A0A061I7H1_CRIGR Loading...

Essential protein Yae1 containing protein

AlphaFold DB , UniProt , Accession A0A061I7H1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Yae1, Length 225 aa.

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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
1M43.8Very low50.7Low245 Ų245157.3 Ų157.3100%1.20783%0.83SS**  095.10-68.2-60.3-178.600108.5
2S54Low50.7Low98 Ų98153.2 Ų153.269%0.68582%0.824SS**  trans177.1119.9169.7174.50000105
3W41.1Very low50.7Low241 Ų241149.2 Ų149.291%0.91382%0.815SS**  trans-173.780.1143.6-73.7108.5000106.2
4V52.1Low50.5Low147 Ų147142.5 Ų142.589%0.89180%0.798SS**  trans-86.7112.7152.3171.80000105
5R50.4Low51Low221 Ų221143.6 Ų143.683%0.83480%0.801SS**  trans-106.4112.6168.4-161.7174.2-159.3169.44.5106.7V7R5-V7 PolarHBondContact O-N 2.78Å
6A57.5Low51.2Low85 Ų85145.2 Ų145.270%0.70280%0.8SS**PPolyproline II helixtrans-55.9133.5173.900000109.7
7V54.2Low51.5Low128 Ų128143.2 Ų143.278%0.77679%0.789SS**PPolyproline II helixtrans-65.5123.9170.4173.60000107.2R5 E9R5-V7 PolarHBondContact O-N 2.78Å; V7-E9 PolarHBondContact O-N 3.39Å
8P50.3Low52.1Low112 Ų112142.5 Ų142.573%0.72779%0.789SS**PPolyproline II helixtrans-64.6128.1167.6-12.927.6000108I10P8-I10 PolarHBondContact O-N 3.13Å; P8-I10 VanDerWaalsContact O-N 3.12Å
9E49.1Very low52.6Low188 Ų188143.4 Ų143.488%0.87978%0.784SS**PPolyproline II helixtrans-51.8119.7169.5-67.5-171.8162.700108.7V7 P11V7-E9 PolarHBondContact O-N 3.39Å; E9-P11 WeakPolarHBondContact O-CD 3.36Å
10I56.5Low53.4Low151 Ų151142.3 Ų142.377%0.77478%0.777SS**PPolyproline II helixtrans-61.7119164.5-61.5165.2000104.1P8 S12P8-I10 PolarHBondContact O-N 3.13Å; P8-I10 VanDerWaalsContact O-N 3.12Å; I10-S12 PolarHBondContact O-N 3.42Å
11P48.6Very low53.8Low114 Ų114144.7 Ų144.774%0.7478%0.783SS**PPolyproline II helixtrans-59.3118.2166.610.4-2.4000104.7E9 S13E9-P11 WeakPolarHBondContact O-CD 3.36Å; P11-S13 VanDerWaalsContact C-N 3.26Å; P11-S13 PolarHBondContact O-N 3.3Å
12S50.4Low54.7Low108 Ų108141.4 Ų141.476%0.75577%0.765SS**  trans-56.5106.3164.763.60000104.5I10 G14I10-S12 PolarHBondContact O-N 3.42Å; S12-G14 PolarHBondContact O-N 3.05Å
13S51.7Low55.4Low101 Ų101139.3 Ų139.371%0.70675%0.753SS**  trans-64.686.7170.3-174.60000104.8P11 D15P11-S13 VanDerWaalsContact C-N 3.26Å; P11-S13 PolarHBondContact O-N 3.3Å; S13-D15 PolarHBondContact O-N 3.44Å
14G47.9Very low57Low56 Ų56131.6 Ų131.658%0.57773%0.73SS**  trans-54.9131172.400000107.5S12 Q16S12-G14 PolarHBondContact O-N 3.05Å; G14-Q16 PolarHBondContact O-N 2.87Å; G14-Q16 VanDerWaalsContact O-N 3.13Å
15D57.7Low58.3Low159 Ų159132 Ų13285%0.8572%0.722SS**  trans28.276.3157.4-62.3-16.1000113.6S13 D17S13-D15 PolarHBondContact O-N 3.44Å; D15-D17 PolarHBondContact O-N 3.08Å
16Q54.4Low59.8Low169 Ų169126 Ų12679%0.7971%0.71SS**  trans-67.593.2153.4-139.7170.625.900104.4G14 V18G14-Q16 PolarHBondContact O-N 2.87Å; G14-Q16 VanDerWaalsContact O-N 3.13Å; Q16-V18 WeakPolarHBondContact O-CG2 2.91Å; Q16-V18 PolarHBondContact O-N 3.25Å
17D56Low60.9Low112 Ų112127.2 Ų127.260%0.59970%0.704SS**  trans-53.8110178.7-153.6-12.9000107.2D15 F19D15-D17 PolarHBondContact O-N 3.08Å; D17-F19 PolarHBondContact O-N 3.48Å
18V62.1Low62.3Low130 Ų130125.5 Ų125.579%0.78869%0.69SS**SBendtrans-69.5-14.6-176.7178.40000109.6Q16Q16-V18 WeakPolarHBondContact O-CG2 2.91Å; Q16-V18 PolarHBondContact O-N 3.25Å
19F62.6Low64.1Low160 Ų160124.7 Ų124.770%0.70268%0.683SS**SBendtrans-106.5109.1176.7-58.5-80000108.4D17 E21D17-F19 PolarHBondContact O-N 3.48Å; F19-E21 PolarHBondContact O-N 3.16Å
20D66.7Low66Low120 Ų120120.3 Ų120.364%0.64266%0.662SS**  trans-67.697.7167.8-167.4-3.4000107.4E22 A23D20-E22 PolarHBondContact O-N 3.47Å; D20-E22 VanDerWaalsContact O-N 3.1Å; D20-E22 PolarHBondContact OD1-N 3.34Å; D20-A23 HydrophobicContact CB-CB 4.35Å; D20-A23 VanDerWaalsContact O-CB 3.28Å; D20-A23 WeakPolarHBondContact O-CB 3.41Å; D20-A23 PolarHBondContact O-N 3.34Å
21E63.7Low67.5Low194 Ų194121.9 Ų121.991%0.90766%0.658SS**THydrogen-bonded Turntrans-60.1-15.6178.9-168.2172.6-160.100111.7F19F19-E21 PolarHBondContact O-N 3.16Å
22E62.5Low69.6Low176 Ų176122.2 Ų122.282%0.82265%0.65SS**THydrogen-bonded Turntrans-10417.2177-141.6114.2-148.700112.9D20 D24D20-E22 PolarHBondContact O-N 3.47Å; D20-E22 VanDerWaalsContact O-N 3.1Å; D20-E22 PolarHBondContact OD1-N 3.34Å; E22-D24 PolarHBondContact O-N 2.99Å; E22-D24 VanDerWaalsContact O-N 3.09Å
23A68.3Low71.7Confident53 Ų53123.5 Ų123.544%0.43864%0.639SS.*  trans-58.6116.8174.100000110.2D20 E25D20-A23 HydrophobicContact CB-CB 4.35Å; D20-A23 VanDerWaalsContact O-CB 3.28Å; D20-A23 WeakPolarHBondContact O-CB 3.41Å; D20-A23 PolarHBondContact O-N 3.34Å; A23-E25 PolarHBondContact O-N 3.08Å
24D75.1Confident73.6Confident79 Ų79123.6 Ų123.642%0.42263%0.628SS.*  trans-66.895.6-178.7-172.5-4000110.6E22 T26 L27E22-D24 PolarHBondContact O-N 2.99Å; E22-D24 VanDerWaalsContact O-N 3.09Å; D24-T26 PolarHBondContact O-N 3.3Å; D24-T26 VanDerWaalsContact O-N 3.08Å; D24-T26 VanDerWaalsContact OD1-CB 3.28Å; D24-T26 WeakPolarHBondContact OD1-CB 3.37Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.46Å; D24-T26 PolarHBondContact OD1-N 3.3Å; D24-T26 PolarHBondContact OD1-OG1 3.15Å; D24-T26 PolarHBondContact OD2-OG1 3.35Å; D24-L27 HydrophobicContact CB-CB 4.44Å; D24-L27 HydrophobicContact CB-CD1 3.99Å; D24-L27 HydrophobicContact CB-CG 4.01Å; D24-L27 WeakPolarHBondContact O-CB 3.25Å; D24-L27 PolarHBondContact O-N 3.31Å; D24-L27 WeakPolarHBondContact OD2-CG 3.48Å
25E79.3Confident75.6Confident157 Ų157122.2 Ų122.273%0.73461%0.613SS**Hα-helixtrans-53.9-28.4177.2-63.2-171.9161.300111.6A23 L27 L28 V29A23-E25 PolarHBondContact O-N 3.08Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 3.42Å; E25-L28 PolarHBondContact O-N 3.25Å; E25-V29 WeakPolarHBondContact O-CG2 3.24Å; E25-V29 PolarHBondContact O-N 3.33Å
26T80.4Confident77.4Confident93 Ų93118.5 Ų118.557%0.57159%0.591SS**Hα-helixtrans-68.8-31.8179.276.10000112.6D24 Q30D24-T26 PolarHBondContact O-N 3.3Å; D24-T26 VanDerWaalsContact O-N 3.08Å; D24-T26 VanDerWaalsContact OD1-CB 3.28Å; D24-T26 WeakPolarHBondContact OD1-CB 3.37Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.46Å; D24-T26 PolarHBondContact OD1-N 3.3Å; D24-T26 PolarHBondContact OD1-OG1 3.15Å; D24-T26 PolarHBondContact OD2-OG1 3.35Å; T26-Q30 VanDerWaalsContact O-CB 3.3Å; T26-Q30 WeakPolarHBondContact O-CB 3.45Å; T26-Q30 PolarHBondContact O-N 3.08Å
27L81.4Confident79.2Confident112 Ų112113.6 Ų113.659%0.58657%0.569SS**Hα-helixtrans-71.4-35.5174.8-66.9179.5000112D24 E25 R31D24-L27 HydrophobicContact CB-CB 4.44Å; D24-L27 HydrophobicContact CB-CD1 3.99Å; D24-L27 HydrophobicContact CB-CG 4.01Å; D24-L27 WeakPolarHBondContact O-CB 3.25Å; D24-L27 PolarHBondContact O-N 3.31Å; D24-L27 WeakPolarHBondContact OD2-CG 3.48Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 3.42Å; L27-R31 WeakPolarHBondContact O-CB 3.43Å; L27-R31 PolarHBondContact O-N 2.87Å
28L83.1Confident80.7Confident92 Ų92116 Ų11648%0.48257%0.569SS.*Hα-helixtrans-64.9-49.4174-65179.4000110.4E25 Q30 R31 E32E25-L28 PolarHBondContact O-N 3.25Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 3.49Å; L28-R31 PolarHBondContact O-N 3.38Å; L28-E32 WeakPolarHBondContact O-CG 3.41Å; L28-E32 PolarHBondContact O-N 2.93Å
29V88.1Confident82.1Confident94 Ų94115.2 Ų115.257%0.5755%0.552SS**Hα-helixtrans-57.5-42.7176.1171.70000111.4E25 E32 W33E25-V29 WeakPolarHBondContact O-CG2 3.24Å; E25-V29 PolarHBondContact O-N 3.33Å; V29-E32 PolarHBondContact O-N 3.01Å; V29-W33 WeakPolarHBondContact O-CB 3.43Å; V29-W33 PolarHBondContact O-N 3.03Å
30Q89.7Confident83.4Confident96 Ų96114.7 Ų114.745%0.44955%0.546SS..Hα-helixtrans-66.1-40.1178.8-17766.4-7.800112.4T26 L28 W33 Q34T26-Q30 VanDerWaalsContact O-CB 3.3Å; T26-Q30 WeakPolarHBondContact O-CB 3.45Å; T26-Q30 PolarHBondContact O-N 3.08Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 3.49Å; Q30-W33 PolarHBondContact O-N 2.9Å; Q30-Q34 VanDerWaalsContact O-CG 3.3Å; Q30-Q34 WeakPolarHBondContact O-CG 3.44Å; Q30-Q34 PolarHBondContact O-N 3.2Å
31R88.5Confident84.4Confident184 Ų184114.5 Ų114.569%0.69454%0.543SS*.Hα-helixtrans-64.4-44.9176.1-179-174.3-64.9-176.31.1111.4L27 L28 Q34 G35L27-R31 WeakPolarHBondContact O-CB 3.43Å; L27-R31 PolarHBondContact O-N 2.87Å; L28-R31 PolarHBondContact O-N 3.38Å; R31-Q34 PolarHBondContact O-N 3.35Å; R31-G35 PolarHBondContact O-N 3.22Å
32E92.6Very high85.4Confident122 Ų122110.3 Ų110.357%0.5752%0.524SS*.Hα-helixtrans-61.7-47.2176.7-72.4-179175.200110.8L28 V29 Q34 G35 H36L28-E32 WeakPolarHBondContact O-CG 3.41Å; L28-E32 PolarHBondContact O-N 2.93Å; V29-E32 PolarHBondContact O-N 3.01Å; E32-Q34 PolarHBondContact O-N 2.8Å; E32-G35 PolarHBondContact O-N 3.36Å; E32-G35 VanDerWaalsContact O-N 3.16Å; E32-H36 WeakPolarHBondContact O-CB 3.4Å; E32-H36 PolarHBondContact O-CD2 3.03Å; E32-H36 PolarHBondContact O-N 3.36Å
33W92.9Very high86.6Confident135 Ų135106.7 Ų106.751%0.51151%0.507SS..Hα-helixtrans-55-48.3176.1174.8-104.5000112.3V29 Q30 G35 H36 M37V29-W33 WeakPolarHBondContact O-CB 3.43Å; V29-W33 PolarHBondContact O-N 3.03Å; Q30-W33 PolarHBondContact O-N 2.9Å; W33-G35 PolarHBondContact O-N 3.28Å; W33-H36 PolarHBondContact O-N 2.87Å; W33-M37 HydrophobicContact CH2-CE 3.81Å; W33-M37 HydrophobicContact CZ2-CE 3.42Å; W33-M37 VanDerWaalsContact CZ2-CE 3.42Å; W33-M37 WeakPolarHBondContact O-CB 3.42Å; W33-M37 PolarHBondContact O-N 3.45Å
34Q91.8Very high87.6Confident102 Ų102106.1 Ų106.148%0.47751%0.507SS..Hα-helixtrans-62-42.3177.4-72.7176.45.500112.2Q30 R31 E32 M37 R38Q30-Q34 VanDerWaalsContact O-CG 3.3Å; Q30-Q34 WeakPolarHBondContact O-CG 3.44Å; Q30-Q34 PolarHBondContact O-N 3.2Å; R31-Q34 PolarHBondContact O-N 3.35Å; E32-Q34 PolarHBondContact O-N 2.8Å; Q34-M37 PolarHBondContact O-N 3.12Å; Q34-R38 WeakPolarHBondContact O-CB 3.42Å; Q34-R38 PolarHBondContact O-N 3.28Å
35G91.8Very high88.2Confident27 Ų27107.6 Ų107.628%0.27851%0.507SS..Hα-helixtrans-65.9-37.4176.900000113.1R31 E32 W33 R39R31-G35 PolarHBondContact O-N 3.22Å; E32-G35 PolarHBondContact O-N 3.36Å; E32-G35 VanDerWaalsContact O-N 3.16Å; W33-G35 PolarHBondContact O-N 3.28Å; G35-R39 PolarHBondContact O-N 2.95Å; G35-R39 PolarHBondContact O-NE 2.98Å
36H93.6Very high88.6Confident81 Ų81108.4 Ų108.438%0.37550%0.503SS..Hα-helixtrans-68.2-42.9173.7-79.6-68.7000111.7E32 W33 R39 R40E32-H36 WeakPolarHBondContact O-CB 3.4Å; E32-H36 PolarHBondContact O-CD2 3.03Å; E32-H36 PolarHBondContact O-N 3.36Å; W33-H36 PolarHBondContact O-N 2.87Å; H36-R39 PolarHBondContact CE1-NH2 3.13Å; H36-R39 PolarHBondContact ND1-NH1 3.47Å; H36-R39 PolarHBondContact ND1-NH2 3.48Å; H36-R39 PolarHBondContact O-N 3.44Å; H36-R40 WeakPolarHBondContact O-CG 3.43Å; H36-R40 PolarHBondContact O-N 3.05Å
37M92.6Very high89Confident66 Ų66109.1 Ų109.133%0.32550%0.503SS..Hα-helixtrans-64.8-43.7179.7-170.356.865.500111.6W33 Q34 R39 R40 I41W33-M37 HydrophobicContact CH2-CE 3.81Å; W33-M37 HydrophobicContact CZ2-CE 3.42Å; W33-M37 VanDerWaalsContact CZ2-CE 3.42Å; W33-M37 WeakPolarHBondContact O-CB 3.42Å; W33-M37 PolarHBondContact O-N 3.45Å; Q34-M37 PolarHBondContact O-N 3.12Å; M37-R39 VanDerWaalsContact C-N 3.33Å; M37-R39 PolarHBondContact O-N 3.28Å; M37-R40 PolarHBondContact O-N 2.93Å; M37-I41 HydrophobicContact CG-CD1 4.22Å; M37-I41 WeakPolarHBondContact O-CG1 3.32Å; M37-I41 PolarHBondContact O-N 3.3Å; M37-I41 VanDerWaalsContact O-N 3.11Å
38R88.6Confident89.4Confident163 Ų163105.9 Ų105.962%0.61550%0.497SS*.Hα-helixtrans-58.8-44.6175.9-170.5-178.6-59.4155.83.2111.8Q34 I41 Q42Q34-R38 WeakPolarHBondContact O-CB 3.42Å; Q34-R38 PolarHBondContact O-N 3.28Å; R38-I41 PolarHBondContact O-N 3.44Å; R38-Q42 WeakPolarHBondContact O-CG 3.5Å; R38-Q42 PolarHBondContact O-N 2.94Å; R38-Q42 VanDerWaalsContact O-N 3.14Å
39R89.9Confident89.5Confident113 Ų113103.5 Ų103.543%0.42649%0.485SS..Hα-helixtrans-61.1-46.7176.1-86.3-178.4-74.7143.5-10.2112.4G35 H36 M37 I41 Q42 E43G35-R39 PolarHBondContact O-N 2.95Å; G35-R39 PolarHBondContact O-NE 2.98Å; H36-R39 PolarHBondContact CE1-NH2 3.13Å; H36-R39 PolarHBondContact ND1-NH1 3.47Å; H36-R39 PolarHBondContact ND1-NH2 3.48Å; H36-R39 PolarHBondContact O-N 3.44Å; M37-R39 VanDerWaalsContact C-N 3.33Å; M37-R39 PolarHBondContact O-N 3.28Å; R39-I41 VanDerWaalsContact C-N 3.28Å; R39-I41 PolarHBondContact O-N 3.35Å; R39-Q42 PolarHBondContact O-N 3.37Å; R39-Q42 VanDerWaalsContact O-N 3.16Å; R39-E43 WeakPolarHBondContact O-CB 3.3Å; R39-E43 VanDerWaalsContact O-CG 3.25Å; R39-E43 WeakPolarHBondContact O-CG 3.38Å; R39-E43 PolarHBondContact O-N 2.87Å
40R91.6Very high89.5Confident150 Ų150103.2 Ų103.257%0.56648%0.48SS*.Hα-helixtrans-59.5-39.2179.3-73.3-177.1-167.8-178.85.6112.9H36 M37 G44H36-R40 WeakPolarHBondContact O-CG 3.43Å; H36-R40 PolarHBondContact O-N 3.05Å; M37-R40 PolarHBondContact O-N 2.93Å; R40-G44 PolarHBondContact O-N 3.25Å
41I86.5Confident89.6Confident115 Ų115101.3 Ų101.359%0.5948%0.481SS*.Hα-helixtrans-65.4-45.1177.8-66.8167.7000110.2M37 R38 R39 G44 Y45M37-I41 HydrophobicContact CG-CD1 4.22Å; M37-I41 WeakPolarHBondContact O-CG1 3.32Å; M37-I41 PolarHBondContact O-N 3.3Å; M37-I41 VanDerWaalsContact O-N 3.11Å; R38-I41 PolarHBondContact O-N 3.44Å; R39-I41 VanDerWaalsContact C-N 3.28Å; R39-I41 PolarHBondContact O-N 3.35Å; I41-G44 PolarHBondContact O-N 2.97Å; I41-Y45 WeakPolarHBondContact O-CB 3.09Å; I41-Y45 PolarHBondContact O-N 2.9Å
42Q85.4Confident89.6Confident106 Ų10694.2 Ų94.250%0.49546%0.464SS..Hα-helixtrans-66.2-43.2178.6-69.6172.6-13.500112.4R38 R39 Y45 R46R38-Q42 WeakPolarHBondContact O-CG 3.5Å; R38-Q42 PolarHBondContact O-N 2.94Å; R38-Q42 VanDerWaalsContact O-N 3.14Å; R39-Q42 PolarHBondContact O-N 3.37Å; R39-Q42 VanDerWaalsContact O-N 3.16Å; Q42-Y45 PolarHBondContact O-N 3.37Å; Q42-R46 WeakPolarHBondContact O-CG 3.33Å; Q42-R46 PolarHBondContact O-N 2.87Å
43E87.8Confident89.4Confident100 Ų10093.7 Ų93.747%0.46746%0.46SS..Hα-helixtrans-60.2-49.3175.1-72.8164.2-174.800110.3R39 Y45 R46 D47R39-E43 WeakPolarHBondContact O-CB 3.3Å; R39-E43 VanDerWaalsContact O-CG 3.25Å; R39-E43 WeakPolarHBondContact O-CG 3.38Å; R39-E43 PolarHBondContact O-N 2.87Å; E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 3.28Å; E43-R46 PolarHBondContact O-N 3.28Å; E43-D47 WeakPolarHBondContact O-CB 3.32Å; E43-D47 VanDerWaalsContact O-CG 3.27Å; E43-D47 PolarHBondContact O-N 3.47Å
44G89.9Confident89.3Confident42 Ų4290.2 Ų90.243%0.43346%0.46SS..Hα-helixtrans-62.1-34.3178.100000113.6R40 I41 G48R40-G44 PolarHBondContact O-N 3.25Å; I41-G44 PolarHBondContact O-N 2.97Å; G44-G48 PolarHBondContact O-N 2.84Å
45Y86.7Confident89.3Confident110 Ų11089.1 Ų89.143%0.43146%0.46SS..Hα-helixtrans-68-46.8175.8-177.4-92.6000112.3I41 Q42 E43 D47 G48 I49 D138I41-Y45 WeakPolarHBondContact O-CB 3.09Å; I41-Y45 PolarHBondContact O-N 2.9Å; Q42-Y45 PolarHBondContact O-N 3.37Å; E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 3.28Å; Y45-D47 VanDerWaalsContact C-N 3.35Å; Y45-D47 PolarHBondContact O-N 3.28Å; Y45-G48 PolarHBondContact O-N 3.26Å; Y45-I49 HydrophobicContact CD1-CD1 4.14Å; Y45-I49 HydrophobicContact CE1-CD1 3.23Å; Y45-I49 HydrophobicContact CE1-CG1 3.86Å; Y45-I49 PolarHBondContact O-N 2.86Å; Y45-D138 HydrophobicContact CE1-CB 3.84Å; Y45-D138 WeakPolarHBondContact CE1-OD1 3.36Å; Y45-D138 WeakPolarHBondContact CE1-OD2 3.47Å; Y45-D138 PolarHBondContact OH-OD1 3.44Å; Y45-D138 PolarHBondContact OH-OD2 2.9Å
46R86.8Confident89.2Confident173 Ų17392.3 Ų92.365%0.65347%0.474SS*.Hα-helixtrans-61.3-44.6175.6-69.7177.269.4-167.80.9111.5Q42 E43 G48 I49 D50Q42-R46 WeakPolarHBondContact O-CG 3.33Å; Q42-R46 PolarHBondContact O-N 2.87Å; E43-R46 PolarHBondContact O-N 3.28Å; R46-G48 VanDerWaalsContact C-N 3.27Å; R46-G48 PolarHBondContact O-N 3.48Å; R46-I49 PolarHBondContact O-N 3.09Å; R46-D50 PolarHBondContact O-N 3.3Å
47D90.4Very high89.1Confident108 Ų10894.4 Ų94.458%0.57849%0.488SS*.Hα-helixtrans-60.3-39.1175.7-73.3-5.3000111.3E43 Y45 D50 A51E43-D47 WeakPolarHBondContact O-CB 3.32Å; E43-D47 VanDerWaalsContact O-CG 3.27Å; E43-D47 PolarHBondContact O-N 3.47Å; Y45-D47 VanDerWaalsContact C-N 3.35Å; Y45-D47 PolarHBondContact O-N 3.28Å; D47-D50 PolarHBondContact O-N 2.98Å; D47-A51 WeakPolarHBondContact O-CB 3.4Å; D47-A51 PolarHBondContact O-N 3.01Å
48G89.1Confident89.2Confident44 Ų4495.7 Ų95.745%0.45449%0.493SS..Hα-helixtrans-62.5-45.2175.300000113.2G44 Y45 R46 G52G44-G48 PolarHBondContact O-N 2.84Å; Y45-G48 PolarHBondContact O-N 3.26Å; R46-G48 VanDerWaalsContact C-N 3.27Å; R46-G48 PolarHBondContact O-N 3.48Å; G48-G52 PolarHBondContact O-N 3.47Å
49I86.2Confident89.4Confident43 Ų4393.7 Ų93.722%0.22149%0.49CS..Hα-helixtrans-60.8-48.6174.4-73.9-174.1000110.7Y45 R46 A51 G52 K53 D138Y45-I49 HydrophobicContact CD1-CD1 4.14Å; Y45-I49 HydrophobicContact CE1-CD1 3.23Å; Y45-I49 HydrophobicContact CE1-CG1 3.86Å; Y45-I49 PolarHBondContact O-N 2.86Å; R46-I49 PolarHBondContact O-N 3.09Å; I49-A51 VanDerWaalsContact C-N 3.34Å; I49-A51 PolarHBondContact O-N 3.33Å; I49-G52 PolarHBondContact O-N 3.34Å; I49-K53 HydrophobicContact CG2-CD 3.83Å; I49-K53 HydrophobicContact CG2-CG 4.35Å; I49-K53 VanDerWaalsContact CG2-NZ 3.34Å; I49-K53 WeakPolarHBondContact O-CG 3.43Å; I49-K53 PolarHBondContact O-N 3.47Å; I49-D138 WeakPolarHBondContact CD1-OD2 3.45Å
50D86.3Confident89.4Confident88 Ų8890.5 Ų90.547%0.47149%0.493SS..Hα-helixtrans-66.6-39.5-175.9-73.4-18.8000110.9R46 D47 K53 A54R46-D50 PolarHBondContact O-N 3.3Å; D47-D50 PolarHBondContact O-N 2.98Å; D50-K53 PolarHBondContact O-N 3.28Å; D50-A54 WeakPolarHBondContact O-CB 3.37Å; D50-A54 PolarHBondContact O-N 3Å
51A92.1Very high89.4Confident56 Ų5689.3 Ų89.346%0.46349%0.492SS..Hα-helixtrans-61.1-44.8171.600000111.8D47 I49 A54 V55D47-A51 WeakPolarHBondContact O-CB 3.4Å; D47-A51 PolarHBondContact O-N 3.01Å; I49-A51 VanDerWaalsContact C-N 3.34Å; I49-A51 PolarHBondContact O-N 3.33Å; A51-A54 PolarHBondContact O-N 2.96Å; A51-V55 WeakPolarHBondContact O-CG2 3.5Å; A51-V55 PolarHBondContact O-N 2.72Å
52G88.8Confident89.8Confident34 Ų3487.9 Ų87.935%0.35149%0.486SS..Hα-helixtrans-60.9-46.6176.700000112.6G48 I49 A54 V55 T56G48-G52 PolarHBondContact O-N 3.47Å; I49-G52 PolarHBondContact O-N 3.34Å; G52-A54 VanDerWaalsContact C-N 3.35Å; G52-A54 PolarHBondContact O-N 2.87Å; G52-V55 PolarHBondContact O-N 2.91Å; G52-T56 PolarHBondContact O-N 3.36Å; G52-T56 PolarHBondContact O-OG1 2.98Å; G52-T56 VanDerWaalsContact O-OG1 3.13Å
53K88.6Confident90.1Very high112 Ų11287.3 Ų87.349%0.48748%0.483SS..Hα-helixtrans-58.9-45.6175.3-74.5172.4179.8167.40111.5I49 D50 V55 T56 L57I49-K53 HydrophobicContact CG2-CD 3.83Å; I49-K53 HydrophobicContact CG2-CG 4.35Å; I49-K53 VanDerWaalsContact CG2-NZ 3.34Å; I49-K53 WeakPolarHBondContact O-CG 3.43Å; I49-K53 PolarHBondContact O-N 3.47Å; D50-K53 PolarHBondContact O-N 3.28Å; K53-V55 PolarHBondContact O-N 3.46Å; K53-T56 PolarHBondContact O-N 3.26Å; K53-L57 VanDerWaalsContact O-CB 3.23Å; K53-L57 WeakPolarHBondContact O-CB 3.49Å; K53-L57 PolarHBondContact O-N 2.99Å
54A90.6Very high90.2Very high61 Ų6184.5 Ų84.550%0.50448%0.481SS..Hα-helixtrans-61.7-44.1178.700000111.9D50 A51 G52 Q58D50-A54 WeakPolarHBondContact O-CB 3.37Å; D50-A54 PolarHBondContact O-N 3Å; A51-A54 PolarHBondContact O-N 2.96Å; G52-A54 VanDerWaalsContact C-N 3.35Å; G52-A54 PolarHBondContact O-N 2.87Å; A54-Q58 WeakPolarHBondContact O-CB 3.42Å; A54-Q58 PolarHBondContact O-N 2.87Å
55V93.2Very high90.3Very high79 Ų7990 Ų9048%0.47949%0.49SS..Hα-helixtrans-63.6-49.5178.1170.80000111.2A51 G52 K53 L57 Q58 Q59A51-V55 WeakPolarHBondContact O-CG2 3.5Å; A51-V55 PolarHBondContact O-N 2.72Å; G52-V55 PolarHBondContact O-N 2.91Å; K53-V55 PolarHBondContact O-N 3.46Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-L57 PolarHBondContact O-N 3.44Å; V55-Q58 PolarHBondContact O-N 2.93Å; V55-Q59 HydrophobicContact CG1-CG 4.43Å; V55-Q59 VanDerWaalsContact O-CG 3.31Å; V55-Q59 WeakPolarHBondContact O-CG 3.46Å; V55-Q59 PolarHBondContact O-N 3.32Å
56T89.3Confident90.6Very high94 Ų9490.9 Ų90.958%0.57750%0.496SS*.Hα-helixtrans-61.8-42.2179.7-60.30000111.6G52 K53 Q59 G60G52-T56 PolarHBondContact O-N 3.36Å; G52-T56 PolarHBondContact O-OG1 2.98Å; G52-T56 VanDerWaalsContact O-OG1 3.13Å; K53-T56 PolarHBondContact O-N 3.26Å; T56-Q59 PolarHBondContact O-N 2.91Å; T56-G60 PolarHBondContact O-N 3.49Å
57L91.1Very high90.7Very high126 Ų12686.7 Ų86.766%0.6648%0.484SS*.Hα-helixtrans-62.1-45.2176.1-176.1148.7000111.3K53 V55 Q59 G60 F61K53-L57 VanDerWaalsContact O-CB 3.23Å; K53-L57 WeakPolarHBondContact O-CB 3.49Å; K53-L57 PolarHBondContact O-N 2.99Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-L57 PolarHBondContact O-N 3.44Å; L57-Q59 VanDerWaalsContact C-N 3.34Å; L57-Q59 PolarHBondContact O-N 2.72Å; L57-G60 PolarHBondContact O-N 3.32Å; L57-F61 WeakPolarHBondContact O-CB 3.26Å; L57-F61 PolarHBondContact O-N 3.07Å
58Q94.4Very high90.7Very high92 Ų9282.6 Ų82.643%0.4347%0.467SS..Hα-helixtrans-65.2-38.5178.8-171.961.948.800111.9A54 V55 F61 N62A54-Q58 WeakPolarHBondContact O-CB 3.42Å; A54-Q58 PolarHBondContact O-N 2.87Å; V55-Q58 PolarHBondContact O-N 2.93Å; Q58-F61 PolarHBondContact O-N 3.37Å; Q58-N62 PolarHBondContact NE2-OD1 3.49Å; Q58-N62 WeakPolarHBondContact O-CB 3.41Å; Q58-N62 PolarHBondContact O-N 3.37Å; Q58-N62 PolarHBondContact O-ND2 3.03Å; Q58-N62 PolarHBondContact O-OD1 3.48Å
59Q91.9Very high90.9Very high121 Ų12181.5 Ų81.557%0.56545%0.453SS*.Hα-helixtrans-62.9-46174.8-73.4174.1-0.400111.4V55 T56 L57 F61 N62 Q63V55-Q59 HydrophobicContact CG1-CG 4.43Å; V55-Q59 VanDerWaalsContact O-CG 3.31Å; V55-Q59 WeakPolarHBondContact O-CG 3.46Å; V55-Q59 PolarHBondContact O-N 3.32Å; T56-Q59 PolarHBondContact O-N 2.91Å; L57-Q59 VanDerWaalsContact C-N 3.34Å; L57-Q59 PolarHBondContact O-N 2.72Å; Q59-F61 VanDerWaalsContact C-N 3.33Å; Q59-F61 PolarHBondContact O-N 2.91Å; Q59-N62 PolarHBondContact O-N 2.96Å; Q59-Q63 WeakPolarHBondContact O-CB 3.33Å; Q59-Q63 PolarHBondContact O-N 3.36Å
60G90.8Very high91Very high47 Ų4785.8 Ų85.849%0.48547%0.472SS..Hα-helixtrans-59.9-42.6174.600000112.4T56 L57 Q63 G64T56-G60 PolarHBondContact O-N 3.49Å; L57-G60 PolarHBondContact O-N 3.32Å; G60-Q63 PolarHBondContact O-N 2.82Å; G60-G64 PolarHBondContact O-N 3.43Å
61F92.1Very high91Very high124 Ų12483.8 Ų83.854%0.54446%0.464SS..Hα-helixtrans-62.2-48.6174.5177.9-91.1000112L57 Q58 Q59 Q63 G64 Y65L57-F61 WeakPolarHBondContact O-CB 3.26Å; L57-F61 PolarHBondContact O-N 3.07Å; Q58-F61 PolarHBondContact O-N 3.37Å; Q59-F61 VanDerWaalsContact C-N 3.33Å; Q59-F61 PolarHBondContact O-N 2.91Å; F61-Q63 VanDerWaalsContact C-N 3.3Å; F61-Q63 PolarHBondContact O-N 3.26Å; F61-G64 PolarHBondContact O-N 3.24Å; F61-Y65 WeakPolarHBondContact O-CB 3.37Å; F61-Y65 PolarHBondContact O-N 3.47Å
62N94.4Very high90.9Very high85 Ų8583.7 Ų83.746%0.45546%0.455SS..Hα-helixtrans-60.4-42.1-179.5-71.3-11.1000111.4Q58 Q59 K66Q58-N62 PolarHBondContact NE2-OD1 3.49Å; Q58-N62 WeakPolarHBondContact O-CB 3.41Å; Q58-N62 PolarHBondContact O-N 3.37Å; Q58-N62 PolarHBondContact O-ND2 3.03Å; Q58-N62 PolarHBondContact O-OD1 3.48Å; Q59-N62 PolarHBondContact O-N 2.96Å; N62-K66 WeakPolarHBondContact O-CB 3.46Å; N62-K66 PolarHBondContact O-N 3.32Å
63Q90.8Very high91.1Very high95 Ų9587.1 Ų87.144%0.44446%0.464SS..Hα-helixtrans-66.1-49.8177.7-174.860.127.900111.3Q59 G60 F61 Y65 K66 E67Q59-Q63 WeakPolarHBondContact O-CB 3.33Å; Q59-Q63 PolarHBondContact O-N 3.36Å; G60-Q63 PolarHBondContact O-N 2.82Å; F61-Q63 VanDerWaalsContact C-N 3.3Å; F61-Q63 PolarHBondContact O-N 3.26Å; Q63-Y65 VanDerWaalsContact C-N 3.29Å; Q63-Y65 PolarHBondContact O-N 2.98Å; Q63-K66 PolarHBondContact O-N 2.92Å; Q63-E67 PolarHBondContact NE2-OE1 3.05Å; Q63-E67 WeakPolarHBondContact O-CG 3.45Å; Q63-E67 PolarHBondContact O-N 3.26Å
64G90.5Very high91.1Very high41 Ų4184.2 Ų84.242%0.42345%0.454SS..Hα-helixtrans-62.3-36.7177.600000112.8G60 F61 G68G60-G64 PolarHBondContact O-N 3.43Å; F61-G64 PolarHBondContact O-N 3.24Å; G64-G68 PolarHBondContact O-N 3.21Å
65Y92.3Very high91.1Very high157 Ų15782.2 Ų82.262%0.61643%0.433SS*.Hα-helixtrans-63.4-46.8173.5178.7-94.6000111.2F61 Q63 A69F61-Y65 WeakPolarHBondContact O-CB 3.37Å; F61-Y65 PolarHBondContact O-N 3.47Å; Q63-Y65 VanDerWaalsContact C-N 3.29Å; Q63-Y65 PolarHBondContact O-N 2.98Å; Y65-A69 HydrophobicContact CE1-CB 4.36Å; Y65-A69 WeakPolarHBondContact O-CB 3.46Å; Y65-A69 PolarHBondContact O-N 3.4Å
66K92.5Very high91Very high129 Ų12980.3 Ų80.356%0.56143%0.43SS*.Hα-helixtrans-60-51.7178.9-176.7-176.2175.3-172.90111.5N62 Q63 A69 E70N62-K66 WeakPolarHBondContact O-CB 3.46Å; N62-K66 PolarHBondContact O-N 3.32Å; Q63-K66 PolarHBondContact O-N 2.92Å; K66-A69 PolarHBondContact O-N 3.24Å; K66-E70 VanDerWaalsContact O-CB 3.31Å; K66-E70 WeakPolarHBondContact O-CB 3.29Å; K66-E70 PolarHBondContact O-N 2.93Å
67E89.8Confident91.1Very high85 Ų8578.6 Ų78.640%0.39742%0.417SS..Hα-helixtrans-63.1-44.6-179.8-68.8175.8-172.400111.9Q63 V71Q63-E67 PolarHBondContact NE2-OE1 3.05Å; Q63-E67 WeakPolarHBondContact O-CG 3.45Å; Q63-E67 PolarHBondContact O-N 3.26Å; E67-V71 VanDerWaalsContact O-CG2 3.32Å; E67-V71 WeakPolarHBondContact O-CG2 3.33Å; E67-V71 PolarHBondContact O-N 3.48Å
68G91Very high91.1Very high22 Ų2272.6 Ų72.623%0.22739%0.385CS..Hα-helixtrans-65.7-43.9178.200000112.5G64 V71 I72G64-G68 PolarHBondContact O-N 3.21Å; G68-V71 PolarHBondContact O-N 3.33Å; G68-I72 VanDerWaalsContact O-CB 3.3Å; G68-I72 WeakPolarHBondContact O-CB 3.36Å; G68-I72 VanDerWaalsContact O-CG2 3.32Å; G68-I72 WeakPolarHBondContact O-CG2 3.31Å; G68-I72 PolarHBondContact O-N 3.09Å
69A91.7Very high91Very high20 Ų2072.5 Ų72.517%0.16538%0.381CS..Hα-helixtrans-65.4-46.7-179.600000111.9Y65 K66 V71 I72 I73Y65-A69 HydrophobicContact CE1-CB 4.36Å; Y65-A69 WeakPolarHBondContact O-CB 3.46Å; Y65-A69 PolarHBondContact O-N 3.4Å; K66-A69 PolarHBondContact O-N 3.24Å; A69-V71 PolarHBondContact O-N 3.26Å; A69-I72 PolarHBondContact O-N 3.32Å; A69-I73 WeakPolarHBondContact O-CB 3.45Å; A69-I73 WeakPolarHBondContact O-CD1 3.35Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.11Å; A69-I73 VanDerWaalsContact O-N 3.11Å
70E88.3Confident91Very high133 Ų13368.6 Ų68.662%0.62137%0.374SS*.Hα-helixtrans-55.3-41.7179.1-178.1172.4-174.100111.4K66K66-E70 VanDerWaalsContact O-CB 3.31Å; K66-E70 WeakPolarHBondContact O-CB 3.29Å; K66-E70 PolarHBondContact O-N 2.93Å
71V87.5Confident91Very high47 Ų4767.2 Ų67.229%0.28536%0.356SS..Hα-helixtrans-76.6-45.6-179.61750000112.1E67 G68 A69 Y75 V116 L120E67-V71 VanDerWaalsContact O-CG2 3.32Å; E67-V71 WeakPolarHBondContact O-CG2 3.33Å; E67-V71 PolarHBondContact O-N 3.48Å; G68-V71 PolarHBondContact O-N 3.33Å; A69-V71 PolarHBondContact O-N 3.26Å; V71-Y75 HydrophobicContact CG1-CD2 4.36Å; V71-Y75 HydrophobicContact CG1-CE2 3.93Å; V71-Y75 WeakPolarHBondContact O-CD2 3.46Å; V71-V116 HydrophobicContact CG1-CG1 3.33Å; V71-L120 HydrophobicContact CB-CD1 4.42Å; V71-L120 HydrophobicContact CG1-CD1 4.38Å
72I90.4Very high91Very high53 Ų5361.3 Ų61.327%0.27233%0.33SS..Hα-helixtrans-75.3-28.1-170.1-154.862.1000113.7G68 A69 N74 Y75 G76 E113 L117G68-I72 VanDerWaalsContact O-CB 3.3Å; G68-I72 WeakPolarHBondContact O-CB 3.36Å; G68-I72 VanDerWaalsContact O-CG2 3.32Å; G68-I72 WeakPolarHBondContact O-CG2 3.31Å; G68-I72 PolarHBondContact O-N 3.09Å; A69-I72 PolarHBondContact O-N 3.32Å; I72-N74 VanDerWaalsContact C-N 3.27Å; I72-N74 PolarHBondContact O-N 3.04Å; I72-Y75 PolarHBondContact O-N 2.93Å; I72-G76 PolarHBondContact O-N 3.23Å; I72-E113 HydrophobicContact CD1-CG 3.56Å; I72-E113 VanDerWaalsContact CD1-OE1 3.3Å; I72-E113 WeakPolarHBondContact CD1-OE1 3.4Å; I72-L117 HydrophobicContact CD1-CD1 4.35Å; I72-L117 HydrophobicContact CD1-CD2 4.17Å; I72-L117 HydrophobicContact CD1-CG 4.37Å
73I91.1Very high90.9Very high107 Ų10759.6 Ų59.655%0.54933%0.325SS..Hα-helixtrans-57.1-43.4-180-76.4166.5000110.7A69 Y75 G76 L77A69-I73 WeakPolarHBondContact O-CB 3.45Å; A69-I73 WeakPolarHBondContact O-CD1 3.35Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.11Å; A69-I73 VanDerWaalsContact O-N 3.11Å; I73-Y75 PolarHBondContact O-N 2.63Å; I73-G76 PolarHBondContact O-N 2.84Å; I73-L77 WeakPolarHBondContact O-CB 3.32Å; I73-L77 PolarHBondContact O-N 3.37Å
74N89.5Confident90.9Very high51 Ų5158 Ų5827%0.27333%0.328SS..Hα-helixtrans-65.6-42-178-70.1-1.9000111.9I72 L77 L78 L225I72-N74 VanDerWaalsContact C-N 3.27Å; I72-N74 PolarHBondContact O-N 3.04Å; N74-L77 PolarHBondContact O-N 3.47Å; N74-L78 WeakPolarHBondContact O-CB 3.46Å; N74-L78 PolarHBondContact O-N 2.98Å; N74-L225 HydrophobicContact CB-CD2 3.74Å; N74-L225 PolarHBondContact ND2-O 3.45Å; N74-L225 WeakPolarHBondContact OD1-CD2 3.41Å
75Y90.9Very high90.8Very high18 Ų1856.4 Ų56.47%0.07131%0.309CS..Hα-helixtrans-65.6-40174.7-68.8-76.6000112.2V71 I72 I73 L78 R79 V109 C112 E113 V116 L198V71-Y75 HydrophobicContact CG1-CD2 4.36Å; V71-Y75 HydrophobicContact CG1-CE2 3.93Å; V71-Y75 WeakPolarHBondContact O-CD2 3.46Å; I72-Y75 PolarHBondContact O-N 2.93Å; I73-Y75 PolarHBondContact O-N 2.63Å; Y75-L78 PolarHBondContact O-N 3.45Å; Y75-R79 WeakPolarHBondContact O-CB 3.17Å; Y75-R79 PolarHBondContact O-N 3.5Å; Y75-V109 HydrophobicContact CD1-CG1 4.3Å; Y75-C112 HydrophobicContact CD1-CB 4.48Å; Y75-C112 HydrophobicContact CE1-CB 3.71Å; Y75-E113 HydrophobicContact CD1-CB 4.34Å; Y75-E113 HydrophobicContact CG-CB 4.34Å; Y75-V116 HydrophobicContact CE2-CG2 4.46Å; Y75-L198 HydrophobicContact CD1-CD1 4.18Å; Y75-L198 HydrophobicContact CE1-CB 4.46Å; Y75-L198 HydrophobicContact CE1-CD1 3.78Å
76G91.7Very high90.7Very high40 Ų4050.1 Ų50.141%0.41229%0.286SS..Hα-helixtrans-61.8-45.3175.900000112.3I72 I73 R79 G80I72-G76 PolarHBondContact O-N 3.23Å; I73-G76 PolarHBondContact O-N 2.84Å; G76-R79 PolarHBondContact O-N 3.01Å; G76-G80 PolarHBondContact O-N 3.36Å
77L90.4Very high90.6Very high57 Ų5747.9 Ų47.930%0.29829%0.287SS..Hα-helixtrans-66.7-40.6178.4-179.557.9000112.2I73 N74 G80 T81 H221 L225I73-L77 WeakPolarHBondContact O-CB 3.32Å; I73-L77 PolarHBondContact O-N 3.37Å; N74-L77 PolarHBondContact O-N 3.47Å; L77-G80 PolarHBondContact O-N 2.86Å; L77-T81 WeakPolarHBondContact O-CB 3.3Å; L77-T81 PolarHBondContact O-N 3.23Å; L77-T81 PolarHBondContact O-OG1 3.27Å; L77-H221 VanDerWaalsContact CD1-NE2 3.32Å; L77-H221 WeakPolarHBondContact CD1-NE2 3.28Å; L77-H221 WeakPolarHBondContact CD2-NE2 3.49Å; L77-L225 HydrophobicContact CB-CD1 4.5Å; L77-L225 HydrophobicContact CB-CD2 4.11Å; L77-L225 HydrophobicContact CD2-CD1 3.91Å; L77-L225 HydrophobicContact CD2-CD2 3.51Å; L77-L225 HydrophobicContact CD2-CG 3.81Å; L77-L225 HydrophobicContact CG-CD1 4.06Å; L77-L225 HydrophobicContact CG-CD2 4.16Å; L77-L225 HydrophobicContact CG-CG 4.47Å
78L90.1Very high90.5Very high0 Ų047.6 Ų47.60%028%0.282CS..Hα-helixtrans-63.4-44.4175.8-175.955.6000111.8N74 Y75 G80 T81 L82 V109 L198 I201 L202 T205 L222N74-L78 WeakPolarHBondContact O-CB 3.46Å; N74-L78 PolarHBondContact O-N 2.98Å; Y75-L78 PolarHBondContact O-N 3.45Å; L78-G80 VanDerWaalsContact C-N 3.34Å; L78-G80 PolarHBondContact O-N 2.94Å; L78-T81 PolarHBondContact O-N 3.11Å; L78-L82 HydrophobicContact CD1-CD1 4.42Å; L78-L82 HydrophobicContact CG-CD1 4.33Å; L78-L82 WeakPolarHBondContact O-CG 3.48Å; L78-L82 PolarHBondContact O-N 3.29Å; L78-V109 HydrophobicContact CD2-CG2 3.78Å; L78-V109 HydrophobicContact CG-CG2 3.95Å; L78-L198 HydrophobicContact CD2-CD1 3.73Å; L78-I201 HydrophobicContact CD2-CB 4.3Å; L78-I201 HydrophobicContact CD2-CG2 3.71Å; L78-I201 HydrophobicContact CG-CG2 4.4Å; L78-L202 HydrophobicContact CD1-CD2 3.97Å; L78-L202 HydrophobicContact CD2-CD2 4.26Å; L78-T205 HydrophobicContact CD1-CG2 4.19Å; L78-L222 HydrophobicContact CD1-CD2 4.01Å
79R92.9Very high90.3Very high90 Ų9046.6 Ų46.634%0.3427%0.272SS..Hα-helixtrans-61.9-42174.4-178179.5-79.7149.32.1111.5Y75 G76 S83 L106 V109 E113Y75-R79 WeakPolarHBondContact O-CB 3.17Å; Y75-R79 PolarHBondContact O-N 3.5Å; G76-R79 PolarHBondContact O-N 3.01Å; R79-S83 VanDerWaalsContact O-CB 3.29Å; R79-S83 WeakPolarHBondContact O-CB 3.05Å; R79-S83 PolarHBondContact O-N 3.45Å; R79-S83 PolarHBondContact O-OG 2.98Å; R79-L106 HydrophobicContact CG-CD2 3.88Å; R79-V109 HydrophobicContact CB-CG1 4.35Å; R79-E113 IonicContact CZ-OE2 2.63Å; R79-E113 IonicContact NH1-OE1 3.08Å; R79-E113 IonicContact NH1-OE2 2.66Å; R79-E113 PolarHBondContact NH1-OE2 3.47Å; R79-E113 IonicContact NH2-OE2 2.84Å; R79-E113 PolarHBondContact NH2-OE2 2.86Å
80G92.6Very high90.1Very high40 Ų4051.3 Ų51.341%0.41229%0.29SS..Hα-helixtrans-61.7-44.4175.800000112.2G76 L77 L78 S83 A84G76-G80 PolarHBondContact O-N 3.36Å; L77-G80 PolarHBondContact O-N 2.86Å; L78-G80 VanDerWaalsContact C-N 3.34Å; L78-G80 PolarHBondContact O-N 2.94Å; G80-S83 PolarHBondContact O-N 3.45Å; G80-A84 WeakPolarHBondContact O-CB 3.3Å; G80-A84 PolarHBondContact O-N 3.48Å
81T90.5Very high90Very high18 Ų1851.9 Ų51.911%0.1130%0.297CS..Hα-helixtrans-62.9-48.9177.3-56.60000111.5L77 L78 S83 A84 L85 V218 L222L77-T81 WeakPolarHBondContact O-CB 3.3Å; L77-T81 PolarHBondContact O-N 3.23Å; L77-T81 PolarHBondContact O-OG1 3.27Å; L78-T81 PolarHBondContact O-N 3.11Å; T81-S83 VanDerWaalsContact C-N 3.33Å; T81-S83 PolarHBondContact O-N 2.85Å; T81-A84 PolarHBondContact O-N 3.36Å; T81-L85 HydrophobicContact CG2-CD1 4.27Å; T81-L85 WeakPolarHBondContact O-CG 3.41Å; T81-L85 PolarHBondContact O-N 2.78Å; T81-V218 HydrophobicContact CG2-CG1 3.94Å; T81-L222 HydrophobicContact CG2-CD2 4.25Å
82L91.4Very high89.7Confident0 Ų054.6 Ų54.60%031%0.306CS..Hα-helixtrans-62.6-39.1177.2-74.6169.4000112.2L78 L85 L86 I102 L105 L106 V109 T205L78-L82 HydrophobicContact CD1-CD1 4.42Å; L78-L82 HydrophobicContact CG-CD1 4.33Å; L78-L82 WeakPolarHBondContact O-CG 3.48Å; L78-L82 PolarHBondContact O-N 3.29Å; L82-L85 PolarHBondContact O-N 2.95Å; L82-L86 WeakPolarHBondContact O-CB 3.2Å; L82-L86 PolarHBondContact O-N 3.12Å; L82-I102 HydrophobicContact CB-CG2 4.41Å; L82-I102 HydrophobicContact CD2-CG2 4.35Å; L82-I102 WeakPolarHBondContact O-CG2 3.37Å; L82-L105 HydrophobicContact CD1-CB 3.97Å; L82-L105 HydrophobicContact CD2-CB 4.14Å; L82-L105 HydrophobicContact CD2-CD1 4.07Å; L82-L106 HydrophobicContact CB-CD2 3.64Å; L82-L106 HydrophobicContact CB-CG 3.88Å; L82-L106 HydrophobicContact CD1-CD2 4.23Å; L82-L106 HydrophobicContact CD1-CG 4.33Å; L82-V109 HydrophobicContact CD1-CG2 3.84Å; L82-T205 HydrophobicContact CD2-CG2 3.78Å; L82-T205 HydrophobicContact CG-CG2 4.27Å
83S92.7Very high89.1Confident49 Ų4955.3 Ų55.334%0.34333%0.326SS..Hα-helixtrans-65.2-41.5175.9-58.20000111.9R79 G80 T81 L86 S87R79-S83 VanDerWaalsContact O-CB 3.29Å; R79-S83 WeakPolarHBondContact O-CB 3.05Å; R79-S83 PolarHBondContact O-N 3.45Å; R79-S83 PolarHBondContact O-OG 2.98Å; G80-S83 PolarHBondContact O-N 3.45Å; T81-S83 VanDerWaalsContact C-N 3.33Å; T81-S83 PolarHBondContact O-N 2.85Å; S83-L86 WeakPolarHBondContact O-CB 3.31Å; S83-L86 PolarHBondContact O-N 2.95Å; S83-S87 PolarHBondContact O-N 3.17Å; S83-S87 PolarHBondContact O-OG 3.42Å
84A90.9Very high88.5Confident61 Ų6152.4 Ų52.450%0.50431%0.312SS..Hα-helixtrans-64.2-41.9174.900000111.8G80 T81 L86 S87 W88G80-A84 WeakPolarHBondContact O-CB 3.3Å; G80-A84 PolarHBondContact O-N 3.48Å; T81-A84 PolarHBondContact O-N 3.36Å; A84-L86 VanDerWaalsContact C-N 3.34Å; A84-S87 PolarHBondContact O-N 2.96Å; A84-W88 WeakPolarHBondContact O-CB 3.5Å; A84-W88 PolarHBondContact O-N 2.82Å
85L88Confident88Confident7 Ų752.6 Ų52.64%0.03732%0.317CS..Hα-helixtrans-63-39.6173.9-70.3170.8000111.8T81 L82 W88 C89 I102 T205 V209 L212 V214T81-L85 HydrophobicContact CG2-CD1 4.27Å; T81-L85 WeakPolarHBondContact O-CG 3.41Å; T81-L85 PolarHBondContact O-N 2.78Å; L82-L85 PolarHBondContact O-N 2.95Å; L85-W88 PolarHBondContact O-N 2.91Å; L85-C89 WeakPolarHBondContact O-CB 3.32Å; L85-C89 PolarHBondContact O-N 3.41Å; L85-C89 PolarHBondContact O-SG 3.49Å; L85-I102 HydrophobicContact CB-CD1 4.29Å; L85-T205 HydrophobicContact CD1-CG2 4.33Å; L85-V209 HydrophobicContact CD1-CG2 3.62Å; L85-V209 HydrophobicContact CD2-CG2 4.18Å; L85-L212 HydrophobicContact CD2-CD1 4.26Å; L85-V214 HydrophobicContact CD2-CG1 4.48Å; L85-V214 HydrophobicContact CD2-CG2 4.2Å
86L90.4Very high87.7Confident26 Ų2656.6 Ų56.614%0.13635%0.348CS..Hα-helixtrans-61.2-48.1175.6-175.361.8000111.1L82 S83 A84 W88 C89 H90 V99 I102 L106L82-L86 WeakPolarHBondContact O-CB 3.2Å; L82-L86 PolarHBondContact O-N 3.12Å; S83-L86 WeakPolarHBondContact O-CB 3.31Å; S83-L86 PolarHBondContact O-N 2.95Å; A84-L86 VanDerWaalsContact C-N 3.34Å; L86-W88 VanDerWaalsContact C-N 3.34Å; L86-W88 PolarHBondContact O-N 2.89Å; L86-C89 WeakPolarHBondContact O-CB 3.46Å; L86-C89 PolarHBondContact O-N 3.45Å; L86-H90 PolarHBondContact O-N 3.28Å; L86-V99 HydrophobicContact CD1-CG1 3.86Å; L86-I102 HydrophobicContact CB-CG2 3.84Å; L86-I102 HydrophobicContact CD1-CB 4.32Å; L86-I102 HydrophobicContact CD1-CG2 4.14Å; L86-I102 HydrophobicContact CG-CG2 4.46Å; L86-L106 HydrophobicContact CD2-CD1 4.11Å
87S90.3Very high87.5Confident82 Ų8258.8 Ų58.857%0.57335%0.354SS*.Hα-helixtrans-61-42.5175.8-62.30000112.1S83 A84 C89 H90 L91S83-S87 PolarHBondContact O-N 3.17Å; S83-S87 PolarHBondContact O-OG 3.42Å; A84-S87 PolarHBondContact O-N 2.96Å; S87-C89 VanDerWaalsContact C-N 3.31Å; S87-C89 PolarHBondContact O-N 2.92Å; S87-H90 PolarHBondContact O-N 2.99Å; S87-L91 PolarHBondContact O-N 3.46Å; S87-L91 VanDerWaalsContact O-N 3.16Å
88W87.4Confident87.2Confident79 Ų7957.3 Ų57.330%0.29935%0.346SS..Hα-helixtrans-60.2-42.5175-17688.7000111.5A84 L85 L86 L91 H92 N94 L212 V214A84-W88 WeakPolarHBondContact O-CB 3.5Å; A84-W88 PolarHBondContact O-N 2.82Å; L85-W88 PolarHBondContact O-N 2.91Å; L86-W88 VanDerWaalsContact C-N 3.34Å; L86-W88 PolarHBondContact O-N 2.89Å; W88-L91 PolarHBondContact O-N 3.11Å; W88-H92 AromaticContact CD1-CE1 3.41Å; W88-H92 VanDerWaalsContact CD1-CE1 3.41Å; W88-H92 AromaticContact CD1-ND1 3.65Å; W88-H92 AromaticContact CD2-ND1 3.73Å; W88-H92 AromaticContact CE2-CE1 3.52Å; W88-H92 AromaticContact CE2-CG 3.81Å; W88-H92 AromaticContact CE2-ND1 3.48Å; W88-H92 AromaticContact CE2-NE2 3.84Å; W88-H92 AromaticContact CG-ND1 3.82Å; W88-H92 AromaticContact CZ2-CD2 3.84Å; W88-H92 AromaticContact CZ2-CG 3.86Å; W88-H92 AromaticContact NE1-CE1 3.05Å; W88-H92 PolarHBondContact NE1-CE1 2.71Å; W88-H92 AromaticContact NE1-ND1 3.44Å; W88-H92 PolarHBondContact NE1-ND1 2.96Å; W88-H92 AromaticContact NE1-NE2 3.52Å; W88-H92 PolarHBondContact O-N 3.02Å; W88-H92 VanDerWaalsContact O-N 3.08Å; W88-H92 PolarHBondContact O-ND1 3.5Å; W88-N94 VanDerWaalsContact CE3-ND2 3.31Å; W88-N94 WeakPolarHBondContact CZ3-ND2 3.4Å; W88-L212 HydrophobicContact CE3-CD2 4.03Å; W88-L212 HydrophobicContact CH2-CB 4.42Å; W88-L212 WeakPolarHBondContact CH2-O 3.47Å; W88-L212 HydrophobicContact CZ3-CB 3.86Å; W88-L212 HydrophobicContact CZ3-CD2 3.5Å; W88-L212 HydrophobicContact CZ3-CG 4.26Å; W88-V214 HydrophobicContact CD2-CG2 4.29Å; W88-V214 HydrophobicContact CE3-CG2 4.26Å; W88-V214 HydrophobicContact CH2-CG2 4.3Å; W88-V214 HydrophobicContact CZ2-CG2 4.32Å; W88-V214 HydrophobicContact CZ3-CG2 4.24Å
89C87.3Confident87.1Confident1 Ų158.4 Ų58.41%0.00735%0.352CS..Hα-helixtrans-62.4-42.4177.5-770000113.7L85 L86 S87 L91 H92 G93 N94 V99 I102 L212L85-C89 WeakPolarHBondContact O-CB 3.32Å; L85-C89 PolarHBondContact O-N 3.41Å; L85-C89 PolarHBondContact O-SG 3.49Å; L86-C89 WeakPolarHBondContact O-CB 3.46Å; L86-C89 PolarHBondContact O-N 3.45Å; S87-C89 VanDerWaalsContact C-N 3.31Å; S87-C89 PolarHBondContact O-N 2.92Å; C89-L91 VanDerWaalsContact C-N 3.3Å; C89-L91 PolarHBondContact O-N 3.34Å; C89-H92 PolarHBondContact O-N 2.99Å; C89-G93 PolarHBondContact O-N 3.17Å; C89-N94 WeakPolarHBondContact CA-ND2 3.31Å; C89-N94 HydrophobicContact CB-CB 4.05Å; C89-N94 PolarHBondContact O-N 3.37Å; C89-N94 VanDerWaalsContact O-N 3.13Å; C89-V99 HydrophobicContact CB-CG2 4.14Å; C89-I102 HydrophobicContact CB-CD1 4.49Å; C89-L212 WeakPolarHBondContact SG-CD2 3.41Å
90H87.7Confident87Confident119 Ų11956.8 Ų56.855%0.55136%0.355SS*.Hα-helixtrans-63.9-36.6176.1-67.9158.5000112.1L86 S87 V99L86-H90 PolarHBondContact O-N 3.28Å; S87-H90 PolarHBondContact O-N 2.99Å; H90-V99 WeakPolarHBondContact NE2-CG1 3.38Å
91L85.8Confident86.9Confident145 Ų14559.7 Ų59.776%0.75936%0.356SS*.Hα-helixtrans-72-36.2-180-171.467.1000113S87 W88 C89 G93S87-L91 PolarHBondContact O-N 3.46Å; S87-L91 VanDerWaalsContact O-N 3.16Å; W88-L91 PolarHBondContact O-N 3.11Å; C89-L91 VanDerWaalsContact C-N 3.3Å; C89-L91 PolarHBondContact O-N 3.34Å; L91-G93 VanDerWaalsContact C-N 3.35Å
92H81.6Confident86.9Confident103 Ų10358.8 Ų58.848%0.47735%0.351SS..THydrogen-bonded Turntrans-90.85-175.6-67.773.2000113.6W88 C89 N94W88-H92 AromaticContact CD1-CE1 3.41Å; W88-H92 VanDerWaalsContact CD1-CE1 3.41Å; W88-H92 AromaticContact CD1-ND1 3.65Å; W88-H92 AromaticContact CD2-ND1 3.73Å; W88-H92 AromaticContact CE2-CE1 3.52Å; W88-H92 AromaticContact CE2-CG 3.81Å; W88-H92 AromaticContact CE2-ND1 3.48Å; W88-H92 AromaticContact CE2-NE2 3.84Å; W88-H92 AromaticContact CG-ND1 3.82Å; W88-H92 AromaticContact CZ2-CD2 3.84Å; W88-H92 AromaticContact CZ2-CG 3.86Å; W88-H92 AromaticContact NE1-CE1 3.05Å; W88-H92 PolarHBondContact NE1-CE1 2.71Å; W88-H92 AromaticContact NE1-ND1 3.44Å; W88-H92 PolarHBondContact NE1-ND1 2.96Å; W88-H92 AromaticContact NE1-NE2 3.52Å; W88-H92 PolarHBondContact O-N 3.02Å; W88-H92 VanDerWaalsContact O-N 3.08Å; W88-H92 PolarHBondContact O-ND1 3.5Å; C89-H92 PolarHBondContact O-N 2.99Å; H92-N94 PolarHBondContact O-N 3.39Å
93G77.7Confident87Confident68 Ų6861.8 Ų61.870%0.70137%0.367SS*.THydrogen-bonded Turntrans63.530.4-179.400000113.1C89 L91C89-G93 PolarHBondContact O-N 3.17Å; L91-G93 VanDerWaalsContact C-N 3.35Å
94N78.6Confident87Confident47 Ų4764.5 Ų64.525%0.25138%0.377SS..  trans-64.1157.8-179.5-74.2-39.5000111.7W88 C89 H92 S96 L98W88-N94 VanDerWaalsContact CE3-ND2 3.31Å; W88-N94 WeakPolarHBondContact CZ3-ND2 3.4Å; C89-N94 WeakPolarHBondContact CA-ND2 3.31Å; C89-N94 HydrophobicContact CB-CB 4.05Å; C89-N94 PolarHBondContact O-N 3.37Å; C89-N94 VanDerWaalsContact O-N 3.13Å; H92-N94 PolarHBondContact O-N 3.39Å; N94-S96 PolarHBondContact O-N 3.35Å; N94-L98 HydrophobicContact CB-CD1 4.35Å
95S79.9Confident87.1Confident55 Ų5562.1 Ų62.139%0.38536%0.356SS..  trans-57.6139.8-173.464.80000112.4T97 L98 V99S95-T97 WeakPolarHBondContact CB-OG1 3.22Å; S95-T97 PolarHBondContact O-N 2.95Å; S95-T97 PolarHBondContact OG-OG1 2.9Å; S95-L98 WeakPolarHBondContact O-CB 3.34Å; S95-L98 PolarHBondContact O-N 3.35Å; S95-L98 WeakPolarHBondContact OG-CG 3.37Å; S95-V99 PolarHBondContact O-N 2.94Å
96S84.3Confident87.4Confident102 Ų10263 Ų6371%0.71336%0.361SS*.Hα-helixtrans-51.8-28.6173.8175.70000112.6N94 V99 S100N94-S96 PolarHBondContact O-N 3.35Å; S96-V99 PolarHBondContact O-N 3.32Å; S96-S100 PolarHBondContact O-N 3.47Å; S96-S100 PolarHBondContact O-OG 3.24Å
97T86.3Confident87.6Confident86 Ų8666.4 Ų66.453%0.52838%0.379SS..Hα-helixtrans-67.9-31.1174.557.20000114.5S95 S100 K101S95-T97 WeakPolarHBondContact CB-OG1 3.22Å; S95-T97 PolarHBondContact O-N 2.95Å; S95-T97 PolarHBondContact OG-OG1 2.9Å; T97-S100 PolarHBondContact O-OG 3.3Å; T97-S100 VanDerWaalsContact O-OG 3.09Å; T97-K101 VanDerWaalsContact O-CG 3.26Å; T97-K101 WeakPolarHBondContact O-CG 3.46Å; T97-K101 PolarHBondContact O-N 2.85Å
98L85.2Confident87.7Confident26 Ų2663 Ų6314%0.13636%0.355CS..Hα-helixtrans-77.4-41.1175-75168.4000110.4N94 S95 S100 K101 I102 L208 L212N94-L98 HydrophobicContact CB-CD1 4.35Å; S95-L98 WeakPolarHBondContact O-CB 3.34Å; S95-L98 PolarHBondContact O-N 3.35Å; S95-L98 WeakPolarHBondContact OG-CG 3.37Å; L98-S100 VanDerWaalsContact C-N 3.35Å; L98-S100 PolarHBondContact O-N 3.46Å; L98-K101 WeakPolarHBondContact O-CB 3.47Å; L98-K101 PolarHBondContact O-N 3.37Å; L98-I102 WeakPolarHBondContact O-CG1 3.38Å; L98-I102 PolarHBondContact O-N 2.88Å; L98-L208 HydrophobicContact CD2-CD2 3.78Å; L98-L212 HydrophobicContact CD1-CD2 4.03Å
99V88.4Confident88Confident23 Ų2359.2 Ų59.214%0.13934%0.341CS..Hα-helixtrans-59.1-46175.21730000110.7L86 C89 H90 S95 S96 K101 I102 N103L86-V99 HydrophobicContact CD1-CG1 3.86Å; C89-V99 HydrophobicContact CB-CG2 4.14Å; H90-V99 WeakPolarHBondContact NE2-CG1 3.38Å; S95-V99 PolarHBondContact O-N 2.94Å; S96-V99 PolarHBondContact O-N 3.32Å; V99-K101 PolarHBondContact O-N 2.93Å; V99-I102 PolarHBondContact O-N 3.37Å; V99-N103 PolarHBondContact O-N 3.21Å; V99-N103 PolarHBondContact O-ND2 2.99Å
100S89.8Confident88.2Confident55 Ų5560.1 Ų60.139%0.38535%0.351SS..Hα-helixtrans-65.5-37.6177.364.80000113S96 T97 L98 N103 N104S96-S100 PolarHBondContact O-N 3.47Å; S96-S100 PolarHBondContact O-OG 3.24Å; T97-S100 PolarHBondContact O-OG 3.3Å; T97-S100 VanDerWaalsContact O-OG 3.09Å; L98-S100 VanDerWaalsContact C-N 3.35Å; L98-S100 PolarHBondContact O-N 3.46Å; S100-N103 PolarHBondContact O-N 2.84Å; S100-N104 VanDerWaalsContact O-CG 3.22Å; S100-N104 PolarHBondContact O-N 3.06Å; S100-N104 PolarHBondContact O-ND2 2.88Å
101K90.3Very high88.3Confident101 Ų10159.8 Ų59.844%0.43935%0.349SS..Hα-helixtrans-60.9-43.8173.1-77.4175.5-178.6-174.20112.5T97 L98 V99 N104 L105 L208T97-K101 VanDerWaalsContact O-CG 3.26Å; T97-K101 WeakPolarHBondContact O-CG 3.46Å; T97-K101 PolarHBondContact O-N 2.85Å; L98-K101 WeakPolarHBondContact O-CB 3.47Å; L98-K101 PolarHBondContact O-N 3.37Å; V99-K101 PolarHBondContact O-N 2.93Å; K101-N104 PolarHBondContact O-N 3.17Å; K101-L105 WeakPolarHBondContact O-CG 3.5Å; K101-L105 PolarHBondContact O-N 3.09Å; K101-L208 HydrophobicContact CB-CD2 4.45Å; K101-L208 HydrophobicContact CD-CD2 4.24Å
102I91.3Very high88.5Confident0 Ų053.4 Ų53.40%032%0.316CS..Hα-helixtrans-64.9-41.5178.6-66.1166.1000110.7L82 L85 L86 C89 L98 V99 L105 L106 L208L82-I102 HydrophobicContact CB-CG2 4.41Å; L82-I102 HydrophobicContact CD2-CG2 4.35Å; L82-I102 WeakPolarHBondContact O-CG2 3.37Å; L85-I102 HydrophobicContact CB-CD1 4.29Å; L86-I102 HydrophobicContact CB-CG2 3.84Å; L86-I102 HydrophobicContact CD1-CB 4.32Å; L86-I102 HydrophobicContact CD1-CG2 4.14Å; L86-I102 HydrophobicContact CG-CG2 4.46Å; C89-I102 HydrophobicContact CB-CD1 4.49Å; L98-I102 WeakPolarHBondContact O-CG1 3.38Å; L98-I102 PolarHBondContact O-N 2.88Å; V99-I102 PolarHBondContact O-N 3.37Å; I102-L105 PolarHBondContact O-N 3.45Å; I102-L106 HydrophobicContact CG2-CD1 4.2Å; I102-L106 PolarHBondContact O-N 3.2Å; I102-L208 HydrophobicContact CG1-CD1 4.06Å
103N92.9Very high89Confident63 Ų6350 Ų5034%0.33730%0.301SS..Hα-helixtrans-62.3-44.7175.1-75.1-66.9000112V99 S100 L105 L106 D107V99-N103 PolarHBondContact O-N 3.21Å; V99-N103 PolarHBondContact O-ND2 2.99Å; S100-N103 PolarHBondContact O-N 2.84Å; N103-L105 VanDerWaalsContact C-N 3.26Å; N103-L105 PolarHBondContact O-N 2.66Å; N103-L106 WeakPolarHBondContact O-CB 3.39Å; N103-L106 PolarHBondContact O-N 3.3Å; N103-L106 VanDerWaalsContact O-N 3.11Å; N103-D107 PolarHBondContact O-N 2.98Å
104N93.3Very high89.7Confident105 Ų10551.8 Ų51.856%0.56129%0.291SS*.Hα-helixtrans-59.7-36.7175.3-68.8-21.2000112.4S100 K101 A108S100-N104 VanDerWaalsContact O-CG 3.22Å; S100-N104 PolarHBondContact O-N 3.06Å; S100-N104 PolarHBondContact O-ND2 2.88Å; K101-N104 PolarHBondContact O-N 3.17Å; N104-A108 WeakPolarHBondContact O-CB 3.46Å; N104-A108 PolarHBondContact O-N 3.46Å
105L92.7Very high90.1Very high11 Ų1151.4 Ų51.46%0.05829%0.291CS..Hα-helixtrans-70.3-39.7174.8-71.6175.8000112.2L82 K101 I102 N103 D107 A108 V109 W200 I201 Q204 L208L82-L105 HydrophobicContact CD1-CB 3.97Å; L82-L105 HydrophobicContact CD2-CB 4.14Å; L82-L105 HydrophobicContact CD2-CD1 4.07Å; K101-L105 WeakPolarHBondContact O-CG 3.5Å; K101-L105 PolarHBondContact O-N 3.09Å; I102-L105 PolarHBondContact O-N 3.45Å; N103-L105 VanDerWaalsContact C-N 3.26Å; N103-L105 PolarHBondContact O-N 2.66Å; L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 PolarHBondContact O-N 3.5Å; L105-A108 WeakPolarHBondContact O-CB 3.46Å; L105-A108 PolarHBondContact O-N 3.13Å; L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.37Å; L105-V109 PolarHBondContact O-N 2.97Å; L105-W200 HydrophobicContact CD2-CH2 4.2Å; L105-W200 HydrophobicContact CD2-CZ3 3.87Å; L105-I201 HydrophobicContact CD2-CG2 4.31Å; L105-Q204 HydrophobicContact CD1-CB 4.04Å; L105-Q204 HydrophobicContact CD2-CB 3.67Å; L105-Q204 HydrophobicContact CD2-CG 4.2Å; L105-L208 HydrophobicContact CD1-CD1 3.3Å
106L94.2Very high90.6Very high26 Ų2650.6 Ų50.614%0.13628%0.284CS..Hα-helixtrans-59.9-41.7174-79.8165.6000111.5R79 L82 L86 I102 N103 V109 G110R79-L106 HydrophobicContact CG-CD2 3.88Å; L82-L106 HydrophobicContact CB-CD2 3.64Å; L82-L106 HydrophobicContact CB-CG 3.88Å; L82-L106 HydrophobicContact CD1-CD2 4.23Å; L82-L106 HydrophobicContact CD1-CG 4.33Å; L86-L106 HydrophobicContact CD2-CD1 4.11Å; I102-L106 HydrophobicContact CG2-CD1 4.2Å; I102-L106 PolarHBondContact O-N 3.2Å; N103-L106 WeakPolarHBondContact O-CB 3.39Å; N103-L106 PolarHBondContact O-N 3.3Å; N103-L106 VanDerWaalsContact O-N 3.11Å; L106-V109 PolarHBondContact O-N 3.2Å; L106-G110 PolarHBondContact O-N 3.34Å
107D94.1Very high90.8Very high98 Ų9849.6 Ų49.652%0.52427%0.27SS..Hα-helixtrans-64.5-43.3174.7-68.8-22.8000111.4N103 L105 V109 G110 Q111N103-D107 PolarHBondContact O-N 2.98Å; L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 PolarHBondContact O-N 3.5Å; D107-V109 PolarHBondContact O-N 2.93Å; D107-G110 PolarHBondContact O-N 3.44Å; D107-Q111 WeakPolarHBondContact O-CG 3.31Å; D107-Q111 PolarHBondContact O-N 2.95Å
108A92.3Very high90.9Very high9 Ų951.5 Ų51.57%0.07427%0.271CS..Hα-helixtrans-60.9-42.1175.600000112.1N104 L105 G110 Q111 C112 P196 I201N104-A108 WeakPolarHBondContact O-CB 3.46Å; N104-A108 PolarHBondContact O-N 3.46Å; L105-A108 WeakPolarHBondContact O-CB 3.46Å; L105-A108 PolarHBondContact O-N 3.13Å; A108-G110 PolarHBondContact O-N 2.92Å; A108-Q111 PolarHBondContact O-N 3.47Å; A108-C112 PolarHBondContact O-N 3.46Å; A108-C112 PolarHBondContact O-SG 3.45Å; A108-P196 HydrophobicContact CB-CB 4.1Å; A108-P196 HydrophobicContact CB-CG 3.87Å; A108-I201 HydrophobicContact CB-CD1 4.02Å; A108-I201 HydrophobicContact CB-CG1 4.35Å
109V93.4Very high91Very high0 Ų059.2 Ų59.20%030%0.299CS..Hα-helixtrans-59.6-46174.4171.40000110.7Y75 L78 R79 L82 L105 L106 D107 Q111 C112 E113 I201Y75-V109 HydrophobicContact CD1-CG1 4.3Å; L78-V109 HydrophobicContact CD2-CG2 3.78Å; L78-V109 HydrophobicContact CG-CG2 3.95Å; R79-V109 HydrophobicContact CB-CG1 4.35Å; L82-V109 HydrophobicContact CD1-CG2 3.84Å; L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.37Å; L105-V109 PolarHBondContact O-N 2.97Å; L106-V109 PolarHBondContact O-N 3.2Å; D107-V109 PolarHBondContact O-N 2.93Å; V109-Q111 PolarHBondContact O-N 3.41Å; V109-C112 PolarHBondContact O-N 2.76Å; V109-E113 WeakPolarHBondContact O-CB 3.42Å; V109-E113 PolarHBondContact O-N 3.03Å; V109-I201 HydrophobicContact CG2-CD1 3.94Å; V109-I201 HydrophobicContact CG2-CG2 3.61Å
110G91.6Very high90.8Very high20 Ų2061 Ų6121%0.20631%0.307CS..Hα-helixtrans-60.1-43177.500000113.2L106 D107 A108 C112 E113 E114L106-G110 PolarHBondContact O-N 3.34Å; D107-G110 PolarHBondContact O-N 3.44Å; A108-G110 PolarHBondContact O-N 2.92Å; G110-C112 PolarHBondContact O-N 3.45Å; G110-E113 PolarHBondContact O-N 3.4Å; G110-E114 WeakPolarHBondContact O-CB 3.48Å; G110-E114 PolarHBondContact O-N 3.48Å
111Q91.4Very high90.5Very high113 Ų11367 Ų6753%0.52833%0.326SS..Hα-helixtrans-65.9-38.1177.2-69173.445.800112.5D107 A108 V109 C115D107-Q111 WeakPolarHBondContact O-CG 3.31Å; D107-Q111 PolarHBondContact O-N 2.95Å; A108-Q111 PolarHBondContact O-N 3.47Å; V109-Q111 PolarHBondContact O-N 3.41Å; Q111-C115 WeakPolarHBondContact O-CB 3.32Å; Q111-C115 PolarHBondContact O-N 2.93Å; Q111-C115 PolarHBondContact O-SG 3.44Å
112C89.6Confident90Very high10 Ų1066.6 Ų66.67%0.06834%0.336CS..Hα-helixtrans-64.8-49.6175.5-67.20000111.6Y75 A108 V109 G110 E114 C115 V116 P196 I201Y75-C112 HydrophobicContact CD1-CB 4.48Å; Y75-C112 HydrophobicContact CE1-CB 3.71Å; A108-C112 PolarHBondContact O-N 3.46Å; A108-C112 PolarHBondContact O-SG 3.45Å; V109-C112 PolarHBondContact O-N 2.76Å; G110-C112 PolarHBondContact O-N 3.45Å; C112-E114 VanDerWaalsContact C-N 3.32Å; C112-E114 PolarHBondContact O-N 3.04Å; C112-C115 WeakPolarHBondContact O-CB 3.46Å; C112-C115 PolarHBondContact O-N 3.24Å; C112-C115 VanDerWaalsContact O-N 3.17Å; C112-V116 WeakPolarHBondContact O-CG2 3.43Å; C112-V116 PolarHBondContact O-N 3.3Å; C112-P196 PolarHBondContact SG-O 3.37Å; C112-I201 HydrophobicContact CB-CD1 4.41Å; C112-I201 WeakPolarHBondContact SG-CD1 3.39Å
113E92.1Very high88.7Confident33 Ų3371.8 Ų71.815%0.15437%0.368CS..Hα-helixtrans-54.8-49.6178.4-178.9-176-175.300110.4I72 Y75 R79 V109 G110 C115 V116 L117I72-E113 HydrophobicContact CD1-CG 3.56Å; I72-E113 VanDerWaalsContact CD1-OE1 3.3Å; I72-E113 WeakPolarHBondContact CD1-OE1 3.4Å; Y75-E113 HydrophobicContact CD1-CB 4.34Å; Y75-E113 HydrophobicContact CG-CB 4.34Å; R79-E113 IonicContact CZ-OE2 2.63Å; R79-E113 IonicContact NH1-OE1 3.08Å; R79-E113 IonicContact NH1-OE2 2.66Å; R79-E113 PolarHBondContact NH1-OE2 3.47Å; R79-E113 IonicContact NH2-OE2 2.84Å; R79-E113 PolarHBondContact NH2-OE2 2.86Å; V109-E113 WeakPolarHBondContact O-CB 3.42Å; V109-E113 PolarHBondContact O-N 3.03Å; G110-E113 PolarHBondContact O-N 3.4Å; E113-C115 VanDerWaalsContact C-N 3.34Å; E113-C115 PolarHBondContact O-N 3.48Å; E113-V116 PolarHBondContact O-N 3.35Å; E113-L117 HydrophobicContact CG-CD1 4.03Å; E113-L117 HydrophobicContact CG-CG 4.48Å; E113-L117 WeakPolarHBondContact O-CB 3.28Å; E113-L117 WeakPolarHBondContact O-CG 3.23Å; E113-L117 PolarHBondContact O-N 3.24Å
114E91.4Very high87.1Confident104 Ų10472.6 Ų72.649%0.48638%0.383SS..Hα-helixtrans-63.5-39.8179.3-164.7-171.8168.300112.1G110 C112 V116 K118G110-E114 WeakPolarHBondContact O-CB 3.48Å; G110-E114 PolarHBondContact O-N 3.48Å; C112-E114 VanDerWaalsContact C-N 3.32Å; C112-E114 PolarHBondContact O-N 3.04Å; E114-V116 VanDerWaalsContact C-N 3.31Å; E114-V116 PolarHBondContact O-N 2.91Å; E114-K118 HydrophobicContact CG-CD 4.41Å; E114-K118 WeakPolarHBondContact O-CB 3.15Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.02Å; E114-K118 WeakPolarHBondContact OE1-CE 3.2Å; E114-K118 IonicContact OE1-NZ 3.77Å; E114-K118 PolarHBondContact OE1-NZ 3.43Å
115C88.6Confident85.4Confident39 Ų3973.2 Ų73.226%0.26439%0.393SS..Hα-helixtrans-62.1-40175.9-75.60000112.2Q111 C112 E113 R119 K195Q111-C115 WeakPolarHBondContact O-CB 3.32Å; Q111-C115 PolarHBondContact O-N 2.93Å; Q111-C115 PolarHBondContact O-SG 3.44Å; C112-C115 WeakPolarHBondContact O-CB 3.46Å; C112-C115 PolarHBondContact O-N 3.24Å; C112-C115 VanDerWaalsContact O-N 3.17Å; E113-C115 VanDerWaalsContact C-N 3.34Å; E113-C115 PolarHBondContact O-N 3.48Å; C115-R119 PolarHBondContact O-N 2.86Å; C115-K195 PolarHBondContact SG-NZ 3.16Å
116V88.9Confident83.5Confident38 Ų3881.1 Ų81.123%0.2343%0.43CS..Hα-helixtrans-74.1-42.7-179.5173.90000111.2V71 Y75 C112 E113 E114 K118 R119 L120V71-V116 HydrophobicContact CG1-CG1 3.33Å; Y75-V116 HydrophobicContact CE2-CG2 4.46Å; C112-V116 WeakPolarHBondContact O-CG2 3.43Å; C112-V116 PolarHBondContact O-N 3.3Å; E113-V116 PolarHBondContact O-N 3.35Å; E114-V116 VanDerWaalsContact C-N 3.31Å; E114-V116 PolarHBondContact O-N 2.91Å; V116-K118 VanDerWaalsContact C-N 3.3Å; V116-K118 PolarHBondContact O-N 3.45Å; V116-R119 WeakPolarHBondContact O-CB 3.35Å; V116-R119 PolarHBondContact O-N 2.88Å; V116-R119 VanDerWaalsContact O-N 3.09Å; V116-L120 HydrophobicContact CG1-CD1 4.29Å; V116-L120 WeakPolarHBondContact O-CG 3.2Å; V116-L120 PolarHBondContact O-N 3.49Å
117L88.9Confident81.7Confident81 Ų8184.8 Ų84.842%0.42446%0.455SS..Hα-helixtrans-59.9-39.9174.1-72175.4000112.2I72 E113 R119 L120 K121I72-L117 HydrophobicContact CD1-CD1 4.35Å; I72-L117 HydrophobicContact CD1-CD2 4.17Å; I72-L117 HydrophobicContact CD1-CG 4.37Å; E113-L117 HydrophobicContact CG-CD1 4.03Å; E113-L117 HydrophobicContact CG-CG 4.48Å; E113-L117 WeakPolarHBondContact O-CB 3.28Å; E113-L117 WeakPolarHBondContact O-CG 3.23Å; E113-L117 PolarHBondContact O-N 3.24Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 3.3Å; L117-L120 HydrophobicContact CD2-CD1 4.49Å; L117-L120 PolarHBondContact O-N 3.35Å; L117-K121 PolarHBondContact O-N 2.96Å
118K89.6Confident79.8Confident126 Ų12687.2 Ų87.255%0.54846%0.463SS..Hα-helixtrans-61.1-41.6173.9-78.1173.1-177.2166.40112.1E114 V116 K121 S122E114-K118 HydrophobicContact CG-CD 4.41Å; E114-K118 WeakPolarHBondContact O-CB 3.15Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.02Å; E114-K118 WeakPolarHBondContact OE1-CE 3.2Å; E114-K118 IonicContact OE1-NZ 3.77Å; E114-K118 PolarHBondContact OE1-NZ 3.43Å; V116-K118 VanDerWaalsContact C-N 3.3Å; V116-K118 PolarHBondContact O-N 3.45Å; K118-K121 PolarHBondContact O-N 2.94Å; K118-S122 PolarHBondContact O-N 3.01Å; K118-S122 PolarHBondContact O-OG 3.17Å
119R86.3Confident78.2Confident188 Ų18892 Ų9271%0.70949%0.491SS*.Hα-helixtrans-64-48.1176.1-77.7177.6173.2-107.51.4111.5C115 V116 L117 K121 S122 V123C115-R119 PolarHBondContact O-N 2.86Å; V116-R119 WeakPolarHBondContact O-CB 3.35Å; V116-R119 PolarHBondContact O-N 2.88Å; V116-R119 VanDerWaalsContact O-N 3.09Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 3.3Å; R119-K121 VanDerWaalsContact C-N 3.25Å; R119-K121 PolarHBondContact O-N 3.23Å; R119-S122 PolarHBondContact O-N 3.38Å; R119-S122 PolarHBondContact O-OG 3.01Å; R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 3.46Å
120L85Confident76.5Confident60 Ų6095.6 Ų95.631%0.31451%0.514SS..Hα-helixtrans-56.6-40.6177.7-70.2173000111.8V71 V116 L117 S122V71-L120 HydrophobicContact CB-CD1 4.42Å; V71-L120 HydrophobicContact CG1-CD1 4.38Å; V116-L120 HydrophobicContact CG1-CD1 4.29Å; V116-L120 WeakPolarHBondContact O-CG 3.2Å; V116-L120 PolarHBondContact O-N 3.49Å; L117-L120 HydrophobicContact CD2-CD1 4.49Å; L117-L120 PolarHBondContact O-N 3.35Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 2.98Å
121K83.6Confident74.9Confident181 Ų18199.3 Ų99.379%0.78753%0.528SS*.Hα-helixtrans-66.7-30.3177.2-170.7174.6179.8178.10113.8L117 K118 R119L117-K121 PolarHBondContact O-N 2.96Å; K118-K121 PolarHBondContact O-N 2.94Å; R119-K121 VanDerWaalsContact C-N 3.25Å; R119-K121 PolarHBondContact O-N 3.23Å
122S78.3Confident73.3Confident94 Ų9499.7 Ų99.766%0.65753%0.534SS*.Hα-helixtrans-84-10.9-174.963.70000115.3K118 R119 L120K118-S122 PolarHBondContact O-N 3.01Å; K118-S122 PolarHBondContact O-OG 3.17Å; R119-S122 PolarHBondContact O-N 3.38Å; R119-S122 PolarHBondContact O-OG 3.01Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 2.98Å
123V63.6Low71.9Confident109 Ų109104.5 Ų104.566%0.66156%0.558SS**THydrogen-bonded Turntrans-85-8.7-174.4168.50000113.2R119 P125R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 3.46Å; V123-P125 WeakPolarHBondContact O-CD 3.41Å
124A60.4Low70.1Confident80 Ų80108 Ų10866%0.66158%0.578SS**  trans-64.9115.9179.900000111.4Q126A124-Q126 PolarHBondContact O-N 3.13Å
125P57.5Low68.7Low118 Ų118105.2 Ų105.277%0.76657%0.57SS**PPolyproline II helixtrans-64.6127.1168-9.625.6000107.7V123V123-P125 WeakPolarHBondContact O-CD 3.41Å
126Q53.6Low67.4Low176 Ų176107.9 Ų107.982%0.82258%0.58SS**PPolyproline II helixtrans-61.7129.4170.7-97.8-178.3-14.700109A124 Q128A124-Q126 PolarHBondContact O-N 3.13Å; Q126-Q128 PolarHBondContact O-N 2.48Å
127P55.5Low65.9Low104 Ų104113.7 Ų113.768%0.67561%0.605SS**PPolyproline II helixtrans-59.3123.3162.223.9-28.3000107.4D131P127-D131 WeakPolarHBondContact CB-OD2 3.37Å
128Q54.9Low64.5Low148 Ų148113.1 Ų113.169%0.69260%0.602SS**PPolyproline II helixtrans-69.1154.4-176.5-67.8-176.8-5.200109.5Q126 T130 D131Q126-Q128 PolarHBondContact O-N 2.48Å; Q128-T130 PolarHBondContact O-N 2.99Å; Q128-T130 PolarHBondContact O-OG1 3.3Å; Q128-D131 PolarHBondContact O-N 2.86Å; Q128-D131 VanDerWaalsContact O-N 3.11Å
129V58.5Low63.1Low109 Ų109113.7 Ų113.766%0.66161%0.609SS**THydrogen-bonded Turntrans-52-14.2-179.2175.50000113.8D131 L132V129-D131 VanDerWaalsContact C-N 3.32Å; V129-D131 PolarHBondContact O-N 3.27Å; V129-L132 PolarHBondContact O-N 3.01Å
130T57Low61.9Low77 Ų77109.4 Ų109.447%0.47260%0.6SS.*Hα-helixtrans-55.5-38.1172.146.10000113.7Q128 L132 L133 D134Q128-T130 PolarHBondContact O-N 2.99Å; Q128-T130 PolarHBondContact O-OG1 3.3Å; T130-L132 PolarHBondContact O-N 3.19Å; T130-L132 VanDerWaalsContact O-N 3.14Å; T130-L133 PolarHBondContact O-N 3.46Å; T130-L133 VanDerWaalsContact O-N 3.14Å; T130-D134 PolarHBondContact O-N 3.42Å
131D57.7Low60.8Low97 Ų97113.2 Ų113.252%0.51962%0.62SS.*Hα-helixtrans-67.8-17.7-178-64.5-10.4000113.1P127 Q128 V129P127-D131 WeakPolarHBondContact CB-OD2 3.37Å; Q128-D131 PolarHBondContact O-N 2.86Å; Q128-D131 VanDerWaalsContact O-N 3.11Å; V129-D131 VanDerWaalsContact C-N 3.32Å; V129-D131 PolarHBondContact O-N 3.27Å
132L58.5Low59.2Low122 Ų122109.4 Ų109.464%0.63962%0.615SS**Hα-helixtrans-86.4-25.8177.3-72.1169.2000113.1V129 T130 I136V129-L132 PolarHBondContact O-N 3.01Å; T130-L132 PolarHBondContact O-N 3.19Å; T130-L132 VanDerWaalsContact O-N 3.14Å; L132-I136 WeakPolarHBondContact O-CG1 3.25Å
133L59.5Low57.9Low111 Ų111112.2 Ų112.258%0.58162%0.617SS**Hα-helixtrans-76.7-38.5179.4-83.8145.5000111.1T130 S135 I136 E137T130-L133 PolarHBondContact O-N 3.46Å; T130-L133 VanDerWaalsContact O-N 3.14Å; L133-S135 VanDerWaalsContact C-N 3.26Å; L133-S135 PolarHBondContact O-N 3.11Å; L133-I136 PolarHBondContact O-N 3.38Å; L133-I136 VanDerWaalsContact O-N 3.11Å; L133-E137 PolarHBondContact O-N 2.97Å
134D54.5Low57Low107 Ų107113.2 Ų113.257%0.57262%0.623SS**Hα-helixtrans-62.1-29.6177.2-71.9-6.5000112.9T130T130-D134 PolarHBondContact O-N 3.42Å
135S61.5Low56.1Low45 Ų45115.4 Ų115.432%0.31563%0.628SS.*Hα-helixtrans-81.5-16.8177-66.70000114.4L133L133-S135 VanDerWaalsContact C-N 3.26Å; L133-S135 PolarHBondContact O-N 3.11Å
136I61.6Low55.2Low94 Ų94114.8 Ų114.848%0.48262%0.624SS.*Hα-helixtrans-87.3-31.1179.9-70.2170.1000110.7L132 L133 D138 M139L132-I136 WeakPolarHBondContact O-CG1 3.25Å; L133-I136 PolarHBondContact O-N 3.38Å; L133-I136 VanDerWaalsContact O-N 3.11Å; I136-D138 VanDerWaalsContact C-N 3.29Å; I136-D138 PolarHBondContact O-N 2.81Å; I136-M139 PolarHBondContact O-N 3.16Å
137E57.6Low54.8Low160 Ų160110.5 Ų110.575%0.74862%0.619SS**Hα-helixtrans-67-29.1178-161.1165-166.400112.5L133 M139L133-E137 PolarHBondContact O-N 2.97Å; E137-M139 VanDerWaalsContact C-N 3.31Å; E137-M139 PolarHBondContact O-N 3.4Å
138D59.2Low54.2Low69 Ų69114.2 Ų114.237%0.36963%0.627SS.*THydrogen-bonded Turntrans-72.4-12176.4-85.9-45.1000117Y45 I49 I136 D140Y45-D138 HydrophobicContact CE1-CB 3.84Å; Y45-D138 WeakPolarHBondContact CE1-OD1 3.36Å; Y45-D138 WeakPolarHBondContact CE1-OD2 3.47Å; Y45-D138 PolarHBondContact OH-OD1 3.44Å; Y45-D138 PolarHBondContact OH-OD2 2.9Å; I49-D138 WeakPolarHBondContact CD1-OD2 3.45Å; I136-D138 VanDerWaalsContact C-N 3.29Å; I136-D138 PolarHBondContact O-N 2.81Å; D138-D140 PolarHBondContact O-N 3.14Å
139M61.9Low53.3Low138 Ų138116.7 Ų116.768%0.6864%0.636SS**THydrogen-bonded Turntrans-85.37.4179.9-66.6-156-47.100113.6I136 E137I136-M139 PolarHBondContact O-N 3.16Å; E137-M139 VanDerWaalsContact C-N 3.31Å; E137-M139 PolarHBondContact O-N 3.4Å
140D61.2Low52.6Low98 Ų98121.5 Ų121.552%0.52465%0.648SS.*  trans43.868.9174.8-1533000114.2D138 C142 H143D138-D140 PolarHBondContact O-N 3.14Å; D140-C142 PolarHBondContact O-N 3.31Å; D140-C142 VanDerWaalsContact O-N 3.12Å; D140-H143 IonicContact OD2-NE2 3.74Å
141L61.1Low51.7Low140 Ų140125.6 Ų125.673%0.73367%0.665SS**  trans-73.813.2178.6-77170.2000114.5
142C50Low50.7Low101 Ų101127.7 Ų127.768%0.68268%0.676SS**  trans-133.666.5-173.4-77.30000114.5D140D140-C142 PolarHBondContact O-N 3.31Å; D140-C142 VanDerWaalsContact O-N 3.12Å
143H50Low49.9Very low154 Ų154129.7 Ų129.771%0.71368%0.682SS**  trans-118.879.9148.2-66.6-27.1000109.9D140 V145D140-H143 IonicContact OD2-NE2 3.74Å; H143-V145 VanDerWaalsContact C-N 3.33Å; H143-V145 PolarHBondContact O-N 3.44Å
144V46.3Very low49.1Very low129 Ų129130.6 Ų130.678%0.78269%0.692SS**  trans-66.6101.4155.41770000106.1P146V144-P146 HydrophobicContact CG1-CG 4.14Å; V144-P146 WeakPolarHBondContact O-CD 3.35Å
145V41.1Very low48.2Very low126 Ų126135.1 Ų135.176%0.76471%0.707SS**  trans-88.1108.4156.3179.10000105.8H143 A147H143-V145 VanDerWaalsContact C-N 3.33Å; H143-V145 PolarHBondContact O-N 3.44Å; V145-A147 PolarHBondContact O-N 2.9Å
146P39.1Very low47.3Very low105 Ų105140 Ų14068%0.68273%0.729SS**  trans-72130.2166-522.6000107.9V144 E148V144-P146 HydrophobicContact CG1-CG 4.14Å; V144-P146 WeakPolarHBondContact O-CD 3.35Å; P146-E148 PolarHBondContact O-N 3.05Å
147A43.6Very low46Very low86 Ų86144.2 Ų144.271%0.71175%0.747SS**  trans-51.1132.8172.800000112V145V145-A147 PolarHBondContact O-N 2.9Å
148E44.1Very low45Very low182 Ų182146.8 Ų146.885%0.8575%0.75SS**  trans40.5107.3144.1-61-179.816900118.3P146P146-E148 PolarHBondContact O-N 3.05Å
149K36.7Very low43.7Very low200 Ų200149.8 Ų149.887%0.8777%0.765SS**  trans-140.1111.5134.8-91.3-179.2-175.4172.40109.8I151K149-I151 PolarHBondContact O-N 2.82Å
150K43.2Very low42.5Very low210 Ų210149.5 Ų149.591%0.91378%0.775SS**  trans-59.6124.3159.9-67.8-163176.2-168.10108.8
151I37Very low41Very low163 Ų163151.7 Ų151.784%0.83678%0.782SS**  trans-147.8143.9145.3-34.4171.1000108.9K149K149-I151 PolarHBondContact O-N 2.82Å
152D37.4Very low39.8Very low141 Ų141151.8 Ų151.875%0.75478%0.784SS**  trans-63.1167.7-171.6-132.7-19.8000117
153E40.8Very low39.1Very low165 Ų165151.7 Ų151.777%0.77178%0.784SS**  trans64.3113.9154-75.2-176.9150.300122.2
154V43.7Very low38.8Very low129 Ų129149.2 Ų149.278%0.78279%0.79SS**  trans35.6109.6130.3-1710000117.4
155K36.2Very low38.1Very low203 Ų203151.7 Ų151.788%0.88379%0.793SS**  -167.8128.4122.2-102.7164.2-172.5-175.90112.2
156D41Very low38Very low147 Ų147155.2 Ų155.279%0.78680%0.799SS**  trans-48.3130.4159.5-177.519.8000111.5
157E35Very low37.8Very low182 Ų182157.7 Ų157.785%0.8581%0.806SS**  trans-173.198.5146.5-106.8172.2-165.900111.4
158R36.2Very low37.8Very low214 Ų214161.7 Ų161.781%0.80881%0.807SS**  52.9125129.1-92.1-174178.4-172.80.1122
159L33.2Very low37.5Very low133 Ų133160 Ų16070%0.69680%0.804SS**  trans81.3126140.9-54.8165.6000115.4
160C36Very low37.4Very low132 Ų132155.5 Ų155.589%0.89280%0.798SS**  -147.1131.264.5-142.80000113.6
161E30.5Very low37Very low144 Ų144152.8 Ų152.867%0.67379%0.793SS**  trans-76152.2165.9-72.8171.8129.900111.6
162N34.9Very low37Very low142 Ų142154 Ų15476%0.75979%0.793SS**  trans63.7138150.5-55.8-22.1000117.1
163S34.6Very low36.8Very low99 Ų99151.9 Ų151.969%0.69279%0.789SS**  -169.3137.450.8-43.40000109.9
164A43.5Very low36.3Very low101 Ų101152.5 Ų152.584%0.83579%0.791SS**  trans-75.5125.7152.800000108.4
165E32.6Very low36.1Very low181 Ų181153.7 Ų153.785%0.84679%0.792SS**  trans-137.3113.1162.4-75.9-168.5164.500110.6
166F38.2Very low35.7Very low201 Ų201155.2 Ų155.288%0.88279%0.792SS**  trans-64.5135.4160.9-90.5-96.7000109.3
167N35.2Very low35.7Very low157 Ų157153 Ų15384%0.8478%0.784SS**  trans-120.7125.2156.8-162.6-12.5000110.2
168K44.8Very low35.1Very low170 Ų170151.6 Ų151.674%0.73978%0.782SS**  trans-128.5144-176.6-136.8179.5-172.2173.90105.6
169N36.3Very low35.3Very low147 Ų147147.1 Ų147.179%0.78678%0.782SS**  trans80.1147.2165.98133.9000115.6
170S35.3Very low35.1Very low104 Ų104146.5 Ų146.573%0.72779%0.789SS**  cis-159.5158.420.5-48.40000112.1
171D35.8Very low34.9Very low153 Ų153148.3 Ų148.382%0.81878%0.784SS**  trans-60.7157.1170.8-63.5-68000116.5
172K36.6Very low35.5Very low190 Ų190145.4 Ų145.483%0.82678%0.779SS**  145.4132.3116.5-100.1179.7178.7171.90117.2
173S33.5Very low35.2Very low96 Ų96147.2 Ų147.267%0.67178%0.783SS**  trans75.8136.314874.40000117.4
174H28.9Very low35.3Very low177 Ų177148.6 Ų148.682%0.81979%0.792SS**  cis-145149.537.6-94.1-93.7000115
175I40.5Very low34.8Very low155 Ų155148.1 Ų148.180%0.79578%0.781SS**  trans-57.1130.1161.8-68.2157.9000110.6
176R26.8Very low34.8Very low234 Ų234150.2 Ų150.288%0.88378%0.781SS**  trans-150107.9142.8-159.5172.6-162.7167.85.4111.1
177T40.7Very low34.5Very low102 Ų102146.3 Ų146.363%0.62677%0.774SS**  trans-43.7134.2159.6-39.80000111.2
178D23.9Very low34.3Very low152 Ų152147.5 Ų147.581%0.81378%0.775SS**  -156118.1123.3-89.5-25.1000110
179C39Very low33.9Very low120 Ų120147.5 Ų147.581%0.81178%0.777SS**  trans-89.8117.9174-1730000106.4
180S30.2Very low33.7Very low119 Ų119149 Ų14983%0.83278%0.779SS**  trans-121.699.3171.4-62.70000109.9
181H32.2Very low33.7Very low171 Ų171152.5 Ų152.579%0.79278%0.784SS**  trans-40.9144.2162.7-167.8-108.1000113.4
182S42.8Very low34Very low82 Ų82153.6 Ų153.657%0.57378%0.784SS**  trans60.1110.4141.9176.30000118.9
183E28.1Very low34Very low180 Ų180151.5 Ų151.584%0.84178%0.781SS**  -166.284116.2-108168.2179.100109.7
184C36.5Very low34.7Very low129 Ų129156.2 Ų156.287%0.87279%0.793SS**  trans-87.397.1155.1-178.70000106.5
185C32.2Very low36.1Very low91 Ų91155 Ų15562%0.61579%0.785SS**  trans-147.8116172-92.90000112
186R33.2Very low37.5Very low224 Ų224149.2 Ų149.285%0.84576%0.758SS**  62.6133.1127.4-64.4176.4-179.2177.1-0.5116.9
187T32.6Very low40Very low119 Ų119140.7 Ų140.773%0.7373%0.734SS**  cis-17114743.1-6.40000105.3
188Q31.3Very low42Very low182 Ų182137.9 Ų137.985%0.8571%0.714SS**  -162.6129.290.7-134.3165.629.700110.9
189E36.8Very low44.9Very low170 Ų170135.6 Ų135.679%0.79471%0.706SS**  trans-69137.8172.7-64.7166.1143.300110.5
190H30.2Very low47.3Very low180 Ų180135.1 Ų135.183%0.83369%0.687SS**  trans-145.1138.9143.9-94-69.7000108.8
191E36.1Very low50Low177 Ų177129.4 Ų129.483%0.82765%0.648SS**  trans-69.3158.9-154.5-61.7160.6135.100115.7
192H41.4Very low52.6Low175 Ų175122.4 Ų122.481%0.8162%0.616SS**  trans92.768.4143-130.7-79.6000119.6
193L38.1Very low54.7Low147 Ų147125 Ų12577%0.7762%0.619SS**  -175.2101.8119.8-122.488000106.2K195L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.47Å
194E47.5Very low57.4Low195 Ų195119.7 Ų119.791%0.91159%0.594SS**  trans-60.2101.5168.7-77-173.2157.300107.5
195K59.2Low59.8Low150 Ų150113.5 Ų113.565%0.65255%0.553SS**PPolyproline II helixtrans-56.2135.1166.8-71.2-176.7176.7-173.90106.6C115 L193 S197C115-K195 PolarHBondContact SG-NZ 3.16Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.47Å; K195-S197 PolarHBondContact O-N 3.23Å; K195-S197 VanDerWaalsContact O-N 3.12Å
196P68.5Low62.4Low35 Ų35110.4 Ų110.423%0.22753%0.533CS..PPolyproline II helixtrans-52.9127.6177.720-29.1000108A108 C112 W200 I201A108-P196 HydrophobicContact CB-CB 4.1Å; A108-P196 HydrophobicContact CB-CG 3.87Å; C112-P196 PolarHBondContact SG-O 3.37Å; P196-W200 HydrophobicContact CB-CE3 3.81Å; P196-W200 HydrophobicContact CB-CZ3 4.04Å; P196-I201 HydrophobicContact CB-CD1 4.24Å; P196-I201 HydrophobicContact CB-CG1 4.18Å
197S80.3Confident64.9Low55 Ų55102 Ų10239%0.38551%0.509SS..PPolyproline II helixtrans-87.1154.4173.962.80000108.8K195 T199 W200 I201K195-S197 PolarHBondContact O-N 3.23Å; K195-S197 VanDerWaalsContact O-N 3.12Å; S197-T199 PolarHBondContact O-N 3.4Å; S197-T199 PolarHBondContact OG-OG1 3.11Å; S197-W200 WeakPolarHBondContact O-CB 3.37Å; S197-W200 PolarHBondContact O-N 3.14Å; S197-W200 VanDerWaalsContact O-N 3.09Å; S197-W200 VanDerWaalsContact OG-CB 3.31Å; S197-W200 WeakPolarHBondContact OG-CB 3.33Å; S197-W200 PolarHBondContact OG-N 3.14Å; S197-I201 WeakPolarHBondContact O-CG1 3.4Å; S197-I201 PolarHBondContact O-N 3.31Å
198L82.7Confident67.4Low42 Ų4296.8 Ų96.822%0.2248%0.476CS..Hα-helixtrans-54.9-40.7176.2177.963.1000111.3Y75 L78 W200 I201 L202Y75-L198 HydrophobicContact CD1-CD1 4.18Å; Y75-L198 HydrophobicContact CE1-CB 4.46Å; Y75-L198 HydrophobicContact CE1-CD1 3.78Å; L78-L198 HydrophobicContact CD2-CD1 3.73Å; L198-W200 PolarHBondContact O-N 3.27Å; L198-I201 PolarHBondContact O-N 3.49Å; L198-L202 HydrophobicContact CD1-CD1 4.44Å; L198-L202 HydrophobicContact CD1-CG 4.39Å; L198-L202 HydrophobicContact CG-CD1 4.07Å; L198-L202 HydrophobicContact CG-CG 4.46Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.41Å
199T84.9Confident69.9Low104 Ų10488.1 Ų88.164%0.63844%0.436SS*.Hα-helixtrans-62.1-41.8177.751.60000112.4S197 L202 E203S197-T199 PolarHBondContact O-N 3.4Å; S197-T199 PolarHBondContact OG-OG1 3.11Å; T199-L202 PolarHBondContact O-N 3.39Å; T199-E203 PolarHBondContact O-N 3.34Å
200W88.8Confident72.2Confident110 Ų11086.8 Ų86.842%0.41743%0.428SS..Hα-helixtrans-62.7-44.6175.2179.888.9000111.4L105 P196 S197 L198 L202 E203 Q204L105-W200 HydrophobicContact CD2-CH2 4.2Å; L105-W200 HydrophobicContact CD2-CZ3 3.87Å; P196-W200 HydrophobicContact CB-CE3 3.81Å; P196-W200 HydrophobicContact CB-CZ3 4.04Å; S197-W200 WeakPolarHBondContact O-CB 3.37Å; S197-W200 PolarHBondContact O-N 3.14Å; S197-W200 VanDerWaalsContact O-N 3.09Å; S197-W200 VanDerWaalsContact OG-CB 3.31Å; S197-W200 WeakPolarHBondContact OG-CB 3.33Å; S197-W200 PolarHBondContact OG-N 3.14Å; L198-W200 PolarHBondContact O-N 3.27Å; W200-L202 PolarHBondContact O-N 3Å; W200-E203 PolarHBondContact O-N 3.4Å; W200-Q204 HydrophobicContact CD2-CG 4.01Å; W200-Q204 HydrophobicContact CE3-CG 4.22Å; W200-Q204 HydrophobicContact CH2-CG 3.97Å; W200-Q204 HydrophobicContact CZ2-CG 3.74Å; W200-Q204 HydrophobicContact CZ3-CG 4.21Å; W200-Q204 WeakPolarHBondContact O-CG 3.4Å; W200-Q204 PolarHBondContact O-N 3.45Å
201I86.8Confident74.7Confident0 Ų083.7 Ų83.70%041%0.414CS..Hα-helixtrans-64.3-41.7178.8-58.9174.1000111L78 L105 A108 V109 C112 P196 S197 L198 E203 Q204 T205L78-I201 HydrophobicContact CD2-CB 4.3Å; L78-I201 HydrophobicContact CD2-CG2 3.71Å; L78-I201 HydrophobicContact CG-CG2 4.4Å; L105-I201 HydrophobicContact CD2-CG2 4.31Å; A108-I201 HydrophobicContact CB-CD1 4.02Å; A108-I201 HydrophobicContact CB-CG1 4.35Å; V109-I201 HydrophobicContact CG2-CD1 3.94Å; V109-I201 HydrophobicContact CG2-CG2 3.61Å; C112-I201 HydrophobicContact CB-CD1 4.41Å; C112-I201 WeakPolarHBondContact SG-CD1 3.39Å; P196-I201 HydrophobicContact CB-CD1 4.24Å; P196-I201 HydrophobicContact CB-CG1 4.18Å; S197-I201 WeakPolarHBondContact O-CG1 3.4Å; S197-I201 PolarHBondContact O-N 3.31Å; L198-I201 PolarHBondContact O-N 3.49Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.41Å; I201-Q204 PolarHBondContact O-N 3.11Å; I201-T205 WeakPolarHBondContact O-CB 3.35Å; I201-T205 PolarHBondContact O-N 3.26Å; I201-T205 PolarHBondContact O-OG1 2.82Å
202L86.1Confident76.8Confident24 Ų2476.1 Ų76.113%0.12638%0.378CS..Hα-helixtrans-60.8-42.8176.4-74.6170.6000111.5L78 L198 T199 W200 T205 A206 L222 L225L78-L202 HydrophobicContact CD1-CD2 3.97Å; L78-L202 HydrophobicContact CD2-CD2 4.26Å; L198-L202 HydrophobicContact CD1-CD1 4.44Å; L198-L202 HydrophobicContact CD1-CG 4.39Å; L198-L202 HydrophobicContact CG-CD1 4.07Å; L198-L202 HydrophobicContact CG-CG 4.46Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.41Å; T199-L202 PolarHBondContact O-N 3.39Å; W200-L202 PolarHBondContact O-N 3Å; L202-T205 PolarHBondContact O-N 3.37Å; L202-A206 WeakPolarHBondContact O-CB 2.91Å; L202-A206 PolarHBondContact O-N 3.2Å; L202-L222 HydrophobicContact CD2-CD2 4.13Å; L202-L225 HydrophobicContact CD1-CB 4.5Å; L202-L225 HydrophobicContact CD2-CB 4.11Å; L202-L225 HydrophobicContact CD2-CD1 4.12Å
203E87.2Confident78.4Confident135 Ų13571.1 Ų71.163%0.63137%0.374SS*.Hα-helixtrans-63.7-44.9177.1-172.1174.6-167.200112T199 W200 I201 T205 A206 S207T199-E203 PolarHBondContact O-N 3.34Å; W200-E203 PolarHBondContact O-N 3.4Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.41Å; E203-T205 VanDerWaalsContact C-N 3.33Å; E203-T205 PolarHBondContact O-N 3.27Å; E203-A206 PolarHBondContact O-N 3Å; E203-S207 WeakPolarHBondContact O-CB 3.02Å; E203-S207 PolarHBondContact O-N 3.01Å
204Q86.2Confident80.2Confident69 Ų6965.7 Ų65.732%0.32235%0.347SS..Hα-helixtrans-63.6-40.1176-65-47.6-55.300112L105 W200 I201 S207 L208L105-Q204 HydrophobicContact CD1-CB 4.04Å; L105-Q204 HydrophobicContact CD2-CB 3.67Å; L105-Q204 HydrophobicContact CD2-CG 4.2Å; W200-Q204 HydrophobicContact CD2-CG 4.01Å; W200-Q204 HydrophobicContact CE3-CG 4.22Å; W200-Q204 HydrophobicContact CH2-CG 3.97Å; W200-Q204 HydrophobicContact CZ2-CG 3.74Å; W200-Q204 HydrophobicContact CZ3-CG 4.21Å; W200-Q204 WeakPolarHBondContact O-CG 3.4Å; W200-Q204 PolarHBondContact O-N 3.45Å; I201-Q204 PolarHBondContact O-N 3.11Å; Q204-S207 PolarHBondContact O-N 3.3Å; Q204-L208 WeakPolarHBondContact O-CG 3.45Å; Q204-L208 PolarHBondContact O-N 3Å
205T85.6Confident81.6Confident0 Ų059.3 Ų59.30%032%0.324CS..Hα-helixtrans-65.5-43.8177.5-52.90000110.9L78 L82 L85 I201 L202 E203 S207 L208 V209 L222L78-T205 HydrophobicContact CD1-CG2 4.19Å; L82-T205 HydrophobicContact CD2-CG2 3.78Å; L82-T205 HydrophobicContact CG-CG2 4.27Å; L85-T205 HydrophobicContact CD1-CG2 4.33Å; I201-T205 WeakPolarHBondContact O-CB 3.35Å; I201-T205 PolarHBondContact O-N 3.26Å; I201-T205 PolarHBondContact O-OG1 2.82Å; L202-T205 PolarHBondContact O-N 3.37Å; E203-T205 VanDerWaalsContact C-N 3.33Å; E203-T205 PolarHBondContact O-N 3.27Å; T205-S207 VanDerWaalsContact C-N 3.33Å; T205-S207 PolarHBondContact O-N 3.45Å; T205-L208 PolarHBondContact O-N 2.58Å; T205-V209 VanDerWaalsContact O-CG2 3.3Å; T205-V209 WeakPolarHBondContact O-CG2 3.33Å; T205-V209 PolarHBondContact O-N 2.94Å; T205-L222 HydrophobicContact CG2-CD1 3.81Å; T205-L222 HydrophobicContact CG2-CD2 4.11Å
206A86.2Confident82.2Confident25 Ų2557.2 Ų57.221%0.20732%0.324CS..Hα-helixtrans-63.9-37.4176.100000112.5L202 E203 K210 L219L202-A206 WeakPolarHBondContact O-CB 2.91Å; L202-A206 PolarHBondContact O-N 3.2Å; E203-A206 PolarHBondContact O-N 3Å; A206-K210 WeakPolarHBondContact O-CG 3.46Å; A206-K210 PolarHBondContact O-N 3.18Å; A206-K210 VanDerWaalsContact O-N 3.15Å; A206-L219 HydrophobicContact CB-CD2 4.05Å; A206-L219 WeakPolarHBondContact O-CD2 3.49Å
207S86.3Confident82.6Confident49 Ų4960.7 Ų60.734%0.34334%0.34SS..Hα-helixtrans-63.3-44.5173.8-173.30000111.6E203 Q204 T205 K210 Q211E203-S207 WeakPolarHBondContact O-CB 3.02Å; E203-S207 PolarHBondContact O-N 3.01Å; Q204-S207 PolarHBondContact O-N 3.3Å; T205-S207 VanDerWaalsContact C-N 3.33Å; T205-S207 PolarHBondContact O-N 3.45Å; S207-K210 PolarHBondContact O-N 2.99Å; S207-Q211 WeakPolarHBondContact O-CG 3.3Å; S207-Q211 PolarHBondContact O-N 2.83Å
208L85.3Confident82.4Confident8 Ų860 Ų604%0.04233%0.334CS..Hα-helixtrans-62.7-46.1176-76.6172.8000112.2L98 K101 I102 L105 Q204 T205 K210 Q211 L212L98-L208 HydrophobicContact CD2-CD2 3.78Å; K101-L208 HydrophobicContact CB-CD2 4.45Å; K101-L208 HydrophobicContact CD-CD2 4.24Å; I102-L208 HydrophobicContact CG1-CD1 4.06Å; L105-L208 HydrophobicContact CD1-CD1 3.3Å; Q204-L208 WeakPolarHBondContact O-CG 3.45Å; Q204-L208 PolarHBondContact O-N 3Å; T205-L208 PolarHBondContact O-N 2.58Å; L208-K210 VanDerWaalsContact C-N 3.26Å; L208-K210 PolarHBondContact O-N 3.34Å; L208-Q211 WeakPolarHBondContact O-CB 3.3Å; L208-Q211 PolarHBondContact O-N 3.12Å; L208-L212 HydrophobicContact CB-CD1 4.25Å; L208-L212 WeakPolarHBondContact O-CB 3.47Å; L208-L212 VanDerWaalsContact O-CD1 3.25Å; L208-L212 WeakPolarHBondContact O-CD1 3.28Å; L208-L212 VanDerWaalsContact O-CG 3.24Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 3.09Å
209V84.9Confident81.9Confident0 Ų059.5 Ų59.50%033%0.331CS..Hα-helixtrans-58.4-40.3178.7172.70000111.2L85 T205 L212 G213 V214 V218 L219 L222L85-V209 HydrophobicContact CD1-CG2 3.62Å; L85-V209 HydrophobicContact CD2-CG2 4.18Å; T205-V209 VanDerWaalsContact O-CG2 3.3Å; T205-V209 WeakPolarHBondContact O-CG2 3.33Å; T205-V209 PolarHBondContact O-N 2.94Å; V209-L212 PolarHBondContact O-N 3.08Å; V209-G213 PolarHBondContact O-N 2.95Å; V209-V214 HydrophobicContact CG1-CB 4.26Å; V209-V214 PolarHBondContact O-N 3.4Å; V209-V218 HydrophobicContact CG1-CB 4.25Å; V209-V218 HydrophobicContact CG1-CG1 4.23Å; V209-V218 HydrophobicContact CG2-CG1 4.08Å; V209-L219 HydrophobicContact CB-CD2 3.8Å; V209-L219 HydrophobicContact CB-CG 4.33Å; V209-L219 HydrophobicContact CG1-CD1 4.35Å; V209-L219 HydrophobicContact CG1-CD2 3.68Å; V209-L219 HydrophobicContact CG1-CG 3.63Å; V209-L222 HydrophobicContact CG2-CD1 4.06Å
210K84.6Confident81.4Confident142 Ų14259.8 Ų59.862%0.61733%0.325SS*.Hα-helixtrans-63.6-42.6173-71.7173.9-177176.50112.5A206 S207 L208 L212 G213 L219A206-K210 WeakPolarHBondContact O-CG 3.46Å; A206-K210 PolarHBondContact O-N 3.18Å; A206-K210 VanDerWaalsContact O-N 3.15Å; S207-K210 PolarHBondContact O-N 2.99Å; L208-K210 VanDerWaalsContact C-N 3.26Å; L208-K210 PolarHBondContact O-N 3.34Å; K210-L212 VanDerWaalsContact C-N 3.31Å; K210-L212 PolarHBondContact O-N 2.98Å; K210-G213 PolarHBondContact O-N 3Å; K210-L219 HydrophobicContact CG-CD1 3.89Å; K210-L219 HydrophobicContact CG-CD2 4.21Å
211Q82.8Confident80.8Confident116 Ų11658.3 Ų58.354%0.54232%0.323SS..Hα-helixtrans-65.9-33.2178.3-73.2176.1-0.600112.8S207 L208 G213S207-Q211 WeakPolarHBondContact O-CG 3.3Å; S207-Q211 PolarHBondContact O-N 2.83Å; L208-Q211 WeakPolarHBondContact O-CB 3.3Å; L208-Q211 PolarHBondContact O-N 3.12Å; Q211-G213 VanDerWaalsContact C-N 3.31Å
212L79.1Confident80.3Confident17 Ų1758.8 Ų58.89%0.08933%0.325CS..Hα-helixtrans-81.5-10-179.9-66.5153.7000112.6L85 W88 C89 L98 L208 V209 K210 V214L85-L212 HydrophobicContact CD2-CD1 4.26Å; W88-L212 HydrophobicContact CE3-CD2 4.03Å; W88-L212 HydrophobicContact CH2-CB 4.42Å; W88-L212 WeakPolarHBondContact CH2-O 3.47Å; W88-L212 HydrophobicContact CZ3-CB 3.86Å; W88-L212 HydrophobicContact CZ3-CD2 3.5Å; W88-L212 HydrophobicContact CZ3-CG 4.26Å; C89-L212 WeakPolarHBondContact SG-CD2 3.41Å; L98-L212 HydrophobicContact CD1-CD2 4.03Å; L208-L212 HydrophobicContact CB-CD1 4.25Å; L208-L212 WeakPolarHBondContact O-CB 3.47Å; L208-L212 VanDerWaalsContact O-CD1 3.25Å; L208-L212 WeakPolarHBondContact O-CD1 3.28Å; L208-L212 VanDerWaalsContact O-CG 3.24Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 3.09Å; V209-L212 PolarHBondContact O-N 3.08Å; K210-L212 VanDerWaalsContact C-N 3.31Å; K210-L212 PolarHBondContact O-N 2.98Å; L212-V214 HydrophobicContact CB-CG2 3.73Å; L212-V214 PolarHBondContact O-N 3.1Å
213G75.7Confident79.8Confident70 Ų7067.6 Ų67.672%0.72236%0.357SS*.THydrogen-bonded Turntrans6523.2-179.200000114.1V209 K210 Q211V209-G213 PolarHBondContact O-N 2.95Å; K210-G213 PolarHBondContact O-N 3Å; Q211-G213 VanDerWaalsContact C-N 3.31Å
214V76.1Confident79.3Confident34 Ų3467.8 Ų67.821%0.20636%0.358CS..  trans-75.9157.8-178.4179.40000110.4L85 W88 V209 L212 V218L85-V214 HydrophobicContact CD2-CG1 4.48Å; L85-V214 HydrophobicContact CD2-CG2 4.2Å; W88-V214 HydrophobicContact CD2-CG2 4.29Å; W88-V214 HydrophobicContact CE3-CG2 4.26Å; W88-V214 HydrophobicContact CH2-CG2 4.3Å; W88-V214 HydrophobicContact CZ2-CG2 4.32Å; W88-V214 HydrophobicContact CZ3-CG2 4.24Å; V209-V214 HydrophobicContact CG1-CB 4.26Å; V209-V214 PolarHBondContact O-N 3.4Å; L212-V214 HydrophobicContact CB-CG2 3.73Å; L212-V214 PolarHBondContact O-N 3.1Å; V214-V218 HydrophobicContact CG1-CG2 4.05Å
215S75.8Confident78.6Confident61 Ų6166.8 Ų66.843%0.42736%0.355SS..  trans-45.6139.1-174.9-172.40000113.6D217 V218S215-D217 PolarHBondContact O-N 2.92Å; S215-D217 VanDerWaalsContact O-N 3.13Å; S215-D217 PolarHBondContact OG-N 3.06Å; S215-D217 PolarHBondContact OG-OD2 2.91Å; S215-V218 PolarHBondContact O-N 3.13Å; S215-V218 VanDerWaalsContact O-N 3.08Å
216V73.4Confident78.2Confident105 Ų10570.2 Ų70.264%0.63637%0.372SS*.Hα-helixtrans-57.8-25.5176.1-176.80000111.8V218 L219 Q220V216-V218 PolarHBondContact O-N 3Å; V216-L219 WeakPolarHBondContact O-CB 3.48Å; V216-L219 PolarHBondContact O-N 3.23Å; V216-L219 VanDerWaalsContact O-N 3.08Å; V216-Q220 PolarHBondContact O-N 3.38Å
217D75.9Confident77.8Confident108 Ų10872.5 Ų72.558%0.57838%0.381SS*.Hα-helixtrans-60.1-35.3177.3-53.2-45000112.1S215 L219 Q220 H221S215-D217 PolarHBondContact O-N 2.92Å; S215-D217 VanDerWaalsContact O-N 3.13Å; S215-D217 PolarHBondContact OG-N 3.06Å; S215-D217 PolarHBondContact OG-OD2 2.91Å; D217-L219 VanDerWaalsContact C-N 3.35Å; D217-Q220 PolarHBondContact O-N 3.44Å; D217-H221 WeakPolarHBondContact O-CB 3.43Å; D217-H221 PolarHBondContact O-N 3.46Å
218V75.3Confident77.3Confident41 Ų4173.8 Ų73.825%0.24838%0.383CS..Hα-helixtrans-68.2-37.3177.2-177.60000110.7T81 V209 V214 S215 V216 H221 L222T81-V218 HydrophobicContact CG2-CG1 3.94Å; V209-V218 HydrophobicContact CG1-CB 4.25Å; V209-V218 HydrophobicContact CG1-CG1 4.23Å; V209-V218 HydrophobicContact CG2-CG1 4.08Å; V214-V218 HydrophobicContact CG1-CG2 4.05Å; S215-V218 PolarHBondContact O-N 3.13Å; S215-V218 VanDerWaalsContact O-N 3.08Å; V216-V218 PolarHBondContact O-N 3Å; V218-H221 PolarHBondContact O-N 2.72Å; V218-L222 HydrophobicContact CG1-CD1 4.42Å; V218-L222 WeakPolarHBondContact O-CG 3.37Å; V218-L222 PolarHBondContact O-N 2.8Å
219L72.3Confident76.9Confident31 Ų3177.7 Ų77.716%0.16240%0.403CS..Hα-helixtrans-68.8-36174.8-70.3170.4000112.1A206 V209 K210 V216 D217 R223A206-L219 HydrophobicContact CB-CD2 4.05Å; A206-L219 WeakPolarHBondContact O-CD2 3.49Å; V209-L219 HydrophobicContact CB-CD2 3.8Å; V209-L219 HydrophobicContact CB-CG 4.33Å; V209-L219 HydrophobicContact CG1-CD1 4.35Å; V209-L219 HydrophobicContact CG1-CD2 3.68Å; V209-L219 HydrophobicContact CG1-CG 3.63Å; K210-L219 HydrophobicContact CG-CD1 3.89Å; K210-L219 HydrophobicContact CG-CD2 4.21Å; V216-L219 WeakPolarHBondContact O-CB 3.48Å; V216-L219 PolarHBondContact O-N 3.23Å; V216-L219 VanDerWaalsContact O-N 3.08Å; D217-L219 VanDerWaalsContact C-N 3.35Å; L219-R223 PolarHBondContact O-N 2.99Å
220Q74.6Confident76.4Confident111 Ų11182.6 Ų82.652%0.51943%0.428SS..Hα-helixtrans-67.8-39.8176.2-173.4169.5-600111.1V216 D217 R223V216-Q220 PolarHBondContact O-N 3.38Å; D217-Q220 PolarHBondContact O-N 3.44Å; Q220-R223 PolarHBondContact O-N 3.44Å
221H76.5Confident75.8Confident79 Ų7978.6 Ų78.637%0.36642%0.416SS..Hα-helixtrans-65.7-40.5176.4-162.352.3000112.5L77 D217 V218 R223 Q224L77-H221 VanDerWaalsContact CD1-NE2 3.32Å; L77-H221 WeakPolarHBondContact CD1-NE2 3.28Å; L77-H221 WeakPolarHBondContact CD2-NE2 3.49Å; D217-H221 WeakPolarHBondContact O-CB 3.43Å; D217-H221 PolarHBondContact O-N 3.46Å; V218-H221 PolarHBondContact O-N 2.72Å; H221-R223 PolarHBondContact O-N 3.12Å; H221-Q224 PolarHBondContact O-N 3.38Å; H221-Q224 VanDerWaalsContact O-N 3.12Å
222L77.4Confident75.3Confident9 Ų975.9 Ų75.95%0.04741%0.407CS..Hα-helixtrans-65.1-24.1175.3-72.9170.2000114L78 T81 L202 T205 V209 V218 Q224 L225L78-L222 HydrophobicContact CD1-CD2 4.01Å; T81-L222 HydrophobicContact CG2-CD2 4.25Å; L202-L222 HydrophobicContact CD2-CD2 4.13Å; T205-L222 HydrophobicContact CG2-CD1 3.81Å; T205-L222 HydrophobicContact CG2-CD2 4.11Å; V209-L222 HydrophobicContact CG2-CD1 4.06Å; V218-L222 HydrophobicContact CG1-CD1 4.42Å; V218-L222 WeakPolarHBondContact O-CG 3.37Å; V218-L222 PolarHBondContact O-N 2.8Å; L222-Q224 VanDerWaalsContact C-N 3.33Å; L222-L225 HydrophobicContact CD2-CD1 4.04Å
223R73.8Confident75Confident209 Ų20980.5 Ų80.579%0.78943%0.431SS*.THydrogen-bonded Turntrans-79.8-15174.8-77.5179.2178.5168.3-1.1113.7L219 Q220 H221L219-R223 PolarHBondContact O-N 2.99Å; Q220-R223 PolarHBondContact O-N 3.44Å; H221-R223 PolarHBondContact O-N 3.12Å
224Q76.6Confident75Confident139 Ų13981.3 Ų81.365%0.6541%0.407SS*.  trans-90.7-9.8179.1-68.3172.5-15.600112.5H221 L222H221-Q224 PolarHBondContact O-N 3.38Å; H221-Q224 VanDerWaalsContact O-N 3.12Å; L222-Q224 VanDerWaalsContact C-N 3.33Å
225L71.9Confident74.9Confident49 Ų4985.6 Ų85.626%0.25743%0.425SS..  trans-83.20173.9-79.7172.3000112N74 L77 L202 L222N74-L225 HydrophobicContact CB-CD2 3.74Å; N74-L225 PolarHBondContact ND2-O 3.45Å; N74-L225 WeakPolarHBondContact OD1-CD2 3.41Å; L77-L225 HydrophobicContact CB-CD1 4.5Å; L77-L225 HydrophobicContact CB-CD2 4.11Å; L77-L225 HydrophobicContact CD2-CD1 3.91Å; L77-L225 HydrophobicContact CD2-CD2 3.51Å; L77-L225 HydrophobicContact CD2-CG 3.81Å; L77-L225 HydrophobicContact CG-CD1 4.06Å; L77-L225 HydrophobicContact CG-CD2 4.16Å; L77-L225 HydrophobicContact CG-CG 4.47Å; L202-L225 HydrophobicContact CD1-CB 4.5Å; L202-L225 HydrophobicContact CD2-CB 4.11Å; L202-L225 HydrophobicContact CD2-CD1 4.12Å; L222-L225 HydrophobicContact CD2-CD1 4.04Å

Retrieved 225 of 225 residues in 170.9 ms (Link to these results)