Å; K160-H164 WeakPolarHBondContact CD-NE2 3.42Å; K160-H164 WeakPolarHBondContact CE-NE2 3.48Å; K160-H164 PolarHBondContact NZ-NE2 2.83Å; K160-H164 PolarHBondContact O-CD2 3.27Å; K160-H164 VanDerWaalsContact O-CD2 3.26Å; K160-H164 PolarHBondContact O-N 2.84Å; K160-H164 VanDerWaalsContact O-N 3.11Å
161I89.4Confident87.1Confident0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-55.7-46.9172.8-72168.2000110V148 L157 C158 L163 H164 I165 L176 Y295V148-I161 HydrophobicContact CG1-CG1 4.18Å; L157-I161 HydrophobicContact CD1-CD1 3.77Å; L157-I161 HydrophobicContact CD1-CG1 3.96Å; L157-I161 HydrophobicContact CD2-CD1 4.42Å; L157-I161 HydrophobicContact CG-CD1 3.72Å; L157-I161 HydrophobicContact CG-CG1 4.35Å; L157-I161 WeakPolarHBondContact O-CB 3.32Å; L157-I161 VanDerWaalsContact O-CG1 3.31Å; L157-I161 WeakPolarHBondContact O-CG1 3.18Å; L157-I161 PolarHBondContact O-N 2.83Å; C158-I161 PolarHBondContact O-N 2.89Å; I161-L163 PolarHBondContact O-N 2.82Å; I161-H164 PolarHBondContact O-N 2.76Å; I161-I165 HydrophobicContact CG2-CD1 3.5Å; I161-I165 VanDerWaalsContact CG2-CD1 3.5Å; I161-I165 HydrophobicContact CG2-CG1 4.44Å; I161-I165 VanDerWaalsContact O-CD1 3.31Å; I161-I165 WeakPolarHBondContact O-CD1 3.41Å; I161-I165 WeakPolarHBondContact O-CG1 3.44Å; I161-I165 PolarHBondContact O-N 2.84Å; I161-L176 HydrophobicContact CB-CD1 4.37Å; I161-L176 HydrophobicContact CG2-CD1 3.82Å; I161-Y295 HydrophobicContact CG2-CE1 4.18Å
162F85.5Confident87Confident2 Ų234 Ų341%0.00918%0.181CC..Hα-helixtrans-57.5-49177.8-174.8-74.2000112.2C158 H159 K160 H164 I165 N166 Y174 L193 V196C158-F162 VanDerWaalsContact O-CB 3.31Å; C158-F162 WeakPolarHBondContact O-CB 3.23Å; C158-F162 PolarHBondContact O-N 3.31Å; H159-F162 WeakPolarHBondContact O-CB 3.5Å; H159-F162 PolarHBondContact O-N 3.02Å; K160-F162 VanDerWaalsContact C-N 3.28Å; K160-F162 PolarHBondContact O-N 2.54Å; F162-H164 VanDerWaalsContact C-N 3.29Å; F162-H164 PolarHBondContact O-N 3.31Å; F162-I165 WeakPolarHBondContact O-CB 3.48Å; F162-I165 PolarHBondContact O-N 3.03Å; F162-I165 VanDerWaalsContact O-N 3.17Å; F162-N166 PolarHBondContact O-N 2.91Å; F162-N166 VanDerWaalsContact O-N 3.09Å; F162-Y174 HydrophobicContact CE1-CD2 4.25Å; F162-Y174 VanDerWaalsContact CE2-C 3.48Å; F162-Y174 VanDerWaalsContact CE2-O 3.31Å; F162-Y174 WeakPolarHBondContact CE2-O 3.43Å; F162-Y174 AromaticContact CZ-CD2 3.94Å; F162-Y174 HydrophobicContact CZ-CD2 3.94Å; F162-Y174 HydrophobicContact CZ-CG 4.18Å; F162-L193 HydrophobicContact CB-CD1 4.35Å; F162-V196 HydrophobicContact CD1-CB 3.79Å; F162-V196 HydrophobicContact CD1-CG1 3.53Å; F162-V196 HydrophobicContact CE1-CB 3.33Å; F162-V196 HydrophobicContact CE1-CG1 3.4Å; F162-V196 VanDerWaalsContact CE1-CG1 3.4Å; F162-V196 HydrophobicContact CE1-CG2 4.42Å; F162-V196 WeakPolarHBondContact CE1-O 3.26Å; F162-V196 HydrophobicContact CE2-CB 4.08Å; F162-V196 HydrophobicContact CG-CB 4.42Å; F162-V196 HydrophobicContact CG-CG1 4.4Å; F162-V196 HydrophobicContact CZ-CB 3.47Å; F162-V196 VanDerWaalsContact CZ-CB 3.47Å; F162-V196 HydrophobicContact CZ-CG1 4.11Å; F162-V196 HydrophobicContact CZ-CG2 4.38Å; F162-V196 VanDerWaalsContact CZ-O 3.31Å; F162-V196 WeakPolarHBondContact CZ-O 3.3Å
163L85.4Confident86.9Confident59 Ų5933.4 Ų33.431%0.30917%0.173SC..Hα-helixtrans-59.5-40.3179.9-71.3174.4000112.2H159 K160 I161 I165 N166 E167H159-L163 WeakPolarHBondContact O-CG 3.42Å; H159-L163 PolarHBondContact O-N 2.98Å; K160-L163 PolarHBondContact O-N 3.14Å; I161-L163 PolarHBondContact O-N 2.82Å; L163-I165 VanDerWaalsContact C-N 3.32Å; L163-I165 PolarHBondContact O-N 3.22Å; L163-N166 PolarHBondContact O-N 3.43Å; L163-E167 PolarHBondContact O-N 3.2Å
164H88.6Confident86.8Confident4 Ų429.9 Ų29.92%0.01915%0.153CC..Hα-helixtrans-67.1-36.9178.8-67.1-169.1000111.7L144 E147 K160 I161 F162 N166 E167 L168 Y295L144-H164 HydrophobicContact CD1-CB 4.34Å; L144-H164 HydrophobicContact CD2-CB 4.23Å; L144-H164 PolarHBondContact O-CE1 3.22Å; E147-H164 IonicContact OE2-CE1 3.9Å; E147-H164 IonicContact OE2-NE2 2.83Å; E147-H164 PolarHBondContact OE2-NE2 2.9Å; K160-H164 WeakPolarHBondContact CD-NE2 3.42Å; K160-H164 WeakPolarHBondContact CE-NE2 3.48Å; K160-H164 PolarHBondContact NZ-NE2 2.83Å; K160-H164 PolarHBondContact O-CD2 3.27Å; K160-H164 VanDerWaalsContact O-CD2 3.26Å; K160-H164 PolarHBondContact O-N 2.84Å; K160-H164 VanDerWaalsContact O-N 3.11Å; I161-H164 PolarHBondContact O-N 2.76Å; F162-H164 VanDerWaalsContact C-N 3.29Å; F162-H164 PolarHBondContact O-N 3.31Å; H164-N166 VanDerWaalsContact C-N 3.35Å; H164-E167 PolarHBondContact O-N 2.95Å; H164-E167 VanDerWaalsContact O-N 3.16Å; H164-L168 VanDerWaalsContact O-CG 3.3Å; H164-L168 WeakPolarHBondContact O-CG 3.17Å; H164-L168 PolarHBondContact O-N 3.15Å; H164-Y295 HydrophobicContact CB-CE1 3.87Å; H164-Y295 HydrophobicContact CB-CE2 4.22Å; H164-Y295 WeakPolarHBondContact CB-OH 3.21Å; H164-Y295 AromaticContact ND1-CE2 3.95Å; H164-Y295 AromaticContact ND1-CZ 3.71Å; H164-Y295 PolarHBondContact ND1-OH 2.98Å
165I85.8Confident86.6Confident1 Ų130.1 Ų30.11%0.00516%0.155CC..Hα-helixtrans-66-40.7178.6-69.7164.2000111.1I161 F162 L163 E167 L168 I169 Y174 V271 F292 Y295 L296I161-I165 HydrophobicContact CG2-CD1 3.5Å; I161-I165 VanDerWaalsContact CG2-CD1 3.5Å; I161-I165 HydrophobicContact CG2-CG1 4.44Å; I161-I165 VanDerWaalsContact O-CD1 3.31Å; I161-I165 WeakPolarHBondContact O-CD1 3.41Å; I161-I165 WeakPolarHBondContact O-CG1 3.44Å; I161-I165 PolarHBondContact O-N 2.84Å; F162-I165 WeakPolarHBondContact O-CB 3.48Å; F162-I165 PolarHBondContact O-N 3.03Å; F162-I165 VanDerWaalsContact O-N 3.17Å; L163-I165 VanDerWaalsContact C-N 3.32Å; L163-I165 PolarHBondContact O-N 3.22Å; I165-E167 PolarHBondContact O-N 3.41Å; I165-L168 PolarHBondContact O-N 3.41Å; I165-I169 PolarHBondContact O-N 3.09Å; I165-I169 VanDerWaalsContact O-N 3.09Å; I165-Y174 HydrophobicContact CG2-CD1 3.75Å; I165-Y174 HydrophobicContact CG2-CE1 4.1Å; I165-Y174 HydrophobicContact CG2-CG 4.47Å; I165-V271 HydrophobicContact CD1-CG1 3.97Å; I165-V271 HydrophobicContact CD1-CG2 4Å; I165-V271 HydrophobicContact CG2-CG1 4.4Å; I165-F292 HydrophobicContact CB-CE2 4.09Å; I165-F292 HydrophobicContact CB-CZ 4.44Å; I165-F292 HydrophobicContact CD1-CE2 3.75Å; I165-F292 HydrophobicContact CD1-CZ 4.37Å; I165-F292 HydrophobicContact CG1-CD2 4.43Å; I165-F292 HydrophobicContact CG1-CE2 3.61Å; I165-F292 HydrophobicContact CG1-CZ 4.36Å; I165-F292 HydrophobicContact CG2-CD2 4.42Å; I165-F292 HydrophobicContact CG2-CE1 4.33Å; I165-F292 HydrophobicContact CG2-CE2 3.38Å; I165-F292 HydrophobicContact CG2-CZ 3.3Å; I165-Y295 HydrophobicContact CD1-CD1 4.46Å; I165-Y295 HydrophobicContact CD1-CE1 4.2Å; I165-Y295 HydrophobicContact CG1-CD1 3.82Å; I165-Y295 HydrophobicContact CG1-CE1 3.71Å; I165-L296 HydrophobicContact CD1-CD2 3.89Å
166N84.5Confident86.7Confident30 Ų3028.6 Ų28.616%0.1615%0.146CC..Hα-helixtrans-63.4-28.1174.5-176.536.3000112.7F162 L163 H164 Y174F162-N166 PolarHBondContact O-N 2.91Å; F162-N166 VanDerWaalsContact O-N 3.09Å; L163-N166 PolarHBondContact O-N 3.43Å; H164-N166 VanDerWaalsContact C-N 3.35Å; N166-Y174 HydrophobicContact CB-CD2 4.2Å; N166-Y174 HydrophobicContact CB-CE2 3.77Å; N166-Y174 WeakPolarHBondContact OD1-CE2 3.47Å; N166-Y174 PolarHBondContact OD1-OH 2.96Å
167E84.4Confident86.9Confident107 Ų10727.9 Ų27.950%0.514%0.139SC..Hα-helixtrans-80.2-35.2175-176.4169.2-151.900112.9R140 L163 H164 I165R140-E167 IonicContact CZ-OE1 3.29Å; R140-E167 VanDerWaalsContact CZ-OE1 3.25Å; R140-E167 IonicContact CZ-OE2 3.06Å; R140-E167 IonicContact NH1-OE1 2.69Å; R140-E167 PolarHBondContact NH1-OE1 3Å; R140-E167 IonicContact NH2-OE1 3.9Å; R140-E167 PolarHBondContact NH2-OE1 2.8Å; R140-E167 IonicContact NH2-OE2 2.64Å; R140-E167 PolarHBondContact NH2-OE2 2.63Å; L163-E167 PolarHBondContact O-N 3.2Å; H164-E167 PolarHBondContact O-N 2.95Å; H164-E167 VanDerWaalsContact O-N 3.16Å; I165-E167 PolarHBondContact O-N 3.41Å
168L84.5Confident87Confident54 Ų5428.2 Ų28.228%0.28314%0.14SC..Hα-helixtrans-73.4-38.5-177.8-73.3171.5000113L144 H164 I165 Y295L144-L168 HydrophobicContact CD1-CD1 4.04Å; L144-L168 HydrophobicContact CD1-CD2 3.82Å; L144-L168 HydrophobicContact CD1-CG 3.95Å; H164-L168 VanDerWaalsContact O-CG 3.3Å; H164-L168 WeakPolarHBondContact O-CG 3.17Å; H164-L168 PolarHBondContact O-N 3.15Å; I165-L168 PolarHBondContact O-N 3.41Å; L168-Y295 HydrophobicContact CD1-CD1 3.78Å; L168-Y295 HydrophobicContact CD1-CD2 4.08Å; L168-Y295 HydrophobicContact CD1-CG 3.52Å
169I85.1Confident87.2Confident2 Ų229.2 Ų29.21%0.0115%0.147CC..SBendtrans-126.3142.5-175.4-60.3171.1000107.6I165 Y174 L256 F284 F292I165-I169 PolarHBondContact O-N 3.09Å; I165-I169 VanDerWaalsContact O-N 3.09Å; I169-Y174 PolarHBondContact O-OH 3.34Å; I169-L256 HydrophobicContact CD1-CD2 4.32Å; I169-F284 HydrophobicContact CG2-CD1 3.98Å; I169-F284 HydrophobicContact CG2-CE1 3.66Å; I169-F292 HydrophobicContact CD1-CB 3.49Å; I169-F292 VanDerWaalsContact CD1-CB 3.49Å; I169-F292 HydrophobicContact CD1-CD1 3.16Å; I169-F292 HydrophobicContact CD1-CD2 4.01Å; I169-F292 HydrophobicContact CD1-CE1 3.78Å; I169-F292 HydrophobicContact CD1-CG 3.28Å; I169-F292 HydrophobicContact CD1-CZ 4.41Å
170T86.7Confident87.4Confident80 Ų8028.8 Ų28.849%0.49115%0.149SC..  trans-100.798.9178.848.70000110.4K277T170-K277 PolarHBondContact O-N 3.41Å
171A88.3Confident87.5Confident0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-128.9165.8176.300000111.3Y174 A273 I274 N275 K277 F284A171-Y174 WeakPolarHBondContact CA-OH 3.26Å; A171-Y174 HydrophobicContact CB-CD1 4.4Å; A171-Y174 HydrophobicContact CB-CE1 3.6Å; A171-Y174 HydrophobicContact CB-CE2 4.37Å; A171-Y174 PolarHBondContact N-OH 3.07Å; A171-Y174 PolarHBondContact O-OH 3.49Å; A171-A273 HydrophobicContact CB-CB 4.09Å; A171-I274 WeakPolarHBondContact CB-O 3.35Å; A171-N275 CarbonylContact C-O 3.57Å; A171-N275 VanDerWaalsContact CA-O 3.23Å; A171-N275 WeakPolarHBondContact CA-O 3.42Å; A171-K277 WeakPolarHBondContact O-CD 3.37Å; A171-K277 WeakPolarHBondContact O-CE 3.33Å; A171-K277 PolarHBondContact O-NZ 3.29Å; A171-F284 HydrophobicContact CB-CE1 4.11Å; A171-F284 HydrophobicContact CB-CZ 3.95Å
172D86.7Confident87.5Confident72 Ų7229.7 Ų29.739%0.38516%0.155SC..EExtended strand (participates in β ladder)trans-72.8-46.4179.8-166.338000111.7Y250 I274 N275D172-Y250 WeakPolarHBondContact OD2-CE2 3.5Å; D172-Y250 VanDerWaalsContact OD2-CZ 3.26Å; D172-Y250 PolarHBondContact OD2-OH 3.26Å; D172-I274 PolarHBondContact N-O 3.05Å; D172-N275 HydrophobicContact CB-CB 3.77Å; D172-N275 PolarHBondContact N-O 2.93Å
173R84.5Confident87.5Confident80 Ų8033 Ų3330%0.30218%0.178SC..EExtended strand (participates in β ladder)trans-139.1154.4-178.8-59.4179.1-177.5-132.9-0111D195 Y250 I274R173-D195 VanDerWaalsContact CD-OD1 3.23Å; R173-D195 WeakPolarHBondContact CD-OD1 3.3Å; R173-D195 WeakPolarHBondContact CG-OD1 3.4Å; R173-D195 IonicContact CZ-OD1 2.78Å; R173-D195 IonicContact CZ-OD2 3.21Å; R173-D195 IonicContact NE-OD1 3.27Å; R173-D195 IonicContact NH1-OD1 2.95Å; R173-D195 PolarHBondContact NH1-OD1 3.46Å; R173-D195 IonicContact NH1-OD2 3.7Å; R173-D195 PolarHBondContact NH1-OD2 3.26Å; R173-Y250 VanDerWaalsContact NE-CZ 3.29Å; R173-I274 HydrophobicContact CB-CB 4.32Å; R173-I274 PolarHBondContact N-O 3.18Å; R173-I274 VanDerWaalsContact N-O 3.16Å; R173-I274 PolarHBondContact O-N 3.31Å
174Y85.5Confident87.5Confident5 Ų534 Ų342%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-132.6159.2168.7-40.7-102.3000109.8F162 I165 N166 I169 A171 Q272 A273F162-Y174 HydrophobicContact CE1-CD2 4.25Å; F162-Y174 VanDerWaalsContact CE2-C 3.48Å; F162-Y174 VanDerWaalsContact CE2-O 3.31Å; F162-Y174 WeakPolarHBondContact CE2-O 3.43Å; F162-Y174 AromaticContact CZ-CD2 3.94Å; F162-Y174 HydrophobicContact CZ-CD2 3.94Å; F162-Y174 HydrophobicContact CZ-CG 4.18Å; I165-Y174 HydrophobicContact CG2-CD1 3.75Å; I165-Y174 HydrophobicContact CG2-CE1 4.1Å; I165-Y174 HydrophobicContact CG2-CG 4.47Å; N166-Y174 HydrophobicContact CB-CD2 4.2Å; N166-Y174 HydrophobicContact CB-CE2 3.77Å; N166-Y174 WeakPolarHBondContact OD1-CE2 3.47Å; N166-Y174 PolarHBondContact OD1-OH 2.96Å; I169-Y174 PolarHBondContact O-OH 3.34Å; A171-Y174 WeakPolarHBondContact CA-OH 3.26Å; A171-Y174 HydrophobicContact CB-CD1 4.4Å; A171-Y174 HydrophobicContact CB-CE1 3.6Å; A171-Y174 HydrophobicContact CB-CE2 4.37Å; A171-Y174 PolarHBondContact N-OH 3.07Å; A171-Y174 PolarHBondContact O-OH 3.49Å; Y174-Q272 CarbonylContact C-O 3.52Å; Y174-Q272 WeakPolarHBondContact CA-O 3.45Å; Y174-A273 HydrophobicContact CD1-CB 3.57Å; Y174-A273 HydrophobicContact CE1-CB 3.79Å
175S85.7Confident87.4Confident7 Ų738.9 Ų38.95%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-145.7145.417251.90000109.8F177 V271 Q272S175-F177 WeakPolarHBondContact OG-CE2 3.39Å; S175-V271 WeakPolarHBondContact O-CA 3.47Å; S175-V271 WeakPolarHBondContact O-CG1 3.12Å; S175-Q272 PolarHBondContact N-O 3.38Å; S175-Q272 PolarHBondContact O-N 3.16Å; S175-Q272 PolarHBondContact OG-OE1 3.4Å
176L89Confident87.5Confident2 Ų246.4 Ų46.41%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-125126.3179-175.6154.7000109.1C158 I161 L178 S191 I260 V271C158-L176 HydrophobicContact CB-CD1 4.46Å; C158-L176 HydrophobicContact CB-CD2 4.1Å; I161-L176 HydrophobicContact CB-CD1 4.37Å; I161-L176 HydrophobicContact CG2-CD1 3.82Å; L176-L178 HydrophobicContact CD2-CD2 3.83Å; L176-L178 HydrophobicContact CD2-CG 3.98Å; L176-S191 WeakPolarHBondContact O-CA 3.09Å; L176-S191 VanDerWaalsContact O-CB 3.26Å; L176-S191 WeakPolarHBondContact O-CB 3.31Å; L176-S191 PolarHBondContact O-OG 3.25Å; L176-I260 HydrophobicContact CD1-CD1 4.31Å; L176-I260 HydrophobicContact CG-CD1 4.48Å; L176-V271 HydrophobicContact CD1-CG2 4.17Å; L176-V271 HydrophobicContact CG-CG2 4.23Å
177F91.3Very high87.9Confident6 Ų649.6 Ų49.63%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-113.7132.4178.3-60.4-94.9000109.3S175 L189 V190 S191 F194 L212 V219 G269 V270S175-F177 WeakPolarHBondContact OG-CE2 3.39Å; F177-L189 HydrophobicContact CB-CB 4.33Å; F177-L189 HydrophobicContact CB-CD2 4.37Å; F177-V190 CarbonylContact C-O 3.57Å; F177-S191 VanDerWaalsContact CE1-CB 3.47Å; F177-F194 HydrophobicContact CE1-CE1 4.41Å; F177-F194 HydrophobicContact CE1-CE2 4.39Å; F177-F194 AromaticContact CE1-CZ 3.64Å; F177-F194 HydrophobicContact CE1-CZ 3.64Å; F177-F194 HydrophobicContact CZ-CE1 4.06Å; F177-F194 AromaticContact CZ-CZ 3.74Å; F177-F194 HydrophobicContact CZ-CZ 3.74Å; F177-L212 HydrophobicContact CD1-CD1 3.85Å; F177-L212 HydrophobicContact CE1-CD1 3.41Å; F177-L212 VanDerWaalsContact CE1-CD1 3.41Å; F177-L212 HydrophobicContact CE1-CG 4.23Å; F177-L212 HydrophobicContact CZ-CD1 4.06Å; F177-V219 HydrophobicContact CB-CG1 4.08Å; F177-V219 HydrophobicContact CD1-CG1 4.33Å; F177-V219 HydrophobicContact CD2-CB 4.45Å; F177-V219 HydrophobicContact CD2-CG1 3.47Å; F177-V219 VanDerWaalsContact CD2-CG1 3.47Å; F177-V219 HydrophobicContact CD2-CG2 4.18Å; F177-V219 HydrophobicContact CE2-CB 4.45Å; F177-V219 HydrophobicContact CE2-CG1 3.93Å; F177-V219 HydrophobicContact CE2-CG2 3.79Å; F177-V219 HydrophobicContact CG-CG1 3.7Å; F177-V219 HydrophobicContact CZ-CG2 4.25Å; F177-G269 CarbonylContact O-C 3.55Å; F177-G269 WeakPolarHBondContact O-CA 3.5Å; F177-V270 HydrophobicContact CB-CB 4.46Å; F177-V270 PolarHBondContact N-O 3.09Å; F177-V270 PolarHBondContact O-N 2.72Å
178L92.6Very high88.2Confident7 Ų745.6 Ų45.64%0.03724%0.237CC..EExtended strand (participates in β ladder)trans-96.9140.2172.8-66.3178000109.9V154 L176 G180 L189 V190 L303V154-L178 HydrophobicContact CG1-CD1 3.6Å; L176-L178 HydrophobicContact CD2-CD2 3.83Å; L176-L178 HydrophobicContact CD2-CG 3.98Å; L178-G180 PolarHBondContact O-N 2.99Å; L178-L189 CarbonylContact O-C 3.59Å; L178-L189 WeakPolarHBondContact O-CA 3.31Å; L178-V190 PolarHBondContact N-O 3.27Å; L178-V190 PolarHBondContact O-N 2.93Å; L178-L303 HydrophobicContact CD2-CD1 3.93Å; L178-L303 HydrophobicContact CD2-CD2 3.62Å; L178-L303 HydrophobicContact CD2-CG 4.25Å
179V93.1Very high88.5Confident24 Ų2443 Ų4315%0.14522%0.224CC..EExtended strand (participates in β ladder)trans-76.2120.7170.3178.20000107.6K187 L189 W214 V267 V268V179-K187 HydrophobicContact CG1-CD 4.5Å; V179-L189 HydrophobicContact CG2-CD2 3.77Å; V179-W214 HydrophobicContact CG1-CH2 4.45Å; V179-W214 HydrophobicContact CG1-CZ3 3.93Å; V179-W214 HydrophobicContact CG2-CZ3 4.12Å; V179-V267 HydrophobicContact CG2-CG1 4.16Å; V179-V267 WeakPolarHBondContact CG2-O 3.41Å; V179-V268 PolarHBondContact N-O 3.35Å
180G90.4Very high88.7Confident18 Ų1844 Ų4419%0.18623%0.23CC..EExtended strand (participates in β ladder)trans-107.7153.6169.600000110.4L178 K187 F188L178-G180 PolarHBondContact O-N 2.99Å; G180-K187 CarbonylContact O-C 3.55Å; G180-K187 WeakPolarHBondContact O-CA 3.32Å; G180-F188 PolarHBondContact N-O 3.35Å; G180-F188 PolarHBondContact O-N 2.96Å
181E91.1Very high88.4Confident62 Ų6240.1 Ų40.129%0.2921%0.207SC..EExtended strand (participates in β ladder)trans-135.1132.8175.1-172.7165.4-165.300108.5R90 P91 N185 R186R90-E181 WeakPolarHBondContact CA-O 3.27Å; P91-E181 WeakPolarHBondContact CD-O 3.49Å; P91-E181 HydrophobicContact CG-CB 4.2Å; P91-E181 HydrophobicContact CG-CG 3.99Å; E181-N185 WeakPolarHBondContact OE1-CA 3.34Å; E181-N185 VanDerWaalsContact OE1-CB 3.3Å; E181-N185 WeakPolarHBondContact OE1-CB 3.15Å; E181-R186 WeakPolarHBondContact CA-O 3.23Å
182D88.2Confident87.4Confident2 Ų243.6 Ų43.61%0.01122%0.22CC..  trans-86.9172.6178.467.714.9000111.3S184 N185 R186 F188D182-S184 PolarHBondContact O-N 3.45Å; D182-S184 VanDerWaalsContact OD1-C 3.3Å; D182-S184 VanDerWaalsContact OD1-CA 3.31Å; D182-S184 WeakPolarHBondContact OD1-CA 3.29Å; D182-S184 WeakPolarHBondContact OD1-CB 3.37Å; D182-S184 PolarHBondContact OD1-N 3.2Å; D182-N185 PolarHBondContact O-N 3.1Å; D182-N185 PolarHBondContact OD1-N 3.48Å; D182-R186 PolarHBondContact N-O 3.5Å; D182-R186 VanDerWaalsContact N-O 3.14Å; D182-R186 WeakPolarHBondContact OD1-CB 3.33Å; D182-R186 PolarHBondContact OD1-N 3.2Å; D182-R186 IonicContact OD1-NE 3.22Å; D182-R186 IonicContact OD2-CZ 3.87Å; D182-R186 VanDerWaalsContact OD2-CZ 3.27Å; D182-R186 IonicContact OD2-NE 3.85Å; D182-R186 PolarHBondContact OD2-NE 3.03Å; D182-R186 IonicContact OD2-NH2 3.05Å; D182-R186 PolarHBondContact OD2-NH2 3.43Å; D182-F188 HydrophobicContact CB-CE1 4.07Å
183S85.3Confident86.4Confident71 Ų7140.3 Ų40.350%0.49720%0.202SC..THydrogen-bonded Turntrans-58.9-15.6176.255.70000114.3D89D89-S183 VanDerWaalsContact OD1-CB 3.24Å; D89-S183 WeakPolarHBondContact OD1-CB 3.46Å; D89-S183 PolarHBondContact OD1-N 3.28Å; D89-S183 PolarHBondContact OD1-OG 2.84Å
184S86.9Confident85Confident79 Ų7939.5 Ų39.555%0.55220%0.201SC*.THydrogen-bonded Turntrans-94.110.9175.9-580000113.3D182 R186D182-S184 PolarHBondContact O-N 3.45Å; D182-S184 VanDerWaalsContact OD1-C 3.3Å; D182-S184 VanDerWaalsContact OD1-CA 3.31Å; D182-S184 WeakPolarHBondContact OD1-CA 3.29Å; D182-S184 WeakPolarHBondContact OD1-CB 3.37Å; D182-S184 PolarHBondContact OD1-N 3.2Å; S184-R186 PolarHBondContact O-N 3.02Å
185N86.1Confident83.5Confident107 Ų10741.8 Ų41.857%0.57221%0.213SC*.  trans59.826.2-176.1-54.2-54.2000114.1E181 D182E181-N185 WeakPolarHBondContact OE1-CA 3.34Å; E181-N185 VanDerWaalsContact OE1-CB 3.3Å; E181-N185 WeakPolarHBondContact OE1-CB 3.15Å; D182-N185 PolarHBondContact O-N 3.1Å; D182-N185 PolarHBondContact OD1-N 3.48Å
186R88.3Confident81.9Confident160 Ų16041.8 Ų41.860%0.60421%0.213SC*.  trans-90.1123.7173.8-57.5-176.9-59.1179.90.7108.9E181 D182 S184 F188E181-R186 WeakPolarHBondContact CA-O 3.23Å; D182-R186 PolarHBondContact N-O 3.5Å; D182-R186 VanDerWaalsContact N-O 3.14Å; D182-R186 WeakPolarHBondContact OD1-CB 3.33Å; D182-R186 PolarHBondContact OD1-N 3.2Å; D182-R186 IonicContact OD1-NE 3.22Å; D182-R186 IonicContact OD2-CZ 3.87Å; D182-R186 VanDerWaalsContact OD2-CZ 3.27Å; D182-R186 IonicContact OD2-NE 3.85Å; D182-R186 PolarHBondContact OD2-NE 3.03Å; D182-R186 IonicContact OD2-NH2 3.05Å; D182-R186 PolarHBondContact OD2-NH2 3.43Å; S184-R186 PolarHBondContact O-N 3.02Å; R186-F188 WeakPolarHBondContact O-CD1 3.42Å
187K91.8Very high80.1Confident96 Ų9644.7 Ų44.742%0.41724%0.238SC..EExtended strand (participates in β ladder)trans-80146.4176.6-61.6-173.7179.2-173.70111V179 G180 W214V179-K187 HydrophobicContact CG1-CD 4.5Å; G180-K187 CarbonylContact O-C 3.55Å; G180-K187 WeakPolarHBondContact O-CA 3.32Å; K187-W214 HydrophobicContact CB-CD2 3.8Å; K187-W214 HydrophobicContact CB-CE3 3.52Å; K187-W214 HydrophobicContact CB-CG 4.31Å; K187-W214 HydrophobicContact CB-CZ3 3.91Å; K187-W214 HydrophobicContact CD-CH2 4.06Å; K187-W214 HydrophobicContact CD-CZ2 4.18Å; K187-W214 HydrophobicContact CD-CZ3 4.23Å; K187-W214 WeakPolarHBondContact O-CB 3.45Å
188F92.1Very high78Confident23 Ų2352.3 Ų52.310%0.10127%0.273CS..EExtended strand (participates in β ladder)trans-151166.2173.354.6-86.4000108.8G180 D182 R186 V190 R211G180-F188 PolarHBondContact N-O 3.35Å; G180-F188 PolarHBondContact O-N 2.96Å; D182-F188 HydrophobicContact CB-CE1 4.07Å; R186-F188 WeakPolarHBondContact O-CD1 3.42Å; F188-V190 HydrophobicContact CD2-CG2 3.44Å; F188-V190 VanDerWaalsContact CD2-CG2 3.44Å; F188-V190 HydrophobicContact CE2-CG2 3.3Å; F188-R211 HydrophobicContact CD2-CG 4.09Å; F188-R211 VanDerWaalsContact CD2-CZ 3.41Å; F188-R211 VanDerWaalsContact CE1-NH2 3.34Å; F188-R211 VanDerWaalsContact CG-NH2 3.28Å
189L90.6Very high76Confident0 Ų055.4 Ų55.40%031%0.306CS..EExtended strand (participates in β ladder)trans-108137.3175.7-65.9169.5000109.1F177 L178 V179 R211 L212 W214 V219 A223 V270F177-L189 HydrophobicContact CB-CB 4.33Å; F177-L189 HydrophobicContact CB-CD2 4.37Å; L178-L189 CarbonylContact O-C 3.59Å; L178-L189 WeakPolarHBondContact O-CA 3.31Å; V179-L189 HydrophobicContact CG2-CD2 3.77Å; L189-R211 CarbonylContact O-C 3.54Å; L189-R211 WeakPolarHBondContact O-CA 3.06Å; L189-L212 HydrophobicContact CB-CB 4.17Å; L189-L212 PolarHBondContact N-O 3.02Å; L189-L212 PolarHBondContact O-N 3.15Å; L189-W214 HydrophobicContact CD2-CZ3 4.43Å; L189-V219 HydrophobicContact CD1-CB 4.39Å; L189-V219 HydrophobicContact CD1-CG1 3.72Å; L189-A223 HydrophobicContact CD1-CB 3.92Å; L189-A223 HydrophobicContact CD2-CB 3.93Å; L189-A223 HydrophobicContact CG-CB 4.31Å; L189-V270 HydrophobicContact CD2-CG2 4.42Å
190V88.4Confident74.1Confident22 Ų2255.6 Ų55.613%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-124.7121.8174.7-177.50000108.2F177 L178 F188 R192 C209 I210F177-V190 CarbonylContact C-O 3.57Å; L178-V190 PolarHBondContact N-O 3.27Å; L178-V190 PolarHBondContact O-N 2.93Å; F188-V190 HydrophobicContact CD2-CG2 3.44Å; F188-V190 VanDerWaalsContact CD2-CG2 3.44Å; F188-V190 HydrophobicContact CE2-CG2 3.3Å; V190-R192 HydrophobicContact CG1-CG 4.31Å; V190-C209 WeakPolarHBondContact CG1-SG 3.45Å; V190-I210 WeakPolarHBondContact CA-O 3.31Å
191S81.6Confident72.4Confident0 Ų058.2 Ų58.20%032%0.321CS..EExtended strand (participates in β ladder)trans-96.1122.8164.6160.90000109.7L176 F177 L193 F194 I210L176-S191 WeakPolarHBondContact O-CA 3.09Å; L176-S191 VanDerWaalsContact O-CB 3.26Å; L176-S191 WeakPolarHBondContact O-CB 3.31Å; L176-S191 PolarHBondContact O-OG 3.25Å; F177-S191 VanDerWaalsContact CE1-CB 3.47Å; S191-L193 PolarHBondContact OG-N 3.46Å; S191-L193 PolarHBondContact OG-O 3.22Å; S191-F194 WeakPolarHBondContact OG-CD2 3.45Å; S191-F194 WeakPolarHBondContact OG-CE2 3.44Å; S191-I210 PolarHBondContact N-O 3.27Å; S191-I210 PolarHBondContact O-N 3.07Å
192R67.3Low70.7Confident73 Ų7358.6 Ų58.628%0.27533%0.325SS..EExtended strand (participates in β ladder)trans-94.3-7.3171-59.8-170.7-164.2176.54.7111.8T155 V190 S205T155-R192 PolarHBondContact OG1-NH1 3.02Å; V190-R192 HydrophobicContact CG1-CG 4.31Å; R192-S205 VanDerWaalsContact O-O 3.14Å
193L64.2Low69Low3 Ų366.5 Ų66.52%0.01636%0.362CS..EExtended strand (participates in β ladder)trans-137.6105-175.6-63.5173.5000108.9C158 H159 F162 S191 V196C158-L193 VanDerWaalsContact C-CD1 3.46Å; C158-L193 HydrophobicContact CB-CD1 3.77Å; H159-L193 HydrophobicContact CB-CD1 4.14Å; F162-L193 HydrophobicContact CB-CD1 4.35Å; S191-L193 PolarHBondContact OG-N 3.46Å; S191-L193 PolarHBondContact OG-O 3.22Å; L193-V196 HydrophobicContact CB-CG2 4.36Å; L193-V196 HydrophobicContact CD2-CG2 4.37Å
194F55.9Low67.3Low62 Ų6269.5 Ų69.527%0.27237%0.368SS..EExtended strand (participates in β ladder)trans-110.5135169.2-87.6-85.9000110.5F177 S191 V196 I210F177-F194 HydrophobicContact CE1-CE1 4.41Å; F177-F194 HydrophobicContact CE1-CE2 4.39Å; F177-F194 AromaticContact CE1-CZ 3.64Å; F177-F194 HydrophobicContact CE1-CZ 3.64Å; F177-F194 HydrophobicContact CZ-CE1 4.06Å; F177-F194 AromaticContact CZ-CZ 3.74Å; F177-F194 HydrophobicContact CZ-CZ 3.74Å; S191-F194 WeakPolarHBondContact OG-CD2 3.45Å; S191-F194 WeakPolarHBondContact OG-CE2 3.44Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 PolarHBondContact O-N 3.4Å; F194-I210 HydrophobicContact CD1-CD1 4.09Å; F194-I210 HydrophobicContact CD2-CB 4.33Å; F194-I210 HydrophobicContact CD2-CD1 3.68Å; F194-I210 HydrophobicContact CD2-CG1 3.74Å; F194-I210 HydrophobicContact CE1-CD1 3.7Å; F194-I210 HydrophobicContact CE2-CB 3.34Å; F194-I210 HydrophobicContact CE2-CD1 3.23Å; F194-I210 HydrophobicContact CE2-CG1 3.18Å; F194-I210 HydrophobicContact CE2-CG2 4.41Å; F194-I210 HydrophobicContact CG-CD1 4.09Å; F194-I210 HydrophobicContact CZ-CB 3.67Å; F194-I210 HydrophobicContact CZ-CD1 3.26Å; F194-I210 HydrophobicContact CZ-CG1 3.68Å; F194-I210 HydrophobicContact CZ-CG2 4.29Å
195D52.9Low65.6Low54 Ų5466.1 Ų66.129%0.28935%0.345SS..  trans58.242.2162.1-147.929.9000114.1R29 R173 A197R29-D195 IonicContact NH1-OD2 2.82Å; R173-D195 VanDerWaalsContact CD-OD1 3.23Å; R173-D195 WeakPolarHBondContact CD-OD1 3.3Å; R173-D195 WeakPolarHBondContact CG-OD1 3.4Å; R173-D195 IonicContact CZ-OD1 2.78Å; R173-D195 IonicContact CZ-OD2 3.21Å; R173-D195 IonicContact NE-OD1 3.27Å; R173-D195 IonicContact NH1-OD1 2.95Å; R173-D195 PolarHBondContact NH1-OD1 3.46Å; R173-D195 IonicContact NH1-OD2 3.7Å; R173-D195 PolarHBondContact NH1-OD2 3.26Å; D195-A197 PolarHBondContact O-N 3.24Å
196V53.8Low63.8Low6 Ų664.7 Ų64.74%0.03634%0.343CS..  trans-73.593.5174171.10000106.9F162 L193 F194 S200 S205F162-V196 HydrophobicContact CD1-CB 3.79Å; F162-V196 HydrophobicContact CD1-CG1 3.53Å; F162-V196 HydrophobicContact CE1-CB 3.33Å; F162-V196 HydrophobicContact CE1-CG1 3.4Å; F162-V196 VanDerWaalsContact CE1-CG1 3.4Å; F162-V196 HydrophobicContact CE1-CG2 4.42Å; F162-V196 WeakPolarHBondContact CE1-O 3.26Å; F162-V196 HydrophobicContact CE2-CB 4.08Å; F162-V196 HydrophobicContact CG-CB 4.42Å; F162-V196 HydrophobicContact CG-CG1 4.4Å; F162-V196 HydrophobicContact CZ-CB 3.47Å; F162-V196 VanDerWaalsContact CZ-CB 3.47Å; F162-V196 HydrophobicContact CZ-CG1 4.11Å; F162-V196 HydrophobicContact CZ-CG2 4.38Å; F162-V196 VanDerWaalsContact CZ-O 3.31Å; F162-V196 WeakPolarHBondContact CZ-O 3.3Å; L193-V196 HydrophobicContact CB-CG2 4.36Å; L193-V196 HydrophobicContact CD2-CG2 4.37Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 PolarHBondContact O-N 3.4Å; V196-S200 WeakPolarHBondContact CA-OG 3.37Å; V196-S200 WeakPolarHBondContact CG1-OG 3.37Å; V196-S205 WeakPolarHBondContact CG2-OG 3.48Å
197A49.8Very low61.7Low64 Ų6462.5 Ų62.553%0.52935%0.348SS..  trans-70161.2171.700000110.4D195 G199 S200D195-A197 PolarHBondContact O-N 3.24Å; A197-G199 PolarHBondContact O-N 2.99Å; A197-S200 PolarHBondContact O-N 3.46Å; A197-S200 VanDerWaalsContact O-N 3.12Å; A197-S200 PolarHBondContact O-OG 3.34Å
198E47.9Very low59.8Low166 Ų16659.4 Ų59.478%0.77634%0.338SS*.THydrogen-bonded Turntrans-54110.9177.3-167.1177.4176.900110.6
199G50.1Low58.5Low71 Ų7162.4 Ų62.473%0.73236%0.361SS*.THydrogen-bonded Turntrans104.72.8179.400000117.1A197A197-G199 PolarHBondContact O-N 2.99Å
200S53.8Low57.8Low28 Ų2864.4 Ų64.420%0.19637%0.371CS..  trans-71.7148.6178.557.30000113.5V196 A197V196-S200 WeakPolarHBondContact CA-OG 3.37Å; V196-S200 WeakPolarHBondContact CG1-OG 3.37Å; A197-S200 PolarHBondContact O-N 3.46Å; A197-S200 VanDerWaalsContact O-N 3.12Å; A197-S200 PolarHBondContact O-OG 3.34Å
201T54.6Low57.5Low73 Ų7369.7 Ų69.745%0.44839%0.388SS..  trans-92.8156.5-179.861.20000112.5E203 E204 S205T201-E203 PolarHBondContact O-N 3.05Å; T201-E204 PolarHBondContact N-OE2 2.95Å; T201-E204 PolarHBondContact O-N 3.14Å; T201-E204 VanDerWaalsContact OG1-CD 3.32Å; T201-E204 WeakPolarHBondContact OG1-CG 3.39Å; T201-E204 PolarHBondContact OG1-OE2 2.97Å; T201-S205 PolarHBondContact O-OG 2.91Å
202L54.2Low57.7Low70 Ų7072 Ų7237%0.36640%0.401SS..THydrogen-bonded Turntrans-59-32.2-180-169.971.6000112.4H159 S206H159-L202 HydrophobicContact CB-CD1 3.6Å; L202-S206 PolarHBondContact O-OG 2.91Å
203E53.2Low58.7Low169 Ų16972.8 Ų72.879%0.7941%0.407SS*.THydrogen-bonded Turntrans-71.9-34.9-178-63-154.8155.400113T201 S205T201-E203 PolarHBondContact O-N 3.05Å; E203-S205 VanDerWaalsContact C-N 3.28Å; E203-S205 PolarHBondContact O-N 3.09Å
204E49.7Very low59.9Low133 Ų13376.4 Ų76.462%0.62142%0.421SS*.THydrogen-bonded Turntrans-71.9-23.2179.9-69.8166.415200112.7T201T201-E204 PolarHBondContact N-OE2 2.95Å; T201-E204 PolarHBondContact O-N 3.14Å; T201-E204 VanDerWaalsContact OG1-CD 3.32Å; T201-E204 WeakPolarHBondContact OG1-CG 3.39Å; T201-E204 PolarHBondContact OG1-OE2 2.97Å
205S50.4Low61.5Low9 Ų977.9 Ų77.96%0.06343%0.432CS..THydrogen-bonded Turntrans-88.1-11.8-175.2-52.50000113.9R192 V196 T201 E203R192-S205 VanDerWaalsContact O-O 3.14Å; V196-S205 WeakPolarHBondContact CG2-OG 3.48Å; T201-S205 PolarHBondContact O-OG 2.91Å; E203-S205 VanDerWaalsContact C-N 3.28Å; E203-S205 PolarHBondContact O-N 3.09Å
206S48.8Very low63.1Low77 Ų7779.8 Ų79.854%0.53844%0.437SS..SBendtrans-90.4-4.9-165.2-60.80000115.2L202L202-S206 PolarHBondContact O-OG 2.91Å
207T43.8Very low64.8Low114 Ų11481.3 Ų81.370%0.69945%0.454SS*.SBendtrans-94.7-14.2-166.6550000114.9
208S52.8Low66.8Low31 Ų3178.7 Ų78.722%0.21743%0.431CS..  trans-127.2106.1179.559.40000112
209C64.1Low68.9Low85 Ų8571.3 Ų71.357%0.57440%0.397SS*.  trans-94.6116.8174.7-179.70000108.9V190V190-C209 WeakPolarHBondContact CG1-SG 3.45Å
210I75.8Confident71Confident42 Ų4267.9 Ų67.922%0.21536%0.362CS..EExtended strand (participates in β ladder)trans-100.8127173.5-49.5-173.1000108.6V190 S191 F194 L212V190-I210 WeakPolarHBondContact CA-O 3.31Å; S191-I210 PolarHBondContact N-O 3.27Å; S191-I210 PolarHBondContact O-N 3.07Å; F194-I210 HydrophobicContact CD1-CD1 4.09Å; F194-I210 HydrophobicContact CD2-CB 4.33Å; F194-I210 HydrophobicContact CD2-CD1 3.68Å; F194-I210 HydrophobicContact CD2-CG1 3.74Å; F194-I210 HydrophobicContact CE1-CD1 3.7Å; F194-I210 HydrophobicContact CE2-CB 3.34Å; F194-I210 HydrophobicContact CE2-CD1 3.23Å; F194-I210 HydrophobicContact CE2-CG1 3.18Å; F194-I210 HydrophobicContact CE2-CG2 4.41Å; F194-I210 HydrophobicContact CG-CD1 4.09Å; F194-I210 HydrophobicContact CZ-CB 3.67Å; F194-I210 HydrophobicContact CZ-CD1 3.26Å; F194-I210 HydrophobicContact CZ-CG1 3.68Å; F194-I210 HydrophobicContact CZ-CG2 4.29Å; I210-L212 HydrophobicContact CG2-CD2 4.1Å
211R82.9Confident72.9Confident133 Ų13368.1 Ų68.150%0.50236%0.36SS..EExtended strand (participates in β ladder)trans-104.1125175-175.6178.6175.3117.8-2109.3F188 L189F188-R211 HydrophobicContact CD2-CG 4.09Å; F188-R211 VanDerWaalsContact CD2-CZ 3.41Å; F188-R211 VanDerWaalsContact CE1-NH2 3.34Å; F188-R211 VanDerWaalsContact CG-NH2 3.28Å; L189-R211 CarbonylContact O-C 3.54Å; L189-R211 WeakPolarHBondContact O-CA 3.06Å
212L85.8Confident74.9Confident50 Ų5064.6 Ų64.626%0.26234%0.339SS..EExtended strand (participates in β ladder)trans-113144.5173.7-54.1173.6000109.6F177 L189 I210F177-L212 HydrophobicContact CD1-CD1 3.85Å; F177-L212 HydrophobicContact CE1-CD1 3.41Å; F177-L212 VanDerWaalsContact CE1-CD1 3.41Å; F177-L212 HydrophobicContact CE1-CG 4.23Å; F177-L212 HydrophobicContact CZ-CD1 4.06Å; L189-L212 HydrophobicContact CB-CB 4.17Å; L189-L212 PolarHBondContact N-O 3.02Å; L189-L212 PolarHBondContact O-N 3.15Å; I210-L212 HydrophobicContact CG2-CD2 4.1Å
213E87.4Confident76.8Confident88 Ų8861.4 Ų61.441%0.41132%0.323SS..EExtended strand (participates in β ladder)trans-71.7154.6173.4-65.3-178.7-16400111.8H41 K216H41-E213 IonicContact CD2-OE1 3.54Å; H41-E213 PolarHBondContact CD2-OE1 3.25Å; H41-E213 IonicContact CG-OE1 3.58Å; H41-E213 IonicContact NE2-OE1 3.24Å; E213-K216 HydrophobicContact CB-CB 4.43Å; E213-K216 HydrophobicContact CB-CD 4Å; E213-K216 HydrophobicContact CB-CG 4.21Å; E213-K216 HydrophobicContact CG-CD 4.47Å; E213-K216 IonicContact OE1-NZ 2.66Å; E213-K216 PolarHBondContact OE1-NZ 3.32Å; E213-K216 WeakPolarHBondContact OE2-CD 3.38Å; E213-K216 WeakPolarHBondContact OE2-CE 3.12Å; E213-K216 IonicContact OE2-NZ 2.83Å; E213-K216 PolarHBondContact OE2-NZ 3.38Å
214W90Very high78.8Confident80 Ų8055.4 Ų55.430%0.30330%0.299SS..THydrogen-bonded Turntrans-61.1140.3174.1-164.9-106.1000111.6V179 K187 L189 K216 A223V179-W214 HydrophobicContact CG1-CH2 4.45Å; V179-W214 HydrophobicContact CG1-CZ3 3.93Å; V179-W214 HydrophobicContact CG2-CZ3 4.12Å; K187-W214 HydrophobicContact CB-CD2 3.8Å; K187-W214 HydrophobicContact CB-CE3 3.52Å; K187-W214 HydrophobicContact CB-CG 4.31Å; K187-W214 HydrophobicContact CB-CZ3 3.91Å; K187-W214 HydrophobicContact CD-CH2 4.06Å; K187-W214 HydrophobicContact CD-CZ2 4.18Å; K187-W214 HydrophobicContact CD-CZ3 4.23Å; K187-W214 WeakPolarHBondContact O-CB 3.45Å; L189-W214 HydrophobicContact CD2-CZ3 4.43Å; W214-K216 PolarHBondContact O-N 3.09Å; W214-K216 VanDerWaalsContact O-N 3.15Å; W214-A223 HydrophobicContact CE3-CB 4.32Å; W214-A223 HydrophobicContact CH2-CB 3.84Å; W214-A223 VanDerWaalsContact CH2-O 3.3Å; W214-A223 WeakPolarHBondContact CH2-O 3.44Å; W214-A223 HydrophobicContact CZ2-CB 4.45Å; W214-A223 WeakPolarHBondContact CZ2-O 3.03Å; W214-A223 HydrophobicContact CZ3-CB 3.77Å
215N89.5Confident81Confident93 Ų9351.8 Ų51.850%0.49729%0.286SS..THydrogen-bonded Turntrans58.322.1177.1-160.520.8000115.4G220 S224N215-G220 WeakPolarHBondContact CA-O 3.37Å; N215-G220 PolarHBondContact N-O 3.05Å; N215-S224 PolarHBondContact OD1-OG 2.94Å; N215-S224 VanDerWaalsContact OD1-OG 3.06Å
216K87.1Confident83.1Confident94 Ų9451.9 Ų51.941%0.40929%0.289SS..  trans-107.6135.8170.7-75.5-164.4177164.10111.9H41 E213 W214 G220H41-K216 PolarHBondContact NE2-NZ 3.18Å; E213-K216 HydrophobicContact CB-CB 4.43Å; E213-K216 HydrophobicContact CB-CD 4Å; E213-K216 HydrophobicContact CB-CG 4.21Å; E213-K216 HydrophobicContact CG-CD 4.47Å; E213-K216 IonicContact OE1-NZ 2.66Å; E213-K216 PolarHBondContact OE1-NZ 3.32Å; E213-K216 WeakPolarHBondContact OE2-CD 3.38Å; E213-K216 WeakPolarHBondContact OE2-CE 3.12Å; E213-K216 IonicContact OE2-NZ 2.83Å; E213-K216 PolarHBondContact OE2-NZ 3.38Å; W214-K216 PolarHBondContact O-N 3.09Å; W214-K216 VanDerWaalsContact O-N 3.15Å; K216-G220 VanDerWaalsContact O-CA 3.24Å; K216-G220 WeakPolarHBondContact O-CA 3.03Å; K216-G220 PolarHBondContact O-N 2.81Å; K216-G220 VanDerWaalsContact O-N 3.16Å
217G89.3Confident85.3Confident38 Ų3854.4 Ų54.439%0.39229%0.292SS..Hα-helixtrans68.2-174.2-178.600000113.9H221 R239G217-H221 WeakPolarHBondContact O-CB 3.31Å; G217-H221 PolarHBondContact O-N 2.94Å; G217-R239 WeakPolarHBondContact CA-O 3.1Å
218I92.3Very high87.7Confident9 Ų952.2 Ų52.25%0.04628%0.276CS..Hα-helixtrans-60.6-51-179.8-62.3167.6000110.8G220 H221 V222 L229 I231 R239 F240 I255 C257I218-G220 PolarHBondContact O-N 3.18Å; I218-H221 WeakPolarHBondContact O-CB 3.3Å; I218-H221 PolarHBondContact O-N 3.42Å; I218-V222 WeakPolarHBondContact O-CG2 3.28Å; I218-V222 PolarHBondContact O-N 2.95Å; I218-L229 HydrophobicContact CG2-CD1 4.17Å; I218-I231 HydrophobicContact CD1-CD1 3.73Å; I218-I231 HydrophobicContact CG1-CD1 4.05Å; I218-I231 HydrophobicContact CG2-CD1 3.93Å; I218-R239 HydrophobicContact CG1-CB 4.13Å; I218-F240 HydrophobicContact CD1-CB 4.06Å; I218-F240 HydrophobicContact CD1-CD2 3.91Å; I218-F240 HydrophobicContact CD1-CG 4.45Å; I218-I255 HydrophobicContact CD1-CD1 3.45Å; I218-I255 VanDerWaalsContact CD1-CD1 3.45Å; I218-I255 HydrophobicContact CG2-CG2 4.47Å; I218-C257 HydrophobicContact CG2-CB 4.1Å
219V92.4Very high89.8Confident10 Ų1052.4 Ų52.46%0.06127%0.274CS..Hα-helixtrans-63.5-44.3-177.8-173.20000111.1F177 L189 H221 V222 A223 V270F177-V219 HydrophobicContact CB-CG1 4.08Å; F177-V219 HydrophobicContact CD1-CG1 4.33Å; F177-V219 HydrophobicContact CD2-CB 4.45Å; F177-V219 HydrophobicContact CD2-CG1 3.47Å; F177-V219 VanDerWaalsContact CD2-CG1 3.47Å; F177-V219 HydrophobicContact CD2-CG2 4.18Å; F177-V219 HydrophobicContact CE2-CB 4.45Å; F177-V219 HydrophobicContact CE2-CG1 3.93Å; F177-V219 HydrophobicContact CE2-CG2 3.79Å; F177-V219 HydrophobicContact CG-CG1 3.7Å; F177-V219 HydrophobicContact CZ-CG2 4.25Å; L189-V219 HydrophobicContact CD1-CB 4.39Å; L189-V219 HydrophobicContact CD1-CG1 3.72Å; V219-H221 VanDerWaalsContact C-N 3.33Å; V219-H221 PolarHBondContact O-N 3.43Å; V219-V222 PolarHBondContact O-N 3.29Å; V219-A223 WeakPolarHBondContact O-CB 3.18Å; V219-A223 PolarHBondContact O-N 3.06Å; V219-V270 HydrophobicContact CG1-CB 3.77Å; V219-V270 HydrophobicContact CG1-CG1 3.62Å; V219-V270 HydrophobicContact CG1-CG2 4.3Å
220G92.8Very high91.3Very high0 Ų050.3 Ų50.30%026%0.257CS..Hα-helixtrans-64.8-36.8177.200000112.6N215 K216 I218 A223 S224N215-G220 WeakPolarHBondContact CA-O 3.37Å; N215-G220 PolarHBondContact N-O 3.05Å; K216-G220 VanDerWaalsContact O-CA 3.24Å; K216-G220 WeakPolarHBondContact O-CA 3.03Å; K216-G220 PolarHBondContact O-N 2.81Å; K216-G220 VanDerWaalsContact O-N 3.16Å; I218-G220 PolarHBondContact O-N 3.18Å; G220-A223 PolarHBondContact O-N 2.77Å; G220-S224 WeakPolarHBondContact O-CB 3.35Å; G220-S224 PolarHBondContact O-N 2.87Å; G220-S224 PolarHBondContact O-OG 3.37Å
221H94.3Very high92.1Very high32 Ų3249.1 Ų49.115%0.14825%0.251CS..Hα-helixtrans-61.8-51.1174.3-177.778.5000111.2G217 I218 V219 A223 S224 T225 R239G217-H221 WeakPolarHBondContact O-CB 3.31Å; G217-H221 PolarHBondContact O-N 2.94Å; I218-H221 WeakPolarHBondContact O-CB 3.3Å; I218-H221 PolarHBondContact O-N 3.42Å; V219-H221 VanDerWaalsContact C-N 3.33Å; V219-H221 PolarHBondContact O-N 3.43Å; H221-A223 VanDerWaalsContact C-N 3.28Å; H221-A223 PolarHBondContact O-N 2.98Å; H221-S224 PolarHBondContact O-N 2.94Å; H221-S224 PolarHBondContact O-OG 3.35Å; H221-T225 WeakPolarHBondContact CE1-CG2 3.3Å; H221-T225 WeakPolarHBondContact NE2-CG2 3.39Å; H221-T225 PolarHBondContact O-N 3.42Å; H221-T225 PolarHBondContact O-OG1 3.32Å; H221-T225 VanDerWaalsContact O-OG1 3.04Å; H221-R239 PolarHBondContact CD2-NH1 3.01Å; H221-R239 PolarHBondContact CE1-NH1 3.31Å; H221-R239 PolarHBondContact CE1-NH2 3.11Å; H221-R239 PolarHBondContact NE2-NH1 2.75Å; H221-R239 PolarHBondContact NE2-NH2 2.88Å
222V95.9Very high92.6Very high0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-59-40.1177.4171.80000111.5I218 V219 S224 G226 Q227 L229 C257 P259 V270I218-V222 WeakPolarHBondContact O-CG2 3.28Å; I218-V222 PolarHBondContact O-N 2.95Å; V219-V222 PolarHBondContact O-N 3.29Å; V222-S224 VanDerWaalsContact C-N 3.31Å; V222-S224 PolarHBondContact O-N 3.34Å; V222-G226 WeakPolarHBondContact O-CA 3.46Å; V222-G226 PolarHBondContact O-N 3.44Å; V222-Q227 WeakPolarHBondContact CG1-O 3.45Å; V222-L229 HydrophobicContact CG2-CB 4.2Å; V222-L229 HydrophobicContact CG2-CD1 3.72Å; V222-L229 HydrophobicContact CG2-CG 3.79Å; V222-C257 HydrophobicContact CG2-CB 4.08Å; V222-P259 HydrophobicContact CG1-CB 3.98Å; V222-P259 HydrophobicContact CG1-CG 4.21Å; V222-V270 HydrophobicContact CB-CG1 4.25Å; V222-V270 HydrophobicContact CG1-CG1 3.89Å; V222-V270 HydrophobicContact CG1-CG2 4.41Å
223A95.1Very high92.8Very high3 Ų350 Ų503%0.02526%0.259CS..Hα-helixtrans-61.2-40.4175.300000112.5L189 W214 V219 G220 H221 V270L189-A223 HydrophobicContact CD1-CB 3.92Å; L189-A223 HydrophobicContact CD2-CB 3.93Å; L189-A223 HydrophobicContact CG-CB 4.31Å; W214-A223 HydrophobicContact CE3-CB 4.32Å; W214-A223 HydrophobicContact CH2-CB 3.84Å; W214-A223 VanDerWaalsContact CH2-O 3.3Å; W214-A223 WeakPolarHBondContact CH2-O 3.44Å; W214-A223 HydrophobicContact CZ2-CB 4.45Å; W214-A223 WeakPolarHBondContact CZ2-O 3.03Å; W214-A223 HydrophobicContact CZ3-CB 3.77Å; V219-A223 WeakPolarHBondContact O-CB 3.18Å; V219-A223 PolarHBondContact O-N 3.06Å; G220-A223 PolarHBondContact O-N 2.77Å; H221-A223 VanDerWaalsContact C-N 3.28Å; H221-A223 PolarHBondContact O-N 2.98Å; A223-V270 HydrophobicContact CB-CG2 3.73Å
224S94.5Very high93Very high43 Ų4345.8 Ų45.830%0.30124%0.239SC..Hα-helixtrans-77.9-36.7-177.3740000114N215 G220 H221 V222N215-S224 PolarHBondContact OD1-OG 2.94Å; N215-S224 VanDerWaalsContact OD1-OG 3.06Å; G220-S224 WeakPolarHBondContact O-CB 3.35Å; G220-S224 PolarHBondContact O-N 2.87Å; G220-S224 PolarHBondContact O-OG 3.37Å; H221-S224 PolarHBondContact O-N 2.94Å; H221-S224 PolarHBondContact O-OG 3.35Å; V222-S224 VanDerWaalsContact C-N 3.31Å; V222-S224 PolarHBondContact O-N 3.34Å
225T95.2Very high93.1Very high57 Ų5747.1 Ų47.135%0.3525%0.245SC..Hα-helixtrans-91.9-24-176.860.10000112.8H221 Q227H221-T225 WeakPolarHBondContact CE1-CG2 3.3Å; H221-T225 WeakPolarHBondContact NE2-CG2 3.39Å; H221-T225 PolarHBondContact O-N 3.42Å; H221-T225 PolarHBondContact O-OG1 3.32Å; H221-T225 VanDerWaalsContact O-OG1 3.04Å; T225-Q227 PolarHBondContact O-N 3.16Å; T225-Q227 PolarHBondContact OG1-N 3.02Å
226G95.1Very high93.2Very high11 Ų1150 Ų5011%0.11326%0.255CS..  trans65.220.4-172.800000113.2V222 P259 K261V222-G226 WeakPolarHBondContact O-CA 3.46Å; V222-G226 PolarHBondContact O-N 3.44Å; G226-P259 WeakPolarHBondContact O-CG 3.45Å; G226-K261 WeakPolarHBondContact O-CE 3.39Å; G226-K261 PolarHBondContact O-NZ 3.41Å; G226-K261 VanDerWaalsContact O-NZ 3.16Å
227Q95Very high93.4Very high130 Ų13046.9 Ų46.961%0.60724%0.243SC*.  trans-108.2137.1177.7-65.5-176.9-5.600110.3V222 T225V222-Q227 WeakPolarHBondContact CG1-O 3.45Å; T225-Q227 PolarHBondContact O-N 3.16Å; T225-Q227 PolarHBondContact OG1-N 3.02Å
228L95.4Very high93.5Very high68 Ų6851.1 Ų51.136%0.35626%0.264SS..  trans-68.1153173.966.686.7000111.5C257 L258L228-C257 CarbonylContact C-O 3.44Å; L228-C257 WeakPolarHBondContact CA-O 3.29Å; L228-L258 HydrophobicContact CB-CG 3.88Å
229L95.6Very high93.4Very high34 Ų3455.5 Ų55.518%0.17828%0.28CS..EExtended strand (participates in β ladder)trans-129.9123.8173.3-68.5-179.9000110I218 V222 I231 C257I218-L229 HydrophobicContact CG2-CD1 4.17Å; V222-L229 HydrophobicContact CG2-CB 4.2Å; V222-L229 HydrophobicContact CG2-CD1 3.72Å; V222-L229 HydrophobicContact CG2-CG 3.79Å; L229-I231 HydrophobicContact CB-CD1 4.46Å; L229-I231 HydrophobicContact CB-CG1 4.33Å; L229-C257 PolarHBondContact N-O 3.48Å; L229-C257 PolarHBondContact O-N 3.45Å
230N95.2Very high93.2Very high42 Ų4257 Ų5723%0.22529%0.285CS..EExtended strand (participates in β ladder)trans-110.998.2168.6-177.22.4000109.2L256 F284 E289N230-L256 HydrophobicContact CB-CD1 3.94Å; N230-F284 PolarHBondContact ND2-O 3.3Å; N230-E289 HydrophobicContact CB-CG 4.49Å; N230-E289 WeakPolarHBondContact CB-OE1 3.34Å; N230-E289 PolarHBondContact ND2-OE1 3.25Å
231I93.9Very high92.9Very high17 Ų1760.9 Ų60.99%0.08731%0.306CS..EExtended strand (participates in β ladder)trans-99120.1-176-56.9166.4000108.2I218 L229 N233 D237 S254 I255I218-I231 HydrophobicContact CD1-CD1 3.73Å; I218-I231 HydrophobicContact CG1-CD1 4.05Å; I218-I231 HydrophobicContact CG2-CD1 3.93Å; L229-I231 HydrophobicContact CB-CD1 4.46Å; L229-I231 HydrophobicContact CB-CG1 4.33Å; I231-N233 WeakPolarHBondContact CG2-O 3.23Å; I231-D237 HydrophobicContact CD1-CB 4.28Å; I231-D237 WeakPolarHBondContact CD1-OD2 3.05Å; I231-D237 HydrophobicContact CG2-CB 4.2Å; I231-S254 CarbonylContact O-C 3.36Å; I231-S254 WeakPolarHBondContact O-CA 3.4Å; I231-I255 HydrophobicContact CB-CB 4.25Å; I231-I255 HydrophobicContact CD1-CB 4.5Å; I231-I255 PolarHBondContact N-O 2.86Å; I231-I255 PolarHBondContact O-N 3.39Å
232K92.3Very high92.4Very high149 Ų14960.7 Ų60.765%0.64831%0.31SS*.SBendtrans-79.8-32.4-179.7-56.6-173.1179.6174.20112.8Q253 A283K232-Q253 CarbonylContact C-O 3.49Å; K232-A283 HydrophobicContact CB-CB 4.21Å; K232-A283 HydrophobicContact CD-CB 4.09Å; K232-A283 HydrophobicContact CG-CB 3.76Å
233N91.1Very high91.5Very high52 Ų5266.7 Ų66.728%0.27834%0.338SS..  trans-136.5107.8177.8-171.7-4.3000109.9I231 Y235 E236 Q253I231-N233 WeakPolarHBondContact CG2-O 3.23Å; N233-Y235 VanDerWaalsContact C-N 3.28Å; N233-Y235 PolarHBondContact O-N 2.96Å; N233-Y235 PolarHBondContact OD1-N 3.2Å; N233-E236 HydrophobicContact CB-CB 4.38Å; N233-E236 HydrophobicContact CB-CG 4.14Å; N233-E236 PolarHBondContact ND2-OE1 3.27Å; N233-E236 PolarHBondContact O-N 3.43Å; N233-Q253 CarbonylContact C-O 3.58Å; N233-Q253 WeakPolarHBondContact CA-O 3.44Å
234A91.6Very high90.4Very high0 Ų069.5 Ų69.50%036%0.355CS..G310 helixtrans-62.1-34.9-17700000112.8E236 D237 F240 T252 Q253 I255A234-E236 PolarHBondContact O-N 2.92Å; A234-D237 PolarHBondContact O-N 3.01Å; A234-F240 HydrophobicContact CB-CD1 3.91Å; A234-F240 HydrophobicContact CB-CD2 3.88Å; A234-F240 HydrophobicContact CB-CE1 4.01Å; A234-F240 HydrophobicContact CB-CE2 4Å; A234-F240 HydrophobicContact CB-CG 3.85Å; A234-F240 HydrophobicContact CB-CZ 4.08Å; A234-F240 WeakPolarHBondContact O-CB 3.22Å; A234-F240 WeakPolarHBondContact O-CD1 3.18Å; A234-F240 WeakPolarHBondContact O-CG 3.49Å; A234-T252 HydrophobicContact CB-CG2 3.83Å; A234-Q253 PolarHBondContact N-O 3.35Å; A234-I255 HydrophobicContact CB-CD1 3.58Å; A234-I255 HydrophobicContact CB-CG1 4.19Å
235Y91Very high89.6Confident108 Ų10868 Ų6842%0.42434%0.343SS..G310 helixtrans-69.8-14.8-179.1-70.6-95.5000113.7N233 F240 A242 D245 K251 T252N233-Y235 VanDerWaalsContact C-N 3.28Å; N233-Y235 PolarHBondContact O-N 2.96Å; N233-Y235 PolarHBondContact OD1-N 3.2Å; Y235-F240 HydrophobicContact CD1-CE1 4.42Å; Y235-F240 HydrophobicContact CD2-CE1 4.36Å; Y235-F240 HydrophobicContact CE1-CE1 4.3Å; Y235-F240 HydrophobicContact CE2-CE1 4.21Å; Y235-F240 HydrophobicContact CG-CE1 4.45Å; Y235-A242 HydrophobicContact CD1-CB 4.25Å; Y235-A242 HydrophobicContact CE1-CB 3.84Å; Y235-D245 WeakPolarHBondContact OH-CB 3.49Å; Y235-D245 PolarHBondContact OH-OD2 2.97Å; Y235-K251 HydrophobicContact CE2-CG 4.36Å; Y235-T252 WeakPolarHBondContact CD2-O 3.49Å; Y235-T252 WeakPolarHBondContact CE2-O 3.47Å
236E92.3Very high88.8Confident152 Ų15271.9 Ų71.971%0.7136%0.362SS*.G310 helixtrans-89.1-15.4174-69.6172.3-16100112.3N233 A234N233-E236 HydrophobicContact CB-CB 4.38Å; N233-E236 HydrophobicContact CB-CG 4.14Å; N233-E236 PolarHBondContact ND2-OE1 3.27Å; N233-E236 PolarHBondContact O-N 3.43Å; A234-E236 PolarHBondContact O-N 2.92Å
237D91.6Very high87.6Confident30 Ų3075.5 Ų75.516%0.1638%0.378CS..  trans-85.8121.6179.5-165.6-58.4000110.4I231 A234 R239 F240I231-D237 HydrophobicContact CD1-CB 4.28Å; I231-D237 WeakPolarHBondContact CD1-OD2 3.05Å; I231-D237 HydrophobicContact CG2-CB 4.2Å; A234-D237 PolarHBondContact O-N 3.01Å; D237-R239 PolarHBondContact O-N 2.64Å; D237-R239 VanDerWaalsContact O-N 3.07Å; D237-R239 WeakPolarHBondContact OD1-CA 3.43Å; D237-R239 WeakPolarHBondContact OD1-CB 2.9Å; D237-R239 WeakPolarHBondContact OD1-CG 3.24Å; D237-R239 PolarHBondContact OD1-N 3.01Å; D237-F240 HydrophobicContact CB-CB 4.43Å; D237-F240 WeakPolarHBondContact O-CB 3.21Å; D237-F240 PolarHBondContact O-N 3.3Å
238P90.5Very high86.5Confident127 Ų12773 Ų7383%0.82537%0.371SS*.THydrogen-bonded Turntrans-66.1-13-177.827.9-36000113.8
239R89.8Confident85.6Confident100 Ų10073.1 Ų73.138%0.37739%0.389SS..THydrogen-bonded Turntrans-91.2-7.7179-54.9158.3-176.7175.5-4.6111.8G217 I218 H221 D237G217-R239 WeakPolarHBondContact CA-O 3.1Å; I218-R239 HydrophobicContact CG1-CB 4.13Å; H221-R239 PolarHBondContact CD2-NH1 3.01Å; H221-R239 PolarHBondContact CE1-NH1 3.31Å; H221-R239 PolarHBondContact CE1-NH2 3.11Å; H221-R239 PolarHBondContact NE2-NH1 2.75Å; H221-R239 PolarHBondContact NE2-NH2 2.88Å; D237-R239 PolarHBondContact O-N 2.64Å; D237-R239 VanDerWaalsContact O-N 3.07Å; D237-R239 WeakPolarHBondContact OD1-CA 3.43Å; D237-R239 WeakPolarHBondContact OD1-CB 2.9Å; D237-R239 WeakPolarHBondContact OD1-CG 3.24Å; D237-R239 PolarHBondContact OD1-N 3.01Å
240F90.1Very high85Confident41 Ų4173.2 Ų73.218%0.1839%0.387CS..  trans-78133177.6-177.6-117.1000110.9I218 A234 Y235 D237 A242 T252 I255I218-F240 HydrophobicContact CD1-CB 4.06Å; I218-F240 HydrophobicContact CD1-CD2 3.91Å; I218-F240 HydrophobicContact CD1-CG 4.45Å; A234-F240 HydrophobicContact CB-CD1 3.91Å; A234-F240 HydrophobicContact CB-CD2 3.88Å; A234-F240 HydrophobicContact CB-CE1 4.01Å; A234-F240 HydrophobicContact CB-CE2 4Å; A234-F240 HydrophobicContact CB-CG 3.85Å; A234-F240 HydrophobicContact CB-CZ 4.08Å; A234-F240 WeakPolarHBondContact O-CB 3.22Å; A234-F240 WeakPolarHBondContact O-CD1 3.18Å; A234-F240 WeakPolarHBondContact O-CG 3.49Å; Y235-F240 HydrophobicContact CD1-CE1 4.42Å; Y235-F240 HydrophobicContact CD2-CE1 4.36Å; Y235-F240 HydrophobicContact CE1-CE1 4.3Å; Y235-F240 HydrophobicContact CE2-CE1 4.21Å; Y235-F240 HydrophobicContact CG-CE1 4.45Å; D237-F240 HydrophobicContact CB-CB 4.43Å; D237-F240 WeakPolarHBondContact O-CB 3.21Å; D237-F240 PolarHBondContact O-N 3.3Å; F240-A242 HydrophobicContact CD1-CB 4.29Å; F240-A242 HydrophobicContact CE1-CB 3.94Å; F240-T252 HydrophobicContact CE2-CG2 3.74Å; F240-T252 HydrophobicContact CZ-CG2 3.92Å; F240-I255 HydrophobicContact CD2-CD1 4.04Å; F240-I255 HydrophobicContact CE2-CD1 4.23Å
241N84.8Confident84.6Confident82 Ų8278.1 Ų78.144%0.43941%0.406SS..  trans-100.2105.2172.1-174.1-6000109.9E243N241-E243 VanDerWaalsContact C-N 3.29Å; N241-E243 PolarHBondContact ND2-OE2 3.35Å; N241-E243 PolarHBondContact O-N 2.79Å; N241-E243 WeakPolarHBondContact OD1-CB 3.27Å; N241-E243 WeakPolarHBondContact OD1-CG 3.45Å; N241-E243 PolarHBondContact OD1-N 3.05Å
242A84.4Confident84.4Confident28 Ų2877.7 Ų77.723%0.23141%0.405CS..THydrogen-bonded Turntrans-77-8.6179.200000114.4Y235 F240 V244 D245 L246Y235-A242 HydrophobicContact CD1-CB 4.25Å; Y235-A242 HydrophobicContact CE1-CB 3.84Å; F240-A242 HydrophobicContact CD1-CB 4.29Å; F240-A242 HydrophobicContact CE1-CB 3.94Å; A242-V244 PolarHBondContact O-N 3.34Å; A242-D245 PolarHBondContact O-N 3.35Å; A242-L246 WeakPolarHBondContact O-CG 3.38Å; A242-L246 PolarHBondContact O-N 3.17Å
243E77.5Confident84.3Confident126 Ų12673.1 Ų73.159%0.58939%0.385SS*.Hα-helixtrans-60.2-36.3179.4-65.8173166.300111.9N241 L246 I247N241-E243 VanDerWaalsContact C-N 3.29Å; N241-E243 PolarHBondContact ND2-OE2 3.35Å; N241-E243 PolarHBondContact O-N 2.79Å; N241-E243 WeakPolarHBondContact OD1-CB 3.27Å; N241-E243 WeakPolarHBondContact OD1-CG 3.45Å; N241-E243 PolarHBondContact OD1-N 3.05Å; E243-L246 PolarHBondContact O-N 3.47Å; E243-I247 WeakPolarHBondContact O-CD1 3.49Å; E243-I247 VanDerWaalsContact O-CG1 3.27Å; E243-I247 WeakPolarHBondContact O-CG1 3.41Å; E243-I247 PolarHBondContact O-N 2.85Å; E243-I247 VanDerWaalsContact O-N 3.13Å
244V71Confident84.4Confident63 Ų6370.7 Ų70.738%0.38237%0.373SS..Hα-helixtrans-66.1-43.4179.5-176.90000110.9F36 A242 I247 T248F36-V244 HydrophobicContact CE1-CG2 4.13Å; F36-V244 HydrophobicContact CZ-CG1 4.26Å; A242-V244 PolarHBondContact O-N 3.34Å; V244-I247 PolarHBondContact O-N 3.11Å; V244-T248 HydrophobicContact CG1-CG2 4.3Å; V244-T248 WeakPolarHBondContact O-CB 3.41Å; V244-T248 VanDerWaalsContact O-CG2 3.29Å; V244-T248 WeakPolarHBondContact O-CG2 3.31Å; V244-T248 PolarHBondContact O-N 3.24Å; V244-T248 PolarHBondContact O-OG1 3.04Å
245D78.4Confident84.5Confident10 Ų1070.7 Ų70.75%0.05337%0.373CS..Hα-helixtrans-62.2-43.8176.2-86.623000111.4Y235 A242 I247 T248 G249 Y250 T252Y235-D245 WeakPolarHBondContact OH-CB 3.49Å; Y235-D245 PolarHBondContact OH-OD2 2.97Å; A242-D245 PolarHBondContact O-N 3.35Å; D245-I247 VanDerWaalsContact C-N 3.34Å; D245-I247 PolarHBondContact O-N 3.1Å; D245-T248 PolarHBondContact O-N 2.91Å; D245-G249 WeakPolarHBondContact O-CA 3.13Å; D245-G249 PolarHBondContact O-N 3.3Å; D245-Y250 CarbonylContact C-O 3.57Å; D245-Y250 VanDerWaalsContact CA-O 3.24Å; D245-Y250 WeakPolarHBondContact CA-O 3.46Å; D245-Y250 WeakPolarHBondContact CB-O 3.31Å; D245-Y250 PolarHBondContact O-N 2.92Å; D245-T252 PolarHBondContact OD1-OG1 2.82Å; D245-T252 WeakPolarHBondContact OD2-CB 3.17Å; D245-T252 PolarHBondContact OD2-N 3.15Å; D245-T252 PolarHBondContact OD2-OG1 2.79Å
246L77.8Confident84.7Confident140 Ų14065.6 Ų65.673%0.73335%0.353SS*.Hα-helixtrans-61.2-40.5179.2-75.1163.1000112.7A242 E243A242-L246 WeakPolarHBondContact O-CG 3.38Å; A242-L246 PolarHBondContact O-N 3.17Å; E243-L246 PolarHBondContact O-N 3.47Å
247I71.1Confident84.8Confident87 Ų8758.3 Ų58.345%0.44632%0.319SS..Hα-helixtrans-77.1-41.9-178.7-64.9164.1000111.1W35 F36 E243 V244 D245 G249W35-I247 HydrophobicContact CH2-CD1 3.9Å; W35-I247 HydrophobicContact CZ3-CD1 3.77Å; F36-I247 HydrophobicContact CE1-CD1 4.02Å; F36-I247 HydrophobicContact CZ-CB 4.32Å; F36-I247 HydrophobicContact CZ-CD1 4.06Å; F36-I247 HydrophobicContact CZ-CG2 4.17Å; E243-I247 WeakPolarHBondContact O-CD1 3.49Å; E243-I247 VanDerWaalsContact O-CG1 3.27Å; E243-I247 WeakPolarHBondContact O-CG1 3.41Å; E243-I247 PolarHBondContact O-N 2.85Å; E243-I247 VanDerWaalsContact O-N 3.13Å; V244-I247 PolarHBondContact O-N 3.11Å; D245-I247 VanDerWaalsContact C-N 3.34Å; D245-I247 PolarHBondContact O-N 3.1Å; I247-G249 VanDerWaalsContact C-N 3.34Å
248T70.7Confident85.1Confident76 Ų7657 Ų5747%0.46631%0.312SS..Hα-helixtrans-82.4-15.2-176.159.50000113.1V244 D245 Y250V244-T248 HydrophobicContact CG1-CG2 4.3Å; V244-T248 WeakPolarHBondContact O-CB 3.41Å; V244-T248 VanDerWaalsContact O-CG2 3.29Å; V244-T248 WeakPolarHBondContact O-CG2 3.31Å; V244-T248 PolarHBondContact O-N 3.24Å; V244-T248 PolarHBondContact O-OG1 3.04Å; D245-T248 PolarHBondContact O-N 2.91Å; T248-Y250 PolarHBondContact O-N 3.35Å; T248-Y250 WeakPolarHBondContact OG1-CB 3.37Å; T248-Y250 PolarHBondContact OG1-N 3.41Å
249G77.1Confident85.4Confident71 Ų7151.9 Ų51.973%0.73228%0.278SS*.  trans68.57.9-17000000113.2D245 I247D245-G249 WeakPolarHBondContact O-CA 3.13Å; D245-G249 PolarHBondContact O-N 3.3Å; I247-G249 VanDerWaalsContact C-N 3.34Å
250Y82.6Confident85.6Confident37 Ų3747.1 Ų47.115%0.14526%0.26CS..  trans-81.2142.6176.1-170.6-106.4000109.9D172 R173 D245 T248 I274 N275D172-Y250 WeakPolarHBondContact OD2-CE2 3.5Å; D172-Y250 VanDerWaalsContact OD2-CZ 3.26Å; D172-Y250 PolarHBondContact OD2-OH 3.26Å; R173-Y250 VanDerWaalsContact NE-CZ 3.29Å; D245-Y250 CarbonylContact C-O 3.57Å; D245-Y250 VanDerWaalsContact CA-O 3.24Å; D245-Y250 WeakPolarHBondContact CA-O 3.46Å; D245-Y250 WeakPolarHBondContact CB-O 3.31Å; D245-Y250 PolarHBondContact O-N 2.92Å; T248-Y250 PolarHBondContact O-N 3.35Å; T248-Y250 WeakPolarHBondContact OG1-CB 3.37Å; T248-Y250 PolarHBondContact OG1-N 3.41Å; Y250-I274 HydrophobicContact CE1-CG2 4.03Å; Y250-N275 PolarHBondContact OH-ND2 3.49Å
251K87.3Confident85.9Confident145 Ų14547.9 Ų47.963%0.6326%0.263SS*.  trans-113.2106.3178.4-172.1178-178.9-177.80110.2Y235 N275Y235-K251 HydrophobicContact CE2-CG 4.36Å; K251-N275 PolarHBondContact O-ND2 2.87Å
252T89.5Confident86.3Confident8 Ų844.2 Ų44.25%0.04924%0.244CC..  trans-83.8114.3175.4-58.60000109.6A234 Y235 F240 D245 I255 I274A234-T252 HydrophobicContact CB-CG2 3.83Å; Y235-T252 WeakPolarHBondContact CD2-O 3.49Å; Y235-T252 WeakPolarHBondContact CE2-O 3.47Å; F240-T252 HydrophobicContact CE2-CG2 3.74Å; F240-T252 HydrophobicContact CZ-CG2 3.92Å; D245-T252 PolarHBondContact OD1-OG1 2.82Å; D245-T252 WeakPolarHBondContact OD2-CB 3.17Å; D245-T252 PolarHBondContact OD2-N 3.15Å; D245-T252 PolarHBondContact OD2-OG1 2.79Å; T252-I255 HydrophobicContact CG2-CD1 3.63Å; T252-I255 HydrophobicContact CG2-CG1 3.69Å; T252-I274 HydrophobicContact CG2-CG2 3.81Å
253Q90.5Very high86.6Confident52 Ų5247.1 Ų47.124%0.24325%0.253CS..  trans-108.8-68-178.4-179.6171.716.100111.7K232 N233 A234 N275 N281K232-Q253 CarbonylContact C-O 3.49Å; N233-Q253 CarbonylContact C-O 3.58Å; N233-Q253 WeakPolarHBondContact CA-O 3.44Å; A234-Q253 PolarHBondContact N-O 3.35Å; Q253-N275 WeakPolarHBondContact CA-OD1 3.31Å; Q253-N275 WeakPolarHBondContact CB-OD1 3.47Å; Q253-N275 PolarHBondContact N-OD1 3.32Å; Q253-N281 PolarHBondContact NE2-OD1 3.18Å; Q253-N281 PolarHBondContact OE1-OD1 2.78Å
254S92.4Very high87.3Confident2 Ų248.4 Ų48.41%0.01425%0.252CS..  trans-104.6138.1-179.852.90000110.7I231 I274 N275 K276 S282I231-S254 CarbonylContact O-C 3.36Å; I231-S254 WeakPolarHBondContact O-CA 3.4Å; S254-I274 WeakPolarHBondContact O-CA 3.37Å; S254-N275 PolarHBondContact N-OD1 2.95Å; S254-N275 PolarHBondContact O-N 2.91Å; S254-N275 WeakPolarHBondContact OG-CA 3.29Å; S254-K276 PolarHBondContact OG-N 3.4Å; S254-S282 PolarHBondContact OG-O 3.38Å; S254-S282 VanDerWaalsContact OG-O 3.08Å
255I93.8Very high88.3Confident0 Ų051.7 Ų51.70%026%0.263CS..EExtended strand (participates in β ladder)trans-132.1124.1-179.1-60.1171.7000108.6I218 I231 A234 F240 T252 C257 Q272 A273I218-I255 HydrophobicContact CD1-CD1 3.45Å; I218-I255 VanDerWaalsContact CD1-CD1 3.45Å; I218-I255 HydrophobicContact CG2-CG2 4.47Å; I231-I255 HydrophobicContact CB-CB 4.25Å; I231-I255 HydrophobicContact CD1-CB 4.5Å; I231-I255 PolarHBondContact N-O 2.86Å; I231-I255 PolarHBondContact O-N 3.39Å; A234-I255 HydrophobicContact CB-CD1 3.58Å; A234-I255 HydrophobicContact CB-CG1 4.19Å; F240-I255 HydrophobicContact CD2-CD1 4.04Å; F240-I255 HydrophobicContact CE2-CD1 4.23Å; T252-I255 HydrophobicContact CG2-CD1 3.63Å; T252-I255 HydrophobicContact CG2-CG1 3.69Å; I255-C257 HydrophobicContact CG2-CB 4.3Å; I255-Q272 HydrophobicContact CG2-CG 3.67Å; I255-A273 WeakPolarHBondContact CA-O 3.32Å
256L95.2Very high89Confident0 Ų054.9 Ų54.90%028%0.278CS..EExtended strand (participates in β ladder)trans-112113.4168176.860.7000108.8I169 N230 L258 Q272 A273 F284 D288 E289 F292I169-L256 HydrophobicContact CD1-CD2 4.32Å; N230-L256 HydrophobicContact CB-CD1 3.94Å; L256-L258 HydrophobicContact CD1-CD1 3.47Å; L256-L258 VanDerWaalsContact CD1-CD1 3.47Å; L256-L258 HydrophobicContact CD2-CD1 4.12Å; L256-L258 HydrophobicContact CG-CD1 3.44Å; L256-L258 VanDerWaalsContact CG-CD1 3.44Å; L256-Q272 CarbonylContact O-C 3.43Å; L256-Q272 WeakPolarHBondContact O-CA 3.39Å; L256-A273 HydrophobicContact CB-CB 4.43Å; L256-A273 PolarHBondContact N-O 2.91Å; L256-A273 PolarHBondContact O-N 2.95Å; L256-F284 HydrophobicContact CB-CB 4.16Å; L256-F284 HydrophobicContact CB-CD1 4.1Å; L256-F284 HydrophobicContact CB-CD2 3.39Å; L256-F284 HydrophobicContact CB-CE1 4.35Å; L256-F284 HydrophobicContact CB-CE2 3.67Å; L256-F284 HydrophobicContact CB-CG 3.61Å; L256-F284 HydrophobicContact CB-CZ 4.14Å; L256-F284 HydrophobicContact CD2-CB 3.92Å; L256-F284 HydrophobicContact CD2-CD1 3.85Å; L256-F284 HydrophobicContact CD2-CD2 4.49Å; L256-F284 HydrophobicContact CD2-CE1 4.49Å; L256-F284 HydrophobicContact CD2-CG 3.84Å; L256-F284 HydrophobicContact CG-CB 4.48Å; L256-F284 HydrophobicContact CG-CG 4.3Å; L256-D288 HydrophobicContact CD2-CB 4.34Å; L256-E289 HydrophobicContact CD1-CG 3.87Å; L256-F292 HydrophobicContact CD2-CD1 3.67Å; L256-F292 HydrophobicContact CD2-CE1 4.3Å; L256-F292 HydrophobicContact CG-CD1 4.06Å; L256-F292 HydrophobicContact CG-CE1 4.4Å
257C95.6Very high89.9Confident0 Ų049.3 Ų49.30%025%0.249CC..EExtended strand (participates in β ladder)trans-122.3121.5-175.6-167.70000110.5I218 V222 L228 L229 I255 V270 V271 Q272I218-C257 HydrophobicContact CG2-CB 4.1Å; V222-C257 HydrophobicContact CG2-CB 4.08Å; L228-C257 CarbonylContact C-O 3.44Å; L228-C257 WeakPolarHBondContact CA-O 3.29Å; L229-C257 PolarHBondContact N-O 3.48Å; L229-C257 PolarHBondContact O-N 3.45Å; I255-C257 HydrophobicContact CG2-CB 4.3Å; C257-V270 WeakPolarHBondContact SG-CG1 3.47Å; C257-V271 CarbonylContact C-O 3.58Å; C257-V271 WeakPolarHBondContact CA-O 3.37Å; C257-Q272 HydrophobicContact CB-CG 4.42Å
258L96.3Very high91Very high3 Ų345.5 Ų45.52%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-125.1141.7-177.6-75.179.8000111.1L228 L256 V270 V271 F292 L296L228-L258 HydrophobicContact CB-CG 3.88Å; L256-L258 HydrophobicContact CD1-CD1 3.47Å; L256-L258 VanDerWaalsContact CD1-CD1 3.47Å; L256-L258 HydrophobicContact CD2-CD1 4.12Å; L256-L258 HydrophobicContact CG-CD1 3.44Å; L256-L258 VanDerWaalsContact CG-CD1 3.44Å; L258-V270 WeakPolarHBondContact O-CA 3.38Å; L258-V271 PolarHBondContact N-O 3.22Å; L258-V271 PolarHBondContact O-N 3.38Å; L258-F292 HydrophobicContact CD1-CB 4.39Å; L258-F292 HydrophobicContact CD1-CD1 3.49Å; L258-F292 VanDerWaalsContact CD1-CD1 3.49Å; L258-F292 HydrophobicContact CD1-CE1 4Å; L258-F292 HydrophobicContact CD1-CG 4.09Å; L258-F292 HydrophobicContact CD2-CB 3.76Å; L258-F292 HydrophobicContact CD2-CD1 4.26Å; L258-F292 HydrophobicContact CD2-CG 4Å; L258-F292 HydrophobicContact CG-CD1 4.42Å; L258-L296 HydrophobicContact CB-CD1 3.52Å; L258-L296 HydrophobicContact CD2-CD1 4.07Å; L258-L296 HydrophobicContact CG-CD1 4.4Å
259P96.7Very high92.1Very high18 Ų1841.9 Ų41.912%0.11721%0.208CC..EExtended strand (participates in β ladder)trans-75.9143.117032.7-32.5000110.4V222 G226 K261 V267V222-P259 HydrophobicContact CG1-CB 3.98Å; V222-P259 HydrophobicContact CG1-CG 4.21Å; G226-P259 WeakPolarHBondContact O-CG 3.45Å; P259-K261 HydrophobicContact CB-CG 4.32Å; P259-V267 HydrophobicContact CB-CG1 4.06Å; P259-V267 HydrophobicContact CB-CG2 4.11Å
260I95.8Very high92.9Very high0 Ų038.5 Ų38.50%017%0.173CC..EExtended strand (participates in β ladder)trans-94119.3165.1-54.6173.9000107L176 V267 V268 G269 V271 L296 L303L176-I260 HydrophobicContact CD1-CD1 4.31Å; L176-I260 HydrophobicContact CG-CD1 4.48Å; I260-V267 CarbonylContact O-C 3.57Å; I260-V267 WeakPolarHBondContact O-CA 3.48Å; I260-V268 HydrophobicContact CB-CG2 4.22Å; I260-V268 HydrophobicContact CG2-CG2 3.73Å; I260-V268 WeakPolarHBondContact O-CG2 3.47Å; I260-V268 PolarHBondContact O-N 3.43Å; I260-G269 PolarHBondContact N-O 2.84Å; I260-G269 PolarHBondContact O-N 2.82Å; I260-V271 HydrophobicContact CD1-CG2 3.56Å; I260-V271 HydrophobicContact CG1-CG2 3.84Å; I260-L296 HydrophobicContact CG1-CD1 4.39Å; I260-L296 HydrophobicContact CG1-CD2 4.11Å; I260-L303 HydrophobicContact CD1-CD2 4.21Å; I260-L303 HydrophobicContact CG2-CD2 4.26Å
261K95.4Very high93.4Very high57 Ų5736.8 Ų36.825%0.24817%0.167CC..EExtended strand (participates in β ladder)trans-115.6145-176.4-61.6-177.6179.7176.70112.2G226 P259 E265 E266 V267 G300G226-K261 WeakPolarHBondContact O-CE 3.39Å; G226-K261 PolarHBondContact O-NZ 3.41Å; G226-K261 VanDerWaalsContact O-NZ 3.16Å; P259-K261 HydrophobicContact CB-CG 4.32Å; K261-E265 WeakPolarHBondContact CD-OE2 3.23Å; K261-E265 IonicContact NZ-OE2 3.71Å; K261-E265 PolarHBondContact NZ-OE2 2.98Å; K261-E266 CarbonylContact C-O 3.55Å; K261-E266 VanDerWaalsContact CA-O 3.26Å; K261-E266 WeakPolarHBondContact CA-O 3.42Å; K261-V267 HydrophobicContact CG-CG2 4.34Å; K261-G300 CarbonylContact O-C 3.56Å; K261-G300 VanDerWaalsContact O-CA 3.3Å; K261-G300 WeakPolarHBondContact O-CA 3.32Å
262N93.6Very high93.6Very high5 Ų530.9 Ų30.93%0.02714%0.141CC..  trans-79.9179.6170.471.47000111.3R264 E265 E266 V268 H304N262-R264 PolarHBondContact O-N 3.45Å; N262-R264 WeakPolarHBondContact OD1-CA 3.09Å; N262-R264 WeakPolarHBondContact OD1-CB 3.4Å; N262-R264 PolarHBondContact OD1-N 3.33Å; N262-E265 PolarHBondContact O-N 3.49Å; N262-E265 PolarHBondContact OD1-N 3.27Å; N262-E266 PolarHBondContact N-O 2.87Å; N262-E266 PolarHBondContact ND2-OE2 2.71Å; N262-E266 WeakPolarHBondContact OD1-CB 3.3Å; N262-E266 PolarHBondContact OD1-N 3.1Å; N262-E266 PolarHBondContact OD1-O 3.24Å; N262-V268 HydrophobicContact CB-CG1 4Å; N262-H304 HydrophobicContact CB-CB 3.84Å
263H90.3Very high93.7Very high90 Ų9030.5 Ų30.542%0.41714%0.139SC..THydrogen-bonded Turntrans-63.5-9.5177.467.190.3000114.5I301H263-I301 HydrophobicContact CB-CG1 4.45Å
264R91.8Very high93.7Very high153 Ų15329 Ų2958%0.57713%0.133SC*.THydrogen-bonded Turntrans-10111.3175.3-59.1176.260.5-130.4-9.8112.2N262 E266N262-R264 PolarHBondContact O-N 3.45Å; N262-R264 WeakPolarHBondContact OD1-CA 3.09Å; N262-R264 WeakPolarHBondContact OD1-CB 3.4Å; N262-R264 PolarHBondContact OD1-N 3.33Å; R264-E266 HydrophobicContact CB-CG 4.2Å; R264-E266 IonicContact CZ-OE1 2.58Å; R264-E266 IonicContact CZ-OE2 2.71Å; R264-E266 IonicContact NH1-OE1 3.43Å; R264-E266 PolarHBondContact NH1-OE1 3.39Å; R264-E266 IonicContact NH1-OE2 3.25Å; R264-E266 PolarHBondContact NH1-OE2 2.58Å; R264-E266 IonicContact NH2-OE1 3.31Å; R264-E266 PolarHBondContact NH2-OE1 2.98Å; R264-E266 PolarHBondContact O-N 3.04Å
265E92.5Very high93.6Very high131 Ų13130.1 Ų30.161%0.61214%0.138SC*.SBendtrans61.716.4-174.2-68.7-69.8137.100114.4K261 N262K261-E265 WeakPolarHBondContact CD-OE2 3.23Å; K261-E265 IonicContact NZ-OE2 3.71Å; K261-E265 PolarHBondContact NZ-OE2 2.98Å; N262-E265 PolarHBondContact O-N 3.49Å; N262-E265 PolarHBondContact OD1-N 3.27Å
266E93.8Very high93.5Very high77 Ų7731.6 Ų31.636%0.3615%0.145SC..  trans-83.1135174.7-59.6168.8146.800110K261 N262 R264 V268K261-E266 CarbonylContact C-O 3.55Å; K261-E266 VanDerWaalsContact CA-O 3.26Å; K261-E266 WeakPolarHBondContact CA-O 3.42Å; N262-E266 PolarHBondContact N-O 2.87Å; N262-E266 PolarHBondContact ND2-OE2 2.71Å; N262-E266 WeakPolarHBondContact OD1-CB 3.3Å; N262-E266 PolarHBondContact OD1-N 3.1Å; N262-E266 PolarHBondContact OD1-O 3.24Å; R264-E266 HydrophobicContact CB-CG 4.2Å; R264-E266 IonicContact CZ-OE1 2.58Å; R264-E266 IonicContact CZ-OE2 2.71Å; R264-E266 IonicContact NH1-OE1 3.43Å; R264-E266 PolarHBondContact NH1-OE1 3.39Å; R264-E266 IonicContact NH1-OE2 3.25Å; R264-E266 PolarHBondContact NH1-OE2 2.58Å; R264-E266 IonicContact NH2-OE1 3.31Å; R264-E266 PolarHBondContact NH2-OE1 2.98Å; R264-E266 PolarHBondContact O-N 3.04Å; E266-V268 PolarHBondContact O-N 2.91Å
267V95.8Very high92.9Very high23 Ų2337.2 Ų37.214%0.13917%0.169CC..EExtended strand (participates in β ladder)trans-74117.5178.7-173.70000109.9V179 P259 I260 K261 G269 V270V179-V267 HydrophobicContact CG2-CG1 4.16Å; V179-V267 WeakPolarHBondContact CG2-O 3.41Å; P259-V267 HydrophobicContact CB-CG1 4.06Å; P259-V267 HydrophobicContact CB-CG2 4.11Å; I260-V267 CarbonylContact O-C 3.57Å; I260-V267 WeakPolarHBondContact O-CA 3.48Å; K261-V267 HydrophobicContact CG-CG2 4.34Å; V267-G269 WeakPolarHBondContact CG1-O 3.48Å; V267-V270 HydrophobicContact CG1-CG2 4.24Å
268V94.6Very high91.7Very high7 Ų741.4 Ų41.44%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-102.9-15.4177.7-65.70000112.8V179 I260 N262 E266 L303 H304V179-V268 PolarHBondContact N-O 3.35Å; I260-V268 HydrophobicContact CB-CG2 4.22Å; I260-V268 HydrophobicContact CG2-CG2 3.73Å; I260-V268 WeakPolarHBondContact O-CG2 3.47Å; I260-V268 PolarHBondContact O-N 3.43Å; N262-V268 HydrophobicContact CB-CG1 4Å; E266-V268 PolarHBondContact O-N 2.91Å; V268-L303 HydrophobicContact CG2-CD2 4.06Å; V268-L303 HydrophobicContact CG2-CG 4.49Å; V268-H304 HydrophobicContact CG1-CB 4.23Å
269G93.9Very high89.9Confident0 Ų043.9 Ų43.90%022%0.224CC..EExtended strand (participates in β ladder)trans-169.4179174.700000111.9F177 I260 V267F177-G269 CarbonylContact O-C 3.55Å; F177-G269 WeakPolarHBondContact O-CA 3.5Å; I260-G269 PolarHBondContact N-O 2.84Å; I260-G269 PolarHBondContact O-N 2.82Å; V267-G269 WeakPolarHBondContact CG1-O 3.48Å
270V94.6Very high87.9Confident0 Ų052.3 Ų52.30%026%0.262CS..EExtended strand (participates in β ladder)trans-139.9136177.1-178.30000108.3F177 L189 V219 V222 A223 C257 L258 V267F177-V270 HydrophobicContact CB-CB 4.46Å; F177-V270 PolarHBondContact N-O 3.09Å; F177-V270 PolarHBondContact O-N 2.72Å; L189-V270 HydrophobicContact CD2-CG2 4.42Å; V219-V270 HydrophobicContact CG1-CB 3.77Å; V219-V270 HydrophobicContact CG1-CG1 3.62Å; V219-V270 HydrophobicContact CG1-CG2 4.3Å; V222-V270 HydrophobicContact CB-CG1 4.25Å; V222-V270 HydrophobicContact CG1-CG1 3.89Å; V222-V270 HydrophobicContact CG1-CG2 4.41Å; A223-V270 HydrophobicContact CB-CG2 3.73Å; C257-V270 WeakPolarHBondContact SG-CG1 3.47Å; L258-V270 WeakPolarHBondContact O-CA 3.38Å; V267-V270 HydrophobicContact CG1-CG2 4.24Å
271V93.1Very high86.2Confident1 Ų158 Ų581%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-112.4144170.7-168.70000109.6I165 S175 L176 C257 L258 I260 F292 L296I165-V271 HydrophobicContact CD1-CG1 3.97Å; I165-V271 HydrophobicContact CD1-CG2 4Å; I165-V271 HydrophobicContact CG2-CG1 4.4Å; S175-V271 WeakPolarHBondContact O-CA 3.47Å; S175-V271 WeakPolarHBondContact O-CG1 3.12Å; L176-V271 HydrophobicContact CD1-CG2 4.17Å; L176-V271 HydrophobicContact CG-CG2 4.23Å; C257-V271 CarbonylContact C-O 3.58Å; C257-V271 WeakPolarHBondContact CA-O 3.37Å; L258-V271 PolarHBondContact N-O 3.22Å; L258-V271 PolarHBondContact O-N 3.38Å; I260-V271 HydrophobicContact CD1-CG2 3.56Å; I260-V271 HydrophobicContact CG1-CG2 3.84Å; V271-F292 HydrophobicContact CB-CE2 4.38Å; V271-F292 HydrophobicContact CB-CZ 4Å; V271-F292 HydrophobicContact CG1-CE2 4.19Å; V271-F292 HydrophobicContact CG1-CZ 3.6Å; V271-L296 HydrophobicContact CB-CD1 4.44Å; V271-L296 HydrophobicContact CG2-CD1 4.3Å; V271-L296 HydrophobicContact CG2-CD2 3.96Å
272Q91.4Very high85.2Confident21 Ų2156.4 Ų56.410%0.09829%0.288CS..EExtended strand (participates in β ladder)trans-129128174.3-175.1-17513.200109.5Y174 S175 I255 L256 C257 I274Y174-Q272 CarbonylContact C-O 3.52Å; Y174-Q272 WeakPolarHBondContact CA-O 3.45Å; S175-Q272 PolarHBondContact N-O 3.38Å; S175-Q272 PolarHBondContact O-N 3.16Å; S175-Q272 PolarHBondContact OG-OE1 3.4Å; I255-Q272 HydrophobicContact CG2-CG 3.67Å; L256-Q272 CarbonylContact O-C 3.43Å; L256-Q272 WeakPolarHBondContact O-CA 3.39Å; C257-Q272 HydrophobicContact CB-CG 4.42Å; Q272-I274 HydrophobicContact CG-CD1 4.43Å; Q272-I274 HydrophobicContact CG-CG1 3.96Å
273A91.4Very high84.8Confident0 Ų057.6 Ų57.60%030%0.299CS..EExtended strand (participates in β ladder)trans-104.3136.4165.900000109A171 Y174 I255 L256 F284 F292A171-A273 HydrophobicContact CB-CB 4.09Å; Y174-A273 HydrophobicContact CD1-CB 3.57Å; Y174-A273 HydrophobicContact CE1-CB 3.79Å; I255-A273 WeakPolarHBondContact CA-O 3.32Å; L256-A273 HydrophobicContact CB-CB 4.43Å; L256-A273 PolarHBondContact N-O 2.91Å; L256-A273 PolarHBondContact O-N 2.95Å; A273-F284 HydrophobicContact CB-CE1 4.2Å; A273-F284 HydrophobicContact CB-CZ 3.89Å; A273-F292 HydrophobicContact CB-CE1 4.12Å
274I90.4Very high84.8Confident22 Ų2253.7 Ų53.711%0.11328%0.28CS..EExtended strand (participates in β ladder)trans-124.7132-173.9-57.5173000109.2A171 D172 R173 Y250 T252 S254 Q272A171-I274 WeakPolarHBondContact CB-O 3.35Å; D172-I274 PolarHBondContact N-O 3.05Å; R173-I274 HydrophobicContact CB-CB 4.32Å; R173-I274 PolarHBondContact N-O 3.18Å; R173-I274 VanDerWaalsContact N-O 3.16Å; R173-I274 PolarHBondContact O-N 3.31Å; Y250-I274 HydrophobicContact CE1-CG2 4.03Å; T252-I274 HydrophobicContact CG2-CG2 3.81Å; S254-I274 WeakPolarHBondContact O-CA 3.37Å; Q272-I274 HydrophobicContact CG-CD1 4.43Å; Q272-I274 HydrophobicContact CG-CG1 3.96Å
275N90.3Very high84.8Confident24 Ų2449.4 Ų49.413%0.12827%0.272CS..EExtended strand (participates in β ladder)trans55.998.2177.9-68.3-19.1000113.6A171 D172 Y250 K251 Q253 S254 K277A171-N275 CarbonylContact C-O 3.57Å; A171-N275 VanDerWaalsContact CA-O 3.23Å; A171-N275 WeakPolarHBondContact CA-O 3.42Å; D172-N275 HydrophobicContact CB-CB 3.77Å; D172-N275 PolarHBondContact N-O 2.93Å; Y250-N275 PolarHBondContact OH-ND2 3.49Å; K251-N275 PolarHBondContact O-ND2 2.87Å; Q253-N275 WeakPolarHBondContact CA-OD1 3.31Å; Q253-N275 WeakPolarHBondContact CB-OD1 3.47Å; Q253-N275 PolarHBondContact N-OD1 3.32Å; S254-N275 PolarHBondContact N-OD1 2.95Å; S254-N275 PolarHBondContact O-N 2.91Å; S254-N275 WeakPolarHBondContact OG-CA 3.29Å; N275-K277 PolarHBondContact O-N 3.13Å
276K90.5Very high84.8Confident31 Ų3150 Ų5014%0.13527%0.274CS..EExtended strand (participates in β ladder)trans-60.8135.9174.3-172.2172.1-178.31690111.7S254 C278 S282 A283 F284 D288S254-K276 PolarHBondContact OG-N 3.4Å; K276-C278 VanDerWaalsContact C-N 3.28Å; K276-C278 HydrophobicContact CG-CB 4.27Å; K276-C278 PolarHBondContact O-N 3.44Å; K276-S282 PolarHBondContact O-OG 3.19Å; K276-A283 WeakPolarHBondContact CD-O 3.47Å; K276-F284 HydrophobicContact CB-CD1 4.21Å; K276-F284 HydrophobicContact CB-CE1 3.93Å; K276-F284 HydrophobicContact CB-CE2 4.43Å; K276-F284 HydrophobicContact CB-CZ 4.06Å; K276-F284 HydrophobicContact CD-CD1 4.14Å; K276-F284 HydrophobicContact CG-CD1 4.34Å; K276-F284 HydrophobicContact CG-CE1 4.26Å; K276-D288 WeakPolarHBondContact CE-OD2 3.44Å; K276-D288 IonicContact NZ-OD1 2.65Å; K276-D288 IonicContact NZ-OD2 3.52Å; K276-D288 PolarHBondContact NZ-OD2 3.18Å
277K84.1Confident84.5Confident118 Ų11850.2 Ų50.251%0.51328%0.275SS..SBendtrans-80.67.6-176.2-80.6-176.9175.9160.80115.2T170 A171 N275 G279T170-K277 PolarHBondContact O-N 3.41Å; A171-K277 WeakPolarHBondContact O-CD 3.37Å; A171-K277 WeakPolarHBondContact O-CE 3.33Å; A171-K277 PolarHBondContact O-NZ 3.29Å; N275-K277 PolarHBondContact O-N 3.13Å; K277-G279 PolarHBondContact O-N 3.3Å
278C68.6Low84.2Confident89 Ų8950.2 Ų50.260%0.60128%0.275SS*.SBendtrans-102.765.5-170.9-157.70000112.5K276 S282K276-C278 VanDerWaalsContact C-N 3.28Å; K276-C278 HydrophobicContact CG-CB 4.27Å; K276-C278 PolarHBondContact O-N 3.44Å; C278-S282 VanDerWaalsContact C-OG 3.32Å; C278-S282 PolarHBondContact N-OG 2.89Å; C278-S282 WeakPolarHBondContact O-CB 3.36Å; C278-S282 PolarHBondContact O-OG 3.15Å; C278-S282 VanDerWaalsContact O-OG 3.12Å
279G59.5Low84.1Confident55 Ų5551.8 Ų51.857%0.56728%0.281SS*.SBendtrans89.4158.4178.300000115K277 N281 S282K277-G279 PolarHBondContact O-N 3.3Å; G279-N281 PolarHBondContact O-N 2.93Å; G279-S282 WeakPolarHBondContact O-CB 3.23Å; G279-S282 PolarHBondContact O-N 3.23Å; G279-S282 PolarHBondContact O-OG 3.07Å; G279-S282 VanDerWaalsContact O-OG 3.05Å
280E54.3Low83.9Confident195 Ų19558 Ų5891%0.91131%0.308SS*.THydrogen-bonded Turntrans-56.8128.8177.2-98.3-178.6155.900110.6S282E280-S282 PolarHBondContact O-N 2.86Å
281N60.1Low83.6Confident120 Ų12060.4 Ų60.464%0.64232%0.321SS*.THydrogen-bonded Turntrans65.124.6-178.3-57.6-3.8000116.5Q253 G279 A283Q253-N281 PolarHBondContact NE2-OD1 3.18Å; Q253-N281 PolarHBondContact OE1-OD1 2.78Å; G279-N281 PolarHBondContact O-N 2.93Å; N281-A283 PolarHBondContact O-N 3.08Å
282S73.9Confident83.5Confident22 Ų2260.3 Ų60.315%0.15432%0.321CS..PPolyproline II helixtrans-72.7130.4174.9630000112.8S254 K276 C278 G279 E280S254-S282 PolarHBondContact OG-O 3.38Å; S254-S282 VanDerWaalsContact OG-O 3.08Å; K276-S282 PolarHBondContact O-OG 3.19Å; C278-S282 VanDerWaalsContact C-OG 3.32Å; C278-S282 PolarHBondContact N-OG 2.89Å; C278-S282 WeakPolarHBondContact O-CB 3.36Å; C278-S282 PolarHBondContact O-OG 3.15Å; C278-S282 VanDerWaalsContact O-OG 3.12Å; G279-S282 WeakPolarHBondContact O-CB 3.23Å; G279-S282 PolarHBondContact O-N 3.23Å; G279-S282 PolarHBondContact O-OG 3.07Å; G279-S282 VanDerWaalsContact O-OG 3.05Å; E280-S282 PolarHBondContact O-N 2.86Å
283A85.5Confident83.5Confident31 Ų3162.1 Ų62.126%0.25634%0.336SS..PPolyproline II helixtrans-95.415717100000110.7K232 K276 N281K232-A283 HydrophobicContact CB-CB 4.21Å; K232-A283 HydrophobicContact CD-CB 4.09Å; K232-A283 HydrophobicContact CG-CB 3.76Å; K276-A283 WeakPolarHBondContact CD-O 3.47Å; N281-A283 PolarHBondContact O-N 3.08Å
284F91.6Very high83.5Confident7 Ų764 Ų643%0.03135%0.351CS..PPolyproline II helixtrans-65.2138.6171.4-62.6-81.8000110.4I169 A171 N230 L256 A273 K276 D288I169-F284 HydrophobicContact CG2-CD1 3.98Å; I169-F284 HydrophobicContact CG2-CE1 3.66Å; A171-F284 HydrophobicContact CB-CE1 4.11Å; A171-F284 HydrophobicContact CB-CZ 3.95Å; N230-F284 PolarHBondContact ND2-O 3.3Å; L256-F284 HydrophobicContact CB-CB 4.16Å; L256-F284 HydrophobicContact CB-CD1 4.1Å; L256-F284 HydrophobicContact CB-CD2 3.39Å; L256-F284 HydrophobicContact CB-CE1 4.35Å; L256-F284 HydrophobicContact CB-CE2 3.67Å; L256-F284 HydrophobicContact CB-CG 3.61Å; L256-F284 HydrophobicContact CB-CZ 4.14Å; L256-F284 HydrophobicContact CD2-CB 3.92Å; L256-F284 HydrophobicContact CD2-CD1 3.85Å; L256-F284 HydrophobicContact CD2-CD2 4.49Å; L256-F284 HydrophobicContact CD2-CE1 4.49Å; L256-F284 HydrophobicContact CD2-CG 3.84Å; L256-F284 HydrophobicContact CG-CB 4.48Å; L256-F284 HydrophobicContact CG-CG 4.3Å; A273-F284 HydrophobicContact CB-CE1 4.2Å; A273-F284 HydrophobicContact CB-CZ 3.89Å; K276-F284 HydrophobicContact CB-CD1 4.21Å; K276-F284 HydrophobicContact CB-CE1 3.93Å; K276-F284 HydrophobicContact CB-CE2 4.43Å; K276-F284 HydrophobicContact CB-CZ 4.06Å; K276-F284 HydrophobicContact CD-CD1 4.14Å; K276-F284 HydrophobicContact CG-CD1 4.34Å; K276-F284 HydrophobicContact CG-CE1 4.26Å; F284-D288 WeakPolarHBondContact CA-OD2 3.24Å; F284-D288 HydrophobicContact CB-CB 4.38Å; F284-D288 HydrophobicContact CD1-CB 4.39Å
285T91.8Very high83.5Confident64 Ų6463 Ų6339%0.39335%0.346SS..PPolyproline II helixtrans-88.5161.6-18058.20000110.2Q287 D288 E289T285-Q287 PolarHBondContact O-N 3.32Å; T285-Q287 VanDerWaalsContact O-N 3.17Å; T285-D288 PolarHBondContact N-OD2 2.79Å; T285-D288 WeakPolarHBondContact O-CB 3.31Å; T285-D288 PolarHBondContact O-N 3.19Å; T285-D288 PolarHBondContact OG1-N 2.82Å; T285-D288 PolarHBondContact OG1-OD1 3.38Å; T285-D288 PolarHBondContact OG1-OD2 3.26Å; T285-E289 PolarHBondContact O-N 2.97Å; T285-E289 VanDerWaalsContact O-N 3.1Å
286E90.9Very high83.6Confident144 Ų14462 Ų6267%0.67334%0.341SS*.Hα-helixtrans-59.4-25.8171.9-64.7-178.9-173.800112.4E289 K290E286-E289 PolarHBondContact O-N 2.92Å; E286-K290 WeakPolarHBondContact O-CG 3.44Å; E286-K290 PolarHBondContact O-N 3.1Å
287Q88Confident83.7Confident81 Ų8163.2 Ų63.238%0.37936%0.356SS..Hα-helixtrans-69.6-42.5173.5-171.461.140.400111.3T285 E289 K290 D291T285-Q287 PolarHBondContact O-N 3.32Å; T285-Q287 VanDerWaalsContact O-N 3.17Å; Q287-E289 VanDerWaalsContact C-N 3.26Å; Q287-E289 PolarHBondContact O-N 3.47Å; Q287-K290 PolarHBondContact O-N 3.1Å; Q287-D291 PolarHBondContact NE2-OD1 3.33Å; Q287-D291 PolarHBondContact NE2-OD2 3.18Å; Q287-D291 WeakPolarHBondContact O-CB 2.97Å; Q287-D291 VanDerWaalsContact O-CG 3.3Å; Q287-D291 PolarHBondContact O-N 3.45Å
288D89.8Confident84Confident23 Ų2361.8 Ų61.812%0.12335%0.35CS..Hα-helixtrans-59.1-42.6174.3-55.7-32.2000109.9L256 K276 F284 T285 K290 D291 F292L256-D288 HydrophobicContact CD2-CB 4.34Å; K276-D288 WeakPolarHBondContact CE-OD2 3.44Å; K276-D288 IonicContact NZ-OD1 2.65Å; K276-D288 IonicContact NZ-OD2 3.52Å; K276-D288 PolarHBondContact NZ-OD2 3.18Å; F284-D288 WeakPolarHBondContact CA-OD2 3.24Å; F284-D288 HydrophobicContact CB-CB 4.38Å; F284-D288 HydrophobicContact CD1-CB 4.39Å; T285-D288 PolarHBondContact N-OD2 2.79Å; T285-D288 WeakPolarHBondContact O-CB 3.31Å; T285-D288 PolarHBondContact O-N 3.19Å; T285-D288 PolarHBondContact OG1-N 2.82Å; T285-D288 PolarHBondContact OG1-OD1 3.38Å; T285-D288 PolarHBondContact OG1-OD2 3.26Å; D288-K290 PolarHBondContact O-N 3.23Å; D288-D291 PolarHBondContact O-N 3.07Å; D288-F292 VanDerWaalsContact O-CB 3.24Å; D288-F292 WeakPolarHBondContact O-CB 2.88Å; D288-F292 PolarHBondContact O-N 3.12Å
289E92.3Very high85.1Confident40 Ų4057.6 Ų57.619%0.18732%0.322CS..Hα-helixtrans-58.7-46.3176.3-67.2177-154.400112.4N230 L256 T285 E286 Q287 S293N230-E289 HydrophobicContact CB-CG 4.49Å; N230-E289 WeakPolarHBondContact CB-OE1 3.34Å; N230-E289 PolarHBondContact ND2-OE1 3.25Å; L256-E289 HydrophobicContact CD1-CG 3.87Å; T285-E289 PolarHBondContact O-N 2.97Å; T285-E289 VanDerWaalsContact O-N 3.1Å; E286-E289 PolarHBondContact O-N 2.92Å; Q287-E289 VanDerWaalsContact C-N 3.26Å; Q287-E289 PolarHBondContact O-N 3.47Å; E289-S293 WeakPolarHBondContact O-CB 3.43Å; E289-S293 PolarHBondContact O-N 2.96Å
290K90.6Very high86.7Confident130 Ų13055 Ų5557%0.56530%0.295SS*.Hα-helixtrans-64.9-47.3179.4-75175.3-176.1175.40111.9E286 Q287 D288 F292 S293 A294E286-K290 WeakPolarHBondContact O-CG 3.44Å; E286-K290 PolarHBondContact O-N 3.1Å; Q287-K290 PolarHBondContact O-N 3.1Å; D288-K290 PolarHBondContact O-N 3.23Å; K290-F292 VanDerWaalsContact C-N 3.32Å; K290-F292 PolarHBondContact O-N 2.98Å; K290-S293 PolarHBondContact O-N 3.33Å; K290-A294 WeakPolarHBondContact O-CB 3.08Å; K290-A294 PolarHBondContact O-N 2.99Å
291D87.5Confident88.5Confident50 Ų5048.7 Ų48.727%0.26727%0.267SS..Hα-helixtrans-64.8-41.2-178.9-66.9-19.3000110.3Q287 D288 Y295Q287-D291 PolarHBondContact NE2-OD1 3.33Å; Q287-D291 PolarHBondContact NE2-OD2 3.18Å; Q287-D291 WeakPolarHBondContact O-CB 2.97Å; Q287-D291 VanDerWaalsContact O-CG 3.3Å; Q287-D291 PolarHBondContact O-N 3.45Å; D288-D291 PolarHBondContact O-N 3.07Å; D291-Y295 PolarHBondContact O-N 3.07Å
292F90.4Very high90.1Very high0 Ų043.8 Ų43.80%024%0.241CC..Hα-helixtrans-63.3-49.5175.2-146.5166.3000111.5I165 I169 L256 L258 V271 A273 D288 K290 A294 Y295 L296I165-F292 HydrophobicContact CB-CE2 4.09Å; I165-F292 HydrophobicContact CB-CZ 4.44Å; I165-F292 HydrophobicContact CD1-CE2 3.75Å; I165-F292 HydrophobicContact CD1-CZ 4.37Å; I165-F292 HydrophobicContact CG1-CD2 4.43Å; I165-F292 HydrophobicContact CG1-CE2 3.61Å; I165-F292 HydrophobicContact CG1-CZ 4.36Å; I165-F292 HydrophobicContact CG2-CD2 4.42Å; I165-F292 HydrophobicContact CG2-CE1 4.33Å; I165-F292 HydrophobicContact CG2-CE2 3.38Å; I165-F292 HydrophobicContact CG2-CZ 3.3Å; I169-F292 HydrophobicContact CD1-CB 3.49Å; I169-F292 VanDerWaalsContact CD1-CB 3.49Å; I169-F292 HydrophobicContact CD1-CD1 3.16Å; I169-F292 HydrophobicContact CD1-CD2 4.01Å; I169-F292 HydrophobicContact CD1-CE1 3.78Å; I169-F292 HydrophobicContact CD1-CG 3.28Å; I169-F292 HydrophobicContact CD1-CZ 4.41Å; L256-F292 HydrophobicContact CD2-CD1 3.67Å; L256-F292 HydrophobicContact CD2-CE1 4.3Å; L256-F292 HydrophobicContact CG-CD1 4.06Å; L256-F292 HydrophobicContact CG-CE1 4.4Å; L258-F292 HydrophobicContact CD1-CB 4.39Å; L258-F292 HydrophobicContact CD1-CD1 3.49Å; L258-F292 VanDerWaalsContact CD1-CD1 3.49Å; L258-F292 HydrophobicContact CD1-CE1 4Å; L258-F292 HydrophobicContact CD1-CG 4.09Å; L258-F292 HydrophobicContact CD2-CB 3.76Å; L258-F292 HydrophobicContact CD2-CD1 4.26Å; L258-F292 HydrophobicContact CD2-CG 4Å; L258-F292 HydrophobicContact CG-CD1 4.42Å; V271-F292 HydrophobicContact CB-CE2 4.38Å; V271-F292 HydrophobicContact CB-CZ 4Å; V271-F292 HydrophobicContact CG1-CE2 4.19Å; V271-F292 HydrophobicContact CG1-CZ 3.6Å; A273-F292 HydrophobicContact CB-CE1 4.12Å; D288-F292 VanDerWaalsContact O-CB 3.24Å; D288-F292 WeakPolarHBondContact O-CB 2.88Å; D288-F292 PolarHBondContact O-N 3.12Å; K290-F292 VanDerWaalsContact C-N 3.32Å; K290-F292 PolarHBondContact O-N 2.98Å; F292-A294 VanDerWaalsContact C-N 3.31Å; F292-A294 PolarHBondContact O-N 2.82Å; F292-Y295 PolarHBondContact O-N 2.96Å; F292-L296 HydrophobicContact CD2-CD1 3.83Å; F292-L296 HydrophobicContact CD2-CD2 4.26Å; F292-L296 HydrophobicContact CD2-CG 3.8Å; F292-L296 HydrophobicContact CE2-CD1 3.87Å; F292-L296 HydrophobicContact CE2-CD2 4.02Å; F292-L296 HydrophobicContact CE2-CG 3.99Å; F292-L296 HydrophobicContact CG-CD1 4.47Å; F292-L296 WeakPolarHBondContact O-CG 3.47Å; F292-L296 PolarHBondContact O-N 2.92Å
293S92.3Very high91Very high59 Ų5942.8 Ų42.841%0.41323%0.234SC..Hα-helixtrans-62.7-39-177.9-172.60000111.7E289 K290 Y295 L296 A297E289-S293 WeakPolarHBondContact O-CB 3.43Å; E289-S293 PolarHBondContact O-N 2.96Å; K290-S293 PolarHBondContact O-N 3.33Å; S293-Y295 VanDerWaalsContact C-N 3.35Å; S293-L296 PolarHBondContact O-N 2.98Å; S293-A297 PolarHBondContact O-N 3.06Å
294A90.8Very high91.3Very high40 Ų4042.6 Ų42.633%0.33123%0.228SC..Hα-helixtrans-62.2-42.8177.800000111.5L141 K290 F292 F298L141-A294 HydrophobicContact CD2-CB 4.06Å; K290-A294 WeakPolarHBondContact O-CB 3.08Å; K290-A294 PolarHBondContact O-N 2.99Å; F292-A294 VanDerWaalsContact C-N 3.31Å; F292-A294 PolarHBondContact O-N 2.82Å; A294-F298 WeakPolarHBondContact O-CD2 3.45Å
295Y91.4Very high91.3Very high0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-68.2-44.1176.2-179.4-113.6000112.9L141 L144 I161 H164 I165 L168 D291 F292 S293 A297 F298 S299L141-Y295 HydrophobicContact CD1-CD2 3.8Å; L141-Y295 HydrophobicContact CD1-CG 4.27Å; L144-Y295 HydrophobicContact CB-CD2 4.34Å; L144-Y295 HydrophobicContact CB-CE2 3.85Å; I161-Y295 HydrophobicContact CG2-CE1 4.18Å; H164-Y295 HydrophobicContact CB-CE1 3.87Å; H164-Y295 HydrophobicContact CB-CE2 4.22Å; H164-Y295 WeakPolarHBondContact CB-OH 3.21Å; H164-Y295 AromaticContact ND1-CE2 3.95Å; H164-Y295 AromaticContact ND1-CZ 3.71Å; H164-Y295 PolarHBondContact ND1-OH 2.98Å; I165-Y295 HydrophobicContact CD1-CD1 4.46Å; I165-Y295 HydrophobicContact CD1-CE1 4.2Å; I165-Y295 HydrophobicContact CG1-CD1 3.82Å; I165-Y295 HydrophobicContact CG1-CE1 3.71Å; L168-Y295 HydrophobicContact CD1-CD1 3.78Å; L168-Y295 HydrophobicContact CD1-CD2 4.08Å; L168-Y295 HydrophobicContact CD1-CG 3.52Å; D291-Y295 PolarHBondContact O-N 3.07Å; F292-Y295 PolarHBondContact O-N 2.96Å; S293-Y295 VanDerWaalsContact C-N 3.35Å; Y295-A297 VanDerWaalsContact C-N 3.28Å; Y295-A297 PolarHBondContact O-N 2.92Å; Y295-F298 PolarHBondContact O-N 2.98Å; Y295-S299 WeakPolarHBondContact CE1-OG 3.23Å; Y295-S299 VanDerWaalsContact CZ-OG 3.3Å; Y295-S299 PolarHBondContact O-N 3.31Å; Y295-S299 VanDerWaalsContact O-N 3.11Å; Y295-S299 PolarHBondContact O-OG 2.91Å; Y295-S299 PolarHBondContact OH-OG 2.94Å
296L92.8Very high91.3Very high4 Ų442.6 Ų42.62%0.02123%0.226CC..Hα-helixtrans-67.2-27.3-178-66.1-174.7000113.5I165 L258 I260 V271 F292 S293 F298 S299 G300I165-L296 HydrophobicContact CD1-CD2 3.89Å; L258-L296 HydrophobicContact CB-CD1 3.52Å; L258-L296 HydrophobicContact CD2-CD1 4.07Å; L258-L296 HydrophobicContact CG-CD1 4.4Å; I260-L296 HydrophobicContact CG1-CD1 4.39Å; I260-L296 HydrophobicContact CG1-CD2 4.11Å; V271-L296 HydrophobicContact CB-CD1 4.44Å; V271-L296 HydrophobicContact CG2-CD1 4.3Å; V271-L296 HydrophobicContact CG2-CD2 3.96Å; F292-L296 HydrophobicContact CD2-CD1 3.83Å; F292-L296 HydrophobicContact CD2-CD2 4.26Å; F292-L296 HydrophobicContact CD2-CG 3.8Å; F292-L296 HydrophobicContact CE2-CD1 3.87Å; F292-L296 HydrophobicContact CE2-CD2 4.02Å; F292-L296 HydrophobicContact CE2-CG 3.99Å; F292-L296 HydrophobicContact CG-CD1 4.47Å; F292-L296 WeakPolarHBondContact O-CG 3.47Å; F292-L296 PolarHBondContact O-N 2.92Å; S293-L296 PolarHBondContact O-N 2.98Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 3.4Å; L296-S299 PolarHBondContact O-N 3.41Å; L296-G300 PolarHBondContact O-N 3.42Å
297A91.4Very high91.3Very high55 Ų5537.4 Ų37.446%0.45520%0.202SC..Hα-helixtrans-58.3-42.817500000112S293 Y295S293-A297 PolarHBondContact O-N 3.06Å; Y295-A297 VanDerWaalsContact C-N 3.28Å; Y295-A297 PolarHBondContact O-N 2.92Å
298F89.9Confident91.3Very high89 Ų8938 Ų3839%0.3921%0.207SC..Hα-helixtrans-76.4-44.2175.6-70.1-79.3000112.2V145 A294 Y295 L296 G300 I301 V302V145-F298 HydrophobicContact CG1-CB 4.11Å; V145-F298 HydrophobicContact CG1-CD1 4.01Å; V145-F298 HydrophobicContact CG1-CG 4.11Å; V145-F298 HydrophobicContact CG2-CB 3.62Å; V145-F298 HydrophobicContact CG2-CD1 4.33Å; V145-F298 HydrophobicContact CG2-CD2 3.82Å; V145-F298 HydrophobicContact CG2-CG 3.66Å; A294-F298 WeakPolarHBondContact O-CD2 3.45Å; Y295-F298 PolarHBondContact O-N 2.98Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 3.4Å; F298-G300 PolarHBondContact O-N 3.22Å; F298-I301 PolarHBondContact O-N 3.37Å; F298-I301 VanDerWaalsContact O-N 3.1Å; F298-V302 PolarHBondContact O-N 2.64Å
299S92.3Very high91.4Very high0 Ų041.9 Ų41.90%022%0.22CC..Hα-helixtrans-58-33.6179.8-67.80000112.3Y295 L296 V302 L303Y295-S299 WeakPolarHBondContact CE1-OG 3.23Å; Y295-S299 VanDerWaalsContact CZ-OG 3.3Å; Y295-S299 PolarHBondContact O-N 3.31Å; Y295-S299 VanDerWaalsContact O-N 3.11Å; Y295-S299 PolarHBondContact O-OG 2.91Å; Y295-S299 PolarHBondContact OH-OG 2.94Å; L296-S299 PolarHBondContact O-N 3.41Å; S299-V302 PolarHBondContact O-N 3.07Å; S299-L303 WeakPolarHBondContact O-CB 3.46Å; S299-L303 PolarHBondContact O-N 3.04Å
300G93.4Very high91.2Very high0 Ų042.7 Ų42.70%022%0.224CC..Hα-helixtrans-69.3-33.2177.600000114.8K261 L296 F298 H304K261-G300 CarbonylContact O-C 3.56Å; K261-G300 VanDerWaalsContact O-CA 3.3Å; K261-G300 WeakPolarHBondContact O-CA 3.32Å; L296-G300 PolarHBondContact O-N 3.42Å; F298-G300 PolarHBondContact O-N 3.22Å; G300-H304 VanDerWaalsContact O-CB 3.28Å; G300-H304 WeakPolarHBondContact O-CB 3.42Å; G300-H304 PolarHBondContact O-N 3.05Å
301I92Very high91.1Very high63 Ų6338 Ų3832%0.32321%0.207SC..Hα-helixtrans-66.5-48.7172.8-59.9168.6000109.9H263 F298 L303 H304 N305H263-I301 HydrophobicContact CB-CG1 4.45Å; F298-I301 PolarHBondContact O-N 3.37Å; F298-I301 VanDerWaalsContact O-N 3.1Å; I301-L303 PolarHBondContact O-N 2.98Å; I301-H304 PolarHBondContact O-N 3.07Å; I301-N305 VanDerWaalsContact O-CG 3.3Å; I301-N305 PolarHBondContact O-N 2.91Å
302V93Very high91.2Very high18 Ų1838.6 Ų38.611%0.10922%0.215CC..Hα-helixtrans-64-42.7-179.2-178.60000110.9V148 L157 F298 S299 N305 A306V148-V302 HydrophobicContact CG2-CG2 4.33Å; V148-V302 WeakPolarHBondContact O-CG1 3.43Å; L157-V302 HydrophobicContact CD1-CG1 3.85Å; L157-V302 HydrophobicContact CD2-CG1 3.81Å; F298-V302 PolarHBondContact O-N 2.64Å; S299-V302 PolarHBondContact O-N 3.07Å; V302-N305 PolarHBondContact O-N 3.45Å; V302-A306 PolarHBondContact O-N 3.3Å
303L92.6Very high91.1Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-63.6-42.5177.7-176.562.2000112.1V154 L157 L178 I260 V268 S299 I301 N305 A306 Q307V154-L303 HydrophobicContact CG1-CD1 4.12Å; L157-L303 HydrophobicContact CD2-CB 4.22Å; L157-L303 HydrophobicContact CD2-CD1 3.99Å; L178-L303 HydrophobicContact CD2-CD1 3.93Å; L178-L303 HydrophobicContact CD2-CD2 3.62Å; L178-L303 HydrophobicContact CD2-CG 4.25Å; I260-L303 HydrophobicContact CD1-CD2 4.21Å; I260-L303 HydrophobicContact CG2-CD2 4.26Å; V268-L303 HydrophobicContact CG2-CD2 4.06Å; V268-L303 HydrophobicContact CG2-CG 4.49Å; S299-L303 WeakPolarHBondContact O-CB 3.46Å; S299-L303 PolarHBondContact O-N 3.04Å; I301-L303 PolarHBondContact O-N 2.98Å; L303-N305 VanDerWaalsContact C-N 3.34Å; L303-N305 PolarHBondContact O-N 3.33Å; L303-A306 PolarHBondContact O-N 3.2Å; L303-Q307 WeakPolarHBondContact O-CG 3.27Å; L303-Q307 PolarHBondContact O-N 3.47Å
304H92.8Very high90.8Very high28 Ų2840.8 Ų40.813%0.1322%0.219CC..Hα-helixtrans-61.4-43.5175.1-172.655.5000111.7N262 V268 G300 I301 A306 Q307 L308N262-H304 HydrophobicContact CB-CB 3.84Å; V268-H304 HydrophobicContact CG1-CB 4.23Å; G300-H304 VanDerWaalsContact O-CB 3.28Å; G300-H304 WeakPolarHBondContact O-CB 3.42Å; G300-H304 PolarHBondContact O-N 3.05Å; I301-H304 PolarHBondContact O-N 3.07Å; H304-A306 PolarHBondContact O-N 2.72Å; H304-Q307 WeakPolarHBondContact O-CB 3.3Å; H304-Q307 PolarHBondContact O-N 3.16Å; H304-L308 WeakPolarHBondContact O-CG 3.08Å; H304-L308 PolarHBondContact O-N 2.9Å
305N91.8Very high90.6Very high70 Ų7040.3 Ų40.337%0.37421%0.21SC..Hα-helixtrans-61.9-41.9177.1-70.4-14.6000112.3I301 V302 L303 L308 Y309I301-N305 VanDerWaalsContact O-CG 3.3Å; I301-N305 PolarHBondContact O-N 2.91Å; V302-N305 PolarHBondContact O-N 3.45Å; L303-N305 VanDerWaalsContact C-N 3.34Å; L303-N305 PolarHBondContact O-N 3.33Å; N305-L308 PolarHBondContact O-N 2.98Å; N305-Y309 WeakPolarHBondContact O-CB 3.47Å; N305-Y309 PolarHBondContact O-N 2.83Å
306A91.3Very high90.4Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-63.3-41.2175.100000111.9V154 L157 V302 L303 H304 Y309 E310V154-A306 HydrophobicContact CG2-CB 3.94Å; L157-A306 HydrophobicContact CD2-CB 3.81Å; V302-A306 PolarHBondContact O-N 3.3Å; L303-A306 PolarHBondContact O-N 3.2Å; H304-A306 PolarHBondContact O-N 2.72Å; A306-Y309 PolarHBondContact O-N 2.84Å; A306-E310 PolarHBondContact O-N 3.4Å
307Q90.1Very high90.1Very high36 Ų3648 Ų4817%0.16824%0.244CC..Hα-helixtrans-63.9-41.8175.2-73.6176-21.700112.5V154 L303 H304 Y309 E310 T311V154-Q307 HydrophobicContact CG2-CG 4.16Å; L303-Q307 WeakPolarHBondContact O-CG 3.27Å; L303-Q307 PolarHBondContact O-N 3.47Å; H304-Q307 WeakPolarHBondContact O-CB 3.3Å; H304-Q307 PolarHBondContact O-N 3.16Å; Q307-Y309 VanDerWaalsContact C-N 3.33Å; Q307-E310 PolarHBondContact O-N 3.41Å; Q307-T311 WeakPolarHBondContact O-CB 3.48Å; Q307-T311 PolarHBondContact O-N 3.5Å; Q307-T311 PolarHBondContact O-OG1 3.32Å
308L90Very high89.9Confident92 Ų9247.5 Ų47.548%0.48223%0.23SC..Hα-helixtrans-62.4-42.2174.8-72.2176.2000111.2H304 N305 T311 S312H304-L308 WeakPolarHBondContact O-CG 3.08Å; H304-L308 PolarHBondContact O-N 2.9Å; N305-L308 PolarHBondContact O-N 2.98Å; L308-T311 PolarHBondContact O-N 2.84Å; L308-S312 WeakPolarHBondContact O-CB 3.3Å; L308-S312 PolarHBondContact O-N 3.19Å
309Y91.3Very high89.8Confident106 Ų10646.4 Ų46.442%0.41623%0.229SC..Hα-helixtrans-63-48.4176.2-177.8-100.5000111.9L152 N305 A306 Q307 T311 S312 Q313L152-Y309 HydrophobicContact CB-CD1 3.91Å; L152-Y309 HydrophobicContact CB-CE1 4.19Å; L152-Y309 HydrophobicContact CB-CG 4.43Å; L152-Y309 HydrophobicContact CD1-CD1 4.43Å; L152-Y309 HydrophobicContact CD1-CD2 4.45Å; L152-Y309 HydrophobicContact CD1-CE1 4.32Å; L152-Y309 HydrophobicContact CD1-CE2 4.35Å; L152-Y309 HydrophobicContact CD1-CG 4.49Å; L152-Y309 HydrophobicContact CD2-CG 4.41Å; N305-Y309 WeakPolarHBondContact O-CB 3.47Å; N305-Y309 PolarHBondContact O-N 2.83Å; A306-Y309 PolarHBondContact O-N 2.84Å; Q307-Y309 VanDerWaalsContact C-N 3.33Å; Y309-T311 VanDerWaalsContact C-N 3.29Å; Y309-T311 PolarHBondContact O-N 3.26Å; Y309-S312 PolarHBondContact O-N 3.36Å; Y309-Q313 HydrophobicContact CD1-CG 4.19Å; Y309-Q313 HydrophobicContact CE1-CG 3.79Å; Y309-Q313 HydrophobicContact CE2-CG 4.3Å; Y309-Q313 VanDerWaalsContact O-CG 3.3Å; Y309-Q313 WeakPolarHBondContact O-CG 3.31Å; Y309-Q313 PolarHBondContact O-N 3.32Å
310E88.4Confident89.6Confident56 Ų5651.5 Ų51.526%0.26225%0.253SS..Hα-helixtrans-58.3-42.5176.5-169.2-173.3-133.200111.3R90 V154 A306 Q307 Q313 L314R90-E310 IonicContact NH1-OE2 2.76Å; R90-E310 PolarHBondContact NH1-OE2 3.21Å; V154-E310 HydrophobicContact CG2-CB 4.44Å; A306-E310 PolarHBondContact O-N 3.4Å; Q307-E310 PolarHBondContact O-N 3.41Å; E310-Q313 PolarHBondContact O-N 3.24Å; E310-L314 WeakPolarHBondContact O-CB 3.2Å; E310-L314 PolarHBondContact O-N 3.01Å
311T87.9Confident89.1Confident33 Ų3352.6 Ų52.620%0.20226%0.259CS..Hα-helixtrans-63.3-45.8177-56.60000111.4L92 Q307 L308 Y309 Q313 L314 E315L92-T311 HydrophobicContact CD2-CG2 3.77Å; Q307-T311 WeakPolarHBondContact O-CB 3.48Å; Q307-T311 PolarHBondContact O-N 3.5Å; Q307-T311 PolarHBondContact O-OG1 3.32Å; L308-T311 PolarHBondContact O-N 2.84Å; Y309-T311 VanDerWaalsContact C-N 3.29Å; Y309-T311 PolarHBondContact O-N 3.26Å; T311-Q313 VanDerWaalsContact C-N 3.32Å; T311-Q313 PolarHBondContact O-N 3.3Å; T311-L314 WeakPolarHBondContact O-CB 3.48Å; T311-L314 PolarHBondContact O-N 3.02Å; T311-L314 VanDerWaalsContact O-N 3.17Å; T311-E315 WeakPolarHBondContact O-CG 3.31Å; T311-E315 PolarHBondContact O-N 3.34Å
312S88.8Confident88.8Confident62 Ų6253 Ų5343%0.43426%0.262SS..Hα-helixtrans-61.1-39.8176.2178.20000112.4L308 Y309 L314 E315 N316L308-S312 WeakPolarHBondContact O-CB 3.3Å; L308-S312 PolarHBondContact O-N 3.19Å; Y309-S312 PolarHBondContact O-N 3.36Å; S312-L314 VanDerWaalsContact C-N 3.32Å; S312-E315 PolarHBondContact O-N 2.83Å; S312-N316 WeakPolarHBondContact O-CB 3.5Å; S312-N316 PolarHBondContact O-N 3.29Å
313Q88.3Confident88.6Confident91 Ų9157.4 Ų57.443%0.42528%0.284SS..Hα-helixtrans-65.6-38.4176.7-70-69.385.700111.3Y309 E310 T311 N316 R317Y309-Q313 HydrophobicContact CD1-CG 4.19Å; Y309-Q313 HydrophobicContact CE1-CG 3.79Å; Y309-Q313 HydrophobicContact CE2-CG 4.3Å; Y309-Q313 VanDerWaalsContact O-CG 3.3Å; Y309-Q313 WeakPolarHBondContact O-CG 3.31Å; Y309-Q313 PolarHBondContact O-N 3.32Å; E310-Q313 PolarHBondContact O-N 3.24Å; T311-Q313 VanDerWaalsContact C-N 3.32Å; T311-Q313 PolarHBondContact O-N 3.3Å; Q313-N316 PolarHBondContact O-N 3.17Å; Q313-R317 VanDerWaalsContact O-CB 3.32Å; Q313-R317 WeakPolarHBondContact O-CB 3.23Å; Q313-R317 PolarHBondContact O-N 3.01Å
314L87.1Confident88.1Confident13 Ų1361 Ų617%0.06830%0.303CS..Hα-helixtrans-67.5-41.3176.3-171.966.5000112.2E87 F88 R90 L92 E310 T311 S312 R317 R318E87-L314 HydrophobicContact CB-CD1 3.97Å; E87-L314 WeakPolarHBondContact O-CD2 3.37Å; F88-L314 HydrophobicContact CD1-CD1 3.73Å; F88-L314 HydrophobicContact CD1-CD2 4.21Å; F88-L314 HydrophobicContact CD1-CG 3.77Å; F88-L314 HydrophobicContact CD2-CD1 4.37Å; F88-L314 HydrophobicContact CE1-CD1 3.33Å; F88-L314 HydrophobicContact CE1-CG 3.68Å; F88-L314 HydrophobicContact CE2-CD1 4Å; F88-L314 HydrophobicContact CG-CD1 4.24Å; F88-L314 HydrophobicContact CZ-CD1 3.5Å; F88-L314 VanDerWaalsContact CZ-CD1 3.5Å; F88-L314 HydrophobicContact CZ-CG 4.35Å; R90-L314 HydrophobicContact CG-CD2 4.13Å; L92-L314 HydrophobicContact CD1-CD2 4.39Å; L92-L314 HydrophobicContact CD2-CD2 4.19Å; E310-L314 WeakPolarHBondContact O-CB 3.2Å; E310-L314 PolarHBondContact O-N 3.01Å; T311-L314 WeakPolarHBondContact O-CB 3.48Å; T311-L314 PolarHBondContact O-N 3.02Å; T311-L314 VanDerWaalsContact O-N 3.17Å; S312-L314 VanDerWaalsContact C-N 3.32Å; L314-R317 PolarHBondContact O-N 3.42Å; L314-R318 WeakPolarHBondContact O-CB 3.49Å; L314-R318 PolarHBondContact O-N 3.18Å
315E86.6Confident87.6Confident31 Ų3160.7 Ų60.715%0.14530%0.302CS..Hα-helixtrans-61.2-43.2173-69.7-178.1162.900111.8L92 R93 T311 S312 R318 N319L92-E315 HydrophobicContact CB-CG 4.34Å; L92-E315 HydrophobicContact CD2-CG 3.88Å; R93-E315 WeakPolarHBondContact CB-OE1 3.34Å; R93-E315 WeakPolarHBondContact CG-OE1 3.22Å; R93-E315 PolarHBondContact N-OE1 3.31Å; T311-E315 WeakPolarHBondContact O-CG 3.31Å; T311-E315 PolarHBondContact O-N 3.34Å; S312-E315 PolarHBondContact O-N 2.83Å; E315-R318 WeakPolarHBondContact O-CB 3.48Å; E315-R318 PolarHBondContact O-N 3.42Å; E315-N319 VanDerWaalsContact O-CG 3.23Å; E315-N319 PolarHBondContact O-N 2.84Å; E315-N319 PolarHBondContact O-OD1 3.32Å
316N87.6Confident87.3Confident76 Ų7659 Ų5941%0.40630%0.298SS..Hα-helixtrans-63.5-44.7175.6-170.1-17.6000111S312 Q313 R318 N319 Q320S312-N316 WeakPolarHBondContact O-CB 3.5Å; S312-N316 PolarHBondContact O-N 3.29Å; Q313-N316 PolarHBondContact O-N 3.17Å; N316-R318 VanDerWaalsContact C-N 3.33Å; N316-R318 PolarHBondContact O-N 3.28Å; N316-N319 WeakPolarHBondContact O-CB 3.49Å; N316-N319 PolarHBondContact O-N 2.93Å; N316-N319 VanDerWaalsContact O-N 3.09Å; N316-Q320 WeakPolarHBondContact O-CG 3.49Å; N316-Q320 PolarHBondContact O-N 3.39Å; N316-Q320 PolarHBondContact OD1-NE2 3.09Å
317R85.8Confident87Confident89 Ų8967.1 Ų67.134%0.33633%0.328SS..Hα-helixtrans-59.9-42.9175.7-167.7175.4-166.8-173.22.9111.8K82 E87 Q313 L314 N319 Q320 V321K82-R317 PolarHBondContact O-NH2 3.07Å; E87-R317 IonicContact OE2-NH1 3.9Å; E87-R317 PolarHBondContact OE2-NH1 3.49Å; Q313-R317 VanDerWaalsContact O-CB 3.32Å; Q313-R317 WeakPolarHBondContact O-CB 3.23Å; Q313-R317 PolarHBondContact O-N 3.01Å; L314-R317 PolarHBondContact O-N 3.42Å; R317-N319 VanDerWaalsContact C-N 3.3Å; R317-N319 PolarHBondContact O-N 2.88Å; R317-Q320 PolarHBondContact O-N 2.87Å; R317-V321 VanDerWaalsContact O-CG2 3.26Å; R317-V321 WeakPolarHBondContact O-CG2 3.36Å; R317-V321 PolarHBondContact O-N 3.23Å
318R87Confident86.6Confident44 Ų4468.9 Ų68.917%0.16634%0.339CS..Hα-helixtrans-55.2-47.1172.5-172.6-178.262.4-176.2-2.4110.9F88 L92 R93 I95 L314 E315 N316 V321 L322F88-R318 HydrophobicContact CD1-CB 4.24Å; F88-R318 HydrophobicContact CD1-CG 4.47Å; F88-R318 HydrophobicContact CE1-CB 3.72Å; F88-R318 HydrophobicContact CE1-CG 4.31Å; L92-R318 VanDerWaalsContact CB-NH1 3.33Å; R93-R318 PolarHBondContact O-NH1 2.98Å; R93-R318 PolarHBondContact O-NH2 3.48Å; I95-R318 VanDerWaalsContact CG1-CZ 3.49Å; L314-R318 WeakPolarHBondContact O-CB 3.49Å; L314-R318 PolarHBondContact O-N 3.18Å; E315-R318 WeakPolarHBondContact O-CB 3.48Å; E315-R318 PolarHBondContact O-N 3.42Å; N316-R318 VanDerWaalsContact C-N 3.33Å; N316-R318 PolarHBondContact O-N 3.28Å; R318-V321 WeakPolarHBondContact O-CB 3.37Å; R318-V321 PolarHBondContact O-N 3.05Å; R318-L322 HydrophobicContact CG-CD1 4.48Å; R318-L322 WeakPolarHBondContact O-CG 3.32Å; R318-L322 PolarHBondContact O-N 2.91Å
319N88.4Confident86.2Confident67 Ų6765.9 Ų65.936%0.35832%0.323SS..Hα-helixtrans-67.4-37.6-179-66.2-8.6000112.3E315 N316 R317 V321 L322 L323E315-N319 VanDerWaalsContact O-CG 3.23Å; E315-N319 PolarHBondContact O-N 2.84Å; E315-N319 PolarHBondContact O-OD1 3.32Å; N316-N319 WeakPolarHBondContact O-CB 3.49Å; N316-N319 PolarHBondContact O-N 2.93Å; N316-N319 VanDerWaalsContact O-N 3.09Å; R317-N319 VanDerWaalsContact C-N 3.3Å; R317-N319 PolarHBondContact O-N 2.88Å; N319-V321 VanDerWaalsContact C-N 3.35Å; N319-L322 PolarHBondContact O-N 2.95Å; N319-L323 WeakPolarHBondContact O-CG 3.5Å; N319-L323 PolarHBondContact O-N 3.37Å
320Q86.7Confident85.7Confident107 Ų10767 Ų6750%0.533%0.33SS..Hα-helixtrans-60.8-45173.3-71.2174.57.200111.5N316 R317 L322 L323 D324N316-Q320 WeakPolarHBondContact O-CG 3.49Å; N316-Q320 PolarHBondContact O-N 3.39Å; N316-Q320 PolarHBondContact OD1-NE2 3.09Å; R317-Q320 PolarHBondContact O-N 2.87Å; Q320-L322 VanDerWaalsContact C-N 3.32Å; Q320-L322 PolarHBondContact O-N 3.48Å; Q320-L323 PolarHBondContact O-N 3.17Å; Q320-D324 PolarHBondContact O-N 3.46Å
321V84.4Confident85.2Confident23 Ų2371.4 Ų71.414%0.13935%0.351CS..Hα-helixtrans-59.2-45.7176.1172.60000110.4I83 R317 R318 N319 L323 D324 L325 F350I83-V321 HydrophobicContact CD1-CB 4.37Å; I83-V321 HydrophobicContact CD1-CG1 4.03Å; I83-V321 HydrophobicContact CD1-CG2 3.36Å; I83-V321 HydrophobicContact CG1-CG2 4.26Å; R317-V321 VanDerWaalsContact O-CG2 3.26Å; R317-V321 WeakPolarHBondContact O-CG2 3.36Å; R317-V321 PolarHBondContact O-N 3.23Å; R318-V321 WeakPolarHBondContact O-CB 3.37Å; R318-V321 PolarHBondContact O-N 3.05Å; N319-V321 VanDerWaalsContact C-N 3.35Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 2.87Å; V321-D324 PolarHBondContact O-N 3.01Å; V321-L325 HydrophobicContact CG1-CD1 4.25Å; V321-L325 HydrophobicContact CG1-CG 4.37Å; V321-L325 VanDerWaalsContact O-CG 3.27Å; V321-L325 WeakPolarHBondContact O-CG 3.36Å; V321-L325 PolarHBondContact O-N 2.9Å; V321-F350 HydrophobicContact CG1-CD1 4.2Å; V321-F350 HydrophobicContact CG1-CE1 3.42Å; V321-F350 VanDerWaalsContact CG1-CE1 3.42Å; V321-F350 HydrophobicContact CG1-CZ 3.84Å
322L85.8Confident84.2Confident72 Ų7275.1 Ų75.138%0.37737%0.366SS..Hα-helixtrans-59.6-40.6177.2-70.1169.2000112.8I95 R318 N319 Q320 L325 A326I95-L322 HydrophobicContact CD1-CD1 3.66Å; I95-L322 HydrophobicContact CG1-CD1 4.06Å; I95-L322 HydrophobicContact CG2-CD1 3.8Å; R318-L322 HydrophobicContact CG-CD1 4.48Å; R318-L322 WeakPolarHBondContact O-CG 3.32Å; R318-L322 PolarHBondContact O-N 2.91Å; N319-L322 PolarHBondContact O-N 2.95Å; Q320-L322 VanDerWaalsContact C-N 3.32Å; Q320-L322 PolarHBondContact O-N 3.48Å; L322-L325 PolarHBondContact O-N 3.22Å; L322-A326 WeakPolarHBondContact O-CB 3.45Å; L322-A326 PolarHBondContact O-N 2.92Å
323L87.5Confident83.2Confident110 Ų11078.6 Ų78.658%0.57638%0.375SS*.Hα-helixtrans-66.3-41.4176.8-71.5170.6000112.2N319 Q320 V321 L325 A326 R327N319-L323 WeakPolarHBondContact O-CG 3.5Å; N319-L323 PolarHBondContact O-N 3.37Å; Q320-L323 PolarHBondContact O-N 3.17Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 2.87Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-A326 PolarHBondContact O-N 3.37Å; L323-R327 WeakPolarHBondContact O-CG 3.37Å; L323-R327 PolarHBondContact O-N 3.02Å
324D83.1Confident82.5Confident75 Ų7583.6 Ų83.640%0.40140%0.398SS..Hα-helixtrans-64.6-39.9176-73.7-18.5000111.2Q320 V321 R327 L328Q320-D324 PolarHBondContact O-N 3.46Å; V321-D324 PolarHBondContact O-N 3.01Å; D324-R327 PolarHBondContact O-N 3.36Å; D324-R327 IonicContact OD1-NH1 3.57Å; D324-L328 WeakPolarHBondContact O-CG 3.41Å; D324-L328 PolarHBondContact O-N 3.2Å
325L82.4Confident82.3Confident21 Ų2185.8 Ų85.811%0.1142%0.415CS..Hα-helixtrans-63-44173.8-67.9-176.1000112.2V321 L322 L323 R327 L328 I329 T346 F350V321-L325 HydrophobicContact CG1-CD1 4.25Å; V321-L325 HydrophobicContact CG1-CG 4.37Å; V321-L325 VanDerWaalsContact O-CG 3.27Å; V321-L325 WeakPolarHBondContact O-CG 3.36Å; V321-L325 PolarHBondContact O-N 2.9Å; L322-L325 PolarHBondContact O-N 3.22Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L325-R327 VanDerWaalsContact C-N 3.3Å; L325-R327 PolarHBondContact O-N 3.32Å; L325-L328 HydrophobicContact CD2-CD1 4.33Å; L325-L328 PolarHBondContact O-N 3.22Å; L325-I329 WeakPolarHBondContact O-CD1 3.32Å; L325-I329 VanDerWaalsContact O-CG1 3.3Å; L325-I329 WeakPolarHBondContact O-CG1 3.38Å; L325-I329 PolarHBondContact O-N 3.41Å; L325-T346 HydrophobicContact CB-CG2 4.36Å; L325-T346 HydrophobicContact CD1-CG2 3.58Å; L325-T346 HydrophobicContact CD2-CG2 3.36Å; L325-T346 HydrophobicContact CG-CG2 3.91Å; L325-F350 HydrophobicContact CD1-CD2 4.2Å; L325-F350 HydrophobicContact CD1-CE2 4.23Å; L325-F350 HydrophobicContact CD1-CG 4.42Å; L325-F350 HydrophobicContact CD1-CZ 4.47Å; L325-F350 HydrophobicContact CD2-CD2 4.22Å; L325-F350 HydrophobicContact CD2-CE2 3.64Å; L325-F350 HydrophobicContact CD2-CZ 4.11Å; L325-F350 HydrophobicContact CG-CE2 4.4Å
326A85Confident82.1Confident34 Ų3489 Ų8928%0.28143%0.432SS..Hα-helixtrans-58.2-44.9175.500000110.9L322 L323 L328 I329 F330L322-A326 WeakPolarHBondContact O-CB 3.45Å; L322-A326 PolarHBondContact O-N 2.92Å; L323-A326 PolarHBondContact O-N 3.37Å; A326-L328 PolarHBondContact O-N 2.73Å; A326-I329 PolarHBondContact O-N 2.93Å; A326-F330 HydrophobicContact CB-CD2 4.22Å; A326-F330 HydrophobicContact CB-CE2 4.21Å; A326-F330 WeakPolarHBondContact O-CB 3.48Å; A326-F330 WeakPolarHBondContact O-CD2 3.37Å; A326-F330 WeakPolarHBondContact O-CG 3.33Å; A326-F330 PolarHBondContact O-N 3.29Å
327R85.4Confident81.9Confident171 Ų17189.2 Ų89.265%0.64543%0.431SS*.Hα-helixtrans-59.3-48176.1-72.4172.5177.3174.9-1.6112.1L323 D324 L325 I329 F330 E331L323-R327 WeakPolarHBondContact O-CG 3.37Å; L323-R327 PolarHBondContact O-N 3.02Å; D324-R327 PolarHBondContact O-N 3.36Å; D324-R327 IonicContact OD1-NH1 3.57Å; L325-R327 VanDerWaalsContact C-N 3.3Å; L325-R327 PolarHBondContact O-N 3.32Å; R327-I329 VanDerWaalsContact C-N 3.27Å; R327-I329 PolarHBondContact O-N 3.43Å; R327-F330 CarbonylContact O-C 3.59Å; R327-F330 PolarHBondContact O-N 2.92Å; R327-F330 VanDerWaalsContact O-N 3.12Å; R327-E331 WeakPolarHBondContact O-CB 3.47Å; R327-E331 PolarHBondContact O-N 3.24Å
328L81Confident81.8Confident73 Ų7387.5 Ų87.538%0.38243%0.43SS..Hα-helixtrans-59.2-38.1178.9-72.8174000113P79 D324 L325 A326P79-L328 HydrophobicContact CG-CD1 4.49Å; D324-L328 WeakPolarHBondContact O-CG 3.41Å; D324-L328 PolarHBondContact O-N 3.2Å; L325-L328 HydrophobicContact CD2-CD1 4.33Å; L325-L328 PolarHBondContact O-N 3.22Å; A326-L328 PolarHBondContact O-N 2.73Å
329I81.4Confident81.7Confident30 Ų3086.6 Ų86.615%0.15443%0.429CS..Hα-helixtrans-71.1-38.8177.3-65.8162.7000110.6L325 A326 R327 V339 I343L325-I329 WeakPolarHBondContact O-CD1 3.32Å; L325-I329 VanDerWaalsContact O-CG1 3.3Å; L325-I329 WeakPolarHBondContact O-CG1 3.38Å; L325-I329 PolarHBondContact O-N 3.41Å; A326-I329 PolarHBondContact O-N 2.93Å; R327-I329 VanDerWaalsContact C-N 3.27Å; R327-I329 PolarHBondContact O-N 3.43Å; I329-V339 HydrophobicContact CG2-CG1 3.95Å; I329-I343 HydrophobicContact CD1-CG1 3.92Å; I329-I343 HydrophobicContact CG1-CG1 4.05Å; I329-I343 HydrophobicContact CG2-CD1 4.14Å; I329-I343 HydrophobicContact CG2-CG1 3.82Å
330F80.5Confident81.6Confident130 Ų13084.1 Ų84.157%0.5742%0.416SS*.Hα-helixtrans-89-9.9-175-67-51.9000115.5A326 R327 E332 Q333A326-F330 HydrophobicContact CB-CD2 4.22Å; A326-F330 HydrophobicContact CB-CE2 4.21Å; A326-F330 WeakPolarHBondContact O-CB 3.48Å; A326-F330 WeakPolarHBondContact O-CD2 3.37Å; A326-F330 WeakPolarHBondContact O-CG 3.33Å; A326-F330 PolarHBondContact O-N 3.29Å; R327-F330 CarbonylContact O-C 3.59Å; R327-F330 PolarHBondContact O-N 2.92Å; R327-F330 VanDerWaalsContact O-N 3.12Å; F330-E332 PolarHBondContact O-N 3.38Å; F330-Q333 VanDerWaalsContact CD1-NE2 3.32Å
331E78.8Confident81.5Confident148 Ų14885 Ų8569%0.69241%0.414SS*.SBendtrans-66.2-31.7-176.3-167.2167.8-160.600113.8R327R327-E331 WeakPolarHBondContact O-CB 3.47Å; R327-E331 PolarHBondContact O-N 3.24Å
332E67.7Low81.5Confident110 Ų11086.7 Ų86.751%0.51442%0.42SS..  trans-133.889.5178.8-64.7174.315200111.3F330 Q334 K342F330-E332 PolarHBondContact O-N 3.38Å; E332-Q334 PolarHBondContact O-N 3.03Å; E332-K342 IonicContact OE2-NZ 3.54Å; E332-K342 PolarHBondContact OE2-NZ 2.93Å
333Q67.2Low81.5Confident135 Ų13585.7 Ų85.763%0.63142%0.415SS*.  trans-92.429.3-179.1-66-173.2-43.200114.4F330 C335F330-Q333 VanDerWaalsContact CD1-NE2 3.32Å; Q333-C335 VanDerWaalsContact C-N 3.34Å; Q333-C335 PolarHBondContact O-N 3.29Å
334Q73.3Confident81.5Confident196 Ų19680.5 Ų80.592%0.91639%0.388SS*.SBendtrans-77.8-15.6-172.8-64.5-173.8-5.300114.2E332E332-Q334 PolarHBondContact O-N 3.03Å
335C82.4Confident81.5Confident60 Ų6078.5 Ų78.541%0.40539%0.385SS..  trans-157.2135.8-179.9177.90000111.8Q333 E337 V338 V339Q333-C335 VanDerWaalsContact C-N 3.34Å; Q333-C335 PolarHBondContact O-N 3.29Å; C335-E337 VanDerWaalsContact C-N 3.3Å; C335-E337 PolarHBondContact O-N 3.02Å; C335-V338 HydrophobicContact CB-CB 4.38Å; C335-V338 HydrophobicContact CB-CG2 3.98Å; C335-V338 PolarHBondContact O-N 3.18Å; C335-V338 VanDerWaalsContact O-N 3.16Å; C335-V339 PolarHBondContact O-N 3.42Å
336L83.2Confident81.5Confident97 Ų9778.8 Ų78.851%0.50839%0.388SS..Hα-helixtrans-55.8-42.4178.3-17959.2000112.2V338 V339 L340 I360L336-V338 VanDerWaalsContact C-N 3.31Å; L336-V338 PolarHBondContact O-N 2.95Å; L336-V339 PolarHBondContact O-N 3.2Å; L336-L340 HydrophobicContact CD1-CD1 4.29Å; L336-L340 HydrophobicContact CD1-CG 4.17Å; L336-L340 HydrophobicContact CG-CD1 4.1Å; L336-L340 HydrophobicContact CG-CG 4.38Å; L336-L340 VanDerWaalsContact O-CG 3.29Å; L336-L340 WeakPolarHBondContact O-CG 3.35Å; L336-L340 PolarHBondContact O-N 3.03Å; L336-I360 HydrophobicContact CD2-CD1 3.74Å; L336-I360 HydrophobicContact CG-CD1 4.23Å
337E82.7Confident81.5Confident82 Ų8280.1 Ų80.138%0.38339%0.389SS..Hα-helixtrans-62.2-38.1-179.9-165.5-169.4147.500112.5C335 R341 L373C335-E337 VanDerWaalsContact C-N 3.3Å; C335-E337 PolarHBondContact O-N 3.02Å; E337-R341 WeakPolarHBondContact O-CB 3.15Å; E337-R341 PolarHBondContact O-N 3.42Å; E337-R341 IonicContact OE1-CZ 2.72Å; E337-R341 IonicContact OE1-NH1 3.68Å; E337-R341 IonicContact OE1-NH2 3.47Å; E337-R341 PolarHBondContact OE1-NH2 3.23Å; E337-L373 HydrophobicContact CG-CD1 4.42Å
338V83.8Confident81.4Confident52 Ų5273.1 Ų73.132%0.31537%0.365SS..Hα-helixtrans-67.6-43.5178.2176.60000110.5C335 L336 R341 K342C335-V338 HydrophobicContact CB-CB 4.38Å; C335-V338 HydrophobicContact CB-CG2 3.98Å; C335-V338 PolarHBondContact O-N 3.18Å; C335-V338 VanDerWaalsContact O-N 3.16Å; L336-V338 VanDerWaalsContact C-N 3.31Å; L336-V338 PolarHBondContact O-N 2.95Å; V338-R341 PolarHBondContact O-N 2.97Å; V338-K342 WeakPolarHBondContact O-CG 3.34Å; V338-K342 PolarHBondContact O-N 3.39Å
339V85.3Confident81.4Confident26 Ų2672.8 Ų72.816%0.15837%0.368CS..Hα-helixtrans-61.8-47.5176.7175.10000110.6I329 C335 L336 R341 K342 I343I329-V339 HydrophobicContact CG2-CG1 3.95Å; C335-V339 PolarHBondContact O-N 3.42Å; L336-V339 PolarHBondContact O-N 3.2Å; V339-R341 VanDerWaalsContact C-N 3.34Å; V339-R341 PolarHBondContact O-N 3.34Å; V339-K342 PolarHBondContact O-N 3.26Å; V339-I343 HydrophobicContact CG1-CD1 3.81Å; V339-I343 HydrophobicContact CG1-CG1 4.43Å; V339-I343 WeakPolarHBondContact O-CG1 3.27Å; V339-I343 PolarHBondContact O-N 2.89Å
340L86.4Confident81.2Confident15 Ų1574 Ų748%0.07937%0.373CS..Hα-helixtrans-63.4-39179.1-68-179.9000112.8L336 K342 I343 A344 V358 I360 L373L336-L340 HydrophobicContact CD1-CD1 4.29Å; L336-L340 HydrophobicContact CD1-CG 4.17Å; L336-L340 HydrophobicContact CG-CD1 4.1Å; L336-L340 HydrophobicContact CG-CG 4.38Å; L336-L340 VanDerWaalsContact O-CG 3.29Å; L336-L340 WeakPolarHBondContact O-CG 3.35Å; L336-L340 PolarHBondContact O-N 3.03Å; L340-K342 VanDerWaalsContact C-N 3.35Å; L340-I343 HydrophobicContact CD2-CD1 4.43Å; L340-I343 PolarHBondContact O-N 3.4Å; L340-A344 WeakPolarHBondContact O-CB 3.47Å; L340-A344 PolarHBondContact O-N 3.29Å; L340-V358 HydrophobicContact CD2-CB 4.46Å; L340-V358 HydrophobicContact CD2-CG1 3.81Å; L340-I360 HydrophobicContact CD1-CD1 3.39Å; L340-I360 HydrophobicContact CD1-CG1 4.02Å; L340-L373 HydrophobicContact CB-CD2 3.55Å
341R84.6Confident81.1Confident124 Ų12474.6 Ų74.647%0.46838%0.379SS..Hα-helixtrans-63.2-41.1174.5-173.1179.6-67.9121.32.7111.6E337 V338 V339 G345 I375E337-R341 WeakPolarHBondContact O-CB 3.15Å; E337-R341 PolarHBondContact O-N 3.42Å; E337-R341 IonicContact OE1-CZ 2.72Å; E337-R341 IonicContact OE1-NH1 3.68Å; E337-R341 IonicContact OE1-NH2 3.47Å; E337-R341 PolarHBondContact OE1-NH2 3.23Å; V338-R341 PolarHBondContact O-N 2.97Å; V339-R341 VanDerWaalsContact C-N 3.34Å; V339-R341 PolarHBondContact O-N 3.34Å; R341-G345 PolarHBondContact O-N 3Å; R341-I375 HydrophobicContact CB-CD1 4.21Å; R341-I375 HydrophobicContact CG-CD1 3.96Å
342K84.8Confident81.1Confident59 Ų5974.8 Ų74.826%0.25738%0.38SS..Hα-helixtrans-64.6-43.1174.6-73.9-176.6179.9-175.50112E332 V338 V339 L340 T346E332-K342 IonicContact OE2-NZ 3.54Å; E332-K342 PolarHBondContact OE2-NZ 2.93Å; V338-K342 WeakPolarHBondContact O-CG 3.34Å; V338-K342 PolarHBondContact O-N 3.39Å; V339-K342 PolarHBondContact O-N 3.26Å; L340-K342 VanDerWaalsContact C-N 3.35Å; K342-T346 WeakPolarHBondContact O-CB 3.49Å; K342-T346 PolarHBondContact O-N 3.12Å; K342-T346 PolarHBondContact O-OG1 3.3Å
343I85.3Confident81.7Confident51 Ų5171.5 Ų71.526%0.26237%0.372SS..Hα-helixtrans-60.2-53.7176.2-69.8167.5000110.4I329 V339 L340 G345 T346 I347I329-I343 HydrophobicContact CD1-CG1 3.92Å; I329-I343 HydrophobicContact CG1-CG1 4.05Å; I329-I343 HydrophobicContact CG2-CD1 4.14Å; I329-I343 HydrophobicContact CG2-CG1 3.82Å; V339-I343 HydrophobicContact CG1-CD1 3.81Å; V339-I343 HydrophobicContact CG1-CG1 4.43Å; V339-I343 WeakPolarHBondContact O-CG1 3.27Å; V339-I343 PolarHBondContact O-N 2.89Å; L340-I343 HydrophobicContact CD2-CD1 4.43Å; L340-I343 PolarHBondContact O-N 3.4Å; I343-G345 PolarHBondContact O-N 2.76Å; I343-T346 WeakPolarHBondContact O-CB 3.47Å; I343-T346 PolarHBondContact O-N 3Å; I343-I347 HydrophobicContact CG2-CD1 3.73Å; I343-I347 HydrophobicContact CG2-CG1 4.46Å; I343-I347 WeakPolarHBondContact O-CG1 3.42Å; I343-I347 PolarHBondContact O-N 3.04Å
344A86.9Confident82.5Confident1 Ų173 Ų731%0.00838%0.379CS..Hα-helixtrans-62.7-43.3-178.400000112.4L340 T346 I347 L348 C356 I375L340-A344 WeakPolarHBondContact O-CB 3.47Å; L340-A344 PolarHBondContact O-N 3.29Å; A344-T346 VanDerWaalsContact C-N 3.27Å; A344-T346 PolarHBondContact O-N 2.95Å; A344-I347 PolarHBondContact O-N 3.32Å; A344-L348 WeakPolarHBondContact O-CG 3.29Å; A344-L348 PolarHBondContact O-N 3.49Å; A344-C356 HydrophobicContact CB-CB 4.16Å; A344-I375 HydrophobicContact CB-CB 4.17Å; A344-I375 HydrophobicContact CB-CD1 3.44Å; A344-I375 VanDerWaalsContact CB-CD1 3.44Å; A344-I375 HydrophobicContact CB-CG1 4.22Å
345G84.3Confident83.1Confident34 Ų3465.9 Ų65.935%0.35135%0.353SS..Hα-helixtrans-61.5-36.3175.400000112.8R341 I343 S349R341-G345 PolarHBondContact O-N 3Å; I343-G345 PolarHBondContact O-N 2.76Å; G345-S349 WeakPolarHBondContact O-CB 3.3Å; G345-S349 PolarHBondContact O-N 3Å
346T82.2Confident83.5Confident27 Ų2763.8 Ų63.817%0.16634%0.339CS..Hα-helixtrans-65.9-47.6173.7-60.20000111.5L325 K342 I343 A344 L348 S349 F350L325-T346 HydrophobicContact CB-CG2 4.36Å; L325-T346 HydrophobicContact CD1-CG2 3.58Å; L325-T346 HydrophobicContact CD2-CG2 3.36Å; L325-T346 HydrophobicContact CG-CG2 3.91Å; K342-T346 WeakPolarHBondContact O-CB 3.49Å; K342-T346 PolarHBondContact O-N 3.12Å; K342-T346 PolarHBondContact O-OG1 3.3Å; I343-T346 WeakPolarHBondContact O-CB 3.47Å; I343-T346 PolarHBondContact O-N 3Å; A344-T346 VanDerWaalsContact C-N 3.27Å; A344-T346 PolarHBondContact O-N 2.95Å; T346-L348 PolarHBondContact O-N 3.27Å; T346-S349 PolarHBondContact O-N 3.41Å; T346-F350 HydrophobicContact CG2-CD2 4.04Å; T346-F350 HydrophobicContact CG2-CE2 4.49Å; T346-F350 WeakPolarHBondContact O-CD2 3.26Å; T346-F350 PolarHBondContact O-N 3.31Å
347I83.6Confident83.7Confident61 Ų6161.9 Ų61.931%0.31333%0.331SS..Hα-helixtrans-58.1-49.8178.6-69.7167.3000110.6I343 A344 S349 F350 M351I343-I347 HydrophobicContact CG2-CD1 3.73Å; I343-I347 HydrophobicContact CG2-CG1 4.46Å; I343-I347 WeakPolarHBondContact O-CG1 3.42Å; I343-I347 PolarHBondContact O-N 3.04Å; A344-I347 PolarHBondContact O-N 3.32Å; I347-S349 VanDerWaalsContact C-N 3.3Å; I347-S349 PolarHBondContact O-N 3Å; I347-F350 PolarHBondContact O-N 3.33Å; I347-M351 HydrophobicContact CG2-CB 4.45Å; I347-M351 HydrophobicContact CG2-CG 4.18Å; I347-M351 VanDerWaalsContact O-CB 3.23Å; I347-M351 WeakPolarHBondContact O-CB 2.97Å; I347-M351 PolarHBondContact O-N 2.97Å
348L84.6Confident84Confident25 Ų2559.5 Ų59.513%0.13132%0.322CS..Hα-helixtrans-58.3-43.9-179.5-71.4170.7000111.9A344 T346 Q352 A353 C356 I375A344-L348 WeakPolarHBondContact O-CG 3.29Å; A344-L348 PolarHBondContact O-N 3.49Å; T346-L348 PolarHBondContact O-N 3.27Å; L348-Q352 PolarHBondContact O-N 3.47Å; L348-A353 HydrophobicContact CD2-CB 4.27Å; L348-A353 WeakPolarHBondContact CD2-O 3.38Å; L348-C356 HydrophobicContact CD1-CB 4.36Å; L348-C356 HydrophobicContact CD2-CB 3.97Å; L348-C356 HydrophobicContact CG-CB 3.94Å; L348-I375 HydrophobicContact CD1-CB 4.21Å; L348-I375 HydrophobicContact CD1-CG2 3.55Å
349S80.1Confident84.1Confident65 Ų6562.5 Ų62.546%0.45533%0.331SS..Hα-helixtrans-68.8-39.6-177.7-160.30000113T80 G345 T346 I347T80-S349 WeakPolarHBondContact CG2-OG 3.4Å; G345-S349 WeakPolarHBondContact O-CB 3.3Å; G345-S349 PolarHBondContact O-N 3Å; T346-S349 PolarHBondContact O-N 3.41Å; I347-S349 VanDerWaalsContact C-N 3.3Å; I347-S349 PolarHBondContact O-N 3Å
350F77.1Confident84.1Confident57 Ų5763 Ų6325%0.2533%0.333CS..Hα-helixtrans-91.8-37.9-174.9-85.9-89.7000114.4P79 T80 I83 V321 L325 T346 I347 Q352P79-F350 HydrophobicContact CB-CZ 4.28Å; P79-F350 HydrophobicContact CG-CE2 4.26Å; P79-F350 HydrophobicContact CG-CZ 4.06Å; T80-F350 HydrophobicContact CG2-CD2 3.93Å; T80-F350 HydrophobicContact CG2-CE1 4.3Å; T80-F350 HydrophobicContact CG2-CE2 3.61Å; T80-F350 HydrophobicContact CG2-CG 4.41Å; T80-F350 HydrophobicContact CG2-CZ 3.83Å; I83-F350 HydrophobicContact CD1-CE1 3.75Å; I83-F350 HydrophobicContact CD1-CZ 4.13Å; V321-F350 HydrophobicContact CG1-CD1 4.2Å; V321-F350 HydrophobicContact CG1-CE1 3.42Å; V321-F350 VanDerWaalsContact CG1-CE1 3.42Å; V321-F350 HydrophobicContact CG1-CZ 3.84Å; L325-F350 HydrophobicContact CD1-CD2 4.2Å; L325-F350 HydrophobicContact CD1-CE2 4.23Å; L325-F350 HydrophobicContact CD1-CG 4.42Å; L325-F350 HydrophobicContact CD1-CZ 4.47Å; L325-F350 HydrophobicContact CD2-CD2 4.22Å; L325-F350 HydrophobicContact CD2-CE2 3.64Å; L325-F350 HydrophobicContact CD2-CZ 4.11Å; L325-F350 HydrophobicContact CG-CE2 4.4Å; T346-F350 HydrophobicContact CG2-CD2 4.04Å; T346-F350 HydrophobicContact CG2-CE2 4.49Å; T346-F350 WeakPolarHBondContact O-CD2 3.26Å; T346-F350 PolarHBondContact O-N 3.31Å; I347-F350 PolarHBondContact O-N 3.33Å; F350-Q352 VanDerWaalsContact C-N 3.27Å; F350-Q352 PolarHBondContact O-N 2.69Å
351M79.8Confident84.1Confident142 Ų14264.8 Ų64.870%0.735%0.35SS*.Hα-helixtrans-84.7-3.3-178.4-61.6-130.766.200112.9I347 A353I347-M351 HydrophobicContact CG2-CB 4.45Å; I347-M351 HydrophobicContact CG2-CG 4.18Å; I347-M351 VanDerWaalsContact O-CB 3.23Å; I347-M351 WeakPolarHBondContact O-CB 2.97Å; I347-M351 PolarHBondContact O-N 2.97Å; M351-A353 HydrophobicContact CB-CB 4.36Å; M351-A353 PolarHBondContact O-N 3.16Å; M351-A353 VanDerWaalsContact O-N 3.16Å
352Q77.8Confident84.1Confident151 Ų15161.5 Ų61.571%0.70634%0.341SS*.  trans5333.3-174.1-56.6-177.7-14.400112.1L348 F350L348-Q352 PolarHBondContact O-N 3.47Å; F350-Q352 VanDerWaalsContact C-N 3.27Å; F350-Q352 PolarHBondContact O-N 2.69Å
353A79.6Confident83.6Confident42 Ų4265.7 Ų65.735%0.34737%0.367SS..  trans-82.515018000000110.8L348 M351L348-A353 HydrophobicContact CD2-CB 4.27Å; L348-A353 WeakPolarHBondContact CD2-O 3.38Å; M351-A353 HydrophobicContact CB-CB 4.36Å; M351-A353 PolarHBondContact O-N 3.16Å; M351-A353 VanDerWaalsContact O-N 3.16Å
354Q84.4Confident83.3Confident167 Ų16770.5 Ų70.578%0.7839%0.393SS*.SBendtrans-82-26.4-179.8-67.9-178.8-15.700113.7
355A87.3Confident82.7Confident46 Ų4673 Ų7338%0.3841%0.41SS..  trans-155.8150.8-179.900000109.9F374 I375A355-F374 HydrophobicContact CB-CE2 3.94Å; A355-F374 HydrophobicContact CB-CZ 4.05Å; A355-I375 WeakPolarHBondContact CA-O 3.4Å
356C89.3Confident81.7Confident15 Ų1578.4 Ų78.410%0.10143%0.428CS..EExtended strand (participates in β ladder)trans-131.2128.4176.8-175.80000109A344 L348 I375A344-C356 HydrophobicContact CB-CB 4.16Å; L348-C356 HydrophobicContact CD1-CB 4.36Å; L348-C356 HydrophobicContact CD2-CB 3.97Å; L348-C356 HydrophobicContact CG-CB 3.94Å; C356-I375 PolarHBondContact N-O 3.24Å; C356-I375 PolarHBondContact O-N 2.96Å
357T88.9Confident81.3Confident57 Ų5784.7 Ų84.735%0.3546%0.461SS..EExtended strand (participates in β ladder)trans-121.7126.9174.7-48.50000109.1F359 T372 L373 F374T357-F359 HydrophobicContact CG2-CD2 4.33Å; T357-F359 HydrophobicContact CG2-CE1 4.1Å; T357-F359 HydrophobicContact CG2-CE2 3.7Å; T357-F359 HydrophobicContact CG2-CZ 3.57Å; T357-T372 HydrophobicContact CG2-CG2 3.57Å; T357-L373 CarbonylContact C-O 3.58Å; T357-L373 VanDerWaalsContact CA-O 3.31Å; T357-L373 WeakPolarHBondContact CA-O 3.38Å; T357-F374 WeakPolarHBondContact OG1-CD2 3.36Å
358V87.3Confident81.1Confident32 Ų3285.6 Ų85.619%0.19447%0.469CS..EExtended strand (participates in β ladder)trans-110.3123.5174.9-172.10000109.3L340 T372 L373L340-V358 HydrophobicContact CD2-CB 4.46Å; L340-V358 HydrophobicContact CD2-CG1 3.81Å; V358-T372 WeakPolarHBondContact O-CA 3.44Å; V358-L373 PolarHBondContact N-O 3.12Å; V358-L373 PolarHBondContact O-N 2.88Å
359F87.1Confident80.8Confident115 Ų11590.6 Ų90.650%0.50449%0.49SS..EExtended strand (participates in β ladder)trans-102.3127.9174.9-60.2-84.2000109.3T357 F369 T372T357-F359 HydrophobicContact CG2-CD2 4.33Å; T357-F359 HydrophobicContact CG2-CE1 4.1Å; T357-F359 HydrophobicContact CG2-CE2 3.7Å; T357-F359 HydrophobicContact CG2-CZ 3.57Å; F359-F369 HydrophobicContact CB-CD1 3.7Å; F359-F369 HydrophobicContact CB-CE1 3.83Å; F359-F369 HydrophobicContact CB-CG 4.2Å; F359-F369 HydrophobicContact CB-CZ 4.43Å; F359-F369 HydrophobicContact CD1-CD2 4.41Å; F359-F369 HydrophobicContact CD1-CG 4.41Å; F359-T372 HydrophobicContact CD1-CG2 3.97Å; F359-T372 HydrophobicContact CE1-CG2 3.76Å; F359-T372 HydrophobicContact CZ-CG2 4.46Å
360I85.8Confident80.5Confident37 Ų3790.9 Ų90.919%0.1949%0.492CS..EExtended strand (participates in β ladder)trans-102123.4176.2-48.5178.4000107.5L336 L340 F369 S370 Q371L336-I360 HydrophobicContact CD2-CD1 3.74Å; L336-I360 HydrophobicContact CG-CD1 4.23Å; L340-I360 HydrophobicContact CD1-CD1 3.39Å; L340-I360 HydrophobicContact CD1-CG1 4.02Å; I360-F369 CarbonylContact O-C 3.46Å; I360-F369 WeakPolarHBondContact O-CA 3.36Å; I360-S370 PolarHBondContact O-N 2.72Å; I360-S370 PolarHBondContact O-OG 3.02Å; I360-Q371 HydrophobicContact CB-CB 4.4Å; I360-Q371 HydrophobicContact CD1-CB 3.89Å; I360-Q371 HydrophobicContact CD1-CG 4.39Å; I360-Q371 HydrophobicContact CG1-CB 4.36Å; I360-Q371 PolarHBondContact N-O 3.41Å
361A85.4Confident80.4Confident52 Ų5292 Ų9243%0.4350%0.498SS..EExtended strand (participates in β ladder)trans-70.3149174.400000110.6S370A361-S370 PolarHBondContact O-OG 3.42Å
362D84Confident80.3Confident55 Ų5589 Ų8929%0.29449%0.488SS..EExtended strand (participates in β ladder)trans-78.1134.2170.6-16812.7000110.2D364 S365 V368D362-D364 VanDerWaalsContact C-N 3.26Å; D362-D364 PolarHBondContact O-N 3.36Å; D362-S365 CarbonylContact O-C 3.45Å; D362-S365 PolarHBondContact O-N 3.2Å; D362-V368 WeakPolarHBondContact CB-O 3.39Å; D362-V368 PolarHBondContact N-O 3.41Å
363D76.1Confident80.3Confident148 Ų14882.9 Ų82.979%0.79146%0.459SS*.THydrogen-bonded Turntrans-65.6-31.9-176.2-91.5-16.7000111.6
364D77.9Confident80.3Confident152 Ų15286.6 Ų86.681%0.81347%0.468SS*.THydrogen-bonded Turntrans-85.9-16.8-178-71.5-29.5000113.1D362D362-D364 VanDerWaalsContact C-N 3.26Å; D362-D364 PolarHBondContact O-N 3.36Å
365S74.1Confident79.9Confident53 Ų5380.5 Ų80.537%0.37144%0.44SS..EExtended strand (participates in β ladder)trans-144.294.8-172.6-68.70000111.4D362 N367 V368D362-S365 CarbonylContact O-C 3.45Å; D362-S365 PolarHBondContact O-N 3.2Å; S365-N367 PolarHBondContact O-N 3.33Å; S365-V368 PolarHBondContact O-N 3.2Å
366M62.8Low79Confident147 Ų14787.2 Ų87.272%0.72446%0.464SS*.EExtended strand (participates in β ladder)trans-56.3-9-179.3-67.9-71122.800115.8
367N75.1Confident78.5Confident160 Ų16090.9 Ų90.986%0.85648%0.482SS*.EExtended strand (participates in β ladder)trans-111.25.1-179.2-64.8-24.7000113.7S365S365-N367 PolarHBondContact O-N 3.33Å
368V77.9Confident78Confident79 Ų7992.6 Ų92.648%0.47949%0.489SS..EExtended strand (participates in β ladder)trans-125.3142.4-177.3-171.90000109.5D362 S365D362-V368 WeakPolarHBondContact CB-O 3.39Å; D362-V368 PolarHBondContact N-O 3.41Å; S365-V368 PolarHBondContact O-N 3.2Å
369F79.4Confident77.4Confident130 Ų13096 Ų9657%0.5751%0.506SS*.EExtended strand (participates in β ladder)trans-98.1128.9176.2-57.8-67000110.3F359 I360F359-F369 HydrophobicContact CB-CD1 3.7Å; F359-F369 HydrophobicContact CB-CE1 3.83Å; F359-F369 HydrophobicContact CB-CG 4.2Å; F359-F369 HydrophobicContact CB-CZ 4.43Å; F359-F369 HydrophobicContact CD1-CD2 4.41Å; F359-F369 HydrophobicContact CD1-CG 4.41Å; I360-F369 CarbonylContact O-C 3.46Å; I360-F369 WeakPolarHBondContact O-CA 3.36Å
370S74.5Confident76.9Confident71 Ų7194.9 Ų94.950%0.49751%0.506SS..EExtended strand (participates in β ladder)trans-81.9-34.9-179.554.50000112.3I360 A361I360-S370 PolarHBondContact O-N 2.72Å; I360-S370 PolarHBondContact O-OG 3.02Å; A361-S370 PolarHBondContact O-OG 3.42Å
371Q75.1Confident76.3Confident81 Ų8198.5 Ų98.538%0.37953%0.525SS..EExtended strand (participates in β ladder)trans-149.4150.6-178.2-168.1174.61.100111.7I360I360-Q371 HydrophobicContact CB-CB 4.4Å; I360-Q371 HydrophobicContact CD1-CB 3.89Å; I360-Q371 HydrophobicContact CD1-CG 4.39Å; I360-Q371 HydrophobicContact CG1-CB 4.36Å; I360-Q371 PolarHBondContact N-O 3.41Å
372T77.5Confident75.7Confident79 Ų79101.6 Ų101.649%0.48553%0.532SS..EExtended strand (participates in β ladder)trans-128.2131.3173.2-56.50000109.8T357 V358 F359T357-T372 HydrophobicContact CG2-CG2 3.57Å; V358-T372 WeakPolarHBondContact O-CA 3.44Å; F359-T372 HydrophobicContact CD1-CG2 3.97Å; F359-T372 HydrophobicContact CE1-CG2 3.76Å; F359-T372 HydrophobicContact CZ-CG2 4.46Å
373L77.7Confident75.1Confident22 Ų22104.9 Ų104.912%0.11555%0.549CS..EExtended strand (participates in β ladder)trans-115.2119.4172.7-170.784.3000109.2E337 L340 T357 V358 I375E337-L373 HydrophobicContact CG-CD1 4.42Å; L340-L373 HydrophobicContact CB-CD2 3.55Å; T357-L373 CarbonylContact C-O 3.58Å; T357-L373 VanDerWaalsContact CA-O 3.31Å; T357-L373 WeakPolarHBondContact CA-O 3.38Å; V358-L373 PolarHBondContact N-O 3.12Å; V358-L373 PolarHBondContact O-N 2.88Å; L373-I375 HydrophobicContact CD2-CD1 3.55Å; L373-I375 HydrophobicContact CD2-CG1 4.24Å; L373-I375 HydrophobicContact CG-CD1 4.1Å; L373-I375 HydrophobicContact CG-CG1 4.27Å
374F79.1Confident75.1Confident121 Ų121101.6 Ų101.653%0.53153%0.53SS..EExtended strand (participates in β ladder)trans-109.5127.7176178.6-97.4000110.1A355 T357 Q376A355-F374 HydrophobicContact CB-CE2 3.94Å; A355-F374 HydrophobicContact CB-CZ 4.05Å; T357-F374 WeakPolarHBondContact OG1-CD2 3.36Å; F374-Q376 HydrophobicContact CE1-CB 3.85Å; F374-Q376 HydrophobicContact CZ-CB 4.08Å
375I76.8Confident74.8Confident38 Ų3897.4 Ų97.420%0.19551%0.507CS..EExtended strand (participates in β ladder)trans-133.8131177.4-61.7172.6000108.3R341 A344 L348 A355 C356 L373R341-I375 HydrophobicContact CB-CD1 4.21Å; R341-I375 HydrophobicContact CG-CD1 3.96Å; A344-I375 HydrophobicContact CB-CB 4.17Å; A344-I375 HydrophobicContact CB-CD1 3.44Å; A344-I375 VanDerWaalsContact CB-CD1 3.44Å; A344-I375 HydrophobicContact CB-CG1 4.22Å; L348-I375 HydrophobicContact CD1-CB 4.21Å; L348-I375 HydrophobicContact CD1-CG2 3.55Å; A355-I375 WeakPolarHBondContact CA-O 3.4Å; C356-I375 PolarHBondContact N-O 3.24Å; C356-I375 PolarHBondContact O-N 2.96Å; L373-I375 HydrophobicContact CD2-CD1 3.55Å; L373-I375 HydrophobicContact CD2-CG1 4.24Å; L373-I375 HydrophobicContact CG-CD1 4.1Å; L373-I375 HydrophobicContact CG-CG1 4.27Å
376Q67.9Low74.9Confident188 Ų188101.5 Ų101.588%0.87952%0.519SS*.  trans-121.20-179.4-173.1178.7-18.900110.2F374F374-Q376 HydrophobicContact CE1-CB 3.85Å; F374-Q376 HydrophobicContact CZ-CB 4.08Å

Retrieved 376 of 376 residues in 127.7 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).