A0A093HNN0_STRCA Loading...

Nuclear pore complex protein Nup50

Component of the nuclear pore complex that has a direct role in nuclear protein import. Actively displaces NLSs from importin-alpha, and facilitates disassembly of the importin-alpha:beta-cargo complex and importin recycling. Interacts with regulatory proteins of cell cycle progression including CDKN1B. This interaction is required for correct intracellular transport and degradation of CDKN1B.

AlphaFold DB , UniProt , Accession A0A093HNN0, Species STRCA (Struthio camelus australis), Gene n/a, Length 470 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
1M44.9Very low71.3Confident241 Ų241146.9 Ų146.9100%1.18775%0.745SS**  0133.70-62.9170.3-175.700107.1
2A63.1Low72.3Confident103 Ų103147 Ų14785%0.85175%0.749SS**PPolyproline II helixtrans-67.8137.5168.400000108.8
3K71.1Confident73.1Confident201 Ų201153.1 Ų153.187%0.87476%0.757SS**PPolyproline II helixtrans-75.2132167-64-177.8-179.7-179.50107
4R68.9Low73.4Confident236 Ų236143.6 Ų143.689%0.89171%0.711SS**PPolyproline II helixtrans-67.9132.6166.1-76.4-171.5-76.6138.9-5.3108.2
5I74.5Confident74.1Confident151 Ų151145.7 Ų145.777%0.77471%0.708SS**PPolyproline II helixtrans-84.5162.9164.155.6177000108.4
6A73.7Confident74.7Confident78 Ų78144.6 Ų144.665%0.64571%0.706SS**PPolyproline II helixtrans-70.3142.6170.300000109.9
7E73.6Confident75Confident160 Ų160142.5 Ų142.575%0.74870%0.695SS**SBendtrans-81.8-20.5179.143.7-84.4102.600114.4
8K75.1Confident74.8Confident94 Ų94145.4 Ų145.441%0.40971%0.707SS.*SBendtrans-129.5132.7176.3-171.3175.6170.8-169.40110.4N14 D19K8-N14 WeakPolarHBondContact CE-ND2 3.44Å; K8-D19 VanDerWaalsContact CD-OD1 3.27Å; K8-D19 WeakPolarHBondContact CD-OD1 3.1Å; K8-D19 VanDerWaalsContact CE-OD1 3.29Å; K8-D19 WeakPolarHBondContact CE-OD1 3.4Å; K8-D19 IonicContact NZ-OD1 2.67Å; K8-D19 PolarHBondContact NZ-OD1 2.96Å
9E75.6Confident74.6Confident159 Ų159143.3 Ų143.374%0.74370%0.699SS**  trans-96.3117.9179-170.4168.8-156.600110.4T11 N14E9-T11 HydrophobicContact CG-CG2 4.32Å; E9-T11 PolarHBondContact O-N 2.65Å; E9-N14 PolarHBondContact O-ND2 2.99Å
10L81.1Confident74.2Confident120 Ų120145.3 Ų145.363%0.62871%0.707SS**  trans-77.5123.3177.2-157.780.7000109.4
11T82.5Confident73.6Confident73 Ų73142.9 Ų142.945%0.44871%0.71SS.*  trans-131.8164.5-17952.20000110.2E9 R13 N14 W15E9-T11 HydrophobicContact CG-CG2 4.32Å; E9-T11 PolarHBondContact O-N 2.65Å; T11-R13 PolarHBondContact O-N 3.36Å; T11-N14 CarbonylContact O-C 3.52Å; T11-N14 WeakPolarHBondContact O-CA 3.32Å; T11-N14 PolarHBondContact O-N 3.46Å; T11-N14 WeakPolarHBondContact OG1-CB 3.45Å; T11-W15 PolarHBondContact O-N 3.05Å; T11-W15 VanDerWaalsContact O-N 3.11Å
12D84Confident74.5Confident148 Ų148138.9 Ų138.979%0.79169%0.689SS**THydrogen-bonded Turntrans-53.2-22.9-179.3-172.558.9000114.4
13R82.1Confident74.4Confident226 Ų226142.6 Ų142.685%0.85369%0.689SS**THydrogen-bonded Turntrans-99.82.6176.5-63.1-174.6173.8-165.7-3.6114.8T11 Q17T11-R13 PolarHBondContact O-N 3.36Å; R13-Q17 PolarHBondContact O-NE2 3.13Å
14N77.1Confident73.8Confident21 Ų21139.4 Ų139.411%0.11269%0.686CS.*THydrogen-bonded Turntrans-126.70.1-174.2-16526.5000111.7K8 E9 T11 D16 Q17K8-N14 WeakPolarHBondContact CE-ND2 3.44Å; E9-N14 PolarHBondContact O-ND2 2.99Å; T11-N14 CarbonylContact O-C 3.52Å; T11-N14 WeakPolarHBondContact O-CA 3.32Å; T11-N14 PolarHBondContact O-N 3.46Å; T11-N14 WeakPolarHBondContact OG1-CB 3.45Å; N14-D16 PolarHBondContact O-N 3.48Å; N14-Q17 VanDerWaalsContact OD1-CD 3.32Å; N14-Q17 PolarHBondContact OD1-OE1 3.2Å
15W84.6Confident73.5Confident174 Ų174130.9 Ų130.966%0.65967%0.671SS**THydrogen-bonded Turntrans-69.5-31.6-174.591.7-94000113.3T11T11-W15 PolarHBondContact O-N 3.05Å; T11-W15 VanDerWaalsContact O-N 3.11Å
16D84.1Confident72.9Confident128 Ų128129.5 Ų129.568%0.68467%0.67SS**THydrogen-bonded Turntrans-100.114-175.7-148.721.6000111.9N14N14-D16 PolarHBondContact O-N 3.48Å
17Q79.5Confident72.4Confident110 Ų110135.3 Ų135.351%0.51468%0.681SS.*SBendtrans-97.5113.2172.1-63.4-175.436.900108.3R13 N14 D19R13-Q17 PolarHBondContact O-NE2 3.13Å; N14-Q17 VanDerWaalsContact OD1-CD 3.32Å; N14-Q17 PolarHBondContact OD1-OE1 3.2Å; Q17-D19 PolarHBondContact O-N 3.28Å
18E71.1Confident72.3Confident195 Ų195133.2 Ų133.291%0.91168%0.684SS**PPolyproline II helixtrans-55.1126.9173.4-64.9-171.5140.300109.9E20E18-E20 PolarHBondContact O-N 3.44Å
19D70.3Confident72.5Confident104 Ų104134.9 Ų134.956%0.55670%0.702SS**PPolyproline II helixtrans-65.9119.1174.3-80.5-38.3000109.3K8 Q17 A21K8-D19 VanDerWaalsContact CD-OD1 3.27Å; K8-D19 WeakPolarHBondContact CD-OD1 3.1Å; K8-D19 VanDerWaalsContact CE-OD1 3.29Å; K8-D19 WeakPolarHBondContact CE-OD1 3.4Å; K8-D19 IonicContact NZ-OD1 2.67Å; K8-D19 PolarHBondContact NZ-OD1 2.96Å; Q17-D19 PolarHBondContact O-N 3.28Å; D19-A21 PolarHBondContact O-N 3.18Å; D19-A21 VanDerWaalsContact O-N 3.13Å
20E67.4Low72.6Confident183 Ų183129.1 Ų129.186%0.85568%0.681SS**PPolyproline II helixtrans-56.1119.8175.8-174.6169.5-158.300108.9E18 E22E18-E20 PolarHBondContact O-N 3.44Å; E20-E22 PolarHBondContact O-N 2.78Å
21A61.2Low72.7Confident95 Ų95126.6 Ų126.679%0.78567%0.673SS**  trans-71.590.4-168.700000110.9D19 E23D19-A21 PolarHBondContact O-N 3.18Å; D19-A21 VanDerWaalsContact O-N 3.13Å; A21-E23 PolarHBondContact O-N 3.38Å; A21-E23 VanDerWaalsContact O-N 3.16Å
22E63.8Low72.5Confident158 Ų158128.4 Ų128.474%0.73868%0.677SS**  trans-50.5122.8175.7-74.9-159147.200110.5E20 V24E20-E22 PolarHBondContact O-N 2.78Å; E22-V24 PolarHBondContact O-N 3.22Å
23E60.4Low72.2Confident181 Ų181128.1 Ų128.185%0.84667%0.671SS**  trans-64.5104.7-178.1-173.6177.5-157.800109.3A21 G25A21-E23 PolarHBondContact O-N 3.38Å; A21-E23 VanDerWaalsContact O-N 3.16Å; E23-G25 PolarHBondContact O-N 3.43Å
24V59.9Low72.3Confident134 Ų134121 Ų12181%0.81265%0.652SS**  trans-58.1101.2-176.4-1790000109.4E22 T26E22-V24 PolarHBondContact O-N 3.22Å; V24-T26 PolarHBondContact O-N 2.94Å
25G62.3Low72.5Confident56 Ų56122.5 Ų122.558%0.57766%0.66SS**  trans-49107.6-164.200000113.2E23 F27E23-G25 PolarHBondContact O-N 3.43Å; G25-F27 PolarHBondContact O-N 3.45Å
26T60.7Low72.4Confident122 Ų122121.1 Ų121.175%0.74866%0.658SS**  trans-66.7111.2-178.3-71.50000109.3V24 S28V24-T26 PolarHBondContact O-N 2.94Å; T26-S28 PolarHBondContact O-N 3.02Å
27F64.6Low72.5Confident201 Ų201122 Ų12288%0.88266%0.663SS**  trans-65.2100.3176.4-85.1-91.9000110.4G25 V29G25-F27 PolarHBondContact O-N 3.45Å; F27-V29 PolarHBondContact O-N 3.04Å
28S70.4Confident72.8Confident116 Ų116124.7 Ų124.781%0.81167%0.669SS**  trans-53.4109.7174.2-61.60000111.1T26 A30T26-S28 PolarHBondContact O-N 3.02Å; S28-A30 PolarHBondContact O-N 2.88Å
29V79.5Confident73.5Confident129 Ų129119.7 Ų119.778%0.78266%0.661SS**PPolyproline II helixtrans-63.2122.9171.8179.90000107.7F27 L35F27-V29 PolarHBondContact O-N 3.04Å; V29-L35 HydrophobicContact CG1-CD1 4.4Å
30A78.1Confident74Confident37 Ų37120.9 Ų120.931%0.30667%0.666SS.*PPolyproline II helixtrans-58.3144.8178.500000110.6S28 V34 L35S28-A30 PolarHBondContact O-N 2.88Å; A30-V34 HydrophobicContact CB-CB 4.21Å; A30-V34 HydrophobicContact CB-CG1 3.96Å; A30-L35 HydrophobicContact CB-CD2 4.3Å; A30-L35 HydrophobicContact CB-CG 4.48Å; A30-L35 WeakPolarHBondContact O-CD1 3.36Å
31S83.6Confident74.8Confident67 Ų67122 Ų12247%0.46967%0.668SS.*PPolyproline II helixtrans-57.4150.2-178.8610000111.7E33 V34 L35S31-E33 PolarHBondContact O-N 3.24Å; S31-V34 WeakPolarHBondContact O-CA 3.49Å; S31-V34 WeakPolarHBondContact O-CB 3.06Å; S31-V34 PolarHBondContact O-N 2.67Å; S31-V34 WeakPolarHBondContact OG-CG2 3.3Å; S31-L35 PolarHBondContact O-N 2.78Å
32E77.6Confident75.7Confident111 Ų111126.4 Ų126.452%0.51967%0.669SS.*Hα-helixtrans-54.2-30.3-175.9175.162.1-170.800113.1L35 K36E32-L35 PolarHBondContact O-N 2.97Å; E32-K36 HydrophobicContact CG-CD 4.17Å; E32-K36 WeakPolarHBondContact O-CB 3.46Å; E32-K36 WeakPolarHBondContact O-CD 3.38Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.36Å; E32-K36 PolarHBondContact O-N 3.44Å; E32-K36 WeakPolarHBondContact OE1-CE 3.26Å; E32-K36 IonicContact OE1-NZ 3.2Å; E32-K36 PolarHBondContact OE1-NZ 2.95Å
33E78.9Confident76.3Confident143 Ų143123.5 Ų123.567%0.66867%0.673SS**Hα-helixtrans-68.6-42.2173.7-63.3173.1176.600112.5S31 L35 K36 N37S31-E33 PolarHBondContact O-N 3.24Å; E33-L35 VanDerWaalsContact C-N 3.31Å; E33-K36 PolarHBondContact O-N 2.8Å; E33-N37 WeakPolarHBondContact O-CB 3.46Å; E33-N37 VanDerWaalsContact O-CG 3.31Å; E33-N37 PolarHBondContact O-N 3.38Å; E33-N37 PolarHBondContact O-ND2 2.95Å; E33-N37 VanDerWaalsContact O-ND2 3.1Å
34V82.6Confident77.2Confident75 Ų75123.6 Ų123.646%0.45567%0.67SS.*Hα-helixtrans-68.4-33174.81760000110.9A30 S31 R38A30-V34 HydrophobicContact CB-CB 4.21Å; A30-V34 HydrophobicContact CB-CG1 3.96Å; S31-V34 WeakPolarHBondContact O-CA 3.49Å; S31-V34 WeakPolarHBondContact O-CB 3.06Å; S31-V34 PolarHBondContact O-N 2.67Å; S31-V34 WeakPolarHBondContact OG-CG2 3.3Å; V34-R38 PolarHBondContact O-N 3.19Å
35L81.1Confident77.7Confident53 Ų53128 Ų12828%0.27767%0.672SS.*Hα-helixtrans-68.8-44172.4-65.8177000112V29 A30 S31 E32 E33 N37 R38V29-L35 HydrophobicContact CG1-CD1 4.4Å; A30-L35 HydrophobicContact CB-CD2 4.3Å; A30-L35 HydrophobicContact CB-CG 4.48Å; A30-L35 WeakPolarHBondContact O-CD1 3.36Å; S31-L35 PolarHBondContact O-N 2.78Å; E32-L35 PolarHBondContact O-N 2.97Å; E33-L35 VanDerWaalsContact C-N 3.31Å; L35-N37 VanDerWaalsContact C-N 3.33Å; L35-N37 PolarHBondContact O-N 3.14Å; L35-R38 VanDerWaalsContact O-CB 3.32Å; L35-R38 WeakPolarHBondContact O-CB 3.37Å; L35-R38 PolarHBondContact O-N 2.92Å
36K82.4Confident77.7Confident145 Ų145136.5 Ų136.563%0.6369%0.687SS**Hα-helixtrans-60.8-38.7174.8-80.2164.3172.4147.30113.1E32 E33 R38E32-K36 HydrophobicContact CG-CD 4.17Å; E32-K36 WeakPolarHBondContact O-CB 3.46Å; E32-K36 WeakPolarHBondContact O-CD 3.38Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.36Å; E32-K36 PolarHBondContact O-N 3.44Å; E32-K36 WeakPolarHBondContact OE1-CE 3.26Å; E32-K36 IonicContact OE1-NZ 3.2Å; E32-K36 PolarHBondContact OE1-NZ 2.95Å; E33-K36 PolarHBondContact O-N 2.8Å; K36-R38 PolarHBondContact O-N 3.35Å
37N87.4Confident77.3Confident147 Ų147137.8 Ų137.879%0.78669%0.689SS**THydrogen-bonded Turntrans-73.7-3.8175.1-71-34.7000113.6E33 L35E33-N37 WeakPolarHBondContact O-CB 3.46Å; E33-N37 VanDerWaalsContact O-CG 3.31Å; E33-N37 PolarHBondContact O-N 3.38Å; E33-N37 PolarHBondContact O-ND2 2.95Å; E33-N37 VanDerWaalsContact O-ND2 3.1Å; L35-N37 VanDerWaalsContact C-N 3.33Å; L35-N37 PolarHBondContact O-N 3.14Å
38R85.4Confident76.5Confident166 Ų166134.1 Ų134.163%0.62668%0.683SS**SBendtrans-98.4126.2-178.9-140.3171.5-170.8169.83.5111V34 L35 K36 I40V34-R38 PolarHBondContact O-N 3.19Å; L35-R38 VanDerWaalsContact O-CB 3.32Å; L35-R38 WeakPolarHBondContact O-CB 3.37Å; L35-R38 PolarHBondContact O-N 2.92Å; K36-R38 PolarHBondContact O-N 3.35Å; R38-I40 VanDerWaalsContact C-N 3.34Å; R38-I40 PolarHBondContact O-N 3Å
39A84.8Confident75.4Confident91 Ų91132 Ų13275%0.75268%0.679SS**  trans-73.576.9-178.100000113.5K41A39-K41 PolarHBondContact O-N 3.48Å
40I81.9Confident73.5Confident129 Ų129131.7 Ų131.766%0.66268%0.683SS**  trans-74.694.4-178.5-60.9163.9000110.7R38 K42R38-I40 VanDerWaalsContact C-N 3.34Å; R38-I40 PolarHBondContact O-N 3Å; I40-K42 PolarHBondContact O-N 3.38Å
41K84.4Confident71.9Confident206 Ų206139 Ų13990%0.89671%0.71SS**  trans-76.888.9177.4-68.3-175.9-180178.60112A39A39-K41 PolarHBondContact O-N 3.48Å
42K78.9Confident69.9Low187 Ų187141.3 Ų141.381%0.81373%0.727SS**  trans-78.4119.1175-168.8175-179.2179.90111.1I40 K44I40-K42 PolarHBondContact O-N 3.38Å; K42-K44 PolarHBondContact O-N 2.85Å; K42-K44 VanDerWaalsContact O-N 3.15Å
43A78Confident68.5Low98 Ų98145.1 Ų145.181%0.8175%0.745SS**  trans-68.5108.8-17900000111.9R45A43-R45 PolarHBondContact O-N 2.88Å
44K78.6Confident67Low182 Ų182144.5 Ų144.579%0.79176%0.756SS**  trans-82109.3-178.3-172.7157.4-175.4164.10111.4K42K42-K44 PolarHBondContact O-N 2.85Å; K42-K44 VanDerWaalsContact O-N 3.15Å
45R69.6Low65.2Low226 Ų226144.5 Ų144.585%0.85377%0.771SS**  trans-66.2143.5166.2-56.5-175.197.2-162.97.2109A43A43-R45 PolarHBondContact O-N 2.88Å
46R63.4Low64.2Low236 Ų236145.3 Ų145.389%0.89179%0.793SS**SBendtrans-68142.9178.8-158.8179-67.4162.6-0.3109.6
47N51.3Low63.4Low149 Ų149143.1 Ų143.180%0.79780%0.802SS**  trans66.483.5-177.5-63.821.7000116.7
48V49.1Very low62Low124 Ų124145.5 Ų145.575%0.75281%0.805SS**  trans-149.3149.4133.5-101.50000108.6
49G47.1Very low60.8Low70 Ų70147.4 Ų147.472%0.72282%0.818SS**  trans-77.2-168.7-175.500000114.6
50S40.2Very low59.4Low124 Ų124146.5 Ų146.587%0.86782%0.817SS**  trans-61.9148173.645.90000112.4
51E43.3Very low58.1Low189 Ų189149.8 Ų149.888%0.88383%0.827SS**  trans-81.7138.4-174.4-61-178.7150.300112.2
52S41.9Very low56.8Low117 Ų117149.1 Ų149.182%0.81882%0.824SS**  trans-139.2160.8156.462.50000107.8
53E47.3Very low55.4Low191 Ų191142.8 Ų142.889%0.89381%0.812SS**SBendtrans-60.9154.8-164.1-68.2172.869.200116.4
54S49.2Very low54.5Low129 Ų129147.9 Ų147.990%0.90282%0.816SS**  trans69.5110.8162.8-159.90000118.3
55G42.9Very low52.6Low75 Ų75146.7 Ų146.777%0.77382%0.817SS**  trans165.1104.3167.500000115
56G62Low51.2Low71 Ų71143.6 Ų143.673%0.73282%0.816SS**  trans-66132.8179.400000114.2F58G56-F58 PolarHBondContact O-N 3.47Å
57A64.5Low50.3Low99 Ų99137.3 Ų137.382%0.81881%0.806SS**THydrogen-bonded Turntrans-76.527.9-164.900000117.1
58F58.7Low49.6Very low196 Ų196136.5 Ų136.586%0.8681%0.812SS**THydrogen-bonded Turntrans-112.73.2-176.5-70.7-78.1000115G56 G60G56-F58 PolarHBondContact O-N 3.47Å; F58-G60 PolarHBondContact O-N 2.87Å; F58-G60 VanDerWaalsContact O-N 3.07Å
59K58.8Low48.8Very low207 Ų207134.1 Ų134.190%0.981%0.813SS**THydrogen-bonded Turntrans-768.1-175.5-146.4166.4-174.7173.80115.2
60G55.6Low48.2Very low71 Ų71140.9 Ų140.973%0.73282%0.823SS**THydrogen-bonded Turntrans-96-18.4-171.600000116.7F58 K62F58-G60 PolarHBondContact O-N 2.87Å; F58-G60 VanDerWaalsContact O-N 3.07Å; G60-K62 VanDerWaalsContact C-N 3.25Å; G60-K62 PolarHBondContact O-N 2.8Å
61F56.1Low47.8Very low199 Ų199139.8 Ų139.887%0.87382%0.821SS**  trans-8460.3-173.7-155.3-94000112.8G63F61-G63 PolarHBondContact O-N 3.33Å
62K56.3Low47.3Very low191 Ų191134.6 Ų134.683%0.8382%0.818SS**  trans-85.850.4-176.5-155.8-175.3-179-172.40112.4G60G60-K62 VanDerWaalsContact C-N 3.25Å; G60-K62 PolarHBondContact O-N 2.8Å
63G50.5Low46.8Very low54 Ų54133.1 Ų133.156%0.55782%0.822SS**  trans-99.75.9-157.100000119.2F61F61-G63 PolarHBondContact O-N 3.33Å
64F58.2Low46.3Very low206 Ų206127.7 Ų127.790%0.90482%0.817SS**SBendtrans-158.437.3174.5-139.5-93.4000116.9
65I38.8Very low45.7Very low156 Ų156131.7 Ų131.780%0.882%0.819SS**  trans-132.2122.8169.8-62.2-176.5000111.6
66L40.6Very low45.6Very low161 Ų161133.2 Ų133.284%0.84382%0.817SS**PPolyproline II helixtrans-72.1124.4174.3175.469.2000111.5
67P45Very low44.6Very low105 Ų105132.6 Ų132.668%0.68281%0.811SS**PPolyproline II helixtrans-90.3132.3168.933.5-30.2000111.7
68S35.5Very low43.4Very low131 Ų131138.6 Ų138.692%0.91682%0.819SS**PPolyproline II helixtrans-70.1135.6162.9-177.70000110.1
69G33.2Very low42.2Very low75 Ų75132.3 Ų132.377%0.77381%0.81SS**  trans-170.4105.8-178.900000112
70K33.8Very low41.3Very low212 Ų212131.1 Ų131.192%0.92281%0.813SS**  trans-97.7116.6-167.3171.1-173.2175.4-179.20112.8
71A32.6Very low40.3Very low100 Ų100130.2 Ų130.283%0.82680%0.804SS**  trans-177.5147.6144.900000112.5
72G31.1Very low39.5Very low81 Ų81126.1 Ų126.184%0.83581%0.807SS**  trans92.1113.2167.800000115.2
73G32.5Very low38.6Very low86 Ų86120.3 Ų120.389%0.88780%0.801SS**  trans-82.5177.7178.300000114
74G36.9Very low38.2Very low77 Ų77125.7 Ų125.779%0.79482%0.815SS**  cis161.7156-300000111.9
75F36.3Very low37.8Very low213 Ų213125.2 Ų125.293%0.93481%0.813SS**  trans-151.1163.5170.4-161.3-107.2000110.9
76S41.4Very low38Very low107 Ų107124 Ų12475%0.74882%0.816SS**  trans-109.6154.7-169.4-172.90000113
77G39.9Very low38.1Very low57 Ų57123.9 Ų123.959%0.58882%0.815SS**  trans156.997.816400000115.9
78F40.4Very low37.5Very low225 Ų225127.5 Ų127.599%0.98782%0.822SS**  trans56.3138.7162.8-67.2-101.5000118.5
79G33.4Very low37.4Very low65 Ų65124.5 Ų124.567%0.6781%0.813SS**  cis157.8140.5-6.200000111.6
80N39.5Very low37.9Very low181 Ų181129 Ų12997%0.96882%0.818SS**  trans69.5139.8178.4-15859.2000115.8
81G34.4Very low37.8Very low53 Ų53124.2 Ų124.255%0.54681%0.811SS.*  cis174.9146.5-7.600000111.6
82A39.7Very low38.1Very low113 Ų113127.1 Ų127.193%0.93481%0.813SS**  trans62.6149.2-166.900000114.3
83G36.5Very low38.1Very low69 Ų69126.4 Ų126.471%0.71181%0.805SS**  cis124.7129.413.800000108.2
84I42.1Very low38.1Very low167 Ų167128.1 Ų128.186%0.85680%0.804SS**  cis-155.816216.546.9173.1000112.1
85K50.8Low37.9Very low195 Ų195130.2 Ų130.285%0.84881%0.806SS**  trans6.3144.7161.5-56179.6-178.6-179.40121.9
86P42.7Very low37.7Very low132 Ų132125.3 Ų125.386%0.85780%0.798SS**  -113.616912536.2-32.9000113
87L42.4Very low37.3Very low158 Ų158126.8 Ų126.883%0.82780%0.803SS**  trans-131.3166.8-176.6-173.659.1000112.1
88E33.4Very low36.9Very low180 Ų180128.5 Ų128.584%0.84181%0.811SS**  trans-84.4167.8-167.5-58.7158.59400117
89G33.1Very low36.5Very low69 Ų69123.8 Ų123.871%0.71181%0.806SS**  trans105.1143.615200000116.4
90L42.3Very low36.6Very low168 Ų168126.7 Ų126.788%0.8881%0.811SS**  cis-145.8149.3-7.5-65.4169.8000106.9
91S32.7Very low36.8Very low112 Ų112124.4 Ų124.478%0.78381%0.806SS**  42.2135.781.8-99.50000116.1
92N38.2Very low36.4Very low162 Ų162127.7 Ų127.787%0.86682%0.82SS**  cis-163.7156.24.7-174.521.8000112.7
93G31.1Very low36.1Very low65 Ų65131.4 Ų131.467%0.6782%0.816SS**  trans82.8163.2157.500000118.9
94S32.2Very low35.8Very low123 Ų123134 Ų13486%0.8682%0.823SS**  cis-169.9126.3-19.6-176.50000111.9
95S33.8Very low35.1Very low121 Ų121130.8 Ų130.885%0.84682%0.816SS**  trans-165.5135150.951.90000112.1
96S32.7Very low34Very low109 Ų109129.1 Ų129.176%0.76282%0.815SS**  trans-88.2168.3172.253.90000110
97V31.4Very low33.4Very low139 Ų139131.7 Ų131.784%0.84281%0.813SS**  cis-144.2168.235.5-71.20000113
98A33Very low32.7Very low93 Ų93129.4 Ų129.477%0.76981%0.806SS**  trans-99.7160.2-175.900000113.9
99S32Very low32.4Very low125 Ų125126.8 Ų126.887%0.87480%0.802SS**  trans-163.2151.1139.3-84.60000112.1
100T35.3Very low32.3Very low127 Ų127129.1 Ų129.178%0.77981%0.807SS**  trans-95.1149.1-176.951.50000112.9
101P42.5Very low31.8Very low132 Ų132130 Ų13086%0.85781%0.807SS**  trans-86.6130.2153.733.4-28.4000110.7
102S25.8Very low31.7Very low122 Ų122130.2 Ų130.285%0.85380%0.804SS**  trans-142159.4165.1-167.60000109.9
103F34.8Very low31.4Very low192 Ų192130.7 Ų130.784%0.84280%0.801SS**  trans-121.5131-157.7-160.6-83.4000111.3
104S29Very low31.3Very low123 Ų123136.1 Ų136.186%0.8681%0.811SS**  trans-164.9151.9167.3-93.10000114.6
105S28.3Very low31.3Very low100 Ų100134.1 Ų134.170%0.69980%0.802SS**  trans-89.9168.5-164.5-48.60000115.6
106L28.2Very low31Very low159 Ų159139 Ų13983%0.83281%0.809SS**  trans152.6126.8135.4-78.1160.1000108.7
107K30.3Very low30.7Very low187 Ų187136.8 Ų136.881%0.81380%0.802SS**  51.9137.973.2-75.3-164.2174.4-173.40113.4
108T26.4Very low30.7Very low110 Ų110136.1 Ų136.168%0.67580%0.804SS**  cis-162.8147.630.6-180000114.8
109T26.8Very low30.7Very low124 Ų124135.4 Ų135.476%0.76180%0.798SS**  trans39.1134145.450.60000126.2
110S31Very low30.6Very low119 Ų119138.3 Ų138.383%0.83280%0.8SS**  trans17297.1132.9-73.40000108.4
111E32.5Very low30.3Very low186 Ų186136.7 Ų136.787%0.86979%0.794SS**  69.8119.772.3-171.5167.5-140.500116.5
112T30.9Very low29.8Very low117 Ų117137.8 Ų137.872%0.71879%0.793SS**  trans167.5120.1135.9-72.80000113.7
113Q32.4Very low29.9Very low171 Ų171135.3 Ų135.380%0.79979%0.786SS**  trans57.2123.7154.7-69.7-177.7-24.700121.3
114M28.8Very low30.2Very low179 Ų179132.7 Ų132.788%0.88279%0.788SS**  81.6153.968.8-65.8-95.2-161.500114.7
115A30.7Very low30.2Very low82 Ų82133.2 Ų133.268%0.67879%0.787SS**  cis178.9112-3600000110.1
116F27.5Very low30.2Very low224 Ų224132.5 Ų132.598%0.98279%0.787SS**  trans-169.2158.5166.6-148.4-110.9000108.2
117G27.7Very low30.2Very low61 Ų61131.3 Ų131.363%0.62979%0.787SS**  cis177.5158.6-4.500000107.6
118S29.9Very low30Very low125 Ų125127 Ų12787%0.87479%0.785SS**  trans-111.8164.2-157.8-161.30000116.7
119A33.6Very low30Very low79 Ų79131.3 Ų131.365%0.65380%0.795SS**  trans96.9134142.500000122.1
120M30.3Very low30.1Very low186 Ų186132.7 Ų132.792%0.91680%0.804SS**  trans66.5147.6140.9-82.2174.9173.300119.9
121S29.6Very low29.9Very low93 Ų93134 Ų13465%0.6580%0.797SS**  cis-162.6173.53.151.40000112.6
122N31.1Very low29.8Very low155 Ų155132.4 Ų132.483%0.82979%0.787SS**  trans45.4128148.7-59.7-1.4000122.2
123G27.9Very low29.6Very low70 Ų70135.8 Ų135.872%0.72279%0.792SS**  trans-80-179152.600000112.6
124P40.5Very low29.3Very low136 Ų136132.2 Ų132.288%0.88379%0.791SS**  -147.8175.397.637.1-19000118.3
125T29Very low29.1Very low134 Ų134128.7 Ų128.782%0.82279%0.791SS**  trans-47155-173.8-6.30000123
126A29.5Very low29Very low85 Ų85130 Ų13070%0.70280%0.795SS**  trans73.6143.4141.200000119.5
127T28Very low29.7Very low135 Ų135124.7 Ų124.783%0.82878%0.783SS**  -164.1176.85241.50000113.9
128A25.6Very low29.6Very low95 Ų95131.2 Ų131.279%0.78579%0.794SS**  trans83.6125.115200000122.2
129F27.6Very low29.4Very low202 Ų202129.7 Ų129.789%0.88679%0.789SS**  trans-67.7158.2173.5-69.7-115.2000114.6
130T28.6Very low29Very low153 Ų153133.9 Ų133.994%0.93980%0.8SS**  trans-159.8-178.6131.30.60000112.6
131E26.2Very low28.8Very low146 Ų146128.5 Ų128.568%0.68279%0.792SS**  trans-122.9172.7-153-143.9-154.2146.100114.9
132K29.8Very low28.7Very low153 Ų153127.5 Ų127.567%0.66580%0.797SS**  trans73.7115.8152.8-83.7173.717669.90122.4
133K26.9Very low28.7Very low188 Ų188126.3 Ų126.382%0.81780%0.8SS**  78.897.4114.6-163.8-178.6179.1-176.80120.8
134A27.3Very low29.4Very low96 Ų96129.8 Ų129.879%0.79380%0.798SS**  trans24124.9131.600000121.9
135A24.5Very low29.5Very low105 Ų105129 Ų12987%0.86879%0.793SS**  trans-152.1147.6136.300000111.1
136S29.1Very low29.7Very low109 Ų109127 Ų12776%0.76278%0.784SS**  trans-99.8169.3158.473.10000107.6
137P42Very low30.1Very low113 Ų113128.2 Ų128.273%0.73479%0.788SS**  -159.1174.556.645.7-24.4000119.7
138K25.7Very low30.3Very low198 Ų198127.6 Ų127.686%0.86179%0.789SS**  trans88.9136.5136.8-155.7158.8-175.3172.60121.8
139A24.7Very low31Very low92 Ų92126.1 Ų126.176%0.7678%0.783SS**  trans73.4150156.200000119.5
140N24.8Very low31.2Very low168 Ų168127 Ų12790%0.89878%0.782SS**  cis-163.4159.9-31.3-168.823.7000108.8
141G27.8Very low31.7Very low72 Ų72124.7 Ų124.774%0.74277%0.772SS**  trans105.1127.117200000113.1
142G27.2Very low32.5Very low73 Ų73125.9 Ų125.975%0.75378%0.778SS**  trans-142.7-175.6176.500000111.4
143S30.9Very low33.4Very low129 Ų129123.3 Ų123.390%0.90278%0.779SS**  trans-153.9122.1164.3-74.70000109.7
144Q41.9Very low34.4Very low143 Ų143122.7 Ų122.767%0.66878%0.776SS**  trans-76.5161.4163.9-97.3-97.1-86.900109.3S146Q144-S146 PolarHBondContact OE1-OG 3.22Å
145P43.4Very low34.9Very low120 Ų120126 Ų12678%0.77978%0.777SS**  -119.2149.193.5-7.827.5000115.1
146S33.3Very low36.1Very low92 Ų92124.7 Ų124.764%0.64376%0.761SS**  trans-82.8-175.4161.9-23.20000109.3Q144Q144-S146 PolarHBondContact OE1-OG 3.22Å
147S37.5Very low37.7Very low111 Ų111121.4 Ų121.478%0.77674%0.738SS**  cis-163.3147.6-6177.10000107.4
148S32.2Very low39.2Very low122 Ų122118.8 Ų118.885%0.85372%0.722SS**  trans-156.5112.7144.952.90000110.1
149G39.4Very low41.9Very low64 Ų64111.6 Ų111.666%0.6670%0.697SS**  trans-99.6124.9-178.900000112.2
150Y31.8Very low45.1Very low220 Ų220109.8 Ų109.886%0.86368%0.676SS**  trans-147.8132.8155.9-94.3-77.5000109.9Q152Y150-Q152 PolarHBondContact O-N 2.79Å
151S39.9Very low48.4Very low104 Ų104104.4 Ų104.473%0.72764%0.644SS**  trans47.155.2156.7-52.50000119.7S153S151-S153 PolarHBondContact O-N 3.16Å
152Q42.3Very low51.5Low172 Ų172106.5 Ų106.580%0.80463%0.634SS**  trans-78.8-8.5178.4-74.7-170.4-19.200116.6Y150 K154Y150-Q152 PolarHBondContact O-N 2.79Å; Q152-K154 PolarHBondContact O-N 3.2Å
153S48.6Very low54.7Low99 Ų99109.4 Ų109.469%0.69263%0.626SS**Hα-helixtrans-60.8-47.4-173.152.20000113.9S151 S157S151-S153 PolarHBondContact O-N 3.16Å; S153-S157 PolarHBondContact O-N 2.86Å; S153-S157 PolarHBondContact O-OG 3.42Å
154K49Very low57.7Low174 Ų174107 Ų10776%0.75760%0.601SS**Hα-helixtrans-75-26.7-169.3-161.3174.2-175.71800114.8Q152 S157Q152-K154 PolarHBondContact O-N 3.2Å; K154-S157 PolarHBondContact O-OG 3.47Å
155M37.6Very low60.3Low165 Ų165101.9 Ų101.981%0.81358%0.577SS**Hα-helixtrans-82.6-29.8179.1-159.4172.5-166.700112S159M155-S159 PolarHBondContact O-N 3.26Å
156C48.6Very low62.8Low79 Ų7998.5 Ų98.553%0.53456%0.56SS.*Hα-helixtrans-71.4-45.7177.2-158.60000111.6S159 V160C156-S159 WeakPolarHBondContact O-CB 3.31Å; C156-S159 PolarHBondContact O-N 3.37Å; C156-S159 VanDerWaalsContact O-N 3.16Å; C156-S159 PolarHBondContact O-OG 3.26Å; C156-V160 PolarHBondContact O-N 3.4Å
157S62.8Low65.8Low40 Ų4096.7 Ų96.728%0.2855%0.55SS.*Hα-helixtrans-59.5-49.5179.656.80000112.6S153 K154 S159 V160 Y161 H206S153-S157 PolarHBondContact O-N 2.86Å; S153-S157 PolarHBondContact O-OG 3.42Å; K154-S157 PolarHBondContact O-OG 3.47Å; S157-S159 PolarHBondContact O-N 2.79Å; S157-V160 CarbonylContact O-C 3.41Å; S157-V160 WeakPolarHBondContact O-CA 3.39Å; S157-V160 PolarHBondContact O-N 3.09Å; S157-Y161 PolarHBondContact O-N 2.89Å; S157-H206 PolarHBondContact O-CE1 3.39Å; S157-H206 PolarHBondContact O-ND1 3.45Å
158S73.1Confident68.7Low57 Ų5792.5 Ų92.540%0.39952%0.519SS..Hα-helixtrans-53.7-41.5174.4179.40000112.4V160 Y161 H162S158-V160 PolarHBondContact O-N 2.89Å; S158-Y161 PolarHBondContact O-N 3.13Å; S158-H162 PolarHBondContact O-N 2.89Å; S158-H162 PolarHBondContact O-ND1 3.21Å
159S83.8Confident71.7Confident48 Ų4889.8 Ų89.834%0.33650%0.495SS..Hα-helixtrans-66.6-21.7177.290.90000114M155 C156 S157 K163M155-S159 PolarHBondContact O-N 3.26Å; C156-S159 WeakPolarHBondContact O-CB 3.31Å; C156-S159 PolarHBondContact O-N 3.37Å; C156-S159 VanDerWaalsContact O-N 3.16Å; C156-S159 PolarHBondContact O-OG 3.26Å; S157-S159 PolarHBondContact O-N 2.79Å; S159-K163 WeakPolarHBondContact O-CD 3.2Å; S159-K163 WeakPolarHBondContact O-CE 3.49Å; S159-K163 WeakPolarHBondContact O-CG 3.1Å; S159-K163 PolarHBondContact O-NZ 3.17Å
160V91.3Very high74.5Confident53 Ų5389.5 Ų89.532%0.32148%0.482SS..Hα-helixtrans-91.4-40.9178.6171.70000110.7C156 S157 S158 H162 K163 Q164C156-V160 PolarHBondContact O-N 3.4Å; S157-V160 CarbonylContact O-C 3.41Å; S157-V160 WeakPolarHBondContact O-CA 3.39Å; S157-V160 PolarHBondContact O-N 3.09Å; S158-V160 PolarHBondContact O-N 2.89Å; V160-H162 PolarHBondContact O-N 3.47Å; V160-K163 PolarHBondContact O-N 3.34Å; V160-K163 VanDerWaalsContact O-N 3.13Å; V160-Q164 HydrophobicContact CG1-CG 4.31Å; V160-Q164 WeakPolarHBondContact O-CG 3.46Å; V160-Q164 PolarHBondContact O-N 3.17Å
161Y94.1Very high77.6Confident55 Ų5582.5 Ų82.522%0.21647%0.466CS..Hα-helixtrans-50.9-53.9171.7177.4-89.8000111.2S157 S158 K163 Q164 L165 I202 E203 H206S157-Y161 PolarHBondContact O-N 2.89Å; S158-Y161 PolarHBondContact O-N 3.13Å; Y161-K163 VanDerWaalsContact C-N 3.29Å; Y161-K163 PolarHBondContact O-N 2.91Å; Y161-Q164 PolarHBondContact O-N 3.37Å; Y161-L165 HydrophobicContact CE1-CD2 3.97Å; Y161-L165 WeakPolarHBondContact O-CB 3.29Å; Y161-L165 PolarHBondContact O-N 3.35Å; Y161-I202 HydrophobicContact CD2-CG2 3.52Å; Y161-I202 HydrophobicContact CE2-CG2 3.66Å; Y161-I202 HydrophobicContact CG-CG2 4.36Å; Y161-E203 HydrophobicContact CE2-CG 4.26Å; Y161-H206 WeakPolarHBondContact CA-NE2 3.36Å; Y161-H206 HydrophobicContact CD2-CB 4.13Å; Y161-H206 AromaticContact CD2-CD2 3.69Å; Y161-H206 AromaticContact CD2-CG 3.94Å; Y161-H206 PolarHBondContact N-CE1 3.27Å; Y161-H206 PolarHBondContact N-NE2 2.84Å
162H92.4Very high80.3Confident116 Ų11678.3 Ų78.354%0.53744%0.436SS..Hα-helixtrans-64.2-31.5-179.5-69.791.4000113S158 V160 A166S158-H162 PolarHBondContact O-N 2.89Å; S158-H162 PolarHBondContact O-ND1 3.21Å; V160-H162 PolarHBondContact O-N 3.47Å; H162-A166 WeakPolarHBondContact O-CB 3.39Å; H162-A166 PolarHBondContact O-N 3.3Å
163K95.2Very high82.9Confident134 Ų13477.6 Ų77.658%0.58343%0.426SS*.Hα-helixtrans-71.5-41.5174.5-72.7167.2-167151.40112S159 V160 Y161 A167S159-K163 WeakPolarHBondContact O-CD 3.2Å; S159-K163 WeakPolarHBondContact O-CE 3.49Å; S159-K163 WeakPolarHBondContact O-CG 3.1Å; S159-K163 PolarHBondContact O-NZ 3.17Å; V160-K163 PolarHBondContact O-N 3.34Å; V160-K163 VanDerWaalsContact O-N 3.13Å; Y161-K163 VanDerWaalsContact C-N 3.29Å; Y161-K163 PolarHBondContact O-N 2.91Å; K163-A167 WeakPolarHBondContact O-CB 3.19Å; K163-A167 PolarHBondContact O-N 2.93Å
164Q94.7Very high85.2Confident80 Ų8077.9 Ų77.937%0.37442%0.419SS..Hα-helixtrans-66.5-45.7177.7-73.4170.8-39.800111.1V160 Y161 A167 L168 I202 H206V160-Q164 HydrophobicContact CG1-CG 4.31Å; V160-Q164 WeakPolarHBondContact O-CG 3.46Å; V160-Q164 PolarHBondContact O-N 3.17Å; Y161-Q164 PolarHBondContact O-N 3.37Å; Q164-A167 PolarHBondContact O-N 3.35Å; Q164-L168 WeakPolarHBondContact O-CB 3.48Å; Q164-L168 PolarHBondContact O-N 2.92Å; Q164-I202 HydrophobicContact CB-CD1 4.01Å; Q164-I202 HydrophobicContact CB-CG1 4.2Å; Q164-I202 HydrophobicContact CB-CG2 4.32Å; Q164-H206 PolarHBondContact OE1-NE2 2.82Å
165L95.4Very high87.5Confident34 Ų3473.9 Ų73.918%0.17840%0.399CS..Hα-helixtrans-63.3-42.1175.3-178.356.9000112.1Y161 L168 N169 L199Y161-L165 HydrophobicContact CE1-CD2 3.97Å; Y161-L165 WeakPolarHBondContact O-CB 3.29Å; Y161-L165 PolarHBondContact O-N 3.35Å; L165-L168 PolarHBondContact O-N 2.86Å; L165-N169 WeakPolarHBondContact O-CB 3.44Å; L165-N169 PolarHBondContact O-N 2.84Å; L165-N169 PolarHBondContact O-ND2 3.47Å; L165-L199 HydrophobicContact CD1-CD1 3.77Å
166A96.6Very high90.3Very high50 Ų5067.8 Ų67.841%0.41337%0.37SS..Hα-helixtrans-62.5-44.4174.600000112.3H162 N169 C170H162-A166 WeakPolarHBondContact O-CB 3.39Å; H162-A166 PolarHBondContact O-N 3.3Å; A166-N169 PolarHBondContact O-N 2.88Å; A166-C170 PolarHBondContact O-N 3.21Å; A166-C170 PolarHBondContact O-SG 2.96Å; A166-C170 VanDerWaalsContact O-SG 3.42Å
167A96.8Very high92.6Very high54 Ų5467.7 Ų67.745%0.44637%0.367SS..Hα-helixtrans-64-39.9177.100000112.5K163 Q164 S171K163-A167 WeakPolarHBondContact O-CB 3.19Å; K163-A167 PolarHBondContact O-N 2.93Å; Q164-A167 PolarHBondContact O-N 3.35Å; A167-S171 WeakPolarHBondContact O-CB 3.44Å; A167-S171 PolarHBondContact O-N 2.82Å; A167-S171 PolarHBondContact O-OG 3.06Å
168L96.9Very high94.1Very high22 Ų2272.5 Ų72.512%0.11538%0.383CS..Hα-helixtrans-62.1-47.6173.3-179.463.7000111.2Q164 L165 C170 S171 V172 Y195 Y198 I202Q164-L168 WeakPolarHBondContact O-CB 3.48Å; Q164-L168 PolarHBondContact O-N 2.92Å; L165-L168 PolarHBondContact O-N 2.86Å; L168-C170 PolarHBondContact O-N 3.36Å; L168-S171 PolarHBondContact O-N 3.45Å; L168-S171 VanDerWaalsContact O-N 3.14Å; L168-V172 HydrophobicContact CD1-CG2 4.39Å; L168-V172 PolarHBondContact O-N 3.12Å; L168-Y195 HydrophobicContact CD1-CD2 4.21Å; L168-Y195 HydrophobicContact CD2-CD2 3.62Å; L168-Y195 HydrophobicContact CD2-CE2 3.53Å; L168-Y195 HydrophobicContact CG-CD2 3.66Å; L168-Y195 HydrophobicContact CG-CE2 3.73Å; L168-Y198 HydrophobicContact CD1-CD2 4.17Å; L168-Y198 HydrophobicContact CD1-CG 4.08Å; L168-I202 HydrophobicContact CB-CD1 4.49Å; L168-I202 HydrophobicContact CD2-CD1 3.89Å
169N96.6Very high95.2Very high66 Ų6672.9 Ų72.935%0.35338%0.378SS..Hα-helixtrans-62.6-38.6179-72.3-14.6000113L165 A166 R173 Y195L165-N169 WeakPolarHBondContact O-CB 3.44Å; L165-N169 PolarHBondContact O-N 2.84Å; L165-N169 PolarHBondContact O-ND2 3.47Å; A166-N169 PolarHBondContact O-N 2.88Å; N169-R173 WeakPolarHBondContact O-CB 3.36Å; N169-R173 PolarHBondContact O-N 3.02Å; N169-R173 VanDerWaalsContact O-N 3.1Å; N169-Y195 VanDerWaalsContact OD1-CE2 3.24Å; N169-Y195 WeakPolarHBondContact OD1-CE2 3.1Å; N169-Y195 PolarHBondContact OD1-OH 2.93Å
170C97.1Very high95.8Very high57 Ų5772.9 Ų72.939%0.38538%0.376SS..Hα-helixtrans-65.5-46.2171-71.60000111.5A166 L168 V172 R173 D174A166-C170 PolarHBondContact O-N 3.21Å; A166-C170 PolarHBondContact O-SG 2.96Å; A166-C170 VanDerWaalsContact O-SG 3.42Å; L168-C170 PolarHBondContact O-N 3.36Å; C170-V172 VanDerWaalsContact C-N 3.35Å; C170-V172 PolarHBondContact O-N 3.45Å; C170-R173 WeakPolarHBondContact O-CB 3.34Å; C170-R173 PolarHBondContact O-N 3.12Å; C170-D174 VanDerWaalsContact O-CG 3.23Å; C170-D174 PolarHBondContact O-N 3.02Å
171S96.5Very high96Very high74 Ų7476.5 Ų76.552%0.51739%0.393SS..Hα-helixtrans-61.3-41.4-178.8-57.30000112.5A167 L168 W175A167-S171 WeakPolarHBondContact O-CB 3.44Å; A167-S171 PolarHBondContact O-N 2.82Å; A167-S171 PolarHBondContact O-OG 3.06Å; L168-S171 PolarHBondContact O-N 3.45Å; L168-S171 VanDerWaalsContact O-N 3.14Å; S171-W175 WeakPolarHBondContact O-CB 3.32Å; S171-W175 PolarHBondContact O-N 2.97Å
172V97.3Very high96Very high16 Ų1679.1 Ų79.110%0.09742%0.415CS..Hα-helixtrans-68-42.1175.2170.50000111.2L168 C170 W175 I176 I191 Y195L168-V172 HydrophobicContact CD1-CG2 4.39Å; L168-V172 PolarHBondContact O-N 3.12Å; C170-V172 VanDerWaalsContact C-N 3.35Å; C170-V172 PolarHBondContact O-N 3.45Å; V172-W175 PolarHBondContact O-N 2.79Å; V172-I176 HydrophobicContact CG1-CD1 3.67Å; V172-I176 HydrophobicContact CG1-CG1 4.32Å; V172-I176 WeakPolarHBondContact O-CB 3.19Å; V172-I176 VanDerWaalsContact O-CG1 3.26Å; V172-I176 WeakPolarHBondContact O-CG1 3.28Å; V172-I176 PolarHBondContact O-N 2.95Å; V172-I191 HydrophobicContact CG1-CG1 4.13Å; V172-I191 HydrophobicContact CG2-CD1 4.34Å; V172-I191 HydrophobicContact CG2-CG1 4.32Å; V172-Y195 HydrophobicContact CG2-CD2 3.88Å; V172-Y195 HydrophobicContact CG2-CG 4.46Å
173R97.2Very high96.1Very high157 Ų15777.4 Ų77.459%0.59241%0.41SS*.Hα-helixtrans-57.3-51.2174.1179.5-169.7-62.3165.70.4111.4N169 C170 W175 I176 V177N169-R173 WeakPolarHBondContact O-CB 3.36Å; N169-R173 PolarHBondContact O-N 3.02Å; N169-R173 VanDerWaalsContact O-N 3.1Å; C170-R173 WeakPolarHBondContact O-CB 3.34Å; C170-R173 PolarHBondContact O-N 3.12Å; R173-W175 VanDerWaalsContact C-N 3.29Å; R173-W175 PolarHBondContact O-N 2.94Å; R173-I176 PolarHBondContact O-N 3.17Å; R173-V177 HydrophobicContact CG-CG2 4.31Å; R173-V177 WeakPolarHBondContact O-CB 3.46Å; R173-V177 VanDerWaalsContact O-CG2 3.32Å; R173-V177 WeakPolarHBondContact O-CG2 3.17Å; R173-V177 PolarHBondContact O-N 2.93Å
174D97.2Very high95.9Very high105 Ų10576 Ų7656%0.56142%0.415SS*.Hα-helixtrans-66.6-34.4-175.9-63.4-14.7000111.1C170 K178C170-D174 VanDerWaalsContact O-CG 3.23Å; C170-D174 PolarHBondContact O-N 3.02Å; D174-K178 VanDerWaalsContact O-CB 3.31Å; D174-K178 WeakPolarHBondContact O-CB 3.44Å; D174-K178 PolarHBondContact O-N 2.89Å; D174-K178 VanDerWaalsContact O-N 3.08Å
175W95.8Very high95.9Very high89 Ų8979.8 Ų79.834%0.33744%0.437SS..Hα-helixtrans-63.2-49.8170.2-170.2102.3000111.8S171 V172 R173 K178 H179 L188 I191S171-W175 WeakPolarHBondContact O-CB 3.32Å; S171-W175 PolarHBondContact O-N 2.97Å; V172-W175 PolarHBondContact O-N 2.79Å; R173-W175 VanDerWaalsContact C-N 3.29Å; R173-W175 PolarHBondContact O-N 2.94Å; W175-K178 PolarHBondContact O-N 2.9Å; W175-H179 AromaticContact CD1-CE1 3.61Å; W175-H179 AromaticContact CD1-ND1 3.91Å; W175-H179 AromaticContact CD2-CE1 3.71Å; W175-H179 AromaticContact CD2-ND1 3.29Å; W175-H179 VanDerWaalsContact CD2-ND1 3.29Å; W175-H179 AromaticContact CE2-CE1 3.33Å; W175-H179 AromaticContact CE2-ND1 3.32Å; W175-H179 VanDerWaalsContact CE2-ND1 3.32Å; W175-H179 HydrophobicContact CE3-CB 4.38Å; W175-H179 AromaticContact CE3-ND1 3.69Å; W175-H179 AromaticContact CG-CE1 3.87Å; W175-H179 AromaticContact CG-ND1 3.69Å; W175-H179 HydrophobicContact CH2-CB 4.27Å; W175-H179 AromaticContact CH2-CG 3.99Å; W175-H179 AromaticContact CZ2-CE1 3.82Å; W175-H179 AromaticContact CZ2-CG 3.95Å; W175-H179 AromaticContact CZ2-ND1 3.73Å; W175-H179 HydrophobicContact CZ3-CB 4.1Å; W175-H179 AromaticContact NE1-CE1 3.28Å; W175-H179 PolarHBondContact NE1-CE1 3.19Å; W175-H179 VanDerWaalsContact NE1-CE1 3.28Å; W175-H179 AromaticContact NE1-ND1 3.71Å; W175-H179 PolarHBondContact O-N 3.41Å; W175-H179 PolarHBondContact O-ND1 2.72Å; W175-L188 HydrophobicContact CZ3-CD2 4Å; W175-I191 HydrophobicContact CD2-CB 4.2Å; W175-I191 HydrophobicContact CD2-CD1 4.05Å; W175-I191 HydrophobicContact CD2-CG1 3.95Å; W175-I191 HydrophobicContact CE3-CB 3.76Å; W175-I191 HydrophobicContact CE3-CD1 4.39Å; W175-I191 HydrophobicContact CE3-CG1 3.77Å; W175-I191 HydrophobicContact CE3-CG2 3.7Å; W175-I191 HydrophobicContact CG-CD1 4.13Å; W175-I191 HydrophobicContact CG-CG1 4.35Å; W175-I191 HydrophobicContact CH2-CB 4.12Å; W175-I191 HydrophobicContact CH2-CG2 4.2Å; W175-I191 HydrophobicContact CZ2-CB 4.49Å; W175-I191 HydrophobicContact CZ3-CB 3.72Å; W175-I191 HydrophobicContact CZ3-CG1 4.28Å; W175-I191 HydrophobicContact CZ3-CG2 3.46Å; W175-I191 VanDerWaalsContact CZ3-CG2 3.46Å
176I96.6Very high95.7Very high37 Ų3779.8 Ų79.819%0.1944%0.439CS..Hα-helixtrans-62.2-49.1-179.3-69.3170000110.2V172 R173 K178 H179 V180 L188 I191 F192V172-I176 HydrophobicContact CG1-CD1 3.67Å; V172-I176 HydrophobicContact CG1-CG1 4.32Å; V172-I176 WeakPolarHBondContact O-CB 3.19Å; V172-I176 VanDerWaalsContact O-CG1 3.26Å; V172-I176 WeakPolarHBondContact O-CG1 3.28Å; V172-I176 PolarHBondContact O-N 2.95Å; R173-I176 PolarHBondContact O-N 3.17Å; I176-K178 VanDerWaalsContact C-N 3.28Å; I176-K178 PolarHBondContact O-N 2.9Å; I176-H179 PolarHBondContact O-N 3.3Å; I176-V180 HydrophobicContact CG2-CG2 3.84Å; I176-V180 WeakPolarHBondContact O-CB 3.37Å; I176-V180 WeakPolarHBondContact O-CG2 3.28Å; I176-V180 PolarHBondContact O-N 3.12Å; I176-L188 HydrophobicContact CG1-CD2 4.33Å; I176-L188 HydrophobicContact CG2-CD1 4.08Å; I176-L188 HydrophobicContact CG2-CD2 4.36Å; I176-I191 HydrophobicContact CD1-CG2 4.5Å; I176-I191 HydrophobicContact CG1-CG2 4.17Å; I176-F192 HydrophobicContact CD1-CE1 4.08Å; I176-F192 HydrophobicContact CD1-CZ 3.96Å
177V96.9Very high95.5Very high77 Ų7782.2 Ų82.247%0.46745%0.445SS..Hα-helixtrans-55.9-43.9177.61700000110.9R173 N181R173-V177 HydrophobicContact CG-CG2 4.31Å; R173-V177 WeakPolarHBondContact O-CB 3.46Å; R173-V177 VanDerWaalsContact O-CG2 3.32Å; R173-V177 WeakPolarHBondContact O-CG2 3.17Å; R173-V177 PolarHBondContact O-N 2.93Å; V177-N181 WeakPolarHBondContact O-CB 3.37Å; V177-N181 PolarHBondContact O-N 2.99Å; V177-N181 PolarHBondContact O-ND2 3.07Å; V177-N181 VanDerWaalsContact O-ND2 3.13Å
178K95.6Very high95.5Very high142 Ų14281.7 Ų81.762%0.61743%0.434SS*.Hα-helixtrans-63.5-45.7177.6-176.5177.1178.2-178.40112.6D174 W175 I176 T182D174-K178 VanDerWaalsContact O-CB 3.31Å; D174-K178 WeakPolarHBondContact O-CB 3.44Å; D174-K178 PolarHBondContact O-N 2.89Å; D174-K178 VanDerWaalsContact O-N 3.08Å; W175-K178 PolarHBondContact O-N 2.9Å; I176-K178 VanDerWaalsContact C-N 3.28Å; I176-K178 PolarHBondContact O-N 2.9Å; K178-T182 WeakPolarHBondContact O-CB 3.18Å; K178-T182 PolarHBondContact O-N 3.44Å; K178-T182 PolarHBondContact O-OG1 2.93Å
179H94.6Very high95.4Very high65 Ų6584.3 Ų84.330%0.30145%0.451SS..Hα-helixtrans-79.4-39.9-173.7-67.187000112.7W175 I176 N181 T182 N183W175-H179 AromaticContact CD1-CE1 3.61Å; W175-H179 AromaticContact CD1-ND1 3.91Å; W175-H179 AromaticContact CD2-CE1 3.71Å; W175-H179 AromaticContact CD2-ND1 3.29Å; W175-H179 VanDerWaalsContact CD2-ND1 3.29Å; W175-H179 AromaticContact CE2-CE1 3.33Å; W175-H179 AromaticContact CE2-ND1 3.32Å; W175-H179 VanDerWaalsContact CE2-ND1 3.32Å; W175-H179 HydrophobicContact CE3-CB 4.38Å; W175-H179 AromaticContact CE3-ND1 3.69Å; W175-H179 AromaticContact CG-CE1 3.87Å; W175-H179 AromaticContact CG-ND1 3.69Å; W175-H179 HydrophobicContact CH2-CB 4.27Å; W175-H179 AromaticContact CH2-CG 3.99Å; W175-H179 AromaticContact CZ2-CE1 3.82Å; W175-H179 AromaticContact CZ2-CG 3.95Å; W175-H179 AromaticContact CZ2-ND1 3.73Å; W175-H179 HydrophobicContact CZ3-CB 4.1Å; W175-H179 AromaticContact NE1-CE1 3.28Å; W175-H179 PolarHBondContact NE1-CE1 3.19Å; W175-H179 VanDerWaalsContact NE1-CE1 3.28Å; W175-H179 AromaticContact NE1-ND1 3.71Å; W175-H179 PolarHBondContact O-N 3.41Å; W175-H179 PolarHBondContact O-ND1 2.72Å; I176-H179 PolarHBondContact O-N 3.3Å; H179-N181 PolarHBondContact O-N 2.91Å; H179-T182 CarbonylContact O-C 3.59Å; H179-T182 PolarHBondContact O-N 3.03Å; H179-N183 PolarHBondContact O-N 2.91Å
180V96.1Very high95.4Very high47 Ų4784.4 Ų84.429%0.28546%0.456SS..Hα-helixtrans-63.6-40.6174.7175.40000111.3I176 T182 N183 P184 L188I176-V180 HydrophobicContact CG2-CG2 3.84Å; I176-V180 WeakPolarHBondContact O-CB 3.37Å; I176-V180 WeakPolarHBondContact O-CG2 3.28Å; I176-V180 PolarHBondContact O-N 3.12Å; V180-T182 PolarHBondContact O-N 2.96Å; V180-N183 CarbonylContact O-C 3.48Å; V180-N183 PolarHBondContact O-N 3.35Å; V180-P184 WeakPolarHBondContact O-CA 3.45Å; V180-P184 WeakPolarHBondContact O-CD 3.25Å; V180-P184 VanDerWaalsContact O-N 3.11Å; V180-L188 HydrophobicContact CG2-CD1 4.42Å; V180-L188 HydrophobicContact CG2-CD2 4.14Å
181N95.6Very high95.3Very high129 Ų12982.8 Ų82.869%0.6944%0.443SS*.Hα-helixtrans-68.5-19174.1-71.4-19.2000113.4V177 H179V177-N181 WeakPolarHBondContact O-CB 3.37Å; V177-N181 PolarHBondContact O-N 2.99Å; V177-N181 PolarHBondContact O-ND2 3.07Å; V177-N181 VanDerWaalsContact O-ND2 3.13Å; H179-N181 PolarHBondContact O-N 2.91Å
182T95.8Very high95.4Very high111 Ų11183.8 Ų83.868%0.68144%0.438SS*.Hα-helixtrans-90.6-36.6176.5-55.50000111.6K178 H179 V180K178-T182 WeakPolarHBondContact O-CB 3.18Å; K178-T182 PolarHBondContact O-N 3.44Å; K178-T182 PolarHBondContact O-OG1 2.93Å; H179-T182 CarbonylContact O-C 3.59Å; H179-T182 PolarHBondContact O-N 3.03Å; V180-T182 PolarHBondContact O-N 2.96Å
183N92.9Very high95.3Very high80 Ų8089.5 Ų89.543%0.42846%0.458SS..  trans-149.5103.1174.9175.811.5000109.3H179 V180 L185 C186H179-N183 PolarHBondContact O-N 2.91Å; V180-N183 CarbonylContact O-C 3.48Å; V180-N183 PolarHBondContact O-N 3.35Å; N183-L185 PolarHBondContact O-N 3.41Å; N183-L185 PolarHBondContact OD1-N 2.93Å; N183-C186 WeakPolarHBondContact O-CB 3.43Å; N183-C186 PolarHBondContact O-N 3.14Å; N183-C186 VanDerWaalsContact O-N 3.1Å; N183-C186 PolarHBondContact O-SG 2.86Å
184P92.3Very high95.3Very high105 Ų10585.3 Ų85.368%0.68245%0.447SS*.THydrogen-bonded Turntrans-62.5-12.2178.8-26.235.8000115.1V180V180-P184 WeakPolarHBondContact O-CA 3.45Å; V180-P184 WeakPolarHBondContact O-CD 3.25Å; V180-P184 VanDerWaalsContact O-N 3.11Å
185L93.3Very high95.2Very high159 Ų15983.1 Ų83.183%0.83243%0.432SS*.THydrogen-bonded Turntrans-102.122.5177.6-55.1177.8000112.4N183N183-L185 PolarHBondContact O-N 3.41Å; N183-L185 PolarHBondContact OD1-N 2.93Å
186C91.9Very high95.2Very high33 Ų3383.3 Ų83.322%0.22344%0.436CS..  trans-74.2135.8176.965.30000112.4N183 L188N183-C186 WeakPolarHBondContact O-CB 3.43Å; N183-C186 PolarHBondContact O-N 3.14Å; N183-C186 VanDerWaalsContact O-N 3.1Å; N183-C186 PolarHBondContact O-SG 2.86Å; C186-L188 PolarHBondContact O-N 2.86Å
187D93.6Very high95.2Very high102 Ų10287.7 Ų87.755%0.54545%0.454SS..  trans-69.8124.8168.6178.422.8000110.5T189 P190D187-T189 WeakPolarHBondContact OD1-CB 3.37Å; D187-T189 PolarHBondContact OD1-N 2.81Å; D187-T189 PolarHBondContact OD1-OG1 3.41Å; D187-P190 WeakPolarHBondContact OD2-CD 3.32Å
188L95.4Very high95.2Very high42 Ų4290.7 Ų90.722%0.2246%0.458CS..  trans-94.5-7.1177.7-58.2-177000112.9W175 I176 V180 C186 P190 I191 F192W175-L188 HydrophobicContact CZ3-CD2 4Å; I176-L188 HydrophobicContact CG1-CD2 4.33Å; I176-L188 HydrophobicContact CG2-CD1 4.08Å; I176-L188 HydrophobicContact CG2-CD2 4.36Å; V180-L188 HydrophobicContact CG2-CD1 4.42Å; V180-L188 HydrophobicContact CG2-CD2 4.14Å; C186-L188 PolarHBondContact O-N 2.86Å; L188-P190 VanDerWaalsContact C-N 3.31Å; L188-I191 HydrophobicContact CB-CG2 4.29Å; L188-I191 WeakPolarHBondContact O-CG2 3.33Å; L188-I191 PolarHBondContact O-N 2.86Å; L188-F192 HydrophobicContact CB-CD2 4.06Å; L188-F192 HydrophobicContact CB-CE2 3.58Å; L188-F192 HydrophobicContact CB-CZ 4.43Å; L188-F192 HydrophobicContact CD1-CE2 4.39Å; L188-F192 WeakPolarHBondContact O-CD2 3.44Å; L188-F192 PolarHBondContact O-N 2.85Å
189T95.8Very high95.2Very high77 Ų7785.9 Ų85.947%0.47244%0.439SS..Hα-helixtrans-52-41.4177.9-49.50000113D187 I191 F192 R193D187-T189 WeakPolarHBondContact OD1-CB 3.37Å; D187-T189 PolarHBondContact OD1-N 2.81Å; D187-T189 PolarHBondContact OD1-OG1 3.41Å; T189-I191 PolarHBondContact O-N 3.2Å; T189-F192 PolarHBondContact O-N 2.92Å; T189-R193 HydrophobicContact CG2-CG 4.4Å; T189-R193 WeakPolarHBondContact O-CG 3.27Å; T189-R193 PolarHBondContact O-N 3.22Å
190P95.8Very high95.2Very high69 Ų6985.2 Ų85.245%0.44845%0.445SS..Hα-helixtrans-62.4-43.5179.6-24.435.9000113.8D187 L188 F192 R193 D194D187-P190 WeakPolarHBondContact OD2-CD 3.32Å; L188-P190 VanDerWaalsContact C-N 3.31Å; P190-F192 VanDerWaalsContact C-N 3.33Å; P190-F192 PolarHBondContact O-N 3.07Å; P190-R193 PolarHBondContact O-N 2.63Å; P190-D194 PolarHBondContact O-N 2.95Å
191I96Very high95.1Very high22 Ų2286.6 Ų86.611%0.11345%0.451CS..Hα-helixtrans-69.5-32.3-179.5-173.962.6000111.5V172 W175 I176 L188 T189 D194 Y195V172-I191 HydrophobicContact CG1-CG1 4.13Å; V172-I191 HydrophobicContact CG2-CD1 4.34Å; V172-I191 HydrophobicContact CG2-CG1 4.32Å; W175-I191 HydrophobicContact CD2-CB 4.2Å; W175-I191 HydrophobicContact CD2-CD1 4.05Å; W175-I191 HydrophobicContact CD2-CG1 3.95Å; W175-I191 HydrophobicContact CE3-CB 3.76Å; W175-I191 HydrophobicContact CE3-CD1 4.39Å; W175-I191 HydrophobicContact CE3-CG1 3.77Å; W175-I191 HydrophobicContact CE3-CG2 3.7Å; W175-I191 HydrophobicContact CG-CD1 4.13Å; W175-I191 HydrophobicContact CG-CG1 4.35Å; W175-I191 HydrophobicContact CH2-CB 4.12Å; W175-I191 HydrophobicContact CH2-CG2 4.2Å; W175-I191 HydrophobicContact CZ2-CB 4.49Å; W175-I191 HydrophobicContact CZ3-CB 3.72Å; W175-I191 HydrophobicContact CZ3-CG1 4.28Å; W175-I191 HydrophobicContact CZ3-CG2 3.46Å; W175-I191 VanDerWaalsContact CZ3-CG2 3.46Å; I176-I191 HydrophobicContact CD1-CG2 4.5Å; I176-I191 HydrophobicContact CG1-CG2 4.17Å; L188-I191 HydrophobicContact CB-CG2 4.29Å; L188-I191 WeakPolarHBondContact O-CG2 3.33Å; L188-I191 PolarHBondContact O-N 2.86Å; T189-I191 PolarHBondContact O-N 3.2Å; I191-D194 PolarHBondContact O-N 3.19Å; I191-Y195 WeakPolarHBondContact O-CB 3.21Å; I191-Y195 PolarHBondContact O-N 2.8Å
192F97Very high95Very high96 Ų9681.2 Ų81.242%0.42142%0.422SS..Hα-helixtrans-69.4-37.6171.9-64.4-53.9000112.5I176 L188 T189 P190 D194 Y195 E196I176-F192 HydrophobicContact CD1-CE1 4.08Å; I176-F192 HydrophobicContact CD1-CZ 3.96Å; L188-F192 HydrophobicContact CB-CD2 4.06Å; L188-F192 HydrophobicContact CB-CE2 3.58Å; L188-F192 HydrophobicContact CB-CZ 4.43Å; L188-F192 HydrophobicContact CD1-CE2 4.39Å; L188-F192 WeakPolarHBondContact O-CD2 3.44Å; L188-F192 PolarHBondContact O-N 2.85Å; T189-F192 PolarHBondContact O-N 2.92Å; P190-F192 VanDerWaalsContact C-N 3.33Å; P190-F192 PolarHBondContact O-N 3.07Å; F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.2Å; F192-Y195 WeakPolarHBondContact O-CB 3.3Å; F192-Y195 PolarHBondContact O-N 3.26Å; F192-E196 WeakPolarHBondContact O-CG 3.18Å; F192-E196 PolarHBondContact O-N 3.12Å
193R96.6Very high94.7Very high136 Ų13680.6 Ų80.651%0.51341%0.411SS..Hα-helixtrans-65.2-28.7172.9-69.9-51.6-169-175.6-3.4113.8T189 P190 E196 K197T189-R193 HydrophobicContact CG2-CG 4.4Å; T189-R193 WeakPolarHBondContact O-CG 3.27Å; T189-R193 PolarHBondContact O-N 3.22Å; P190-R193 PolarHBondContact O-N 2.63Å; R193-E196 WeakPolarHBondContact CD-OE2 3.37Å; R193-E196 IonicContact CZ-OE1 2.65Å; R193-E196 IonicContact CZ-OE2 3.83Å; R193-E196 IonicContact NE-OE2 2.94Å; R193-E196 VanDerWaalsContact NH1-CD 3.28Å; R193-E196 IonicContact NH1-OE1 2.61Å; R193-E196 PolarHBondContact NH1-OE1 3.07Å; R193-E196 IonicContact NH1-OE2 2.99Å; R193-E196 PolarHBondContact NH1-OE2 3.45Å; R193-K197 WeakPolarHBondContact O-CD 3.32Å; R193-K197 VanDerWaalsContact O-CE 3.22Å; R193-K197 WeakPolarHBondContact O-CE 3.41Å; R193-K197 WeakPolarHBondContact O-CG 3.48Å
194D95.6Very high94.6Very high69 Ų6982.4 Ų82.437%0.36942%0.417SS..Hα-helixtrans-80.1-37.6171.4-75.5-17.3000111.9P190 I191 F192 E196 K197 Y198P190-D194 PolarHBondContact O-N 2.95Å; I191-D194 PolarHBondContact O-N 3.19Å; F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.2Å; D194-E196 PolarHBondContact O-N 2.87Å; D194-K197 WeakPolarHBondContact O-CB 3.3Å; D194-K197 PolarHBondContact O-N 3.3Å; D194-K197 VanDerWaalsContact O-N 3.15Å; D194-K197 IonicContact OD1-NZ 3.53Å; D194-K197 PolarHBondContact OD1-NZ 2.98Å; D194-Y198 HydrophobicContact CB-CE2 4.41Å; D194-Y198 WeakPolarHBondContact O-CD2 3.46Å; D194-Y198 PolarHBondContact O-N 3.42Å
195Y96.9Very high94.3Very high58 Ų5883.1 Ų83.123%0.22741%0.411CS..Hα-helixtrans-56.9-44.8171.7176.4-100.3000112.4L168 N169 V172 I191 F192 K197 Y198 L199L168-Y195 HydrophobicContact CD1-CD2 4.21Å; L168-Y195 HydrophobicContact CD2-CD2 3.62Å; L168-Y195 HydrophobicContact CD2-CE2 3.53Å; L168-Y195 HydrophobicContact CG-CD2 3.66Å; L168-Y195 HydrophobicContact CG-CE2 3.73Å; N169-Y195 VanDerWaalsContact OD1-CE2 3.24Å; N169-Y195 WeakPolarHBondContact OD1-CE2 3.1Å; N169-Y195 PolarHBondContact OD1-OH 2.93Å; V172-Y195 HydrophobicContact CG2-CD2 3.88Å; V172-Y195 HydrophobicContact CG2-CG 4.46Å; I191-Y195 WeakPolarHBondContact O-CB 3.21Å; I191-Y195 PolarHBondContact O-N 2.8Å; F192-Y195 WeakPolarHBondContact O-CB 3.3Å; F192-Y195 PolarHBondContact O-N 3.26Å; Y195-K197 VanDerWaalsContact C-N 3.31Å; Y195-K197 PolarHBondContact O-N 2.92Å; Y195-Y198 PolarHBondContact O-N 2.95Å; Y195-L199 HydrophobicContact CE1-CD2 4.21Å; Y195-L199 WeakPolarHBondContact O-CB 3.36Å; Y195-L199 PolarHBondContact O-N 3.33Å
196E95.9Very high93.5Very high94 Ų9477.9 Ų77.944%0.43938%0.382SS..Hα-helixtrans-52.9-45.4173.4-75.4169.2-178.900112.1F192 R193 D194 A200F192-E196 WeakPolarHBondContact O-CG 3.18Å; F192-E196 PolarHBondContact O-N 3.12Å; R193-E196 WeakPolarHBondContact CD-OE2 3.37Å; R193-E196 IonicContact CZ-OE1 2.65Å; R193-E196 IonicContact CZ-OE2 3.83Å; R193-E196 IonicContact NE-OE2 2.94Å; R193-E196 VanDerWaalsContact NH1-CD 3.28Å; R193-E196 IonicContact NH1-OE1 2.61Å; R193-E196 PolarHBondContact NH1-OE1 3.07Å; R193-E196 IonicContact NH1-OE2 2.99Å; R193-E196 PolarHBondContact NH1-OE2 3.45Å; D194-E196 PolarHBondContact O-N 2.87Å; E196-A200 WeakPolarHBondContact O-CB 3.24Å; E196-A200 PolarHBondContact O-N 2.92Å
197K96.6Very high92.3Very high129 Ų12979.1 Ų79.156%0.56140%0.4SS*.Hα-helixtrans-66.9-42.2178.8-62.2163.8-161.31620112R193 D194 Y195 N201R193-K197 WeakPolarHBondContact O-CD 3.32Å; R193-K197 VanDerWaalsContact O-CE 3.22Å; R193-K197 WeakPolarHBondContact O-CE 3.41Å; R193-K197 WeakPolarHBondContact O-CG 3.48Å; D194-K197 WeakPolarHBondContact O-CB 3.3Å; D194-K197 PolarHBondContact O-N 3.3Å; D194-K197 VanDerWaalsContact O-N 3.15Å; D194-K197 IonicContact OD1-NZ 3.53Å; D194-K197 PolarHBondContact OD1-NZ 2.98Å; Y195-K197 VanDerWaalsContact C-N 3.31Å; Y195-K197 PolarHBondContact O-N 2.92Å; K197-N201 WeakPolarHBondContact O-CB 3.22Å; K197-N201 PolarHBondContact O-N 3.34Å
198Y95.3Very high90.4Very high139 Ų13978 Ų7855%0.54540%0.4SS..Hα-helixtrans-70-36.6178.9-75.2-63.5000112.2L168 D194 Y195 N201 I202L168-Y198 HydrophobicContact CD1-CD2 4.17Å; L168-Y198 HydrophobicContact CD1-CG 4.08Å; D194-Y198 HydrophobicContact CB-CE2 4.41Å; D194-Y198 WeakPolarHBondContact O-CD2 3.46Å; D194-Y198 PolarHBondContact O-N 3.42Å; Y195-Y198 PolarHBondContact O-N 2.95Å; Y198-N201 PolarHBondContact O-N 2.96Å; Y198-I202 VanDerWaalsContact O-CG1 3.27Å; Y198-I202 WeakPolarHBondContact O-CG1 3.48Å; Y198-I202 PolarHBondContact O-N 2.71Å
199L95.4Very high88.3Confident41 Ų4180.9 Ų80.922%0.21542%0.424CS..Hα-helixtrans-61.8-51.6173.6-175.164.2000110.6L165 Y195 N201 I202 E203L165-L199 HydrophobicContact CD1-CD1 3.77Å; Y195-L199 HydrophobicContact CE1-CD2 4.21Å; Y195-L199 WeakPolarHBondContact O-CB 3.36Å; Y195-L199 PolarHBondContact O-N 3.33Å; L199-N201 VanDerWaalsContact C-N 3.26Å; L199-N201 PolarHBondContact O-N 3.37Å; L199-I202 PolarHBondContact O-N 2.9Å; L199-I202 VanDerWaalsContact O-N 3.12Å; L199-E203 WeakPolarHBondContact O-CG 3.21Å; L199-E203 PolarHBondContact O-N 3.28Å
200A95.4Very high86Confident52 Ų5282.7 Ų82.743%0.4344%0.44SS..Hα-helixtrans-59.6-34.2175.500000112.9E196 Q204E196-A200 WeakPolarHBondContact O-CB 3.24Å; E196-A200 PolarHBondContact O-N 2.92Å; A200-Q204 VanDerWaalsContact O-CB 3.3Å; A200-Q204 WeakPolarHBondContact O-CB 3.24Å; A200-Q204 PolarHBondContact O-N 3.32Å
201N94.4Very high83.5Confident76 Ų7685.9 Ų85.941%0.40645%0.453SS..Hα-helixtrans-67.7-43.5174.6-168.9-95.3000112.1K197 Y198 L199 Q204 Q205K197-N201 WeakPolarHBondContact O-CB 3.22Å; K197-N201 PolarHBondContact O-N 3.34Å; Y198-N201 PolarHBondContact O-N 2.96Å; L199-N201 VanDerWaalsContact C-N 3.26Å; L199-N201 PolarHBondContact O-N 3.37Å; N201-Q204 PolarHBondContact O-N 3.42Å; N201-Q205 WeakPolarHBondContact O-CB 3.41Å; N201-Q205 WeakPolarHBondContact O-CG 3.47Å; N201-Q205 PolarHBondContact O-N 2.95Å
202I92.6Very high81.4Confident16 Ų1691.1 Ų91.18%0.08249%0.492CS..Hα-helixtrans-63.2-45.5175.8-66.3163.6000109.8Y161 Q164 L168 Y198 L199 Q204 Q205 H206Y161-I202 HydrophobicContact CD2-CG2 3.52Å; Y161-I202 HydrophobicContact CE2-CG2 3.66Å; Y161-I202 HydrophobicContact CG-CG2 4.36Å; Q164-I202 HydrophobicContact CB-CD1 4.01Å; Q164-I202 HydrophobicContact CB-CG1 4.2Å; Q164-I202 HydrophobicContact CB-CG2 4.32Å; L168-I202 HydrophobicContact CB-CD1 4.49Å; L168-I202 HydrophobicContact CD2-CD1 3.89Å; Y198-I202 VanDerWaalsContact O-CG1 3.27Å; Y198-I202 WeakPolarHBondContact O-CG1 3.48Å; Y198-I202 PolarHBondContact O-N 2.71Å; L199-I202 PolarHBondContact O-N 2.9Å; L199-I202 VanDerWaalsContact O-N 3.12Å; I202-Q204 VanDerWaalsContact C-N 3.35Å; I202-Q204 PolarHBondContact O-N 2.93Å; I202-Q205 PolarHBondContact O-N 3.06Å; I202-H206 PolarHBondContact O-CD2 2.86Å; I202-H206 VanDerWaalsContact O-CD2 3.26Å; I202-H206 PolarHBondContact O-N 2.85Å; I202-H206 VanDerWaalsContact O-N 3.09Å
203E90.6Very high78.5Confident98 Ų9889 Ų8946%0.45850%0.498SS..Hα-helixtrans-59.4-43.2175.6-71171.8178.100112Y161 L199 H206 G207Y161-E203 HydrophobicContact CE2-CG 4.26Å; L199-E203 WeakPolarHBondContact O-CG 3.21Å; L199-E203 PolarHBondContact O-N 3.28Å; E203-H206 PolarHBondContact O-N 3Å; E203-G207 PolarHBondContact O-N 3Å
204Q90.6Very high76.1Confident118 Ų11887.7 Ų87.755%0.55151%0.509SS*.Hα-helixtrans-63.3-46.2175.3-171.6177.63000112.3A200 N201 I202 H206 G207 S208A200-Q204 VanDerWaalsContact O-CB 3.3Å; A200-Q204 WeakPolarHBondContact O-CB 3.24Å; A200-Q204 PolarHBondContact O-N 3.32Å; N201-Q204 PolarHBondContact O-N 3.42Å; I202-Q204 VanDerWaalsContact C-N 3.35Å; I202-Q204 PolarHBondContact O-N 2.93Å; Q204-H206 VanDerWaalsContact C-N 3.3Å; Q204-H206 PolarHBondContact O-N 2.65Å; Q204-G207 PolarHBondContact O-N 3.22Å; Q204-S208 WeakPolarHBondContact O-CB 3.05Å; Q204-S208 PolarHBondContact O-N 3.07Å; Q204-S208 PolarHBondContact O-OG 2.83Å
205Q84.8Confident73.3Confident120 Ų12092.3 Ų92.356%0.56153%0.528SS*.Hα-helixtrans-61.5-35.9-179.9-71-71.1-28.300112.6N201 I202N201-Q205 WeakPolarHBondContact O-CB 3.41Å; N201-Q205 WeakPolarHBondContact O-CG 3.47Å; N201-Q205 PolarHBondContact O-N 2.95Å; I202-Q205 PolarHBondContact O-N 3.06Å
206H78.1Confident70.2Confident49 Ų4996.9 Ų96.923%0.22756%0.557CS.*Hα-helixtrans-87.8-22.7177.2-71.6-80.8000113.8S157 Y161 Q164 I202 E203 Q204S157-H206 PolarHBondContact O-CE1 3.39Å; S157-H206 PolarHBondContact O-ND1 3.45Å; Y161-H206 WeakPolarHBondContact CA-NE2 3.36Å; Y161-H206 HydrophobicContact CD2-CB 4.13Å; Y161-H206 AromaticContact CD2-CD2 3.69Å; Y161-H206 AromaticContact CD2-CG 3.94Å; Y161-H206 PolarHBondContact N-CE1 3.27Å; Y161-H206 PolarHBondContact N-NE2 2.84Å; Q164-H206 PolarHBondContact OE1-NE2 2.82Å; I202-H206 PolarHBondContact O-CD2 2.86Å; I202-H206 VanDerWaalsContact O-CD2 3.26Å; I202-H206 PolarHBondContact O-N 2.85Å; I202-H206 VanDerWaalsContact O-N 3.09Å; E203-H206 PolarHBondContact O-N 3Å; Q204-H206 VanDerWaalsContact C-N 3.3Å; Q204-H206 PolarHBondContact O-N 2.65Å
207G66.4Low67.3Low58 Ų58100.2 Ų100.260%0.59857%0.572SS**Hα-helixtrans-79.5-35.2174.300000114.3E203 Q204 S209E203-G207 PolarHBondContact O-N 3Å; Q204-G207 PolarHBondContact O-N 3.22Å; G207-S209 PolarHBondContact O-N 2.86Å
208S52.9Low64.1Low78 Ų7897.5 Ų97.555%0.54558%0.581SS.*SBendtrans-80.2-8.8-175.9-65.20000114.9Q204 S210Q204-S208 WeakPolarHBondContact O-CB 3.05Å; Q204-S208 PolarHBondContact O-N 3.07Å; Q204-S208 PolarHBondContact O-OG 2.83Å; S208-S210 PolarHBondContact O-N 2.76Å
209S51.1Low61Low103 Ų10397.2 Ų97.272%0.7259%0.589SS**THydrogen-bonded Turntrans-79.436.5-175.3-1750000114.2G207G207-S209 PolarHBondContact O-N 2.86Å
210S49Very low57.9Low115 Ų115105.2 Ų105.280%0.80462%0.622SS**THydrogen-bonded Turntrans-142.310.7-179.5-163.70000116.1S208S208-S210 PolarHBondContact O-N 2.76Å
211D43.1Very low54.8Low136 Ų136109 Ų10973%0.72764%0.639SS**  trans-144.9139.4164.4-167.511.2000111.2
212S51.8Low52.1Low132 Ų132111.5 Ų111.592%0.92366%0.66SS**  trans-171.375.7176.6-79.30000112
213G34.9Very low48.8Very low53 Ų53114.1 Ų114.155%0.54669%0.691SS.*  trans-149.9114.3155.300000107.9
214S45.5Very low45.9Very low107 Ų107115.3 Ų115.375%0.74871%0.705SS**  63.3118.678.9-148.20000110.9
215E37.8Very low43.2Very low167 Ų167118.5 Ų118.578%0.7872%0.72SS**  cis-16316215.946.7-131.75200115.6
216N31.8Very low40.5Very low154 Ų154117.6 Ų117.682%0.82473%0.727SS**  trans22.1132.2155.7-95.7-6.9000125.1
217E35.7Very low38.2Very low163 Ų163121.5 Ų121.576%0.76275%0.754SS**  36.5125.9126.9-75.9-64.2124.300122.1
218G29.5Very low36.4Very low72 Ų72123.4 Ų123.474%0.74276%0.759SS**  trans-168.515.2-179.500000122.4
219N29.7Very low35.2Very low134 Ų134126 Ų12672%0.71777%0.771SS**  trans22112.7164.8-79.6-81.4000121.9
220K30Very low34Very low209 Ų209131 Ų13191%0.90978%0.781SS**  -173.7146.7111.2-105.9174.9-179.41770116.4
221T31.1Very low32.9Very low130 Ų130129.2 Ų129.280%0.79878%0.78SS**  trans-100.1-178.7-178.721.90000112
222P37.9Very low32.3Very low130 Ų130130 Ų13084%0.84478%0.784SS**  cis-138.8173.319.743.1-24.7000118.7
223G23.1Very low31.1Very low71 Ų71129.2 Ų129.273%0.73278%0.778SS**  trans17773.4171.300000117.3
224T28.8Very low30.9Very low123 Ų123135.6 Ų135.676%0.75579%0.791SS**  trans67.298.3153.2-50.10000120.9
225Q33.3Very low30.6Very low184 Ų184135.4 Ų135.486%0.8679%0.787SS**  51143.1129.2-63.7170.5-14.200121.4
226S28.8Very low30.1Very low102 Ų102135.5 Ų135.571%0.71379%0.788SS**  cis-166.1129.5-10.9-165.20000106.6
227V29.8Very low30.1Very low130 Ų130136 Ų13679%0.78879%0.785SS**  44.913569-143.50000112.5
228S29.3Very low29.5Very low99 Ų99131.8 Ų131.869%0.69279%0.786SS**  cis-146.6-171.516.9-150.80000109.3
229T26.2Very low29.6Very low133 Ų133133.6 Ų133.682%0.81679%0.787SS**  cis-154.3171.413.1-31.50000111.3
230F26.9Very low29.8Very low208 Ų208132.5 Ų132.591%0.91279%0.785SS**  trans-94151.2171.8-172.3-92.9000111.9
231G25.8Very low29.6Very low76 Ų76132 Ų13278%0.78478%0.783SS**  trans169.6111.2172.500000117.6
232N29.5Very low29.6Very low152 Ų152132.9 Ų132.981%0.81378%0.782SS**  trans-83.9134.3-173.1165.450.2000116
233S27.5Very low29.2Very low116 Ų116136.1 Ų136.181%0.81178%0.783SS**  trans-161.4159.9142.567.30000113
234K30.3Very low29.4Very low188 Ų188139.2 Ų139.282%0.81778%0.783SS**  trans-159.8156.8-172.9171.7178178.3178.60108.9
235P39.2Very low29.4Very low102 Ų102138.3 Ų138.366%0.66278%0.782SS**  cis-120.4174.6-12.837.3-24.3000113.7
236Q27.2Very low29.5Very low170 Ų170136.5 Ų136.579%0.79478%0.778SS**  -159168.2120-115.9-170.5-59.900114.3
237Q31.6Very low29.7Very low164 Ų164140 Ų14077%0.76678%0.78SS**  trans-58.6156.6175.7-58.1123.1-48.600111.7
238G24.9Very low29.7Very low75 Ų75139.7 Ų139.777%0.77378%0.779SS**  cis124.8139.87.700000110.6
239S30Very low29.7Very low109 Ų109141.7 Ų141.776%0.76278%0.778SS**  trans-151.5129.6173-164.20000113
240T33.9Very low29.7Very low111 Ų111142.7 Ų142.768%0.68178%0.778SS**  trans-100.3154171.2-45.80000108.1L242T240-L242 HydrophobicContact CG2-CD1 4.32Å
241F27Very low29.8Very low200 Ų200136 Ų13688%0.87776%0.761SS**  trans-104.2138.7162.9-78.5-76.1000110.8
242L31.3Very low30.1Very low148 Ų148137.7 Ų137.778%0.77576%0.761SS**  trans-109.3162.9-160.6-93.674.7000113.7T240T240-L242 HydrophobicContact CG2-CD1 4.32Å
243F29.6Very low30.1Very low198 Ų198136.5 Ų136.587%0.86875%0.754SS**  trans-53.5143.4163.6-140.3-104.8000111.7
244N26.1Very low30.3Very low136 Ų136138.8 Ų138.873%0.72775%0.75SS**  trans-88.5121175.4179.887.3000111.4N246N244-N246 PolarHBondContact ND2-OD1 2.84Å
245S30.3Very low30.2Very low103 Ų103138.7 Ų138.772%0.7275%0.749SS**  trans-145.9148167.855.70000110.5
246N34Very low29.6Very low147 Ų147139.2 Ų139.279%0.78676%0.756SS**  trans-85153.8-152.7-65.3-2.7000115.7N244N244-N246 PolarHBondContact ND2-OD1 2.84Å
247K33.7Very low29.4Very low174 Ų174139.3 Ų139.376%0.75776%0.756SS**  trans-62.1145.6-177.5-170.3-165.8-176.9-162.50114.7
248T29.3Very low29.1Very low125 Ų125135.1 Ų135.177%0.76776%0.756SS**  -174.9155.4129-70.80000110.2
249E29Very low29.2Very low141 Ų141136.1 Ų136.166%0.65976%0.757SS**  trans-66.1175.1175.5-5895.9162.300113.3
250D26.3Very low29Very low154 Ų154136.1 Ų136.182%0.82476%0.758SS**  cis-155.3170.818.1-164.420.5000114.6
251A30.4Very low28.7Very low68 Ų68137.9 Ų137.956%0.56276%0.758SS**  trans2.5127164.200000124.1
252S30.8Very low28.7Very low111 Ų111136.5 Ų136.578%0.77675%0.752SS**  92.5115.1120.473.70000123.8
253D30Very low28.5Very low126 Ų126141.1 Ų141.167%0.67476%0.759SS**  89.9138.6126.9-122-23.6000124.2
254K32.3Very low28.3Very low164 Ų164138.7 Ų138.771%0.71376%0.755SS**  trans46.6105159.7-77.2145.2-165.4139.50124.2
255K27Very low28.9Very low186 Ų186138.1 Ų138.181%0.80976%0.758SS**  32.4119.3108-176.4-169.2174.5-177.60119.1
256S26.6Very low28.8Very low114 Ų114139.4 Ų139.480%0.79777%0.767SS**  -160.9160.1127.3-166.60000112.9
257E22.8Very low28.6Very low172 Ų172136.2 Ų136.280%0.80477%0.769SS**  trans-86.4169.9167.5-61.9157.580.600111.8
258G25.8Very low28.3Very low75 Ų75131.5 Ų131.577%0.77377%0.771SS**  trans108.3116.8168.600000113.3
259A26.3Very low28.4Very low96 Ų96132.4 Ų132.479%0.79378%0.775SS**  cis103.8140.729.600000114.2
260S27.4Very low28.6Very low110 Ų110130 Ų13077%0.76978%0.78SS**  trans71.6117164.1340000122.6
261E25.9Very low28.8Very low148 Ų148128.5 Ų128.569%0.69278%0.781SS**  trans74115.6133.4-64.4-159.590.600125.2
262K27.1Very low29.1Very low171 Ų171132.7 Ų132.774%0.74379%0.794SS**  54.9124.8127.2-61.9177.8-175.7151.20121.1
263R27.5Very low29.4Very low245 Ų245133.5 Ų133.593%0.92579%0.794SS**  -171.7133.298.6-101.7-179.8-166.9176.45.9113.2
264D26.8Very low29.5Very low147 Ų147132.3 Ų132.379%0.78680%0.796SS**  trans-74.1169.4156.7-45.3-92.8000110.6
265P37.8Very low29.7Very low123 Ų123134 Ų13480%0.79980%0.803SS**  -146.7153.384.538-21.7000117.3
266S28.5Very low30.7Very low130 Ų130132.2 Ų132.291%0.90980%0.803SS**  trans71.5123.5148-167.10000119.8
267G29.6Very low31.4Very low80 Ų80137 Ų13783%0.82581%0.809SS**  trans145.948.1163.300000116.6
268G27.3Very low32Very low76 Ų76131.7 Ų131.778%0.78480%0.802SS**  trans-87.2142.9179.700000114.1
269V30.8Very low32.5Very low143 Ų143137.6 Ų137.687%0.86781%0.806SS**  trans-169.7137.7137.3138.40000110.6
270A32.8Very low32.9Very low91 Ų91138.2 Ų138.275%0.75280%0.804SS**  trans39.3109.2161.600000120.8
271S32.4Very low33.5Very low123 Ų123139 Ų13986%0.8680%0.804SS**  trans-66138.2146.3-37.70000110.5
272N34.7Very low33.8Very low156 Ų156139.5 Ų139.583%0.83481%0.812SS**  -170.3157.1108.5-152.8-3.2000111.8
273V38.4Very low34.1Very low128 Ų128135.7 Ų135.778%0.77681%0.807SS**  trans-72.5143.7169.7175.90000109.9
274S31.4Very low34.6Very low100 Ų100128.8 Ų128.870%0.69980%0.796SS**  trans-134.4128.8171.4-170.80000111.6
275F37.5Very low35Very low199 Ų199127.7 Ų127.787%0.87379%0.794SS**  trans-93127.4-178.2-141.5-96.7000108.9
276N47.6Very low35.2Very low150 Ų150130.2 Ų130.280%0.80280%0.8SS**  trans-93.7133.6-173.6-85.8-88.2000112.5
277F41.3Very low35.2Very low213 Ų213127.1 Ų127.193%0.93479%0.789SS**  trans-147.8108.5175.3-161.6-85.2000111.7
278G34.4Very low35.3Very low62 Ų62129.3 Ų129.364%0.63979%0.791SS**  trans128.1129150.200000120.2
279K37Very low36Very low198 Ų198134.1 Ų134.186%0.86180%0.798SS**  trans75118.7131.4-57.8172.864.5-179.10121.6
280S35.8Very low36Very low109 Ų109131.4 Ų131.476%0.76280%0.799SS**  -151.2103.1121.156.50000109.4
281V38.3Very low36.2Very low127 Ų127133.5 Ų133.577%0.7781%0.808SS**  44.5122100.7-58.80000117
282D32.8Very low36.2Very low159 Ų159131 Ų13185%0.8580%0.802SS**  -147.9-175.8123.7-146.9-34.3000109.3
283S34.7Very low36.3Very low91 Ų91129.7 Ų129.764%0.63680%0.799SS**  trans-123.7166.7-16766.30000110.4
284S36.7Very low36.4Very low100 Ų100131 Ų13170%0.69980%0.801SS**  175.5-168.557.1-104.20000109.3
285V35.4Very low36.7Very low124 Ų124131.6 Ų131.675%0.75281%0.806SS**  trans87.7101154.6-167.60000119
286L41.4Very low36.5Very low175 Ų175126.3 Ų126.392%0.91679%0.794SS**  trans64.7152.4153.4-57.6170.8000119.1
287G29.4Very low36.3Very low65 Ų65127.9 Ų127.967%0.6779%0.793SS**  cis165.3156.8-10.900000114.9
288S31.4Very low35.9Very low126 Ų126123 Ų12388%0.88179%0.786SS**  trans79.9150.1170.4-149.50000119.4
289L41.5Very low36.4Very low178 Ų178129.4 Ų129.493%0.93280%0.796SS**  trans-114.9144.4177.4-70.3163.2000109.1
290G31.3Very low36.5Very low85 Ų85126.1 Ų126.188%0.87680%0.798SS**  trans-147.1125.5174.900000111.6
291S37.1Very low37.2Very low136 Ų136127 Ų12795%0.95180%0.802SS**  trans-110135.2178.4-176.80000110.1
292G31.9Very low37Very low70 Ų70124.7 Ų124.772%0.72280%0.804SS**  trans-174.1102.1-176.600000114.3
293T37.7Very low37.2Very low128 Ų128124.1 Ų124.179%0.78580%0.8SS**  trans-30.1145.2159.456.80000115.2
294L40Very low37.5Very low155 Ų155124.9 Ų124.981%0.81281%0.806SS**  -163.3-178.858.6-80.8170.5000112.7
295S37.1Very low37.6Very low114 Ų114123.5 Ų123.580%0.79781%0.807SS**  trans-2.8154.4144.3-690000119.4
296S34.6Very low38.1Very low88 Ų88125.3 Ų125.362%0.61581%0.812SS**  cis-178.4-171.9-4.9-177.30000106.5
297F43Very low38Very low182 Ų182126.4 Ų126.480%0.79881%0.81SS**  trans-50.6148.6173.255.3-96.7000114.4
298S31.7Very low38.1Very low112 Ų112126.5 Ų126.578%0.78381%0.811SS**  trans-153.7135.1158-169.10000111
299F45.2Very low38.5Very low195 Ų195129.3 Ų129.386%0.85581%0.807SS**  trans-112137166.6-78-101000107.7P301F299-P301 VanDerWaalsContact O-CD 3.32Å; F299-P301 WeakPolarHBondContact O-CD 3.41Å
300S39.8Very low38.1Very low129 Ų129127 Ų12790%0.90280%0.796SS**  trans-68.4126.1-176.4-54.10000113.1
301P50Low38.3Very low128 Ų128127.4 Ų127.483%0.83179%0.791SS**  trans-114.7147.5174.637.5-25.7000113.6F299F299-P301 VanDerWaalsContact O-CD 3.32Å; F299-P301 WeakPolarHBondContact O-CD 3.41Å
302G34.1Very low38.1Very low79 Ų79128 Ų12881%0.81478%0.783SS**  trans162.8140.2169.200000111.4
303N38.1Very low38.3Very low146 Ų146132.8 Ų132.878%0.78179%0.787SS**  cis-156.5150.4-4.3177.332.1000109.3
304S39.1Very low37.9Very low108 Ų108130.5 Ų130.576%0.75578%0.781SS**  trans30140158.7-60.40000121.1
305G39.4Very low37.6Very low70 Ų70133 Ų13372%0.72279%0.786SS**  cis136.1-175.312.700000110.8
306L47.2Very low37.2Very low162 Ų162132.7 Ų132.785%0.84878%0.783SS**  trans83.9146.3168.5-148.366.2000118.4
307F37.4Very low36.9Very low198 Ų198134.2 Ų134.287%0.86879%0.788SS**  trans-36.7165.8-174.9-57.1-76.5000119.1
308G33.5Very low36.2Very low68 Ų68131.9 Ų131.970%0.70179%0.789SS**  cis139.195.4-0.300000114.6
309K39.1Very low36.2Very low184 Ų184130.9 Ų130.980%0.879%0.788SS**  trans74.7134.1143-171.9165.4174.2169.70122.1
310D33.6Very low35.4Very low131 Ų131127.9 Ų127.970%0.70179%0.785SS**  trans74.2133.4157.9-68.6-7.9000124
311A34.5Very low35Very low93 Ų93126.5 Ų126.577%0.76978%0.775SS**  trans67.5100.2138.700000124.6
312N32.8Very low34Very low147 Ų147126.2 Ų126.279%0.78677%0.772SS**  73.5128.7114.3-152.8-6.4000122.9
313Q36.1Very low33.9Very low172 Ų172129 Ų12980%0.80477%0.768SS**  trans101.6144.8143.3-143.7174.811400121.6
314A29.1Very low33.5Very low80 Ų80128.7 Ų128.766%0.66177%0.765SS**  trans68.4125.8171.400000117.3
315K34.1Very low33.2Very low208 Ų208129.6 Ų129.690%0.90476%0.76SS**  68.4132.456-70.2-173.1176.6-1770112.8
316S28Very low32.9Very low107 Ų107134.7 Ų134.775%0.74877%0.765SS**  cis-158.1175.1-1.9-172.90000108.4
317V28.6Very low31.9Very low119 Ų119131.6 Ų131.672%0.72176%0.763SS**  166.7135.190.5160.50000110.1
318T29.4Very low31.7Very low133 Ų133130.2 Ų130.282%0.81676%0.76SS**  trans66.3144.5158.5-63.70000118.3
319A30.8Very low31.2Very low92 Ų92134.1 Ų134.176%0.7677%0.77SS**  cis-138-175.414.700000115.6
320V28.5Very low30.8Very low131 Ų131133.1 Ų133.179%0.79477%0.768SS**  trans-111.3124.3-177.2163.60000108.4
321S31.1Very low30.6Very low100 Ų100133.1 Ų133.170%0.69978%0.778SS**  100.5161.271.8-54.10000114.8
322T29.5Very low30.2Very low122 Ų122132.6 Ų132.675%0.74878%0.782SS**  trans80.2104.9165.365.80000122.7
323N31.9Very low30.1Very low139 Ų139131.5 Ų131.574%0.74379%0.786SS**  80138.7120.2-65.26.4000125.4
324I30.1Very low29.8Very low138 Ų138128.7 Ų128.771%0.70879%0.785SS**  106120.7127.9-92.6167.2000122.4
325L33Very low29.9Very low127 Ų127132.3 Ų132.367%0.66579%0.794SS**  trans56125.8148.1-54.2174.5000121.1
326E33.3Very low29.7Very low177 Ų177128.2 Ų128.283%0.82778%0.781SS**  75.1152.996.6-62.4-178156.600114.7
327A26.4Very low30Very low97 Ų97131.4 Ų131.480%0.80278%0.782SS**  cis-148.9-176.22600000115
328Q32.4Very low30Very low170 Ų170129.7 Ų129.779%0.79479%0.789SS**  trans-92170.3176.4-57.7167.1-75.800112.6
329T23.8Very low30.2Very low149 Ų149127.1 Ų127.191%0.91479%0.789SS**  trans-162.2168.8147.60.50000111
330E30.3Very low30.4Very low164 Ų164132.2 Ų132.277%0.76680%0.797SS**  trans-131.5151.1-152.7-61.2164.3-149.800114.7
331S29.1Very low31Very low130 Ų130135 Ų13591%0.90980%0.801SS**  trans68144.8158.277.30000119.8
332G26.8Very low31.7Very low83 Ų83139.3 Ų139.386%0.85681%0.81SS**  trans159.7134.7173.400000111.8
333S29.4Very low32.4Very low124 Ų124142 Ų14287%0.86781%0.814SS**  trans-129136.1-173-179.90000112.8
334S30.2Very low33.3Very low113 Ų113142.5 Ų142.579%0.7982%0.817SS**  trans-172.2142.6156.656.10000111.7
335D30.8Very low34.5Very low156 Ų156142.2 Ų142.283%0.83481%0.812SS**  trans-72.3157.5-177.9-48.8-102.1000115.4
336D30.5Very low36.1Very low121 Ų121141.2 Ų141.265%0.64781%0.813SS**  169.8141.1101.9-169.9-143.8000113.3
337K34.9Very low37.6Very low174 Ų174138.6 Ų138.676%0.75781%0.812SS**  trans40.4122167.5-70.9163.3-164.770.50119
338G28.5Very low39.2Very low84 Ų84141 Ų14187%0.86680%0.804SS**  cis124.6129.640.400000109.6
339G32.1Very low40.6Very low79 Ų79138.2 Ų138.281%0.81480%0.799SS**  trans169.9122.9-17900000110.3
340E35.7Very low42Very low198 Ų198137.6 Ų137.693%0.92579%0.788SS**  trans-101.7113-174.2-67.7165.3-160.800110
341E40.3Very low43.1Very low191 Ų191134.2 Ų134.289%0.89378%0.779SS**  trans-130111.5160.7-71.1-167.6-178.900108.9E343E341-E343 VanDerWaalsContact C-N 3.33Å; E341-E343 PolarHBondContact O-N 3.38Å; E341-E343 VanDerWaalsContact O-N 3.08Å
342E45.9Very low44.5Very low189 Ų189133.8 Ų133.888%0.88377%0.766SS**  trans-80.978.5179.3-171.3168.6-142.100108.8D344E342-D344 PolarHBondContact O-N 2.87Å
343E44.6Very low46Very low180 Ų180134.1 Ų134.184%0.84175%0.746SS**  trans-72.995.4177.8-168.4171.3-150.400110.2E341 E345E341-E343 VanDerWaalsContact C-N 3.33Å; E341-E343 PolarHBondContact O-N 3.38Å; E341-E343 VanDerWaalsContact O-N 3.08Å; E343-E345 VanDerWaalsContact C-N 3.31Å; E343-E345 PolarHBondContact O-N 2.83Å
344D50.9Low47.3Very low149 Ų149131.9 Ų131.980%0.79772%0.723SS**  trans-55.683.7172.7-101.7-40.6000111.3E342 P346E342-D344 PolarHBondContact O-N 2.87Å; D344-P346 WeakPolarHBondContact O-CD 3.27Å; D344-P346 VanDerWaalsContact O-N 3.12Å
345E54.6Low48.8Very low131 Ų131133.5 Ų133.561%0.61272%0.716SS**  trans-60.3113.7171.4-86.6-156.6136.100109.6E343 K348E343-E345 VanDerWaalsContact C-N 3.31Å; E343-E345 PolarHBondContact O-N 2.83Å; E345-K348 WeakPolarHBondContact OE1-CE 3.43Å; E345-K348 IonicContact OE1-NZ 2.7Å; E345-K348 PolarHBondContact OE1-NZ 2.79Å; E345-K348 IonicContact OE2-NZ 2.65Å; E345-K348 PolarHBondContact OE2-NZ 3.36Å
346P67.1Low50.4Low106 Ų106127 Ų12769%0.68868%0.681SS**  trans-64.1137.4-179.426.1-33.8000110D344 K348D344-P346 WeakPolarHBondContact O-CD 3.27Å; D344-P346 VanDerWaalsContact O-N 3.12Å; P346-K348 PolarHBondContact O-N 2.95Å
347P65Low51.9Low122 Ų122128.3 Ų128.379%0.79269%0.688SS**  trans-58.1115.1-166.819.8-32.5000111.8V349P347-V349 PolarHBondContact O-N 2.82Å
348K60.8Low53.9Low147 Ų147125.6 Ų125.664%0.63968%0.681SS**  trans-56.1106.3-176.9-74.8155.6179.2160.50110E345 P346 I350E345-K348 WeakPolarHBondContact OE1-CE 3.43Å; E345-K348 IonicContact OE1-NZ 2.7Å; E345-K348 PolarHBondContact OE1-NZ 2.79Å; E345-K348 IonicContact OE2-NZ 2.65Å; E345-K348 PolarHBondContact OE2-NZ 3.36Å; P346-K348 PolarHBondContact O-N 2.95Å; K348-I350 PolarHBondContact O-N 3.42Å
349V61.7Low56.7Low113 Ų113122.3 Ų122.369%0.68565%0.646SS**  trans-61.3105.7-176.81770000109.5P347 V351P347-V349 PolarHBondContact O-N 2.82Å; V349-V351 HydrophobicContact CG1-CG2 4.43Å; V349-V351 PolarHBondContact O-N 2.8Å
350I52.3Low59.5Low135 Ų135123.5 Ų123.569%0.69263%0.629SS**  trans-71.393.8177.8-55.9178.1000108.1K348 N352K348-I350 PolarHBondContact O-N 3.42Å; I350-N352 WeakPolarHBondContact CG2-OD1 3.28Å; I350-N352 PolarHBondContact O-N 2.85Å
351V55Low62.2Low93 Ų93115.1 Ų115.156%0.56459%0.589SS**  trans-70.283.9168.5179.40000107.9V349 E353V349-V351 HydrophobicContact CG1-CG2 4.43Å; V349-V351 PolarHBondContact O-N 2.8Å; V351-E353 PolarHBondContact O-N 2.8Å
352N56.5Low64.8Low122 Ų122108.8 Ų108.865%0.65257%0.566SS**  trans-67.582.4164.4-84.7-10.2000108.4I350 I354I350-N352 WeakPolarHBondContact CG2-OD1 3.28Å; I350-N352 PolarHBondContact O-N 2.85Å; N352-I354 PolarHBondContact O-N 2.77Å
353E59.4Low67.2Low90 Ų90103.3 Ų103.342%0.42154%0.539SS..  trans-52.8112.8159.7-180176.6-126.200107V351 K355 K364V351-E353 PolarHBondContact O-N 2.8Å; E353-K355 VanDerWaalsContact C-N 3.27Å; E353-K355 PolarHBondContact O-N 2.78Å; E353-K364 WeakPolarHBondContact OE1-CE 3.38Å; E353-K364 IonicContact OE1-NZ 3.98Å; E353-K364 PolarHBondContact OE1-NZ 3.1Å
354I56.2Low69.6Low77 Ų7799 Ų9940%0.39552%0.517SS..  trans-71.486.7-172.2-55.1-179.4000108.5N352 E356N352-I354 PolarHBondContact O-N 2.77Å; I354-E356 HydrophobicContact CG2-CG 4.45Å; I354-E356 PolarHBondContact O-N 3.45Å
355K61.1Low71.7Confident147 Ų14792.3 Ų92.364%0.63948%0.482SS*.  trans-69.9119172.6-69.3174.3-173.7173.70108E353E353-K355 VanDerWaalsContact C-N 3.27Å; E353-K355 PolarHBondContact O-N 2.78Å
356E65.9Low73.7Confident20 Ų2089.2 Ų89.29%0.09347%0.467CS..  trans-99.185.5176.5-67.3-155.3147.200109I354 D358 A359 K386 L396 R398I354-E356 HydrophobicContact CG2-CG 4.45Å; I354-E356 PolarHBondContact O-N 3.45Å; E356-D358 PolarHBondContact O-N 3.03Å; E356-A359 WeakPolarHBondContact O-CB 3.45Å; E356-A359 PolarHBondContact O-N 2.98Å; E356-K386 VanDerWaalsContact CD-NZ 3.27Å; E356-K386 IonicContact OE1-NZ 3.78Å; E356-K386 WeakPolarHBondContact OE2-CE 3.46Å; E356-K386 IonicContact OE2-NZ 2.75Å; E356-K386 PolarHBondContact OE2-NZ 2.92Å; E356-L396 VanDerWaalsContact OE2-CD2 3.28Å; E356-L396 WeakPolarHBondContact OE2-CD2 3.39Å; E356-R398 IonicContact OE1-CZ 2.65Å; E356-R398 IonicContact OE1-NE 2.98Å; E356-R398 PolarHBondContact OE1-NE 2.75Å; E356-R398 IonicContact OE1-NH2 3.69Å; E356-R398 PolarHBondContact OE1-NH2 2.99Å
357D62.5Low75.1Confident148 Ų14884.2 Ų84.279%0.79143%0.434SS*.THydrogen-bonded Turntrans-64.7-13.8-166.3-60-43.3000114.5A359D357-A359 PolarHBondContact O-N 2.92Å
358D76.6Confident76.6Confident117 Ų11780.1 Ų80.163%0.62640%0.404SS*.THydrogen-bonded Turntrans-72.4-5.6170.8-32.7-70.4000114.2E356 F360 K386E356-D358 PolarHBondContact O-N 3.03Å; D358-F360 PolarHBondContact O-N 3.2Å; D358-K386 HydrophobicContact CB-CD 4.39Å; D358-K386 HydrophobicContact CB-CG 4.46Å; D358-K386 IonicContact OD2-NZ 2.78Å; D358-K386 PolarHBondContact OD2-NZ 3.41Å
359A87.1Confident78.2Confident15 Ų1575.2 Ų75.212%0.12438%0.382CS..  trans-91.1100.5-170.700000113.1E356 D357 Y361 S362 H384 L385 K386E356-A359 WeakPolarHBondContact O-CB 3.45Å; E356-A359 PolarHBondContact O-N 2.98Å; D357-A359 PolarHBondContact O-N 2.92Å; A359-Y361 PolarHBondContact O-N 3.02Å; A359-S362 WeakPolarHBondContact CB-OG 3.21Å; A359-H384 HydrophobicContact CB-CB 3.77Å; A359-L385 CarbonylContact C-O 3.6Å; A359-L385 VanDerWaalsContact CA-O 3.28Å; A359-L385 WeakPolarHBondContact CA-O 3.37Å; A359-K386 HydrophobicContact CB-CG 3.95Å
360F90.9Very high79.7Confident104 Ų10473.7 Ų73.746%0.45637%0.366SS..SBendtrans-62.3-16.2-179.269-100.1000114.8D358 L385 T393 I463 K467D358-F360 PolarHBondContact O-N 3.2Å; F360-L385 WeakPolarHBondContact CD1-O 3.37Å; F360-L385 HydrophobicContact CE1-CB 4.07Å; F360-L385 HydrophobicContact CE2-CB 4.01Å; F360-L385 HydrophobicContact CE2-CD1 4.37Å; F360-L385 HydrophobicContact CZ-CB 3.69Å; F360-L385 HydrophobicContact CZ-CD1 4.46Å; F360-L385 PolarHBondContact N-O 3.35Å; F360-L385 VanDerWaalsContact N-O 3.12Å; F360-T393 HydrophobicContact CE1-CG2 3.98Å; F360-T393 HydrophobicContact CZ-CG2 3.82Å; F360-I463 HydrophobicContact CE2-CG2 3.95Å; F360-I463 HydrophobicContact CZ-CG2 4.47Å; F360-K467 HydrophobicContact CZ-CG 4.42Å
361Y92.6Very high81.5Confident22 Ų2270.4 Ų70.49%0.08635%0.346CS..EExtended strand (participates in β ladder)trans-138.5124.5168.9-179.4-87.7000109.3A359 K363 L383 H384 L385 D456 E459 L460 I463A359-Y361 PolarHBondContact O-N 3.02Å; Y361-K363 HydrophobicContact CE1-CB 3.85Å; Y361-L383 HydrophobicContact CD1-CD2 4.01Å; Y361-L383 HydrophobicContact CE1-CD2 4.12Å; Y361-H384 CarbonylContact O-C 3.57Å; Y361-H384 WeakPolarHBondContact O-CA 3.19Å; Y361-L385 HydrophobicContact CD1-CD1 4.1Å; Y361-L385 HydrophobicContact CD1-CG 4.25Å; Y361-L385 HydrophobicContact CG-CD1 4.35Å; Y361-L385 PolarHBondContact O-N 2.75Å; Y361-D456 PolarHBondContact OH-O 2.93Å; Y361-E459 HydrophobicContact CE2-CB 4.41Å; Y361-L460 HydrophobicContact CD1-CD1 4.48Å; Y361-L460 HydrophobicContact CE1-CB 4.47Å; Y361-L460 HydrophobicContact CE1-CD1 4.01Å; Y361-I463 HydrophobicContact CD2-CD1 3.43Å; Y361-I463 VanDerWaalsContact CD2-CD1 3.43Å; Y361-I463 HydrophobicContact CE2-CD1 3.83Å; Y361-I463 HydrophobicContact CG-CD1 3.95Å
362S94.7Very high83.1Confident57 Ų5772.1 Ų72.140%0.39935%0.352SS..EExtended strand (participates in β ladder)trans-134.1122.8179.5-68.20000110.7A359 L383 H384A359-S362 WeakPolarHBondContact CB-OG 3.21Å; S362-L383 CarbonylContact C-O 3.33Å; S362-L383 VanDerWaalsContact CA-O 3.27Å; S362-L383 WeakPolarHBondContact CA-O 3.36Å; S362-H384 PolarHBondContact OG-ND1 2.75Å
363K95.2Very high84.5Confident74 Ų7472.5 Ų72.532%0.32235%0.354SS..EExtended strand (participates in β ladder)trans-148.3140.3179.5-143.490.4-167.5-147.90113Y361 L383 D456Y361-K363 HydrophobicContact CE1-CB 3.85Å; K363-L383 PolarHBondContact N-O 2.67Å; K363-L383 PolarHBondContact O-N 3.43Å; K363-D456 VanDerWaalsContact CE-CG 3.47Å; K363-D456 WeakPolarHBondContact CE-OD1 3.32Å; K363-D456 IonicContact NZ-OD1 3.2Å; K363-D456 PolarHBondContact NZ-OD1 2.97Å; K363-D456 IonicContact NZ-OD2 2.75Å
364K95Very high86.2Confident90 Ų9073.8 Ų73.839%0.39136%0.361SS..EExtended strand (participates in β ladder)trans-72.3134.2174.6-59.2-146.9172.4-166.30111.5E353 D400E353-K364 WeakPolarHBondContact OE1-CE 3.38Å; E353-K364 IonicContact OE1-NZ 3.98Å; E353-K364 PolarHBondContact OE1-NZ 3.1Å; K364-D400 WeakPolarHBondContact CD-OD2 3.24Å; K364-D400 IonicContact NZ-OD1 2.63Å; K364-D400 PolarHBondContact NZ-OD1 3.24Å; K364-D400 IonicContact NZ-OD2 2.75Å; K364-D400 PolarHBondContact NZ-OD2 2.77Å
365C95.9Very high88Confident8 Ų874.4 Ų74.45%0.05436%0.361CS..EExtended strand (participates in β ladder)trans-145.9165.7-174.474.50000112.5G381 I449 R450 V451C365-G381 PolarHBondContact N-O 2.87Å; C365-G381 PolarHBondContact O-N 2.89Å; C365-G381 PolarHBondContact SG-O 3.13Å; C365-G381 VanDerWaalsContact SG-O 3.42Å; C365-I449 HydrophobicContact CB-CG2 3.9Å; C365-R450 CarbonylContact C-O 3.53Å; C365-R450 WeakPolarHBondContact CA-O 3.48Å; C365-R450 WeakPolarHBondContact CB-O 3.18Å; C365-V451 HydrophobicContact CB-CG1 3.96Å
366K96.8Very high89.6Confident66 Ų6670.7 Ų70.729%0.28734%0.344SS..EExtended strand (participates in β ladder)trans-115.1128.5165.2-175.5-178.4-81.6-89.20108.4F368 E377 V380 R450K366-F368 HydrophobicContact CB-CE2 4.1Å; K366-F368 HydrophobicContact CD-CE1 4.15Å; K366-F368 HydrophobicContact CD-CE2 3.75Å; K366-F368 HydrophobicContact CD-CZ 3.34Å; K366-F368 HydrophobicContact CG-CD2 4.41Å; K366-F368 HydrophobicContact CG-CE2 3.68Å; K366-F368 HydrophobicContact CG-CZ 3.77Å; K366-E377 HydrophobicContact CD-CG 4.44Å; K366-E377 WeakPolarHBondContact CD-OE2 3.38Å; K366-E377 HydrophobicContact CG-CG 4.23Å; K366-E377 IonicContact NZ-OE1 3.65Å; K366-E377 PolarHBondContact NZ-OE1 2.65Å; K366-E377 IonicContact NZ-OE2 3.68Å; K366-E377 PolarHBondContact NZ-OE2 2.81Å; K366-V380 HydrophobicContact CB-CG2 4.22Å; K366-V380 HydrophobicContact CD-CG2 4.29Å; K366-V380 HydrophobicContact CG-CG2 3.91Å; K366-R450 PolarHBondContact N-O 3.48Å; K366-R450 PolarHBondContact O-N 2.92Å
367L96.1Very high91Very high1 Ų174 Ų741%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-104.4129.5-173.6-175.667.1000110.4K378 G379 L407 L408 M447 I449L367-K378 HydrophobicContact CD2-CB 4.32Å; L367-K378 HydrophobicContact CD2-CD 4.27Å; L367-K378 HydrophobicContact CG-CB 4.36Å; L367-K378 PolarHBondContact O-N 2.7Å; L367-G379 PolarHBondContact N-O 3.18Å; L367-G379 PolarHBondContact O-N 3.39Å; L367-L407 HydrophobicContact CD2-CB 4.15Å; L367-L408 HydrophobicContact CD1-CD2 4.46Å; L367-L408 HydrophobicContact CD2-CB 3.86Å; L367-L408 HydrophobicContact CD2-CD2 4.32Å; L367-M447 HydrophobicContact CD1-CB 4.45Å; L367-M447 HydrophobicContact CD1-CE 3.81Å; L367-M447 HydrophobicContact CD2-CE 3.82Å; L367-M447 HydrophobicContact CG-CE 3.72Å; L367-I449 HydrophobicContact CD1-CG1 3.79Å
368F95.9Very high92.4Very high37 Ų3769.2 Ų69.216%0.16233%0.332CS..EExtended strand (participates in β ladder)trans-123.9157.5176.2-55.1-100.8000110.7K366 F375 K376 E377 M447 L448 R450K366-F368 HydrophobicContact CB-CE2 4.1Å; K366-F368 HydrophobicContact CD-CE1 4.15Å; K366-F368 HydrophobicContact CD-CE2 3.75Å; K366-F368 HydrophobicContact CD-CZ 3.34Å; K366-F368 HydrophobicContact CG-CD2 4.41Å; K366-F368 HydrophobicContact CG-CE2 3.68Å; K366-F368 HydrophobicContact CG-CZ 3.77Å; F368-F375 HydrophobicContact CB-CD1 4.43Å; F368-K376 CarbonylContact C-O 3.58Å; F368-K376 WeakPolarHBondContact CA-O 3.37Å; F368-K376 WeakPolarHBondContact CB-O 3.3Å; F368-E377 HydrophobicContact CD1-CB 3.98Å; F368-E377 HydrophobicContact CD1-CG 4.46Å; F368-E377 HydrophobicContact CE1-CB 4.07Å; F368-E377 HydrophobicContact CE1-CG 4.38Å; F368-M447 CarbonylContact O-C 3.57Å; F368-M447 WeakPolarHBondContact O-CA 3.45Å; F368-L448 HydrophobicContact CB-CB 4.26Å; F368-L448 HydrophobicContact CD2-CD2 3.66Å; F368-L448 HydrophobicContact CE2-CD2 4.21Å; F368-L448 HydrophobicContact CG-CD2 4.44Å; F368-L448 PolarHBondContact N-O 2.91Å; F368-L448 PolarHBondContact O-N 2.87Å; F368-R450 HydrophobicContact CE2-CB 4.11Å
369Y94.8Very high93.3Very high43 Ų4364.4 Ų64.417%0.16931%0.31CS..EExtended strand (participates in β ladder)trans-128.8145.3174.764.5-86.2000110.7K371 F375 K376 E377 K378 I436 M447Y369-K371 HydrophobicContact CD2-CB 3.88Å; Y369-K371 HydrophobicContact CE2-CB 3.71Å; Y369-K371 HydrophobicContact CE2-CD 4.14Å; Y369-F375 WeakPolarHBondContact O-CA 3.19Å; Y369-K376 HydrophobicContact CD1-CB 4.34Å; Y369-K376 WeakPolarHBondContact CD1-O 3Å; Y369-K376 HydrophobicContact CD2-CB 4.43Å; Y369-K376 HydrophobicContact CE1-CB 3.79Å; Y369-K376 HydrophobicContact CE2-CB 3.88Å; Y369-K376 PolarHBondContact N-O 3.02Å; Y369-K376 PolarHBondContact O-N 2.9Å; Y369-E377 WeakPolarHBondContact CE1-O 3.44Å; Y369-K378 HydrophobicContact CD1-CB 4.01Å; Y369-K378 HydrophobicContact CE1-CB 4.4Å; Y369-I436 HydrophobicContact CD1-CD1 4.28Å; Y369-I436 HydrophobicContact CD1-CG2 4.33Å; Y369-I436 HydrophobicContact CD2-CD1 4.32Å; Y369-I436 HydrophobicContact CD2-CG2 3.63Å; Y369-I436 HydrophobicContact CE1-CG2 4.23Å; Y369-I436 HydrophobicContact CE2-CG2 3.5Å; Y369-I436 VanDerWaalsContact CE2-CG2 3.5Å; Y369-I436 HydrophobicContact CG-CD1 3.86Å; Y369-I436 HydrophobicContact CG-CG2 4.04Å; Y369-M447 VanDerWaalsContact CB-SD 3.56Å
370K93.3Very high93.7Very high81 Ų8166.7 Ų66.735%0.35232%0.322SS..EExtended strand (participates in β ladder)trans-86115.5176.5-169.6178.7173.5-172.80110.4N373 E374 F375 T446K370-N373 WeakPolarHBondContact CE-OD1 3.49Å; K370-N373 PolarHBondContact NZ-OD1 3.44Å; K370-E374 CarbonylContact C-O 3.59Å; K370-E374 VanDerWaalsContact CA-O 3.3Å; K370-E374 WeakPolarHBondContact CA-O 3.22Å; K370-F375 HydrophobicContact CB-CD1 4.2Å; K370-F375 HydrophobicContact CB-CE1 3.95Å; K370-F375 HydrophobicContact CB-CZ 4.44Å; K370-F375 HydrophobicContact CD-CZ 4.43Å; K370-T446 WeakPolarHBondContact CB-O 3.35Å; K370-T446 PolarHBondContact N-O 3.01Å
371K90.9Very high93.9Very high66 Ų6661.8 Ų61.829%0.28730%0.301SS..EExtended strand (participates in β ladder)trans-132.7133.4173.6178157.5-178.1165.90109.7Y369 N373 E374 D437Y369-K371 HydrophobicContact CD2-CB 3.88Å; Y369-K371 HydrophobicContact CE2-CB 3.71Å; Y369-K371 HydrophobicContact CE2-CD 4.14Å; K371-N373 PolarHBondContact O-N 2.91Å; K371-N373 VanDerWaalsContact O-N 3.14Å; K371-E374 PolarHBondContact N-O 3.15Å; K371-E374 PolarHBondContact O-N 3.35Å; K371-E374 VanDerWaalsContact O-O 3.06Å; K371-D437 IonicContact NZ-OD2 3.13Å; K371-D437 PolarHBondContact NZ-OD2 3.14Å
372D87.3Confident94Very high129 Ų12961.6 Ų61.669%0.6930%0.302SS*.THydrogen-bonded Turntrans55.529.9-178.1-47.5-43.6000114.2E374D372-E374 VanDerWaalsContact C-N 3.26Å; D372-E374 PolarHBondContact O-N 3.21Å
373N86.8Confident94Very high130 Ų13058.9 Ų58.970%0.69528%0.283SS*.THydrogen-bonded Turntrans70.4-4.4-169.6-67.6-69.7000118K370 K371K370-N373 WeakPolarHBondContact CE-OD1 3.49Å; K370-N373 PolarHBondContact NZ-OD1 3.44Å; K371-N373 PolarHBondContact O-N 2.91Å; K371-N373 VanDerWaalsContact O-N 3.14Å
374E94Very high94Very high118 Ų11855.9 Ų55.955%0.55127%0.27SS*.EExtended strand (participates in β ladder)trans-90.8153.3173-173.2173.6-129.900111.4K370 K371 D372 K376K370-E374 CarbonylContact C-O 3.59Å; K370-E374 VanDerWaalsContact CA-O 3.3Å; K370-E374 WeakPolarHBondContact CA-O 3.22Å; K371-E374 PolarHBondContact N-O 3.15Å; K371-E374 PolarHBondContact O-N 3.35Å; K371-E374 VanDerWaalsContact O-O 3.06Å; D372-E374 VanDerWaalsContact C-N 3.26Å; D372-E374 PolarHBondContact O-N 3.21Å; E374-K376 WeakPolarHBondContact OE2-CE 3.43Å; E374-K376 IonicContact OE2-NZ 2.67Å
375F94.4Very high94Very high89 Ų8951.6 Ų51.639%0.3925%0.252SS..EExtended strand (participates in β ladder)trans-95.3115.9171.4-76.2-80.8000110.4F368 Y369 K370 L427 L448F368-F375 HydrophobicContact CB-CD1 4.43Å; Y369-F375 WeakPolarHBondContact O-CA 3.19Å; K370-F375 HydrophobicContact CB-CD1 4.2Å; K370-F375 HydrophobicContact CB-CE1 3.95Å; K370-F375 HydrophobicContact CB-CZ 4.44Å; K370-F375 HydrophobicContact CD-CZ 4.43Å; F375-L427 HydrophobicContact CE1-CD2 3.86Å; F375-L427 HydrophobicContact CZ-CD2 3.83Å; F375-L448 HydrophobicContact CD1-CB 4.05Å; F375-L448 HydrophobicContact CD1-CD1 4.45Å; F375-L448 HydrophobicContact CE1-CB 3.84Å; F375-L448 HydrophobicContact CE1-CD1 4.19Å; F375-L448 HydrophobicContact CZ-CD1 4.34Å
376K94.7Very high93.8Very high69 Ų6952.6 Ų52.630%0.326%0.255SS..EExtended strand (participates in β ladder)trans-106.2143.7177.9-66.3-178.8-179.4175.40109.8F368 Y369 E374F368-K376 CarbonylContact C-O 3.58Å; F368-K376 WeakPolarHBondContact CA-O 3.37Å; F368-K376 WeakPolarHBondContact CB-O 3.3Å; Y369-K376 HydrophobicContact CD1-CB 4.34Å; Y369-K376 WeakPolarHBondContact CD1-O 3Å; Y369-K376 HydrophobicContact CD2-CB 4.43Å; Y369-K376 HydrophobicContact CE1-CB 3.79Å; Y369-K376 HydrophobicContact CE2-CB 3.88Å; Y369-K376 PolarHBondContact N-O 3.02Å; Y369-K376 PolarHBondContact O-N 2.9Å; E374-K376 WeakPolarHBondContact OE2-CE 3.43Å; E374-K376 IonicContact OE2-NZ 2.67Å
377E95.2Very high93.5Very high91 Ų9153.8 Ų53.843%0.42527%0.269SS..EExtended strand (participates in β ladder)trans-74.6135.8-179.8-173.6169.415600110.8K366 F368 Y369K366-E377 HydrophobicContact CD-CG 4.44Å; K366-E377 WeakPolarHBondContact CD-OE2 3.38Å; K366-E377 HydrophobicContact CG-CG 4.23Å; K366-E377 IonicContact NZ-OE1 3.65Å; K366-E377 PolarHBondContact NZ-OE1 2.65Å; K366-E377 IonicContact NZ-OE2 3.68Å; K366-E377 PolarHBondContact NZ-OE2 2.81Å; F368-E377 HydrophobicContact CD1-CB 3.98Å; F368-E377 HydrophobicContact CD1-CG 4.46Å; F368-E377 HydrophobicContact CE1-CB 4.07Å; F368-E377 HydrophobicContact CE1-CG 4.38Å; Y369-E377 WeakPolarHBondContact CE1-O 3.44Å
378K92.5Very high93Very high47 Ų4754.7 Ų54.720%0.20428%0.277CS..EExtended strand (participates in β ladder)trans-96.4-32.7168.3-156.6175.3-175.8-172.20111.8L367 Y369 L407 P434 I436 M447L367-K378 HydrophobicContact CD2-CB 4.32Å; L367-K378 HydrophobicContact CD2-CD 4.27Å; L367-K378 HydrophobicContact CG-CB 4.36Å; L367-K378 PolarHBondContact O-N 2.7Å; Y369-K378 HydrophobicContact CD1-CB 4.01Å; Y369-K378 HydrophobicContact CE1-CB 4.4Å; K378-L407 WeakPolarHBondContact CD-O 3.17Å; K378-L407 WeakPolarHBondContact CE-O 3.33Å; K378-L407 PolarHBondContact NZ-O 2.62Å; K378-P434 PolarHBondContact NZ-O 3.29Å; K378-I436 HydrophobicContact CD-CD1 4.16Å; K378-I436 HydrophobicContact CD-CG1 4.23Å; K378-M447 HydrophobicContact CD-CE 4.28Å
379G94.6Very high91.8Very high15 Ų1557.1 Ų57.116%0.15531%0.313CS..EExtended strand (participates in β ladder)trans160.2179.5172.100000114.1L367L367-G379 PolarHBondContact N-O 3.18Å; L367-G379 PolarHBondContact O-N 3.39Å
380V95.7Very high90.6Very high64 Ų6461.1 Ų61.139%0.38834%0.337SS..EExtended strand (participates in β ladder)trans-105.5137.8171.1179.40000108.9K366 A399 D400K366-V380 HydrophobicContact CB-CG2 4.22Å; K366-V380 HydrophobicContact CD-CG2 4.29Å; K366-V380 HydrophobicContact CG-CG2 3.91Å; V380-A399 WeakPolarHBondContact O-CA 3.37Å; V380-D400 PolarHBondContact O-N 2.79Å; V380-D400 VanDerWaalsContact O-N 3.13Å
381G95.3Very high89.7Confident0 Ų065.9 Ų65.90%036%0.36CS..EExtended strand (participates in β ladder)trans-172.3171.3-173.400000114.9C365 R398C365-G381 PolarHBondContact N-O 2.87Å; C365-G381 PolarHBondContact O-N 2.89Å; C365-G381 PolarHBondContact SG-O 3.13Å; C365-G381 VanDerWaalsContact SG-O 3.42Å; G381-R398 CarbonylContact C-O 3.48Å; G381-R398 WeakPolarHBondContact CA-O 3.04Å
382T95.3Very high89.5Confident18 Ų1867.6 Ų67.611%0.1137%0.368CS..EExtended strand (participates in β ladder)trans-90.3126.1171.4-52.50000109.2H384 V397 R398T382-H384 WeakPolarHBondContact CG2-CE1 3.38Å; T382-H384 WeakPolarHBondContact CG2-NE2 3.31Å; T382-H384 PolarHBondContact O-CD2 2.75Å; T382-V397 WeakPolarHBondContact O-CA 3.28Å; T382-R398 PolarHBondContact N-O 3.25Å; T382-R398 PolarHBondContact O-N 2.86Å
383L95.7Very high89.7Confident1 Ų161.7 Ų61.71%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-86.9132.1169.7177.9151.7000108.7Y361 S362 K363 L385 L395 L396 V397 I449 L460Y361-L383 HydrophobicContact CD1-CD2 4.01Å; Y361-L383 HydrophobicContact CE1-CD2 4.12Å; S362-L383 CarbonylContact C-O 3.33Å; S362-L383 VanDerWaalsContact CA-O 3.27Å; S362-L383 WeakPolarHBondContact CA-O 3.36Å; K363-L383 PolarHBondContact N-O 2.67Å; K363-L383 PolarHBondContact O-N 3.43Å; L383-L385 HydrophobicContact CD2-CD2 3.98Å; L383-L385 HydrophobicContact CD2-CG 3.9Å; L383-L395 HydrophobicContact CD1-CD1 4.35Å; L383-L395 HydrophobicContact CD1-CD2 4.12Å; L383-L395 HydrophobicContact CD1-CG 4.2Å; L383-L395 HydrophobicContact CG-CD2 4.49Å; L383-L395 HydrophobicContact CG-CG 4.49Å; L383-L396 CarbonylContact C-O 3.47Å; L383-L396 WeakPolarHBondContact CA-O 3.42Å; L383-V397 HydrophobicContact CB-CG2 4.07Å; L383-V397 HydrophobicContact CD1-CG2 4.14Å; L383-V397 HydrophobicContact CG-CG2 4.12Å; L383-I449 HydrophobicContact CD1-CD1 3.81Å; L383-I449 HydrophobicContact CD1-CG2 4.18Å; L383-L460 HydrophobicContact CD1-CD1 4.48Å; L383-L460 HydrophobicContact CD1-CD2 4.38Å; L383-L460 HydrophobicContact CD2-CD1 4.08Å
384H94.6Very high90Very high11 Ų1157.9 Ų57.95%0.05132%0.315CS..EExtended strand (participates in β ladder)trans-124.1130178.3-59.4-77.7000109A359 Y361 S362 T382 L396A359-H384 HydrophobicContact CB-CB 3.77Å; Y361-H384 CarbonylContact O-C 3.57Å; Y361-H384 WeakPolarHBondContact O-CA 3.19Å; S362-H384 PolarHBondContact OG-ND1 2.75Å; T382-H384 WeakPolarHBondContact CG2-CE1 3.38Å; T382-H384 WeakPolarHBondContact CG2-NE2 3.31Å; T382-H384 PolarHBondContact O-CD2 2.75Å; H384-L396 PolarHBondContact N-O 3.46Å; H384-L396 PolarHBondContact O-N 3.36Å
385L93.7Very high90Very high0 Ų052.3 Ų52.30%029%0.288CS..EExtended strand (participates in β ladder)trans-105120.8168.8-59.4-178.6000109.2A359 F360 Y361 L383 T393 Q394 L395 I412 L460 I463A359-L385 CarbonylContact C-O 3.6Å; A359-L385 VanDerWaalsContact CA-O 3.28Å; A359-L385 WeakPolarHBondContact CA-O 3.37Å; F360-L385 WeakPolarHBondContact CD1-O 3.37Å; F360-L385 HydrophobicContact CE1-CB 4.07Å; F360-L385 HydrophobicContact CE2-CB 4.01Å; F360-L385 HydrophobicContact CE2-CD1 4.37Å; F360-L385 HydrophobicContact CZ-CB 3.69Å; F360-L385 HydrophobicContact CZ-CD1 4.46Å; F360-L385 PolarHBondContact N-O 3.35Å; F360-L385 VanDerWaalsContact N-O 3.12Å; Y361-L385 HydrophobicContact CD1-CD1 4.1Å; Y361-L385 HydrophobicContact CD1-CG 4.25Å; Y361-L385 HydrophobicContact CG-CD1 4.35Å; Y361-L385 PolarHBondContact O-N 2.75Å; L383-L385 HydrophobicContact CD2-CD2 3.98Å; L383-L385 HydrophobicContact CD2-CG 3.9Å; L385-T393 HydrophobicContact CB-CG2 4Å; L385-T393 HydrophobicContact CD2-CG2 4.34Å; L385-Q394 WeakPolarHBondContact CA-O 3.42Å; L385-L395 HydrophobicContact CD2-CB 3.81Å; L385-L395 HydrophobicContact CD2-CD1 4.19Å; L385-L395 HydrophobicContact CD2-CG 3.75Å; L385-I412 HydrophobicContact CD2-CD1 4.4Å; L385-L460 HydrophobicContact CD1-CD1 4.22Å; L385-I463 HydrophobicContact CD1-CB 4.43Å; L385-I463 HydrophobicContact CD1-CG2 3.52Å
386K92.6Very high90.1Very high29 Ų2948.4 Ų48.413%0.12627%0.272CS..EExtended strand (participates in β ladder)trans-119.3144.8-177.5-74.3-177164.3-171.80111.2E356 D358 A359 A388 T393 Q394E356-K386 VanDerWaalsContact CD-NZ 3.27Å; E356-K386 IonicContact OE1-NZ 3.78Å; E356-K386 WeakPolarHBondContact OE2-CE 3.46Å; E356-K386 IonicContact OE2-NZ 2.75Å; E356-K386 PolarHBondContact OE2-NZ 2.92Å; D358-K386 HydrophobicContact CB-CD 4.39Å; D358-K386 HydrophobicContact CB-CG 4.46Å; D358-K386 IonicContact OD2-NZ 2.78Å; D358-K386 PolarHBondContact OD2-NZ 3.41Å; A359-K386 HydrophobicContact CB-CG 3.95Å; K386-A388 PolarHBondContact O-N 2.78Å; K386-T393 CarbonylContact O-C 3.58Å; K386-T393 WeakPolarHBondContact O-CA 3.35Å; K386-Q394 HydrophobicContact CB-CB 4.39Å; K386-Q394 PolarHBondContact N-O 3.25Å; K386-Q394 PolarHBondContact O-N 2.9Å
387P90.6Very high90.1Very high90 Ų9045.1 Ų45.158%0.58426%0.257SS*.EExtended strand (participates in β ladder)trans-77.3116.3170.331.7-28.1000109.1
388A84.5Confident90Very high21 Ų2143.6 Ų43.617%0.17425%0.248CC..  trans-84.2137.3164.600000108.1K386 N390 E391 K392 L411K386-A388 PolarHBondContact O-N 2.78Å; A388-N390 PolarHBondContact O-N 3.39Å; A388-E391 PolarHBondContact O-N 3.08Å; A388-K392 WeakPolarHBondContact CB-O 3.35Å; A388-K392 PolarHBondContact N-O 3.19Å; A388-L411 HydrophobicContact CB-CD2 3.92Å
389G72.3Confident90.1Very high88 Ų8842.1 Ų42.191%0.90725%0.245SC*.SBendtrans-63.112.5-171.500000117.5
390N68.8Low90Very high126 Ų12645 Ų4567%0.67426%0.256SS*.SBendtrans-111.237.3174.4-59.4-88.4000110.5A388 K392A388-N390 PolarHBondContact O-N 3.39Å; N390-K392 PolarHBondContact O-N 2.86Å
391E74.9Confident89.7Confident182 Ų18245.9 Ų45.985%0.8526%0.262SS*.SBendtrans61.2-20.2-175-61.2175.9141.600116.1A388A388-E391 PolarHBondContact O-N 3.08Å
392K86.3Confident89Confident101 Ų10150.8 Ų50.844%0.43929%0.288SS..PPolyproline II helixtrans-72.7142179.8-67.2157.2-169.5167.50112.5A388 N390A388-K392 WeakPolarHBondContact CB-O 3.35Å; A388-K392 PolarHBondContact N-O 3.19Å; N390-K392 PolarHBondContact O-N 2.86Å
393T91.4Very high88.5Confident6 Ų657.5 Ų57.54%0.03732%0.322CS..EExtended strand (participates in β ladder)trans-86133.4171.2-62.60000110.9F360 L385 K386 I412 K467F360-T393 HydrophobicContact CE1-CG2 3.98Å; F360-T393 HydrophobicContact CZ-CG2 3.82Å; L385-T393 HydrophobicContact CB-CG2 4Å; L385-T393 HydrophobicContact CD2-CG2 4.34Å; K386-T393 CarbonylContact O-C 3.58Å; K386-T393 WeakPolarHBondContact O-CA 3.35Å; T393-I412 HydrophobicContact CG2-CD1 3.86Å; T393-I412 PolarHBondContact O-N 3.1Å; T393-K467 HydrophobicContact CG2-CG 4.44Å; T393-K467 WeakPolarHBondContact OG1-CG 3.2Å
394Q93.2Very high88Confident50 Ų5057.6 Ų57.623%0.23432%0.324CS..EExtended strand (participates in β ladder)trans-90.7128.2170.3-174.9178.7-1.300109.5L385 K386 N409 L411L385-Q394 WeakPolarHBondContact CA-O 3.42Å; K386-Q394 HydrophobicContact CB-CB 4.39Å; K386-Q394 PolarHBondContact N-O 3.25Å; K386-Q394 PolarHBondContact O-N 2.9Å; Q394-N409 PolarHBondContact NE2-OD1 3.47Å; Q394-L411 HydrophobicContact CB-CD2 3.86Å; Q394-L411 HydrophobicContact CG-CD2 4.17Å
395L94.4Very high87.8Confident0 Ų062.1 Ų62.10%035%0.348CS..EExtended strand (participates in β ladder)trans-102.1112.6171.4-173.7165.9000108.4L383 L385 V397 L408 V410 I412 I428 I449 L464L383-L395 HydrophobicContact CD1-CD1 4.35Å; L383-L395 HydrophobicContact CD1-CD2 4.12Å; L383-L395 HydrophobicContact CD1-CG 4.2Å; L383-L395 HydrophobicContact CG-CD2 4.49Å; L383-L395 HydrophobicContact CG-CG 4.49Å; L385-L395 HydrophobicContact CD2-CB 3.81Å; L385-L395 HydrophobicContact CD2-CD1 4.19Å; L385-L395 HydrophobicContact CD2-CG 3.75Å; L395-V397 HydrophobicContact CD2-CG2 3.82Å; L395-L408 HydrophobicContact CD2-CD2 3.87Å; L395-L408 HydrophobicContact CD2-CG 4.37Å; L395-V410 HydrophobicContact CB-CG2 4.09Å; L395-V410 HydrophobicContact CD2-CG2 4.38Å; L395-V410 PolarHBondContact N-O 3.08Å; L395-V410 PolarHBondContact O-N 2.88Å; L395-I412 HydrophobicContact CB-CD1 4.27Å; L395-I412 HydrophobicContact CB-CG1 4.21Å; L395-I428 HydrophobicContact CD1-CD1 4Å; L395-I449 HydrophobicContact CD1-CD1 4.42Å; L395-L464 HydrophobicContact CD1-CD2 4.08Å
396L94.8Very high87.8Confident8 Ų864.7 Ų64.74%0.04236%0.361CS..EExtended strand (participates in β ladder)trans-117.1138.6179.1179.953000109.2E356 L383 H384 I406 L408 N409E356-L396 VanDerWaalsContact OE2-CD2 3.28Å; E356-L396 WeakPolarHBondContact OE2-CD2 3.39Å; L383-L396 CarbonylContact C-O 3.47Å; L383-L396 WeakPolarHBondContact CA-O 3.42Å; H384-L396 PolarHBondContact N-O 3.46Å; H384-L396 PolarHBondContact O-N 3.36Å; L396-I406 HydrophobicContact CD1-CD1 4.31Å; L396-I406 HydrophobicContact CD1-CG1 4.22Å; L396-I406 HydrophobicContact CD1-CG2 3.84Å; L396-L408 CarbonylContact C-O 3.55Å; L396-L408 WeakPolarHBondContact CA-O 3.48Å; L396-L408 WeakPolarHBondContact CD1-O 3.13Å; L396-N409 HydrophobicContact CD1-CB 3.84Å
397V95.6Very high87.8Confident0 Ų064 Ų640%036%0.359CS..EExtended strand (participates in β ladder)trans-130.1117.3173.5-172.50000108.4T382 L383 L395 L407 L408T382-V397 WeakPolarHBondContact O-CA 3.28Å; L383-V397 HydrophobicContact CB-CG2 4.07Å; L383-V397 HydrophobicContact CD1-CG2 4.14Å; L383-V397 HydrophobicContact CG-CG2 4.12Å; L395-V397 HydrophobicContact CD2-CG2 3.82Å; V397-L407 HydrophobicContact CB-CB 4.33Å; V397-L407 HydrophobicContact CG1-CB 4.21Å; V397-L407 HydrophobicContact CG1-CD1 4.25Å; V397-L407 PolarHBondContact O-N 3.4Å; V397-L408 HydrophobicContact CB-CB 4.19Å; V397-L408 HydrophobicContact CG2-CB 4.11Å; V397-L408 PolarHBondContact N-O 3.15Å; V397-L408 PolarHBondContact O-N 3.37Å
398R93.7Very high88Confident58 Ų5859.8 Ų59.822%0.21933%0.332CS..EExtended strand (participates in β ladder)trans-103.1139.6174.3-69.6-174.6179-93.89.9110.4E356 G381 T382 G404 N405E356-R398 IonicContact OE1-CZ 2.65Å; E356-R398 IonicContact OE1-NE 2.98Å; E356-R398 PolarHBondContact OE1-NE 2.75Å; E356-R398 IonicContact OE1-NH2 3.69Å; E356-R398 PolarHBondContact OE1-NH2 2.99Å; G381-R398 CarbonylContact C-O 3.48Å; G381-R398 WeakPolarHBondContact CA-O 3.04Å; T382-R398 PolarHBondContact N-O 3.25Å; T382-R398 PolarHBondContact O-N 2.86Å; R398-G404 PolarHBondContact NH1-O 3.49Å; R398-G404 VanDerWaalsContact NH1-O 3.1Å; R398-N405 CarbonylContact C-O 3.49Å; R398-N405 WeakPolarHBondContact CA-O 3.36Å
399A94.8Very high88.5Confident17 Ų1760.9 Ų60.914%0.1433%0.334CS..EExtended strand (participates in β ladder)trans-60.8143.9174.200000111.2V380 T401 N405 L407V380-A399 WeakPolarHBondContact O-CA 3.37Å; A399-T401 HydrophobicContact CB-CG2 4.4Å; A399-T401 PolarHBondContact O-N 3.01Å; A399-N405 HydrophobicContact CB-CB 4.39Å; A399-N405 WeakPolarHBondContact CB-O 3.4Å; A399-N405 PolarHBondContact N-O 3.23Å; A399-L407 HydrophobicContact CB-CD1 4.22Å; A399-L407 HydrophobicContact CB-CD2 4.26Å; A399-L407 HydrophobicContact CB-CG 4.12Å
400D91Very high89.5Confident75 Ų7557.3 Ų57.340%0.40130%0.295SS..SBendtrans-79.562179.8-153.37000110.3K364 V380K364-D400 WeakPolarHBondContact CD-OD2 3.24Å; K364-D400 IonicContact NZ-OD1 2.63Å; K364-D400 PolarHBondContact NZ-OD1 3.24Å; K364-D400 IonicContact NZ-OD2 2.75Å; K364-D400 PolarHBondContact NZ-OD2 2.77Å; V380-D400 PolarHBondContact O-N 2.79Å; V380-D400 VanDerWaalsContact O-N 3.13Å
401T90.1Very high90.6Very high83 Ų8355.9 Ų55.951%0.50929%0.287SS..SBendtrans-144.5157-175.268.70000111.1A399 L403 G404A399-T401 HydrophobicContact CB-CG2 4.4Å; A399-T401 PolarHBondContact O-N 3.01Å; T401-L403 PolarHBondContact O-N 3.28Å; T401-G404 PolarHBondContact O-N 3.41Å
402N81.3Confident91.4Very high103 Ų10347.4 Ų47.455%0.55125%0.247SC*.THydrogen-bonded Turntrans-57.4-20.3-178.5-61.6-23.4000114.6
403L83.4Confident91.5Very high158 Ų15845.4 Ų45.483%0.82725%0.245SC*.THydrogen-bonded Turntrans-92.1-8.9177.4-60.1178.9000113.4T401 N405T401-L403 PolarHBondContact O-N 3.28Å; L403-N405 PolarHBondContact O-N 3.06Å; L403-N405 VanDerWaalsContact O-N 3.08Å
404G84.9Confident91.1Very high3 Ų348.8 Ų48.83%0.03127%0.267CS..  trans56.329.4172.700000115.9R398 T401R398-G404 PolarHBondContact NH1-O 3.49Å; R398-G404 VanDerWaalsContact NH1-O 3.1Å; T401-G404 PolarHBondContact O-N 3.41Å
405N91.4Very high90.6Very high106 Ų10655.7 Ų55.757%0.56730%0.296SS*.  trans-56.8139.1-171.1-174.118.6000112.4R398 A399 L403 L407R398-N405 CarbonylContact C-O 3.49Å; R398-N405 WeakPolarHBondContact CA-O 3.36Å; A399-N405 HydrophobicContact CB-CB 4.39Å; A399-N405 WeakPolarHBondContact CB-O 3.4Å; A399-N405 PolarHBondContact N-O 3.23Å; L403-N405 PolarHBondContact O-N 3.06Å; L403-N405 VanDerWaalsContact O-N 3.08Å; N405-L407 PolarHBondContact O-N 2.98Å
406I93.8Very high90.2Very high54 Ų5456.1 Ų56.128%0.27730%0.298SS..EExtended strand (participates in β ladder)trans-80.1109.4-173.9-63.8177.8000110.2L396 N409 P434L396-I406 HydrophobicContact CD1-CD1 4.31Å; L396-I406 HydrophobicContact CD1-CG1 4.22Å; L396-I406 HydrophobicContact CD1-CG2 3.84Å; I406-N409 HydrophobicContact CG2-CB 3.7Å; I406-P434 WeakPolarHBondContact O-CD 3.46Å
407L93.6Very high89.9Confident16 Ų1659.2 Ų59.28%0.08432%0.319CS..EExtended strand (participates in β ladder)trans-80.1-34.9175.5-60.8-179.8000111.8L367 K378 V397 A399 N405L367-L407 HydrophobicContact CD2-CB 4.15Å; K378-L407 WeakPolarHBondContact CD-O 3.17Å; K378-L407 WeakPolarHBondContact CE-O 3.33Å; K378-L407 PolarHBondContact NZ-O 2.62Å; V397-L407 HydrophobicContact CB-CB 4.33Å; V397-L407 HydrophobicContact CG1-CB 4.21Å; V397-L407 HydrophobicContact CG1-CD1 4.25Å; V397-L407 PolarHBondContact O-N 3.4Å; A399-L407 HydrophobicContact CB-CD1 4.22Å; A399-L407 HydrophobicContact CB-CD2 4.26Å; A399-L407 HydrophobicContact CB-CG 4.12Å; N405-L407 PolarHBondContact O-N 2.98Å
408L94.7Very high89.6Confident0 Ų059.9 Ų59.90%032%0.324CS..EExtended strand (participates in β ladder)trans-155.3135.3177.5-173.463.3000110.5L367 L395 L396 V397 V410 P432 N433L367-L408 HydrophobicContact CD1-CD2 4.46Å; L367-L408 HydrophobicContact CD2-CB 3.86Å; L367-L408 HydrophobicContact CD2-CD2 4.32Å; L395-L408 HydrophobicContact CD2-CD2 3.87Å; L395-L408 HydrophobicContact CD2-CG 4.37Å; L396-L408 CarbonylContact C-O 3.55Å; L396-L408 WeakPolarHBondContact CA-O 3.48Å; L396-L408 WeakPolarHBondContact CD1-O 3.13Å; V397-L408 HydrophobicContact CB-CB 4.19Å; V397-L408 HydrophobicContact CG2-CB 4.11Å; V397-L408 PolarHBondContact N-O 3.15Å; V397-L408 PolarHBondContact O-N 3.37Å; L408-V410 HydrophobicContact CD1-CG1 3.71Å; L408-V410 HydrophobicContact CD2-CG2 4.39Å; L408-V410 HydrophobicContact CG-CG1 4.19Å; L408-V410 HydrophobicContact CG-CG2 4.25Å; L408-P432 HydrophobicContact CD1-CB 4.41Å; L408-N433 CarbonylContact C-O 3.59Å; L408-N433 VanDerWaalsContact CA-O 3.31Å; L408-N433 WeakPolarHBondContact CA-O 2.97Å
409N94.5Very high89.5Confident44 Ų4461 Ų6124%0.23534%0.337CS..EExtended strand (participates in β ladder)trans-142.495.1176.2177.714.8000109.9Q394 L396 I406 N433Q394-N409 PolarHBondContact NE2-OD1 3.47Å; L396-N409 HydrophobicContact CD1-CB 3.84Å; I406-N409 HydrophobicContact CG2-CB 3.7Å; N409-N433 PolarHBondContact N-O 3.45Å; N409-N433 WeakPolarHBondContact O-CB 3.4Å; N409-N433 PolarHBondContact O-ND2 2.94Å
410V93.1Very high89.4Confident14 Ų1463.2 Ų63.29%0.08534%0.341CS..EExtended strand (participates in β ladder)trans-132.4138.9-174.5-62.40000111.3L395 L408 V431 N433L395-V410 HydrophobicContact CB-CG2 4.09Å; L395-V410 HydrophobicContact CD2-CG2 4.38Å; L395-V410 PolarHBondContact N-O 3.08Å; L395-V410 PolarHBondContact O-N 2.88Å; L408-V410 HydrophobicContact CD1-CG1 3.71Å; L408-V410 HydrophobicContact CD2-CG2 4.39Å; L408-V410 HydrophobicContact CG-CG1 4.19Å; L408-V410 HydrophobicContact CG-CG2 4.25Å; V410-V431 VanDerWaalsContact CG1-O 3.24Å; V410-V431 WeakPolarHBondContact CG1-O 3.36Å; V410-N433 HydrophobicContact CG1-CB 4.48Å
411L92.4Very high89.4Confident96 Ų9662.2 Ų62.250%0.50334%0.338SS..EExtended strand (participates in β ladder)trans-74.6135.8162.5-63.8176.4000108.6A388 Q394 P413A388-L411 HydrophobicContact CB-CD2 3.92Å; Q394-L411 HydrophobicContact CB-CD2 3.86Å; Q394-L411 HydrophobicContact CG-CD2 4.17Å; L411-P413 VanDerWaalsContact O-CD 3.25Å; L411-P413 WeakPolarHBondContact O-CD 3.48Å
412I91.1Very high89.3Confident3 Ų361 Ų612%0.01534%0.342CS..PPolyproline II helixtrans-73.6119.3175.2-65.8163.8000108.4L385 T393 L395 M416 L464 K467 K468L385-I412 HydrophobicContact CD2-CD1 4.4Å; T393-I412 HydrophobicContact CG2-CD1 3.86Å; T393-I412 PolarHBondContact O-N 3.1Å; L395-I412 HydrophobicContact CB-CD1 4.27Å; L395-I412 HydrophobicContact CB-CG1 4.21Å; I412-M416 HydrophobicContact CG1-CE 4.44Å; I412-M416 HydrophobicContact CG2-CE 4.13Å; I412-M416 HydrophobicContact CG2-SD 4.47Å; I412-L464 HydrophobicContact CD1-CD2 3.47Å; I412-L464 VanDerWaalsContact CD1-CD2 3.47Å; I412-L464 HydrophobicContact CG1-CD2 4.31Å; I412-K467 WeakPolarHBondContact CG2-O 3.42Å; I412-K468 HydrophobicContact CG2-CB 4.41Å
413P87.5Confident89.7Confident59 Ų5964.5 Ų64.538%0.38335%0.352SS..PPolyproline II helixtrans-83.8149.2172.933-33.2000110.9L411 K415 M416L411-P413 VanDerWaalsContact O-CD 3.25Å; L411-P413 WeakPolarHBondContact O-CD 3.48Å; P413-K415 PolarHBondContact O-N 2.9Å; P413-M416 HydrophobicContact CG-CB 3.9Å; P413-M416 HydrophobicContact CG-CG 4.37Å; P413-M416 WeakPolarHBondContact O-CB 3.48Å; P413-M416 PolarHBondContact O-N 3Å
414P84.4Confident90.2Very high77 Ų7758.4 Ų58.450%0.532%0.321SS..THydrogen-bonded Turntrans-65.7-12.7-176.225.5-35.5000114.5K468P414-K468 CarbonylContact C-O 3.51Å; P414-K468 WeakPolarHBondContact CA-O 3.43Å; P414-K468 WeakPolarHBondContact CB-O 3.36Å; P414-K468 VanDerWaalsContact O-O 3.12Å
415K81.7Confident90.7Very high196 Ų19659.6 Ų59.685%0.85233%0.326SS*.THydrogen-bonded Turntrans-108.925.3174.4-65.6-177.1176.9177.40112.8P413 P417P413-K415 PolarHBondContact O-N 2.9Å; K415-P417 VanDerWaalsContact O-CD 3.3Å; K415-P417 WeakPolarHBondContact O-CD 3.44Å
416M85.6Confident91Very high8 Ų854.6 Ų54.64%0.03930%0.299CS..  trans-66.8124177.1-162173.268.500111.1I412 P413 C418 I428 V429 C430 L464I412-M416 HydrophobicContact CG1-CE 4.44Å; I412-M416 HydrophobicContact CG2-CE 4.13Å; I412-M416 HydrophobicContact CG2-SD 4.47Å; P413-M416 HydrophobicContact CG-CB 3.9Å; P413-M416 HydrophobicContact CG-CG 4.37Å; P413-M416 WeakPolarHBondContact O-CB 3.48Å; P413-M416 PolarHBondContact O-N 3Å; M416-C418 HydrophobicContact CE-CB 4.35Å; M416-C418 PolarHBondContact O-N 2.85Å; M416-I428 HydrophobicContact CE-CB 4.03Å; M416-I428 HydrophobicContact CE-CG2 3.76Å; M416-I428 HydrophobicContact SD-CB 4.19Å; M416-V429 WeakPolarHBondContact CG-O 3.12Å; M416-C430 HydrophobicContact SD-CB 4.4Å; M416-L464 HydrophobicContact CE-CD2 4.23Å
417P88.4Confident91Very high73 Ų7353.4 Ų53.447%0.47429%0.293SS..  trans-69.2114.8167.8-1631000109.6K415 I428 V429K415-P417 VanDerWaalsContact O-CD 3.3Å; K415-P417 WeakPolarHBondContact O-CD 3.44Å; P417-I428 WeakPolarHBondContact O-CA 3.22Å; P417-V429 HydrophobicContact CB-CB 4.15Å; P417-V429 HydrophobicContact CB-CG2 4.18Å; P417-V429 HydrophobicContact CG-CB 3.98Å; P417-V429 HydrophobicContact CG-CG2 4.41Å; P417-V429 PolarHBondContact O-N 3.04Å
418C90.3Very high91.1Very high15 Ų1552.6 Ų52.610%0.10129%0.289CS..EExtended strand (participates in β ladder)trans-124.9120.3173.857.80000110.4M416 L427 I428 H461M416-C418 HydrophobicContact CE-CB 4.35Å; M416-C418 PolarHBondContact O-N 2.85Å; C418-L427 CarbonylContact C-O 3.52Å; C418-L427 WeakPolarHBondContact CA-O 3.5Å; C418-I428 HydrophobicContact CB-CG2 4.13Å; C418-H461 PolarHBondContact O-NE2 3.13Å
419T92Very high91Very high81 Ų8154.8 Ų54.850%0.49730%0.303SS..EExtended strand (participates in β ladder)trans-131.2132.2-176.554.20000111.8L427T419-L427 PolarHBondContact N-O 2.86Å; T419-L427 PolarHBondContact O-N 3.31Å; T419-L427 WeakPolarHBondContact OG1-CB 3.46Å
420R92.9Very high90.9Very high63 Ų6353.2 Ų53.224%0.23830%0.295CS..EExtended strand (participates in β ladder)trans-73.6136.7174.7-167.863.4172.765.126.6110.1G422 K423 N425 S454 A457 D458R420-G422 PolarHBondContact NH1-O 2.64Å; R420-K423 PolarHBondContact NH1-O 2.72Å; R420-K423 PolarHBondContact NH2-O 3.29Å; R420-N425 WeakPolarHBondContact CD-O 3.39Å; R420-N425 PolarHBondContact NH1-O 3.06Å; R420-S454 PolarHBondContact NH2-O 3.18Å; R420-A457 VanDerWaalsContact CZ-CB 3.42Å; R420-A457 PolarHBondContact NE-O 3.31Å; R420-D458 IonicContact CZ-OD1 2.86Å; R420-D458 IonicContact NE-OD1 2.62Å; R420-D458 PolarHBondContact NE-OD1 3.13Å; R420-D458 IonicContact NH2-OD1 2.67Å; R420-D458 PolarHBondContact NH2-OD1 3.24Å; R420-D458 IonicContact NH2-OD2 2.75Å
421T89.9Confident90.9Very high54 Ų5455.6 Ų55.633%0.33131%0.309SS..EExtended strand (participates in β ladder)trans-144.9138.9177.6-167.10000113.9N425 L427 L448T421-N425 HydrophobicContact CG2-CB 3.87Å; T421-N425 PolarHBondContact N-O 3.18Å; T421-N425 CarbonylContact O-C 3.57Å; T421-N425 WeakPolarHBondContact O-CB 3.44Å; T421-N425 PolarHBondContact O-N 3.23Å; T421-N425 PolarHBondContact O-ND2 3.07Å; T421-N425 VanDerWaalsContact O-ND2 3.17Å; T421-L427 HydrophobicContact CG2-CD1 3.61Å; T421-L427 HydrophobicContact CG2-CG 3.72Å; T421-L448 HydrophobicContact CG2-CD1 4.26Å
422G89.1Confident90.8Very high57 Ų5751.3 Ų51.359%0.58829%0.287SS*.THydrogen-bonded Turntrans55.9-158.9-175.400000113.1R420R420-G422 PolarHBondContact NH1-O 2.64Å
423K89.7Confident90.9Very high177 Ų17754.9 Ų54.977%0.7731%0.306SS*.THydrogen-bonded Turntrans-75.8-40.5-172.6-63.7-171.6177.9-173.30114.1R420 S454R420-K423 PolarHBondContact NH1-O 2.72Å; R420-K423 PolarHBondContact NH2-O 3.29Å; K423-S454 WeakPolarHBondContact O-CA 2.92Å; K423-S454 WeakPolarHBondContact O-CB 3.37Å
424N94.2Very high91.1Very high31 Ų3154.7 Ų54.717%0.16631%0.305CS..THydrogen-bonded Turntrans-14231.6-17058.5-43.2000113.7R450 V451 T453N424-R450 WeakPolarHBondContact O-CA 3.49Å; N424-V451 PolarHBondContact ND2-O 2.85Å; N424-V451 PolarHBondContact O-N 3.45Å; N424-V451 VanDerWaalsContact O-N 3.07Å; N424-T453 WeakPolarHBondContact CB-O 3.05Å
425N95.3Very high91.3Very high28 Ų2854.1 Ų54.115%0.1530%0.302CS..EExtended strand (participates in β ladder)trans-123.1147.3177.3-31.6-75.5000112.3R420 T421 L448 I449 R450R420-N425 WeakPolarHBondContact CD-O 3.39Å; R420-N425 PolarHBondContact NH1-O 3.06Å; T421-N425 HydrophobicContact CG2-CB 3.87Å; T421-N425 PolarHBondContact N-O 3.18Å; T421-N425 CarbonylContact O-C 3.57Å; T421-N425 WeakPolarHBondContact O-CB 3.44Å; T421-N425 PolarHBondContact O-N 3.23Å; T421-N425 PolarHBondContact O-ND2 3.07Å; T421-N425 VanDerWaalsContact O-ND2 3.17Å; N425-L448 HydrophobicContact CB-CD1 4.18Å; N425-L448 HydrophobicContact CB-CD2 3.87Å; N425-L448 HydrophobicContact CB-CG 3.99Å; N425-I449 CarbonylContact C-O 3.47Å; N425-I449 VanDerWaalsContact CA-O 3.28Å; N425-I449 WeakPolarHBondContact CA-O 3.32Å; N425-R450 WeakPolarHBondContact OD1-CB 3.31Å; N425-R450 WeakPolarHBondContact OD1-CD 3.26Å; N425-R450 VanDerWaalsContact OD1-CG 3.24Å; N425-R450 WeakPolarHBondContact OD1-CG 3.47Å
426V96Very high91.5Very high0 Ų046.7 Ų46.70%027%0.271CS..EExtended strand (participates in β ladder)trans-123.4128170.8-173.20000107.9I428 I449 A457 L460 H461 L464V426-I428 HydrophobicContact CG1-CG2 4.38Å; V426-I449 PolarHBondContact N-O 2.83Å; V426-I449 PolarHBondContact O-N 3.1Å; V426-A457 HydrophobicContact CG2-CB 4.07Å; V426-A457 VanDerWaalsContact CG2-O 3.28Å; V426-A457 WeakPolarHBondContact CG2-O 3.49Å; V426-L460 HydrophobicContact CG2-CB 4.48Å; V426-L460 HydrophobicContact CG2-CD2 4.19Å; V426-L460 HydrophobicContact CG2-CG 4.39Å; V426-H461 HydrophobicContact CG1-CB 4.32Å; V426-H461 HydrophobicContact CG2-CB 4.26Å; V426-L464 HydrophobicContact CG1-CD1 4.21Å
427L95.3Very high91.3Very high29 Ų2948.8 Ų48.815%0.15228%0.282CS..EExtended strand (participates in β ladder)trans-93.1135.9170.8-75162000109.3F375 C418 T419 T421 T446 M447 L448F375-L427 HydrophobicContact CE1-CD2 3.86Å; F375-L427 HydrophobicContact CZ-CD2 3.83Å; C418-L427 CarbonylContact C-O 3.52Å; C418-L427 WeakPolarHBondContact CA-O 3.5Å; T419-L427 PolarHBondContact N-O 2.86Å; T419-L427 PolarHBondContact O-N 3.31Å; T419-L427 WeakPolarHBondContact OG1-CB 3.46Å; T421-L427 HydrophobicContact CG2-CD1 3.61Å; T421-L427 HydrophobicContact CG2-CG 3.72Å; L427-T446 HydrophobicContact CD2-CG2 3.75Å; L427-M447 WeakPolarHBondContact CA-O 3.13Å; L427-L448 HydrophobicContact CD2-CB 3.75Å; L427-L448 HydrophobicContact CD2-CD1 4.06Å; L427-L448 HydrophobicContact CD2-CG 4.17Å
428I94.5Very high91.1Very high0 Ų054.3 Ų54.30%030%0.301CS..EExtended strand (participates in β ladder)trans-130.3151.2168.864.4174.7000109.8L395 M416 P417 C418 V426 M447 I449 L464L395-I428 HydrophobicContact CD1-CD1 4Å; M416-I428 HydrophobicContact CE-CB 4.03Å; M416-I428 HydrophobicContact CE-CG2 3.76Å; M416-I428 HydrophobicContact SD-CB 4.19Å; P417-I428 WeakPolarHBondContact O-CA 3.22Å; C418-I428 HydrophobicContact CB-CG2 4.13Å; V426-I428 HydrophobicContact CG1-CG2 4.38Å; I428-M447 HydrophobicContact CG1-CB 3.91Å; I428-M447 PolarHBondContact N-O 3.06Å; I428-M447 PolarHBondContact O-N 2.97Å; I428-I449 HydrophobicContact CD1-CD1 3.88Å; I428-I449 HydrophobicContact CG1-CD1 4.37Å; I428-L464 HydrophobicContact CG2-CD1 3.96Å
429V93.6Very high90.6Very high46 Ų4662 Ų6228%0.27933%0.333SS..EExtended strand (participates in β ladder)trans-114.2110.8172.4179.20000108.9M416 P417 P444 T446M416-V429 WeakPolarHBondContact CG-O 3.12Å; P417-V429 HydrophobicContact CB-CB 4.15Å; P417-V429 HydrophobicContact CB-CG2 4.18Å; P417-V429 HydrophobicContact CG-CB 3.98Å; P417-V429 HydrophobicContact CG-CG2 4.41Å; P417-V429 PolarHBondContact O-N 3.04Å; V429-P444 HydrophobicContact CG1-CB 4Å; V429-T446 HydrophobicContact CG2-CG2 4.16Å
430C92.1Very high89.9Confident10 Ų1062.5 Ų62.57%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-144159.8-176.659.80000111.1M416 P432 P444 V445M416-C430 HydrophobicContact SD-CB 4.4Å; C430-P432 WeakPolarHBondContact O-CD 3.03Å; C430-P444 CarbonylContact O-C 3.43Å; C430-P444 WeakPolarHBondContact O-CA 3.32Å; C430-V445 PolarHBondContact N-O 2.97Å; C430-V445 PolarHBondContact O-N 3.05Å
431V92.8Very high89.4Confident64 Ų6462.3 Ų62.339%0.38834%0.34SS..  trans-77.6118.7170.4-178.80000107.5V410 P441 P444V410-V431 VanDerWaalsContact CG1-O 3.24Å; V410-V431 WeakPolarHBondContact CG1-O 3.36Å; V431-P441 VanDerWaalsContact CG1-O 3.22Å; V431-P441 WeakPolarHBondContact CG1-O 3.37Å; V431-P444 HydrophobicContact CG2-CB 4.22Å
432P91.6Very high89.1Confident6 Ų665.3 Ų65.34%0.03936%0.358CS..  trans-75.7130.6-173.530.2-34.2000111.3L408 C430 P434 P435 I436 V445L408-P432 HydrophobicContact CD1-CB 4.41Å; C430-P432 WeakPolarHBondContact O-CD 3.03Å; P432-P434 CarbonylContact C-O 3.55Å; P432-P434 CarbonylContact O-C 3.21Å; P432-P435 VanDerWaalsContact O-CA 3.3Å; P432-P435 WeakPolarHBondContact O-CA 3.26Å; P432-I436 HydrophobicContact CB-CD1 3.63Å; P432-I436 HydrophobicContact CB-CG1 3.8Å; P432-I436 HydrophobicContact CG-CB 4.4Å; P432-I436 HydrophobicContact CG-CD1 3.87Å; P432-I436 HydrophobicContact CG-CG1 3.91Å; P432-V445 HydrophobicContact CG-CB 4.27Å; P432-V445 HydrophobicContact CG-CG2 3.9Å
433N92.6Very high89Confident79 Ų7966 Ų6642%0.42235%0.351SS..SBendtrans-128.9119.6173.517436.2000108.5L408 N409 V410L408-N433 CarbonylContact C-O 3.59Å; L408-N433 VanDerWaalsContact CA-O 3.31Å; L408-N433 WeakPolarHBondContact CA-O 2.97Å; N409-N433 PolarHBondContact N-O 3.45Å; N409-N433 WeakPolarHBondContact O-CB 3.4Å; N409-N433 PolarHBondContact O-ND2 2.94Å; V410-N433 HydrophobicContact CG1-CB 4.48Å
434P90.4Very high89Confident54 Ų5461.3 Ų61.335%0.35134%0.339SS..SBendcis-61.7149.5-4.826.8-34.9000112.1K378 I406 P432K378-P434 PolarHBondContact NZ-O 3.29Å; I406-P434 WeakPolarHBondContact O-CD 3.46Å; P432-P434 CarbonylContact C-O 3.55Å; P432-P434 CarbonylContact O-C 3.21Å
435P89.9Confident88.9Confident66 Ų6661.2 Ų61.243%0.42934%0.339SS..  trans-52.7155.6177-29.437.2000114.1P432 P441P432-P435 VanDerWaalsContact O-CA 3.3Å; P432-P435 WeakPolarHBondContact O-CA 3.26Å; P435-P441 HydrophobicContact CB-CB 4.07Å; P435-P441 HydrophobicContact CG-CB 3.84Å
436I85.1Confident88.9Confident40 Ų4062 Ų6221%0.20535%0.345CS..SBendtrans-104.7-20.4-179.9-60.4172.4000111.5Y369 K378 P432 M447Y369-I436 HydrophobicContact CD1-CD1 4.28Å; Y369-I436 HydrophobicContact CD1-CG2 4.33Å; Y369-I436 HydrophobicContact CD2-CD1 4.32Å; Y369-I436 HydrophobicContact CD2-CG2 3.63Å; Y369-I436 HydrophobicContact CE1-CG2 4.23Å; Y369-I436 HydrophobicContact CE2-CG2 3.5Å; Y369-I436 VanDerWaalsContact CE2-CG2 3.5Å; Y369-I436 HydrophobicContact CG-CD1 3.86Å; Y369-I436 HydrophobicContact CG-CG2 4.04Å; K378-I436 HydrophobicContact CD-CD1 4.16Å; K378-I436 HydrophobicContact CD-CG1 4.23Å; P432-I436 HydrophobicContact CB-CD1 3.63Å; P432-I436 HydrophobicContact CB-CG1 3.8Å; P432-I436 HydrophobicContact CG-CB 4.4Å; P432-I436 HydrophobicContact CG-CD1 3.87Å; P432-I436 HydrophobicContact CG-CG1 3.91Å; I436-M447 HydrophobicContact CD1-CE 4.12Å; I436-M447 HydrophobicContact CD1-SD 3.77Å
437D82.4Confident88.8Confident52 Ų5262 Ų6228%0.27835%0.345SS..  trans-142.8112.4176.4-159.5-51000108.2K371 K439 N440K371-D437 IonicContact NZ-OD2 3.13Å; K371-D437 PolarHBondContact NZ-OD2 3.14Å; D437-K439 PolarHBondContact O-N 3.38Å; D437-K439 VanDerWaalsContact O-N 3.07Å; D437-K439 WeakPolarHBondContact OD1-CB 3.21Å; D437-K439 PolarHBondContact OD1-N 3.29Å; D437-N440 CarbonylContact O-C 3.57Å; D437-N440 PolarHBondContact O-N 3.04Å
438E83.3Confident88.8Confident188 Ų18861.5 Ų61.588%0.87934%0.342SS*.THydrogen-bonded Turntrans-56.4-23.9-178.8-67.6162.7-164.600112.8N440E438-N440 VanDerWaalsContact C-N 3.32Å
439K79.1Confident89Confident177 Ų17761.6 Ų61.677%0.7734%0.342SS*.THydrogen-bonded Turntrans-77.6-17.6-180-56.9178.3-178.7-179.70113D437D437-K439 PolarHBondContact O-N 3.38Å; D437-K439 VanDerWaalsContact O-N 3.07Å; D437-K439 WeakPolarHBondContact OD1-CB 3.21Å; D437-K439 PolarHBondContact OD1-N 3.29Å
440N78.7Confident89.1Confident92 Ų9265.1 Ų65.149%0.49235%0.351SS..  trans-143.350.5-171.9-67.9-83000112.7D437 E438 T442 V443D437-N440 CarbonylContact O-C 3.57Å; D437-N440 PolarHBondContact O-N 3.04Å; E438-N440 VanDerWaalsContact C-N 3.32Å; N440-T442 VanDerWaalsContact C-N 3.25Å; N440-T442 PolarHBondContact O-N 3.42Å; N440-V443 HydrophobicContact CB-CB 4.25Å; N440-V443 HydrophobicContact CB-CG2 3.83Å; N440-V443 PolarHBondContact O-N 2.89Å
441P82Confident89.2Confident58 Ų5865 Ų6538%0.37735%0.349SS..THydrogen-bonded Turntrans-65.1-26.4-169.827.9-36.3000113.8V431 P435V431-P441 VanDerWaalsContact CG1-O 3.22Å; V431-P441 WeakPolarHBondContact CG1-O 3.37Å; P435-P441 HydrophobicContact CB-CB 4.07Å; P435-P441 HydrophobicContact CG-CB 3.84Å
442T83.4Confident89.3Confident118 Ų11870.9 Ų70.972%0.72437%0.37SS*.THydrogen-bonded Turntrans-89-6.8-177.7-32.20000113.5N440N440-T442 VanDerWaalsContact C-N 3.25Å; N440-T442 PolarHBondContact O-N 3.42Å
443V87.3Confident89.5Confident72 Ų7273.1 Ų73.144%0.43638%0.384SS..SBendtrans-79.4128.4-174.7177.30000110N440 V445N440-V443 HydrophobicContact CB-CB 4.25Å; N440-V443 HydrophobicContact CB-CG2 3.83Å; N440-V443 PolarHBondContact O-N 2.89Å; V443-V445 PolarHBondContact O-N 2.87Å
444P89.5Confident89.6Confident78 Ų7872 Ų7251%0.50638%0.382SS..  trans-69.2128.2176.428.1-34.1000110.9V429 C430 V431V429-P444 HydrophobicContact CG1-CB 4Å; C430-P444 CarbonylContact O-C 3.43Å; C430-P444 WeakPolarHBondContact O-CA 3.32Å; V431-P444 HydrophobicContact CG2-CB 4.22Å
445V92.4Very high89.8Confident29 Ų2975.8 Ų75.818%0.17640%0.395CS..EExtended strand (participates in β ladder)trans-106.7144.1-179179.60000109.4C430 P432 V443 M447C430-V445 PolarHBondContact N-O 2.97Å; C430-V445 PolarHBondContact O-N 3.05Å; P432-V445 HydrophobicContact CG-CB 4.27Å; P432-V445 HydrophobicContact CG-CG2 3.9Å; V443-V445 PolarHBondContact O-N 2.87Å; V445-M447 HydrophobicContact CB-SD 4.46Å; V445-M447 HydrophobicContact CG1-SD 4.11Å; V445-M447 PolarHBondContact O-N 3.26Å
446T93.9Very high90Very high44 Ų4473.1 Ų73.127%0.2738%0.377SS..EExtended strand (participates in β ladder)trans-76.7113169.7-43.80000109.5K370 L427 V429K370-T446 WeakPolarHBondContact CB-O 3.35Å; K370-T446 PolarHBondContact N-O 3.01Å; L427-T446 HydrophobicContact CD2-CG2 3.75Å; V429-T446 HydrophobicContact CG2-CG2 4.16Å
447M95.1Very high90.5Very high0 Ų071.2 Ų71.20%037%0.368CS..EExtended strand (participates in β ladder)trans-99.5141.7175-55.9-62.2-6700109.6L367 F368 Y369 K378 L427 I428 I436 V445L367-M447 HydrophobicContact CD1-CB 4.45Å; L367-M447 HydrophobicContact CD1-CE 3.81Å; L367-M447 HydrophobicContact CD2-CE 3.82Å; L367-M447 HydrophobicContact CG-CE 3.72Å; F368-M447 CarbonylContact O-C 3.57Å; F368-M447 WeakPolarHBondContact O-CA 3.45Å; Y369-M447 VanDerWaalsContact CB-SD 3.56Å; K378-M447 HydrophobicContact CD-CE 4.28Å; L427-M447 WeakPolarHBondContact CA-O 3.13Å; I428-M447 HydrophobicContact CG1-CB 3.91Å; I428-M447 PolarHBondContact N-O 3.06Å; I428-M447 PolarHBondContact O-N 2.97Å; I436-M447 HydrophobicContact CD1-CE 4.12Å; I436-M447 HydrophobicContact CD1-SD 3.77Å; V445-M447 HydrophobicContact CB-SD 4.46Å; V445-M447 HydrophobicContact CG1-SD 4.11Å; V445-M447 PolarHBondContact O-N 3.26Å
448L96Very high91.1Very high19 Ų1972.6 Ų72.610%0.09938%0.375CS..EExtended strand (participates in β ladder)trans-115.7119.9171.8-178156000108.6F368 F375 T421 N425 L427 R450F368-L448 HydrophobicContact CB-CB 4.26Å; F368-L448 HydrophobicContact CD2-CD2 3.66Å; F368-L448 HydrophobicContact CE2-CD2 4.21Å; F368-L448 HydrophobicContact CG-CD2 4.44Å; F368-L448 PolarHBondContact N-O 2.91Å; F368-L448 PolarHBondContact O-N 2.87Å; F375-L448 HydrophobicContact CD1-CB 4.05Å; F375-L448 HydrophobicContact CD1-CD1 4.45Å; F375-L448 HydrophobicContact CE1-CB 3.84Å; F375-L448 HydrophobicContact CE1-CD1 4.19Å; F375-L448 HydrophobicContact CZ-CD1 4.34Å; T421-L448 HydrophobicContact CG2-CD1 4.26Å; N425-L448 HydrophobicContact CB-CD1 4.18Å; N425-L448 HydrophobicContact CB-CD2 3.87Å; N425-L448 HydrophobicContact CB-CG 3.99Å; L427-L448 HydrophobicContact CD2-CB 3.75Å; L427-L448 HydrophobicContact CD2-CD1 4.06Å; L427-L448 HydrophobicContact CD2-CG 4.17Å; L448-R450 HydrophobicContact CD2-CB 4.07Å
449I96.8Very high91.6Very high1 Ų168.3 Ų68.31%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-98.1122.2173.6-59.6162.6000107.2C365 L367 L383 L395 N425 V426 I428 V451 L460C365-I449 HydrophobicContact CB-CG2 3.9Å; L367-I449 HydrophobicContact CD1-CG1 3.79Å; L383-I449 HydrophobicContact CD1-CD1 3.81Å; L383-I449 HydrophobicContact CD1-CG2 4.18Å; L395-I449 HydrophobicContact CD1-CD1 4.42Å; N425-I449 CarbonylContact C-O 3.47Å; N425-I449 VanDerWaalsContact CA-O 3.28Å; N425-I449 WeakPolarHBondContact CA-O 3.32Å; V426-I449 PolarHBondContact N-O 2.83Å; V426-I449 PolarHBondContact O-N 3.1Å; I428-I449 HydrophobicContact CD1-CD1 3.88Å; I428-I449 HydrophobicContact CG1-CD1 4.37Å; I449-V451 HydrophobicContact CG2-CG1 4.33Å; I449-L460 HydrophobicContact CD1-CD2 4.49Å; I449-L460 HydrophobicContact CG2-CD2 3.91Å
450R95.6Very high92.3Very high121 Ų12159.9 Ų59.946%0.45732%0.318SS..EExtended strand (participates in β ladder)trans-111.6120174.9-180171.1177.7-168.6-4.2110.1C365 K366 F368 N424 N425 L448C365-R450 CarbonylContact C-O 3.53Å; C365-R450 WeakPolarHBondContact CA-O 3.48Å; C365-R450 WeakPolarHBondContact CB-O 3.18Å; K366-R450 PolarHBondContact N-O 3.48Å; K366-R450 PolarHBondContact O-N 2.92Å; F368-R450 HydrophobicContact CE2-CB 4.11Å; N424-R450 WeakPolarHBondContact O-CA 3.49Å; N425-R450 WeakPolarHBondContact OD1-CB 3.31Å; N425-R450 WeakPolarHBondContact OD1-CD 3.26Å; N425-R450 VanDerWaalsContact OD1-CG 3.24Å; N425-R450 WeakPolarHBondContact OD1-CG 3.47Å; L448-R450 HydrophobicContact CD2-CB 4.07Å
451V96.3Very high93Very high6 Ų657.2 Ų57.24%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-104.6176.2178.8-71.50000111C365 N424 I449 D456 A457 L460C365-V451 HydrophobicContact CB-CG1 3.96Å; N424-V451 PolarHBondContact ND2-O 2.85Å; N424-V451 PolarHBondContact O-N 3.45Å; N424-V451 VanDerWaalsContact O-N 3.07Å; I449-V451 HydrophobicContact CG2-CG1 4.33Å; V451-D456 HydrophobicContact CB-CB 3.85Å; V451-D456 HydrophobicContact CG2-CB 3.57Å; V451-A457 HydrophobicContact CG2-CB 3.53Å; V451-L460 HydrophobicContact CG1-CD2 4.35Å
452K94Very high93.6Very high188 Ų18861.4 Ų61.482%0.81732%0.315SS*.SBendtrans-77.6-48.1-170.6-165.7174.2-178.7-179.40112.5
453T95.3Very high94.1Very high53 Ų5357.3 Ų57.333%0.32529%0.288SS..SBendtrans-99.3172.1177.778.90000112N424 E455 D456N424-T453 WeakPolarHBondContact CB-O 3.05Å; T453-E455 PolarHBondContact OG1-N 3.31Å; T453-D456 PolarHBondContact N-OD2 3.31Å; T453-D456 WeakPolarHBondContact OG1-CB 3.43Å; T453-D456 PolarHBondContact OG1-N 3.1Å; T453-D456 PolarHBondContact OG1-OD1 2.81Å; T453-D456 PolarHBondContact OG1-OD2 2.94Å
454S94.8Very high94.3Very high56 Ų5653.9 Ų53.939%0.39227%0.267SS..SBendtrans-75-39.8167.840.70000112.1R420 K423 D456 A457 D458R420-S454 PolarHBondContact NH2-O 3.18Å; K423-S454 WeakPolarHBondContact O-CA 2.92Å; K423-S454 WeakPolarHBondContact O-CB 3.37Å; S454-D456 PolarHBondContact O-N 3.43Å; S454-A457 WeakPolarHBondContact O-CB 3.44Å; S454-A457 PolarHBondContact O-N 2.81Å; S454-D458 PolarHBondContact O-N 3.05Å; S454-D458 VanDerWaalsContact O-N 3.12Å
455E95Very high94.4Very high133 Ų13352.8 Ų52.862%0.62126%0.257SS*.Hα-helixtrans-59-45.1179.1-68.8146.2-157.100111.1T453 A457 D458 E459T453-E455 PolarHBondContact OG1-N 3.31Å; E455-A457 PolarHBondContact O-N 3.16Å; E455-A457 VanDerWaalsContact O-N 3.12Å; E455-D458 PolarHBondContact O-N 2.84Å; E455-E459 WeakPolarHBondContact O-CG 3.38Å; E455-E459 PolarHBondContact O-N 3.25Å
456D94.5Very high94.3Very high11 Ų1156.2 Ų56.26%0.05927%0.271CS..Hα-helixtrans-52.1-37.2173.7-67.8-18.1000112.1Y361 K363 V451 T453 S454 L460Y361-D456 PolarHBondContact OH-O 2.93Å; K363-D456 VanDerWaalsContact CE-CG 3.47Å; K363-D456 WeakPolarHBondContact CE-OD1 3.32Å; K363-D456 IonicContact NZ-OD1 3.2Å; K363-D456 PolarHBondContact NZ-OD1 2.97Å; K363-D456 IonicContact NZ-OD2 2.75Å; V451-D456 HydrophobicContact CB-CB 3.85Å; V451-D456 HydrophobicContact CG2-CB 3.57Å; T453-D456 PolarHBondContact N-OD2 3.31Å; T453-D456 WeakPolarHBondContact OG1-CB 3.43Å; T453-D456 PolarHBondContact OG1-N 3.1Å; T453-D456 PolarHBondContact OG1-OD1 2.81Å; T453-D456 PolarHBondContact OG1-OD2 2.94Å; S454-D456 PolarHBondContact O-N 3.43Å; D456-L460 WeakPolarHBondContact O-CB 3.45Å; D456-L460 PolarHBondContact O-N 2.96Å
457A94.6Very high94Very high0 Ų056.6 Ų56.60%027%0.269CS..Hα-helixtrans-80.6-29.9-176.500000112R420 V426 V451 S454 E455 H461R420-A457 VanDerWaalsContact CZ-CB 3.42Å; R420-A457 PolarHBondContact NE-O 3.31Å; V426-A457 HydrophobicContact CG2-CB 4.07Å; V426-A457 VanDerWaalsContact CG2-O 3.28Å; V426-A457 WeakPolarHBondContact CG2-O 3.49Å; V451-A457 HydrophobicContact CG2-CB 3.53Å; S454-A457 WeakPolarHBondContact O-CB 3.44Å; S454-A457 PolarHBondContact O-N 2.81Å; E455-A457 PolarHBondContact O-N 3.16Å; E455-A457 VanDerWaalsContact O-N 3.12Å; A457-H461 VanDerWaalsContact O-CB 3.26Å; A457-H461 WeakPolarHBondContact O-CB 3.39Å; A457-H461 PolarHBondContact O-N 3.04Å
458D94.8Very high93.5Very high81 Ų8158.7 Ų58.743%0.43328%0.278SS..Hα-helixtrans-77.1-40.3175.4-61.3-32.2000110.6R420 S454 E455 H461 K462R420-D458 IonicContact CZ-OD1 2.86Å; R420-D458 IonicContact NE-OD1 2.62Å; R420-D458 PolarHBondContact NE-OD1 3.13Å; R420-D458 IonicContact NH2-OD1 2.67Å; R420-D458 PolarHBondContact NH2-OD1 3.24Å; R420-D458 IonicContact NH2-OD2 2.75Å; S454-D458 PolarHBondContact O-N 3.05Å; S454-D458 VanDerWaalsContact O-N 3.12Å; E455-D458 PolarHBondContact O-N 2.84Å; D458-H461 PolarHBondContact O-N 2.65Å; D458-K462 VanDerWaalsContact O-CB 3.31Å; D458-K462 WeakPolarHBondContact O-CB 3.45Å; D458-K462 PolarHBondContact O-N 3.11Å
459E94.7Very high92.6Very high97 Ų9764.8 Ų64.845%0.45331%0.306SS..Hα-helixtrans-58.1-53.8167.7-73.1-177.9169.800111.6Y361 E455 H461 K462 I463Y361-E459 HydrophobicContact CE2-CB 4.41Å; E455-E459 WeakPolarHBondContact O-CG 3.38Å; E455-E459 PolarHBondContact O-N 3.25Å; E459-H461 VanDerWaalsContact C-N 3.32Å; E459-H461 PolarHBondContact O-N 3.37Å; E459-K462 PolarHBondContact O-N 3.03Å; E459-I463 VanDerWaalsContact O-CG1 3.29Å; E459-I463 WeakPolarHBondContact O-CG1 3.4Å; E459-I463 PolarHBondContact O-N 2.61Å
460L94.4Very high91.1Very high1 Ų169 Ų691%0.00534%0.342CS..Hα-helixtrans-59.5-42.9179.3177.660.9000111.2Y361 L383 L385 V426 I449 V451 D456 I463 L464Y361-L460 HydrophobicContact CD1-CD1 4.48Å; Y361-L460 HydrophobicContact CE1-CB 4.47Å; Y361-L460 HydrophobicContact CE1-CD1 4.01Å; L383-L460 HydrophobicContact CD1-CD1 4.48Å; L383-L460 HydrophobicContact CD1-CD2 4.38Å; L383-L460 HydrophobicContact CD2-CD1 4.08Å; L385-L460 HydrophobicContact CD1-CD1 4.22Å; V426-L460 HydrophobicContact CG2-CB 4.48Å; V426-L460 HydrophobicContact CG2-CD2 4.19Å; V426-L460 HydrophobicContact CG2-CG 4.39Å; I449-L460 HydrophobicContact CD1-CD2 4.49Å; I449-L460 HydrophobicContact CG2-CD2 3.91Å; V451-L460 HydrophobicContact CG1-CD2 4.35Å; D456-L460 WeakPolarHBondContact O-CB 3.45Å; D456-L460 PolarHBondContact O-N 2.96Å; L460-I463 PolarHBondContact O-N 2.98Å; L460-L464 HydrophobicContact CD1-CD1 3.93Å; L460-L464 HydrophobicContact CD1-CG 4.07Å; L460-L464 HydrophobicContact CG-CD1 3.94Å; L460-L464 HydrophobicContact CG-CG 4.47Å; L460-L464 WeakPolarHBondContact O-CB 3.39Å; L460-L464 WeakPolarHBondContact O-CG 3.46Å; L460-L464 PolarHBondContact O-N 3Å
461H93.6Very high90.8Very high35 Ų3566.5 Ų66.516%0.16234%0.336CS..Hα-helixtrans-65-41.7177.1-173.8-127.7000111.9C418 V426 A457 D458 E459 L464 L465C418-H461 PolarHBondContact O-NE2 3.13Å; V426-H461 HydrophobicContact CG1-CB 4.32Å; V426-H461 HydrophobicContact CG2-CB 4.26Å; A457-H461 VanDerWaalsContact O-CB 3.26Å; A457-H461 WeakPolarHBondContact O-CB 3.39Å; A457-H461 PolarHBondContact O-N 3.04Å; D458-H461 PolarHBondContact O-N 2.65Å; E459-H461 VanDerWaalsContact C-N 3.32Å; E459-H461 PolarHBondContact O-N 3.37Å; H461-L464 PolarHBondContact O-N 3.48Å; H461-L465 VanDerWaalsContact O-CG 3.32Å; H461-L465 WeakPolarHBondContact O-CG 3.27Å; H461-L465 PolarHBondContact O-N 3.06Å
462K94Very high90.5Very high147 Ų14769.6 Ų69.664%0.63935%0.352SS*.Hα-helixtrans-60.9-46.5174.7-177.4-174.1173.9-169.70112.2D458 E459 L464 L465 E466D458-K462 VanDerWaalsContact O-CB 3.31Å; D458-K462 WeakPolarHBondContact O-CB 3.45Å; D458-K462 PolarHBondContact O-N 3.11Å; E459-K462 PolarHBondContact O-N 3.03Å; K462-L464 VanDerWaalsContact C-N 3.34Å; K462-L464 PolarHBondContact O-N 2.67Å; K462-L465 WeakPolarHBondContact O-CB 3.29Å; K462-L465 PolarHBondContact O-N 3.49Å; K462-L465 VanDerWaalsContact O-N 3.14Å; K462-E466 PolarHBondContact O-N 2.82Å
463I92.9Very high90.3Very high31 Ų3163.1 Ų63.116%0.15933%0.326CS..Hα-helixtrans-63.2-41.6178.1-64.9162.9000110.3F360 Y361 L385 E459 L460 L465 E466 K467F360-I463 HydrophobicContact CE2-CG2 3.95Å; F360-I463 HydrophobicContact CZ-CG2 4.47Å; Y361-I463 HydrophobicContact CD2-CD1 3.43Å; Y361-I463 VanDerWaalsContact CD2-CD1 3.43Å; Y361-I463 HydrophobicContact CE2-CD1 3.83Å; Y361-I463 HydrophobicContact CG-CD1 3.95Å; L385-I463 HydrophobicContact CD1-CB 4.43Å; L385-I463 HydrophobicContact CD1-CG2 3.52Å; E459-I463 VanDerWaalsContact O-CG1 3.29Å; E459-I463 WeakPolarHBondContact O-CG1 3.4Å; E459-I463 PolarHBondContact O-N 2.61Å; L460-I463 PolarHBondContact O-N 2.98Å; I463-L465 VanDerWaalsContact C-N 3.27Å; I463-L465 PolarHBondContact O-N 3.33Å; I463-E466 PolarHBondContact O-N 2.98Å; I463-K467 HydrophobicContact CG2-CG 4.11Å; I463-K467 WeakPolarHBondContact O-CB 3.45Å; I463-K467 WeakPolarHBondContact O-CG 3.43Å; I463-K467 PolarHBondContact O-N 3.08Å
464L91.9Very high90.1Very high0 Ų063.6 Ų63.60%033%0.326CS..Hα-helixtrans-69.2-21.4175.9-67.3173.1000113.8L395 I412 M416 V426 I428 L460 H461 K462L395-L464 HydrophobicContact CD1-CD2 4.08Å; I412-L464 HydrophobicContact CD1-CD2 3.47Å; I412-L464 VanDerWaalsContact CD1-CD2 3.47Å; I412-L464 HydrophobicContact CG1-CD2 4.31Å; M416-L464 HydrophobicContact CE-CD2 4.23Å; V426-L464 HydrophobicContact CG1-CD1 4.21Å; I428-L464 HydrophobicContact CG2-CD1 3.96Å; L460-L464 HydrophobicContact CD1-CD1 3.93Å; L460-L464 HydrophobicContact CD1-CG 4.07Å; L460-L464 HydrophobicContact CG-CD1 3.94Å; L460-L464 HydrophobicContact CG-CG 4.47Å; L460-L464 WeakPolarHBondContact O-CB 3.39Å; L460-L464 WeakPolarHBondContact O-CG 3.46Å; L460-L464 PolarHBondContact O-N 3Å; H461-L464 PolarHBondContact O-N 3.48Å; K462-L464 VanDerWaalsContact C-N 3.34Å; K462-L464 PolarHBondContact O-N 2.67Å
465L91.1Very high89.8Confident56 Ų5664.1 Ų64.129%0.29332%0.322SS..Hα-helixtrans-77.6-42.5169.7-73.2169000111.4H461 K462 I463 K468H461-L465 VanDerWaalsContact O-CG 3.32Å; H461-L465 WeakPolarHBondContact O-CG 3.27Å; H461-L465 PolarHBondContact O-N 3.06Å; K462-L465 WeakPolarHBondContact O-CB 3.29Å; K462-L465 PolarHBondContact O-N 3.49Å; K462-L465 VanDerWaalsContact O-N 3.14Å; I463-L465 VanDerWaalsContact C-N 3.27Å; I463-L465 PolarHBondContact O-N 3.33Å; L465-K468 HydrophobicContact CD2-CD 4.28Å; L465-K468 WeakPolarHBondContact O-CE 3.32Å; L465-K468 WeakPolarHBondContact O-CG 3.44Å
466E90.6Very high89.4Confident100 Ų10059.5 Ų59.547%0.46730%0.302SS..Hα-helixtrans-64.3-48.9177-168.8-167116.200111.3K462 I463 K468 E469 A470K462-E466 PolarHBondContact O-N 2.82Å; I463-E466 PolarHBondContact O-N 2.98Å; E466-K468 PolarHBondContact O-N 2.79Å; E466-K468 VanDerWaalsContact O-N 3.13Å; E466-E469 PolarHBondContact O-N 3.45Å; E466-A470 PolarHBondContact O-N 3.01Å
467K88.3Confident89Confident53 Ų5363 Ų6323%0.2332%0.319CS..Hα-helixtrans-80.716-176.9-54.3-48.5-172.4-160.40115F360 T393 I412 I463F360-K467 HydrophobicContact CZ-CG 4.42Å; T393-K467 HydrophobicContact CG2-CG 4.44Å; T393-K467 WeakPolarHBondContact OG1-CG 3.2Å; I412-K467 WeakPolarHBondContact CG2-O 3.42Å; I463-K467 HydrophobicContact CG2-CG 4.11Å; I463-K467 WeakPolarHBondContact O-CB 3.45Å; I463-K467 WeakPolarHBondContact O-CG 3.43Å; I463-K467 PolarHBondContact O-N 3.08Å
468K84.1Confident88.6Confident43 Ų4367.8 Ų67.819%0.18734%0.344CS..Hα-helixtrans-111.6-18.5162.492.8-162.4172-175.80111.4I412 P414 L465 E466I412-K468 HydrophobicContact CG2-CB 4.41Å; P414-K468 CarbonylContact C-O 3.51Å; P414-K468 WeakPolarHBondContact CA-O 3.43Å; P414-K468 WeakPolarHBondContact CB-O 3.36Å; P414-K468 VanDerWaalsContact O-O 3.12Å; L465-K468 HydrophobicContact CD2-CD 4.28Å; L465-K468 WeakPolarHBondContact O-CE 3.32Å; L465-K468 WeakPolarHBondContact O-CG 3.44Å; E466-K468 PolarHBondContact O-N 2.79Å; E466-K468 VanDerWaalsContact O-N 3.13Å
469E76.4Confident88.1Confident147 Ų14766.8 Ų66.869%0.68734%0.336SS*.Hα-helixtrans-96.1-18.4-176.2-81166.2-154.900111.5E466E466-E469 PolarHBondContact O-N 3.45Å
470A65.2Low87.5Confident91 Ų9164 Ų6475%0.75233%0.326SS*.  trans-82.80147.300000110.7E466E466-A470 PolarHBondContact O-N 3.01Å

Retrieved 470 of 470 residues in 58.8 ms (Link to these results)

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