A0A3Q0KEK2_SCHMA Loading...

Sh3-containing grb2-like protein 3 (Endophilin III) AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KEK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 356 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
1M51.7Low75Confident181 Ų18193.7 Ų93.789%0.89251%0.509SS*.  0132.10-79.7-147.5-84.100108.9
2S69Low75.7Confident82 Ų8289.8 Ų89.857%0.57348%0.483SS*.  trans-72.9153.4174.374.70000110.8A4 G5 L6S2-A4 PolarHBondContact O-N 3.3Å; S2-G5 PolarHBondContact O-N 3.06Å; S2-G5 PolarHBondContact OG-N 3.18Å; S2-L6 PolarHBondContact O-N 3.47Å; S2-L6 VanDerWaalsContact O-N 3.16Å
3L73.6Confident75.8Confident154 Ų15487.2 Ų87.281%0.80648%0.481SS*.Hα-helixtrans-53.7-35.2175.5-72.5171.2000112.3L6 K7L3-L6 PolarHBondContact O-N 3.14Å; L3-K7 PolarHBondContact O-N 3.3Å
4A75.4Confident76.2Confident74 Ų7487.7 Ų87.761%0.61248%0.483SS*.Hα-helixtrans-64.5-40.4175.800000112.4S2 K8S2-A4 PolarHBondContact O-N 3.3Å; A4-K8 WeakPolarHBondContact O-CB 3.21Å; A4-K8 PolarHBondContact O-N 3.26Å
5G75.9Confident76.5Confident26 Ų2682.5 Ų82.527%0.26845%0.454SS..Hα-helixtrans-63.9-42.317600000112.6S2 K8 Q9S2-G5 PolarHBondContact O-N 3.06Å; S2-G5 PolarHBondContact OG-N 3.18Å; G5-K8 WeakPolarHBondContact O-CB 3.49Å; G5-K8 PolarHBondContact O-N 2.88Å; G5-Q9 PolarHBondContact O-N 2.68Å
6L78.6Confident76.5Confident81 Ų8183.5 Ų83.542%0.42445%0.453SS..Hα-helixtrans-65-46.5177-172.668.1000111.5S2 L3 K8 Q9 I10S2-L6 PolarHBondContact O-N 3.47Å; S2-L6 VanDerWaalsContact O-N 3.16Å; L3-L6 PolarHBondContact O-N 3.14Å; L6-K8 PolarHBondContact O-N 3.3Å; L6-Q9 PolarHBondContact O-N 3.38Å; L6-Q9 VanDerWaalsContact O-N 3.13Å; L6-I10 HydrophobicContact CG-CD1 4.1Å; L6-I10 WeakPolarHBondContact O-CG1 3.46Å; L6-I10 PolarHBondContact O-N 3.38Å
7K80.4Confident76.4Confident144 Ų14485.3 Ų85.363%0.62646%0.459SS*.Hα-helixtrans-58.1-38.9176.2-171.7177.2-177.4179.70111.7L3 N11L3-K7 PolarHBondContact O-N 3.3Å; K7-N11 WeakPolarHBondContact O-CB 3.35Å; K7-N11 PolarHBondContact O-N 2.88Å; K7-N11 PolarHBondContact O-ND2 2.92Å
8K78.9Confident76.4Confident64 Ų6482.6 Ų82.628%0.27845%0.448SS..Hα-helixtrans-64.7-45.1175.6-177.6172.9-180131.50112A4 G5 L6 N11 K12 D167A4-K8 WeakPolarHBondContact O-CB 3.21Å; A4-K8 PolarHBondContact O-N 3.26Å; G5-K8 WeakPolarHBondContact O-CB 3.49Å; G5-K8 PolarHBondContact O-N 2.88Å; L6-K8 PolarHBondContact O-N 3.3Å; K8-N11 PolarHBondContact O-N 3.37Å; K8-K12 WeakPolarHBondContact O-CG 3.49Å; K8-K12 PolarHBondContact O-N 3.3Å; K8-K12 VanDerWaalsContact O-N 3.07Å; K8-D167 VanDerWaalsContact CE-CG 3.44Å; K8-D167 WeakPolarHBondContact CE-OD1 3.44Å; K8-D167 WeakPolarHBondContact CE-OD2 3.35Å; K8-D167 IonicContact NZ-OD1 2.85Å; K8-D167 PolarHBondContact NZ-OD1 3.34Å; K8-D167 IonicContact NZ-OD2 3.64Å; K8-D167 PolarHBondContact NZ-OD2 2.96Å
9Q79.3Confident76.7Confident102 Ų10280.4 Ų80.448%0.47743%0.434SS..Hα-helixtrans-63.6-42.2177.2-74-178.7-17.200112.4G5 L6 N11 K12 A13G5-Q9 PolarHBondContact O-N 2.68Å; L6-Q9 PolarHBondContact O-N 3.38Å; L6-Q9 VanDerWaalsContact O-N 3.13Å; Q9-N11 VanDerWaalsContact C-N 3.34Å; Q9-N11 PolarHBondContact O-N 2.88Å; Q9-K12 PolarHBondContact O-N 3.01Å; Q9-A13 PolarHBondContact O-N 3.4Å
10I81.3Confident76.8Confident86 Ų8684.1 Ų84.144%0.44145%0.446SS..Hα-helixtrans-60.6-43.8175.3-66.7167.4000110.9L6 K12 A13 N14L6-I10 HydrophobicContact CG-CD1 4.1Å; L6-I10 WeakPolarHBondContact O-CG1 3.46Å; L6-I10 PolarHBondContact O-N 3.38Å; I10-K12 PolarHBondContact O-N 3.34Å; I10-A13 PolarHBondContact O-N 2.95Å; I10-N14 PolarHBondContact O-N 3.42Å
11N81.5Confident76.6Confident37 Ų3786.7 Ų86.720%0.19846%0.459CS..Hα-helixtrans-61-42.8177.2-75.2-28.4000112.5K7 K8 Q9 N14 Q15 K174K7-N11 WeakPolarHBondContact O-CB 3.35Å; K7-N11 PolarHBondContact O-N 2.88Å; K7-N11 PolarHBondContact O-ND2 2.92Å; K8-N11 PolarHBondContact O-N 3.37Å; Q9-N11 VanDerWaalsContact C-N 3.34Å; Q9-N11 PolarHBondContact O-N 2.88Å; N11-N14 PolarHBondContact O-N 3.2Å; N11-Q15 WeakPolarHBondContact O-CB 3.07Å; N11-Q15 PolarHBondContact O-N 2.58Å; N11-K174 PolarHBondContact ND2-NZ 2.97Å; N11-K174 PolarHBondContact OD1-NZ 3.46Å
12K82.4Confident77.2Confident46 Ų4680.7 Ų80.720%0.244%0.443CS..Hα-helixtrans-62.7-43175.3-67.6-179.2-170.2-1580111.8K8 Q9 I10 Q15 F16 G163 L166 D167K8-K12 WeakPolarHBondContact O-CG 3.49Å; K8-K12 PolarHBondContact O-N 3.3Å; K8-K12 VanDerWaalsContact O-N 3.07Å; Q9-K12 PolarHBondContact O-N 3.01Å; I10-K12 PolarHBondContact O-N 3.34Å; K12-Q15 PolarHBondContact O-N 3.07Å; K12-F16 WeakPolarHBondContact O-CB 3.15Å; K12-F16 PolarHBondContact O-N 2.99Å; K12-G163 WeakPolarHBondContact CD-O 3.24Å; K12-G163 WeakPolarHBondContact CE-O 3.44Å; K12-G163 PolarHBondContact NZ-O 2.89Å; K12-L166 HydrophobicContact CB-CB 4.16Å; K12-L166 HydrophobicContact CB-CD1 4.49Å; K12-L166 HydrophobicContact CG-CB 4.21Å; K12-D167 HydrophobicContact CG-CB 4.5Å
13A77.5Confident77.4Confident56 Ų5680.1 Ų80.146%0.46345%0.451SS..Hα-helixtrans-62.9-42.5177.600000111.8Q9 I10 F16 M17Q9-A13 PolarHBondContact O-N 3.4Å; I10-A13 PolarHBondContact O-N 2.95Å; A13-F16 PolarHBondContact O-N 3.36Å; A13-M17 WeakPolarHBondContact O-CB 3.37Å; A13-M17 PolarHBondContact O-N 2.82Å
14N81.5Confident77.3Confident95 Ų9574 Ų7451%0.50842%0.422SS..Hα-helixtrans-63.9-41175.3-72.9-15.5000112.1I10 N11 M17 S18I10-N14 PolarHBondContact O-N 3.42Å; N11-N14 PolarHBondContact O-N 3.2Å; N14-M17 PolarHBondContact O-N 2.87Å; N14-S18 WeakPolarHBondContact O-CB 3.32Å; N14-S18 PolarHBondContact O-N 2.83Å
15Q80.7Confident77.4Confident10 Ų1077.6 Ų77.65%0.04743%0.426CS..Hα-helixtrans-62-48.9175.5177.861.124.700110.9N11 K12 M17 S18 E19 L166 D169 C170 R173N11-Q15 WeakPolarHBondContact O-CB 3.07Å; N11-Q15 PolarHBondContact O-N 2.58Å; K12-Q15 PolarHBondContact O-N 3.07Å; Q15-M17 VanDerWaalsContact C-N 3.32Å; Q15-M17 PolarHBondContact O-N 3.47Å; Q15-S18 WeakPolarHBondContact O-CB 3.45Å; Q15-S18 PolarHBondContact O-N 2.91Å; Q15-S18 VanDerWaalsContact O-N 3.09Å; Q15-E19 PolarHBondContact NE2-OE1 3.44Å; Q15-E19 WeakPolarHBondContact O-CG 3.12Å; Q15-E19 PolarHBondContact O-N 2.95Å; Q15-L166 HydrophobicContact CB-CD2 4.3Å; Q15-L166 HydrophobicContact CG-CB 4.38Å; Q15-L166 HydrophobicContact CG-CD2 3.81Å; Q15-D169 HydrophobicContact CG-CB 4.1Å; Q15-C170 HydrophobicContact CB-CB 4.2Å; Q15-C170 HydrophobicContact CG-CB 4.45Å; Q15-R173 VanDerWaalsContact CD-NH1 3.32Å; Q15-R173 VanDerWaalsContact NE2-NH2 3.12Å
16F75.9Confident77.7Confident98 Ų9877.1 Ų77.143%0.4342%0.421SS..Hα-helixtrans-56.6-45.3176.2178-95.2000112.1K12 A13 S18 E19 K20 L166K12-F16 WeakPolarHBondContact O-CB 3.15Å; K12-F16 PolarHBondContact O-N 2.99Å; A13-F16 PolarHBondContact O-N 3.36Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.1Å; F16-E19 PolarHBondContact O-N 3.05Å; F16-K20 HydrophobicContact CD1-CG 4.4Å; F16-K20 HydrophobicContact CE1-CG 4Å; F16-K20 HydrophobicContact CE2-CG 4.37Å; F16-K20 HydrophobicContact CZ-CG 3.99Å; F16-K20 PolarHBondContact O-N 3.47Å; F16-L166 HydrophobicContact CB-CD1 4.1Å; F16-L166 HydrophobicContact CB-CD2 3.98Å; F16-L166 HydrophobicContact CD2-CD1 4.4Å
17M75Confident78Confident114 Ų11474.8 Ų74.856%0.56241%0.411SS*.Hα-helixtrans-64.5-38.5176.6-171.2176.7-75.700112A13 N14 Q15 E19 K20 I21A13-M17 WeakPolarHBondContact O-CB 3.37Å; A13-M17 PolarHBondContact O-N 2.82Å; N14-M17 PolarHBondContact O-N 2.87Å; Q15-M17 VanDerWaalsContact C-N 3.32Å; Q15-M17 PolarHBondContact O-N 3.47Å; M17-E19 VanDerWaalsContact C-N 3.29Å; M17-E19 PolarHBondContact O-N 3.3Å; M17-K20 PolarHBondContact O-N 3.11Å; M17-I21 HydrophobicContact CG-CD1 3.88Å; M17-I21 HydrophobicContact CG-CG1 4.47Å; M17-I21 WeakPolarHBondContact O-CB 3.32Å; M17-I21 PolarHBondContact O-N 3.11Å
18S76.6Confident78.3Confident37 Ų3775.5 Ų75.526%0.25941%0.414SS..Hα-helixtrans-66.2-29.4176.2-176.30000113N14 Q15 F16 G22 G23 A24 R173N14-S18 WeakPolarHBondContact O-CB 3.32Å; N14-S18 PolarHBondContact O-N 2.83Å; Q15-S18 WeakPolarHBondContact O-CB 3.45Å; Q15-S18 PolarHBondContact O-N 2.91Å; Q15-S18 VanDerWaalsContact O-N 3.09Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.1Å; S18-G22 CarbonylContact O-C 3.56Å; S18-G22 VanDerWaalsContact O-C 3.23Å; S18-G22 WeakPolarHBondContact O-CA 3.5Å; S18-G22 PolarHBondContact O-N 3.16Å; S18-G23 PolarHBondContact O-N 2.78Å; S18-A24 PolarHBondContact O-N 3.3Å; S18-A24 WeakPolarHBondContact OG-CB 3.34Å; S18-R173 PolarHBondContact OG-NH1 3.38Å; S18-R173 VanDerWaalsContact OG-NH1 3.11Å
19E82.4Confident78.8Confident40 Ų4074.3 Ų74.319%0.18741%0.41CS..Hα-helixtrans-77-42.5174.1-65.1178.7-154.100111.5Q15 F16 M17 A24 R165Q15-E19 PolarHBondContact NE2-OE1 3.44Å; Q15-E19 WeakPolarHBondContact O-CG 3.12Å; Q15-E19 PolarHBondContact O-N 2.95Å; F16-E19 PolarHBondContact O-N 3.05Å; M17-E19 VanDerWaalsContact C-N 3.29Å; M17-E19 PolarHBondContact O-N 3.3Å; E19-A24 WeakPolarHBondContact CA-O 3.37Å; E19-A24 VanDerWaalsContact CG-O 3.29Å; E19-A24 WeakPolarHBondContact CG-O 3.31Å; E19-R165 IonicContact OE1-CZ 3.78Å; E19-R165 IonicContact OE1-NH1 2.82Å; E19-R165 IonicContact OE1-NH2 2.7Å; E19-R165 IonicContact OE2-CZ 2.95Å; E19-R165 IonicContact OE2-NH1 2.68Å; E19-R165 PolarHBondContact OE2-NH1 2.9Å; E19-R165 IonicContact OE2-NH2 3.8Å; E19-R165 PolarHBondContact OE2-NH2 3.23Å
20K77.7Confident79.4Confident154 Ų15472.3 Ų72.367%0.6740%0.403SS*.Hα-helixtrans-72.9-36.2-178.6-72.2-70.6-175.1179.90114.2F16 M17F16-K20 HydrophobicContact CD1-CG 4.4Å; F16-K20 HydrophobicContact CE1-CG 4Å; F16-K20 HydrophobicContact CE2-CG 4.37Å; F16-K20 HydrophobicContact CZ-CG 3.99Å; F16-K20 PolarHBondContact O-N 3.47Å; M17-K20 PolarHBondContact O-N 3.11Å
21I72.8Confident80Confident140 Ų14074.9 Ų74.972%0.71842%0.417SS*.THydrogen-bonded Turntrans-117.5-28.8-171.1-54.2178.7000111.6M17M17-I21 HydrophobicContact CG-CD1 3.88Å; M17-I21 HydrophobicContact CG-CG1 4.47Å; M17-I21 WeakPolarHBondContact O-CB 3.32Å; M17-I21 PolarHBondContact O-N 3.11Å
22G65.7Low80.6Confident54 Ų5479.2 Ų79.256%0.55744%0.436SS*.SBendtrans-99.46.6-169.800000115.9S18 A24S18-G22 CarbonylContact O-C 3.56Å; S18-G22 VanDerWaalsContact O-C 3.23Å; S18-G22 WeakPolarHBondContact O-CA 3.5Å; S18-G22 PolarHBondContact O-N 3.16Å; G22-A24 PolarHBondContact O-N 3.1Å; G22-A24 VanDerWaalsContact O-N 3.15Å
23G72.9Confident81.2Confident71 Ų7177 Ų7773%0.73243%0.427SS*.  trans66.812.1177.100000115.3S18S18-G23 PolarHBondContact O-N 2.78Å
24A71.4Confident82.1Confident26 Ų2677.5 Ų77.522%0.21542%0.424CS..PPolyproline II helixtrans-88.7122.6-173.700000109.5S18 E19 G22 R173S18-A24 PolarHBondContact O-N 3.3Å; S18-A24 WeakPolarHBondContact OG-CB 3.34Å; E19-A24 WeakPolarHBondContact CA-O 3.37Å; E19-A24 VanDerWaalsContact CG-O 3.29Å; E19-A24 WeakPolarHBondContact CG-O 3.31Å; G22-A24 PolarHBondContact O-N 3.1Å; G22-A24 VanDerWaalsContact O-N 3.15Å; A24-R173 PolarHBondContact O-NH2 3.39Å; A24-R173 VanDerWaalsContact O-NH2 3.13Å
25E77.9Confident82.8Confident149 Ų14977.5 Ų77.570%0.69642%0.421SS*.PPolyproline II helixtrans-71.1138.3-179.3-63.1-164.416600111.6K28 R173E25-K28 IonicContact OE2-NZ 3.39Å; E25-R173 PolarHBondContact O-NH2 2.88Å
26G80.9Confident83.6Confident16 Ų1677.8 Ų77.817%0.16542%0.422CS..PPolyproline II helixtrans-92.5169.3169.500000111.7K28 D169G26-K28 PolarHBondContact O-N 3.19Å; G26-D169 VanDerWaalsContact CA-OD2 3.23Å; G26-D169 WeakPolarHBondContact CA-OD2 3.24Å
27T85.7Confident84.6Confident32 Ų3275.4 Ų75.420%0.19641%0.412CS..PPolyproline II helixtrans-60.7120.7176.7-69.30000109.8R165 F168 D169 F196T27-R165 WeakPolarHBondContact O-CD 3.14Å; T27-F168 HydrophobicContact CG2-CE1 4.49Å; T27-D169 WeakPolarHBondContact CB-OD1 3.42Å; T27-D169 PolarHBondContact N-OD1 2.94Å; T27-D169 PolarHBondContact N-OD2 3.43Å; T27-D169 PolarHBondContact OG1-OD1 3.17Å; T27-F196 HydrophobicContact CG2-CE1 3.89Å; T27-F196 HydrophobicContact CG2-CZ 3.8Å
28K86.7Confident85.7Confident159 Ų15975.8 Ų75.869%0.69141%0.411SS*.PPolyproline II helixtrans-77.3138176.9-64.2-177.4-176.2173.50109.6E25 G26E25-K28 IonicContact OE2-NZ 3.39Å; G26-K28 PolarHBondContact O-N 3.19Å
29L89.8Confident86.7Confident39 Ų3979.7 Ų79.720%0.20442%0.423CS..PPolyproline II helixtrans-78.3153.8164.8-57.8173.7000107.7Y33 V34 L161 F196 K200L29-Y33 HydrophobicContact CB-CD1 3.97Å; L29-Y33 HydrophobicContact CB-CG 4.18Å; L29-Y33 HydrophobicContact CD1-CD1 3.39Å; L29-Y33 HydrophobicContact CD1-CE1 3.34Å; L29-Y33 HydrophobicContact CD1-CG 4.12Å; L29-Y33 HydrophobicContact CG-CD1 4.22Å; L29-V34 HydrophobicContact CB-CG2 4.46Å; L29-L161 HydrophobicContact CD1-CD2 4Å; L29-L161 HydrophobicContact CD2-CD2 4.31Å; L29-F196 HydrophobicContact CD2-CE2 4.18Å; L29-F196 HydrophobicContact CD2-CZ 3.8Å; L29-K200 HydrophobicContact CD2-CD 4.24Å; L29-K200 HydrophobicContact CD2-CG 4.28Å
30D91.3Very high87.4Confident59 Ų5977.9 Ų77.932%0.31642%0.415SS..PPolyproline II helixtrans-67.9162.4176.153.680.7000111.9E32 Y33 V34 K200D30-E32 PolarHBondContact O-N 2.89Å; D30-E32 WeakPolarHBondContact OD1-CB 3.46Å; D30-E32 PolarHBondContact OD1-N 2.87Å; D30-Y33 PolarHBondContact O-N 3.31Å; D30-Y33 PolarHBondContact OD1-N 3.26Å; D30-V34 WeakPolarHBondContact O-CG2 3.29Å; D30-V34 PolarHBondContact O-N 3.47Å; D30-K200 WeakPolarHBondContact OD2-CE 3.44Å; D30-K200 IonicContact OD2-NZ 2.58Å; D30-K200 PolarHBondContact OD2-NZ 2.77Å
31D93.3Very high88.4Confident140 Ų14073.8 Ų73.875%0.74940%0.401SS*.Hα-helixtrans-62.9-31-175.6-61.5-27.9000112.2V34 E35D31-V34 PolarHBondContact O-N 3.45Å; D31-E35 WeakPolarHBondContact O-CB 3.42Å; D31-E35 WeakPolarHBondContact O-CG 3.2Å; D31-E35 PolarHBondContact O-N 3.2Å
32E94.1Very high89.6Confident128 Ų12871.4 Ų71.460%0.59839%0.392SS*.Hα-helixtrans-65.9-47.5177.8-179.7171.5-164.900111D30 V34 E35 I36D30-E32 PolarHBondContact O-N 2.89Å; D30-E32 WeakPolarHBondContact OD1-CB 3.46Å; D30-E32 PolarHBondContact OD1-N 2.87Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 3.05Å; E32-E35 PolarHBondContact O-N 3.01Å; E32-I36 HydrophobicContact CG-CD1 3.88Å; E32-I36 VanDerWaalsContact O-CG1 3.31Å; E32-I36 WeakPolarHBondContact O-CG1 3.31Å; E32-I36 PolarHBondContact O-N 2.85Å
33Y96.4Very high91.1Very high1 Ų170.7 Ų70.70%0.00438%0.375CS..Hα-helixtrans-57.4-46.2174.2-173.9-76.2000111.5L29 D30 E35 I36 E37 L161 K200 A203 E204 M207L29-Y33 HydrophobicContact CB-CD1 3.97Å; L29-Y33 HydrophobicContact CB-CG 4.18Å; L29-Y33 HydrophobicContact CD1-CD1 3.39Å; L29-Y33 HydrophobicContact CD1-CE1 3.34Å; L29-Y33 HydrophobicContact CD1-CG 4.12Å; L29-Y33 HydrophobicContact CG-CD1 4.22Å; D30-Y33 PolarHBondContact O-N 3.31Å; D30-Y33 PolarHBondContact OD1-N 3.26Å; Y33-E35 PolarHBondContact O-N 3.3Å; Y33-I36 PolarHBondContact O-N 3.41Å; Y33-E37 HydrophobicContact CD1-CB 4.48Å; Y33-E37 HydrophobicContact CE1-CB 4.27Å; Y33-E37 VanDerWaalsContact O-CB 3.3Å; Y33-E37 WeakPolarHBondContact O-CB 3.49Å; Y33-E37 PolarHBondContact O-N 2.66Å; Y33-L161 HydrophobicContact CE1-CD2 4.29Å; Y33-L161 HydrophobicContact CE2-CD2 3.82Å; Y33-L161 WeakPolarHBondContact OH-CD2 3.1Å; Y33-K200 HydrophobicContact CD2-CG 4.17Å; Y33-K200 HydrophobicContact CE2-CG 4.24Å; Y33-A203 HydrophobicContact CE2-CB 4.17Å; Y33-A203 WeakPolarHBondContact OH-CB 3.4Å; Y33-E204 HydrophobicContact CD2-CB 4.04Å; Y33-E204 HydrophobicContact CD2-CG 4.37Å; Y33-E204 HydrophobicContact CE2-CB 4.13Å; Y33-M207 HydrophobicContact CD1-CE 4.41Å; Y33-M207 HydrophobicContact CD2-CE 4Å; Y33-M207 HydrophobicContact CE1-CE 3.91Å; Y33-M207 HydrophobicContact CE2-CE 3.48Å; Y33-M207 VanDerWaalsContact CE2-CE 3.48Å; Y33-M207 HydrophobicContact CG-CE 4.43Å; Y33-M207 VanDerWaalsContact CZ-CE 3.41Å
34V95.4Very high92.2Very high65 Ų6568.3 Ų68.339%0.39435%0.348SS..Hα-helixtrans-64.2-40.1-178.51750000111.3L29 D30 D31 E32 E37 K38L29-V34 HydrophobicContact CB-CG2 4.46Å; D30-V34 WeakPolarHBondContact O-CG2 3.29Å; D30-V34 PolarHBondContact O-N 3.47Å; D31-V34 PolarHBondContact O-N 3.45Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 3.05Å; V34-E37 PolarHBondContact O-N 2.85Å; V34-K38 WeakPolarHBondContact O-CB 3.48Å; V34-K38 PolarHBondContact O-N 3.33Å
35E96.5Very high93.5Very high96 Ų9671.9 Ų71.945%0.44936%0.358SS..Hα-helixtrans-69.3-39.4176.9-76-61.6130.400112.6D31 E32 Y33 K38 K39D31-E35 WeakPolarHBondContact O-CB 3.42Å; D31-E35 WeakPolarHBondContact O-CG 3.2Å; D31-E35 PolarHBondContact O-N 3.2Å; E32-E35 PolarHBondContact O-N 3.01Å; Y33-E35 PolarHBondContact O-N 3.3Å; E35-K38 PolarHBondContact O-N 2.96Å; E35-K38 IonicContact OE1-NZ 3.29Å; E35-K39 WeakPolarHBondContact O-CG 3.35Å; E35-K39 PolarHBondContact O-N 3.31Å; E35-K39 VanDerWaalsContact O-N 3.09Å
36I97Very high94.4Very high15 Ų1569.1 Ų69.18%0.07735%0.348CS..Hα-helixtrans-62-47.8173.4-70.6163.8000110.2E32 Y33 K38 K39 V40 M207 I208 L211E32-I36 HydrophobicContact CG-CD1 3.88Å; E32-I36 VanDerWaalsContact O-CG1 3.31Å; E32-I36 WeakPolarHBondContact O-CG1 3.31Å; E32-I36 PolarHBondContact O-N 2.85Å; Y33-I36 PolarHBondContact O-N 3.41Å; I36-K38 VanDerWaalsContact C-N 3.32Å; I36-K38 PolarHBondContact O-N 3.18Å; I36-K39 WeakPolarHBondContact O-CB 3.44Å; I36-K39 PolarHBondContact O-N 3.29Å; I36-K39 VanDerWaalsContact O-N 3.15Å; I36-V40 WeakPolarHBondContact O-CG2 3.43Å; I36-V40 PolarHBondContact O-N 2.87Å; I36-M207 HydrophobicContact CG2-CB 3.39Å; I36-M207 HydrophobicContact CG2-CE 3.88Å; I36-M207 HydrophobicContact CG2-CG 4.31Å; I36-M207 HydrophobicContact CG2-SD 4.12Å; I36-I208 HydrophobicContact CD1-CD1 3.95Å; I36-I208 HydrophobicContact CD1-CG1 3.75Å; I36-L211 HydrophobicContact CB-CD1 4.47Å; I36-L211 HydrophobicContact CG1-CD1 4.48Å; I36-L211 HydrophobicContact CG2-CD1 3.92Å
37E96.8Very high95.2Very high48 Ų4868.9 Ų68.922%0.22434%0.343CS..Hα-helixtrans-56.7-46.1178.2-179.1169.9-131.600111.6Y33 V34 K39 V40 D41 R158 M207Y33-E37 HydrophobicContact CD1-CB 4.48Å; Y33-E37 HydrophobicContact CE1-CB 4.27Å; Y33-E37 VanDerWaalsContact O-CB 3.3Å; Y33-E37 WeakPolarHBondContact O-CB 3.49Å; Y33-E37 PolarHBondContact O-N 2.66Å; V34-E37 PolarHBondContact O-N 2.85Å; E37-K39 VanDerWaalsContact C-N 3.35Å; E37-K39 PolarHBondContact O-N 2.82Å; E37-V40 PolarHBondContact O-N 3.18Å; E37-D41 PolarHBondContact O-N 2.9Å; E37-R158 IonicContact OE1-CZ 3.58Å; E37-R158 IonicContact OE1-NE 3.62Å; E37-R158 PolarHBondContact OE1-NE 3.29Å; E37-R158 IonicContact OE1-NH2 3.02Å; E37-R158 PolarHBondContact OE1-NH2 3.18Å; E37-M207 HydrophobicContact CB-CE 4.47Å; E37-M207 HydrophobicContact CB-SD 4.12Å
38K97.9Very high95.7Very high122 Ų12272 Ų7253%0.5336%0.355SS..Hα-helixtrans-60.8-39.9176.8-179.6-177.2172.9-168.50112.9V34 E35 I36 T42V34-K38 WeakPolarHBondContact O-CB 3.48Å; V34-K38 PolarHBondContact O-N 3.33Å; E35-K38 PolarHBondContact O-N 2.96Å; E35-K38 IonicContact OE1-NZ 3.29Å; I36-K38 VanDerWaalsContact C-N 3.32Å; I36-K38 PolarHBondContact O-N 3.18Å; K38-T42 WeakPolarHBondContact O-CB 3.41Å; K38-T42 PolarHBondContact O-N 2.55Å; K38-T42 PolarHBondContact O-OG1 2.86Å
39K97.7Very high96.2Very high119 Ų11967.9 Ų67.952%0.51734%0.341SS..Hα-helixtrans-64.5-45.4175.3-73.4176.6-178.8179.20111.2E35 I36 E37 D41 T42 I43 L211E35-K39 WeakPolarHBondContact O-CG 3.35Å; E35-K39 PolarHBondContact O-N 3.31Å; E35-K39 VanDerWaalsContact O-N 3.09Å; I36-K39 WeakPolarHBondContact O-CB 3.44Å; I36-K39 PolarHBondContact O-N 3.29Å; I36-K39 VanDerWaalsContact O-N 3.15Å; E37-K39 VanDerWaalsContact C-N 3.35Å; E37-K39 PolarHBondContact O-N 2.82Å; K39-D41 PolarHBondContact O-N 3.21Å; K39-T42 WeakPolarHBondContact O-CB 3.39Å; K39-T42 PolarHBondContact O-N 3.26Å; K39-I43 WeakPolarHBondContact O-CG1 3.31Å; K39-I43 PolarHBondContact O-N 2.85Å; K39-L211 HydrophobicContact CB-CD1 4.08Å; K39-L211 HydrophobicContact CB-CD2 4.01Å; K39-L211 HydrophobicContact CD-CD1 4.08Å
40V97.9Very high96.6Very high2 Ų268.1 Ų68.11%0.01234%0.343CS..Hα-helixtrans-61.2-44.7177.11770000111.5I36 E37 T42 I43 S44 L151 I154 M207 F210 L211I36-V40 WeakPolarHBondContact O-CG2 3.43Å; I36-V40 PolarHBondContact O-N 2.87Å; E37-V40 PolarHBondContact O-N 3.18Å; V40-T42 VanDerWaalsContact C-N 3.3Å; V40-T42 PolarHBondContact O-N 3.26Å; V40-I43 PolarHBondContact O-N 3.14Å; V40-S44 WeakPolarHBondContact O-CB 3.4Å; V40-S44 PolarHBondContact O-N 3.4Å; V40-L151 HydrophobicContact CG1-CD2 3.9Å; V40-I154 HydrophobicContact CG1-CD1 4.35Å; V40-I154 HydrophobicContact CG1-CG2 4.18Å; V40-M207 HydrophobicContact CG2-CB 3.82Å; V40-M207 HydrophobicContact CG2-CG 3.9Å; V40-M207 HydrophobicContact CG2-SD 4.29Å; V40-F210 HydrophobicContact CB-CE1 4.4Å; V40-F210 HydrophobicContact CG1-CD1 4.24Å; V40-F210 HydrophobicContact CG1-CE1 4.09Å; V40-F210 HydrophobicContact CG2-CD1 3.83Å; V40-F210 HydrophobicContact CG2-CE1 4.12Å; V40-L211 HydrophobicContact CG2-CD1 4.49Å; V40-L211 HydrophobicContact CG2-CD2 4.11Å; V40-L211 HydrophobicContact CG2-CG 4.17Å
41D98Very high96.8Very high69 Ų6966.2 Ų66.237%0.36933%0.333SS..Hα-helixtrans-62.7-38.2177.6-75.2-21.3000111.8E37 K39 S44 K45 R158E37-D41 PolarHBondContact O-N 2.9Å; K39-D41 PolarHBondContact O-N 3.21Å; D41-S44 PolarHBondContact O-N 3.38Å; D41-K45 PolarHBondContact O-N 3.23Å; D41-R158 IonicContact OD1-CZ 3.16Å; D41-R158 IonicContact OD1-NH1 3.37Å; D41-R158 PolarHBondContact OD1-NH1 3.39Å; D41-R158 IonicContact OD1-NH2 2.8Å; D41-R158 PolarHBondContact OD1-NH2 3.49Å; D41-R158 IonicContact OD2-CZ 3.21Å; D41-R158 IonicContact OD2-NH1 2.72Å; D41-R158 IonicContact OD2-NH2 2.74Å; D41-R158 PolarHBondContact OD2-NH2 3.48Å
42T98.1Very high96.9Very high89 Ų8961.6 Ų61.655%0.54631%0.314SS..Hα-helixtrans-64.1-46.8175.6-570000111.5K38 K39 V40 K45 L46K38-T42 WeakPolarHBondContact O-CB 3.41Å; K38-T42 PolarHBondContact O-N 2.55Å; K38-T42 PolarHBondContact O-OG1 2.86Å; K39-T42 WeakPolarHBondContact O-CB 3.39Å; K39-T42 PolarHBondContact O-N 3.26Å; V40-T42 VanDerWaalsContact C-N 3.3Å; V40-T42 PolarHBondContact O-N 3.26Å; T42-K45 PolarHBondContact O-N 3.48Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 2.86Å
43I97Very high97.1Very high39 Ų3961 Ų6120%0.231%0.311CS..Hα-helixtrans-67.9-39.3179.1-62.8166.4000110.9K39 V40 K45 L46 F47 F210 L211K39-I43 WeakPolarHBondContact O-CG1 3.31Å; K39-I43 PolarHBondContact O-N 2.85Å; V40-I43 PolarHBondContact O-N 3.14Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 2.87Å; I43-L46 WeakPolarHBondContact O-CB 3.33Å; I43-L46 PolarHBondContact O-N 2.84Å; I43-F47 HydrophobicContact CG2-CD1 4.01Å; I43-F47 HydrophobicContact CG2-CE1 3.53Å; I43-F47 HydrophobicContact CG2-CE2 4.11Å; I43-F47 HydrophobicContact CG2-CG 4.47Å; I43-F47 HydrophobicContact CG2-CZ 3.58Å; I43-F47 PolarHBondContact O-N 3.38Å; I43-F210 HydrophobicContact CB-CE1 4.17Å; I43-F210 HydrophobicContact CB-CZ 4.08Å; I43-F210 HydrophobicContact CD1-CE1 4Å; I43-F210 HydrophobicContact CD1-CZ 4.42Å; I43-F210 HydrophobicContact CG2-CE1 4.15Å; I43-F210 HydrophobicContact CG2-CZ 3.59Å; I43-L211 HydrophobicContact CD1-CD2 3.54Å
44S97Very high97.1Very high22 Ų2261.5 Ų61.515%0.15432%0.315CS..Hα-helixtrans-55.8-47.5174.1-174.80000110.9V40 D41 F47 E48V40-S44 WeakPolarHBondContact O-CB 3.4Å; V40-S44 PolarHBondContact O-N 3.4Å; D41-S44 PolarHBondContact O-N 3.38Å; S44-F47 PolarHBondContact O-N 3.07Å; S44-E48 PolarHBondContact O-N 3.39Å
45K97.8Very high97.1Very high100 Ų10059.2 Ų59.244%0.43530%0.299SS..Hα-helixtrans-67.5-41.1178.3-17552.5180152.90112.2D41 T42 I43 F47 E48 D49D41-K45 PolarHBondContact O-N 3.23Å; T42-K45 PolarHBondContact O-N 3.48Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 2.87Å; K45-F47 VanDerWaalsContact C-N 3.31Å; K45-F47 PolarHBondContact O-N 3Å; K45-E48 IonicContact NZ-OE2 3.54Å; K45-E48 PolarHBondContact NZ-OE2 3.27Å; K45-E48 PolarHBondContact O-N 3.11Å; K45-D49 WeakPolarHBondContact CE-OD1 3.48Å; K45-D49 VanDerWaalsContact CE-OD2 3.28Å; K45-D49 WeakPolarHBondContact CE-OD2 3.46Å; K45-D49 IonicContact NZ-OD1 2.64Å; K45-D49 PolarHBondContact NZ-OD1 3.3Å; K45-D49 IonicContact NZ-OD2 3.83Å; K45-D49 PolarHBondContact O-N 3.12Å; K45-D49 VanDerWaalsContact O-N 3.09Å
46L97.4Very high97Very high92 Ų9258.4 Ų58.448%0.48230%0.296SS..Hα-helixtrans-55.1-46.3174.5175.368.9000111.4T42 I43 D49 V50T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 2.86Å; I43-L46 WeakPolarHBondContact O-CB 3.33Å; I43-L46 PolarHBondContact O-N 2.84Å; L46-D49 PolarHBondContact O-N 2.83Å; L46-V50 HydrophobicContact CD1-CG2 3.62Å; L46-V50 HydrophobicContact CG-CG2 4.06Å; L46-V50 VanDerWaalsContact O-CB 3.28Å; L46-V50 WeakPolarHBondContact O-CB 3.35Å; L46-V50 VanDerWaalsContact O-CG2 3.23Å; L46-V50 WeakPolarHBondContact O-CG2 3.31Å; L46-V50 PolarHBondContact O-N 3.34Å
47F96.9Very high97Very high11 Ų1163 Ų635%0.04831%0.313CS..Hα-helixtrans-64.7-41.2-179.6-73.94.6000112.4I43 S44 K45 D49 I51 L143 V146 Q147 L151 Q217I43-F47 HydrophobicContact CG2-CD1 4.01Å; I43-F47 HydrophobicContact CG2-CE1 3.53Å; I43-F47 HydrophobicContact CG2-CE2 4.11Å; I43-F47 HydrophobicContact CG2-CG 4.47Å; I43-F47 HydrophobicContact CG2-CZ 3.58Å; I43-F47 PolarHBondContact O-N 3.38Å; S44-F47 PolarHBondContact O-N 3.07Å; K45-F47 VanDerWaalsContact C-N 3.31Å; K45-F47 PolarHBondContact O-N 3Å; F47-D49 VanDerWaalsContact C-N 3.32Å; F47-D49 PolarHBondContact O-N 2.86Å; F47-I51 VanDerWaalsContact O-CB 3.27Å; F47-I51 WeakPolarHBondContact O-CB 3.41Å; F47-I51 WeakPolarHBondContact O-CD1 3.32Å; F47-I51 WeakPolarHBondContact O-CG1 3.47Å; F47-I51 PolarHBondContact O-N 3Å; F47-L143 HydrophobicContact CD1-CD2 4.09Å; F47-L143 HydrophobicContact CD2-CD2 4.35Å; F47-L143 HydrophobicContact CE1-CD2 3.8Å; F47-L143 HydrophobicContact CE2-CD2 4.07Å; F47-L143 HydrophobicContact CG-CD2 4.38Å; F47-L143 HydrophobicContact CZ-CD2 3.8Å; F47-V146 HydrophobicContact CD2-CG1 4.37Å; F47-V146 HydrophobicContact CE2-CB 4Å; F47-V146 HydrophobicContact CE2-CG1 3.69Å; F47-Q147 HydrophobicContact CB-CG 4.07Å; F47-Q147 HydrophobicContact CD2-CG 4.2Å; F47-L151 HydrophobicContact CD2-CD1 4.4Å; F47-Q217 HydrophobicContact CE1-CG 4.29Å; F47-Q217 HydrophobicContact CZ-CG 3.64Å
48E96.4Very high96.9Very high96 Ų9660.9 Ų60.945%0.44930%0.303SS..Hα-helixtrans-56.8-48.9174.9-69.7174.4-174.700111S44 K45 A52 Q147S44-E48 PolarHBondContact O-N 3.39Å; K45-E48 IonicContact NZ-OE2 3.54Å; K45-E48 PolarHBondContact NZ-OE2 3.27Å; K45-E48 PolarHBondContact O-N 3.11Å; E48-A52 WeakPolarHBondContact O-CB 3.19Å; E48-A52 PolarHBondContact O-N 3.27Å; E48-A52 VanDerWaalsContact O-N 3.14Å; E48-Q147 VanDerWaalsContact N-NE2 3.1Å
49D98Very high96.8Very high74 Ų7455.3 Ų55.340%0.39628%0.279SS..Hα-helixtrans-72.8-42-175-64.9-16.5000111.4K45 L46 F47 A52 Q53K45-D49 WeakPolarHBondContact CE-OD1 3.48Å; K45-D49 VanDerWaalsContact CE-OD2 3.28Å; K45-D49 WeakPolarHBondContact CE-OD2 3.46Å; K45-D49 IonicContact NZ-OD1 2.64Å; K45-D49 PolarHBondContact NZ-OD1 3.3Å; K45-D49 IonicContact NZ-OD2 3.83Å; K45-D49 PolarHBondContact O-N 3.12Å; K45-D49 VanDerWaalsContact O-N 3.09Å; L46-D49 PolarHBondContact O-N 2.83Å; F47-D49 VanDerWaalsContact C-N 3.32Å; F47-D49 PolarHBondContact O-N 2.86Å; D49-A52 PolarHBondContact O-N 2.91Å; D49-Q53 VanDerWaalsContact O-CB 3.32Å; D49-Q53 WeakPolarHBondContact O-CB 3.44Å; D49-Q53 VanDerWaalsContact O-CG 3.24Å; D49-Q53 WeakPolarHBondContact O-CG 3.4Å; D49-Q53 PolarHBondContact O-N 3.1Å
50V97.4Very high96.6Very high43 Ų4354.1 Ų54.126%0.26128%0.283SS..Hα-helixtrans-65.2-42.8178.3168.30000111.6L46 T54 F139 L143L46-V50 HydrophobicContact CD1-CG2 3.62Å; L46-V50 HydrophobicContact CG-CG2 4.06Å; L46-V50 VanDerWaalsContact O-CB 3.28Å; L46-V50 WeakPolarHBondContact O-CB 3.35Å; L46-V50 VanDerWaalsContact O-CG2 3.23Å; L46-V50 WeakPolarHBondContact O-CG2 3.31Å; L46-V50 PolarHBondContact O-N 3.34Å; V50-T54 WeakPolarHBondContact O-CB 3.29Å; V50-T54 PolarHBondContact O-N 3.35Å; V50-T54 PolarHBondContact O-OG1 3.3Å; V50-F139 HydrophobicContact CG1-CE1 4.08Å; V50-F139 HydrophobicContact CG1-CZ 3.62Å; V50-L143 HydrophobicContact CG1-CD1 4.22Å
51I96.2Very high96.4Very high19 Ų1957.2 Ų57.210%0.09730%0.3CS..Hα-helixtrans-61.9-47.9176.3-72.1167.2000110F47 T54 H55 L140 L143 H144F47-I51 VanDerWaalsContact O-CB 3.27Å; F47-I51 WeakPolarHBondContact O-CB 3.41Å; F47-I51 WeakPolarHBondContact O-CD1 3.32Å; F47-I51 WeakPolarHBondContact O-CG1 3.47Å; F47-I51 PolarHBondContact O-N 3Å; I51-T54 PolarHBondContact O-N 3.29Å; I51-H55 PolarHBondContact O-CD2 3.05Å; I51-H55 VanDerWaalsContact O-CD2 3.24Å; I51-H55 PolarHBondContact O-N 3.35Å; I51-L140 HydrophobicContact CB-CD2 4.5Å; I51-L140 HydrophobicContact CG1-CD2 4.4Å; I51-L140 HydrophobicContact CG2-CD2 4.35Å; I51-L143 HydrophobicContact CD1-CB 3.82Å; I51-L143 HydrophobicContact CG1-CB 4.02Å; I51-L143 HydrophobicContact CG1-CD1 4.28Å; I51-H144 HydrophobicContact CD1-CB 4.42Å
52A95.3Very high96.1Very high43 Ų4358.2 Ų58.236%0.35531%0.31SS..Hα-helixtrans-59.6-53.117900000111.3E48 D49 T54 H55 E56E48-A52 WeakPolarHBondContact O-CB 3.19Å; E48-A52 PolarHBondContact O-N 3.27Å; E48-A52 VanDerWaalsContact O-N 3.14Å; D49-A52 PolarHBondContact O-N 2.91Å; A52-T54 VanDerWaalsContact C-N 3.31Å; A52-T54 PolarHBondContact O-N 3.22Å; A52-H55 WeakPolarHBondContact O-CB 3.49Å; A52-H55 PolarHBondContact O-N 3.13Å; A52-H55 VanDerWaalsContact O-N 3.14Å; A52-E56 VanDerWaalsContact O-CG 3.25Å; A52-E56 WeakPolarHBondContact O-CG 3.46Å; A52-E56 PolarHBondContact O-N 3.49Å; A52-E56 VanDerWaalsContact O-N 3.11Å
53Q97.5Very high95.7Very high116 Ų11656.8 Ų56.854%0.54231%0.308SS..Hα-helixtrans-61.7-37.2-179.5-71.7-61.1-46.200112.6D49 E56 Y57D49-Q53 VanDerWaalsContact O-CB 3.32Å; D49-Q53 WeakPolarHBondContact O-CB 3.44Å; D49-Q53 VanDerWaalsContact O-CG 3.24Å; D49-Q53 WeakPolarHBondContact O-CG 3.4Å; D49-Q53 PolarHBondContact O-N 3.1Å; Q53-E56 PolarHBondContact O-N 2.74Å; Q53-Y57 VanDerWaalsContact O-CB 3.3Å; Q53-Y57 WeakPolarHBondContact O-CB 3.46Å; Q53-Y57 PolarHBondContact O-N 3.3Å
54T97.1Very high95.3Very high11 Ų1157.2 Ų57.27%0.06731%0.307CS..Hα-helixtrans-66.9-38.4176.7-57.80000111.4V50 I51 A52 Y57 L58 V135 F139 L140 F224V50-T54 WeakPolarHBondContact O-CB 3.29Å; V50-T54 PolarHBondContact O-N 3.35Å; V50-T54 PolarHBondContact O-OG1 3.3Å; I51-T54 PolarHBondContact O-N 3.29Å; A52-T54 VanDerWaalsContact C-N 3.31Å; A52-T54 PolarHBondContact O-N 3.22Å; T54-Y57 PolarHBondContact O-N 2.96Å; T54-L58 HydrophobicContact CG2-CD1 4.26Å; T54-L58 HydrophobicContact CG2-CG 4.33Å; T54-L58 WeakPolarHBondContact O-CB 3.49Å; T54-L58 VanDerWaalsContact O-CG 3.3Å; T54-L58 WeakPolarHBondContact O-CG 3.41Å; T54-L58 PolarHBondContact O-N 3.18Å; T54-V135 HydrophobicContact CG2-CG1 3.97Å; T54-F139 HydrophobicContact CG2-CD1 4.09Å; T54-F139 HydrophobicContact CG2-CE1 3.98Å; T54-L140 HydrophobicContact CG2-CD1 4.34Å; T54-L140 HydrophobicContact CG2-CD2 3.75Å; T54-L140 HydrophobicContact CG2-CG 4.23Å; T54-F224 HydrophobicContact CG2-CE2 4.13Å
55H94.5Very high95Very high17 Ų1758.1 Ų58.18%0.07931%0.307CS..Hα-helixtrans-62.7-40.6172.7-81.9-59.9000112.7I51 A52 Q59 R65 M69I51-H55 PolarHBondContact O-CD2 3.05Å; I51-H55 VanDerWaalsContact O-CD2 3.24Å; I51-H55 PolarHBondContact O-N 3.35Å; A52-H55 WeakPolarHBondContact O-CB 3.49Å; A52-H55 PolarHBondContact O-N 3.13Å; A52-H55 VanDerWaalsContact O-N 3.14Å; H55-Q59 PolarHBondContact O-N 3.01Å; H55-R65 HydrophobicContact CB-CG 4.05Å; H55-M69 HydrophobicContact CB-CE 3.75Å
56E96Very high94.5Very high79 Ų7956 Ų5637%0.36931%0.308SS..Hα-helixtrans-67-39.4175.8-43.7-152.8131.700112A52 Q53 Q59 P60 R65A52-E56 VanDerWaalsContact O-CG 3.25Å; A52-E56 WeakPolarHBondContact O-CG 3.46Å; A52-E56 PolarHBondContact O-N 3.49Å; A52-E56 VanDerWaalsContact O-N 3.11Å; Q53-E56 PolarHBondContact O-N 2.74Å; E56-Q59 CarbonylContact O-C 3.56Å; E56-P60 VanDerWaalsContact O-CA 3.28Å; E56-P60 WeakPolarHBondContact O-CA 3.36Å; E56-P60 WeakPolarHBondContact O-CD 3.3Å; E56-R65 IonicContact OE1-CZ 3.46Å; E56-R65 IonicContact OE1-NH1 3.47Å; E56-R65 PolarHBondContact OE1-NH1 3.19Å; E56-R65 IonicContact OE1-NH2 3.32Å
57Y96.6Very high93.9Very high113 Ų11355.8 Ų55.844%0.44330%0.303SS..Hα-helixtrans-62.3-47.9175.6164.5-105.4000112.1Q53 T54 F224 Q228Q53-Y57 VanDerWaalsContact O-CB 3.3Å; Q53-Y57 WeakPolarHBondContact O-CB 3.46Å; Q53-Y57 PolarHBondContact O-N 3.3Å; T54-Y57 PolarHBondContact O-N 2.96Å; Y57-F224 HydrophobicContact CD1-CE2 4.48Å; Y57-F224 HydrophobicContact CD1-CZ 4.38Å; Y57-F224 HydrophobicContact CE1-CE2 4.23Å; Y57-F224 HydrophobicContact CE1-CZ 4.12Å; Y57-Q228 VanDerWaalsContact OH-CD 3.25Å; Y57-Q228 PolarHBondContact OH-OE1 2.9Å
58L95.2Very high93.1Very high2 Ų255.4 Ų55.41%0.0130%0.301CS..Hα-helixtrans-67.2-41.4179.6-69.4178.9000111.6T54 L68 K128 M131 E132 V135 L140T54-L58 HydrophobicContact CG2-CD1 4.26Å; T54-L58 HydrophobicContact CG2-CG 4.33Å; T54-L58 WeakPolarHBondContact O-CB 3.49Å; T54-L58 VanDerWaalsContact O-CG 3.3Å; T54-L58 WeakPolarHBondContact O-CG 3.41Å; T54-L58 PolarHBondContact O-N 3.18Å; L58-L68 HydrophobicContact CB-CD2 3.91Å; L58-L68 HydrophobicContact CD1-CD2 3.97Å; L58-K128 PolarHBondContact O-NZ 3.18Å; L58-M131 HydrophobicContact CD2-SD 3.62Å; L58-E132 HydrophobicContact CB-CG 4.43Å; L58-E132 HydrophobicContact CD2-CG 4.19Å; L58-V135 HydrophobicContact CD1-CB 4.16Å; L58-V135 HydrophobicContact CD1-CG1 3.74Å; L58-V135 HydrophobicContact CD2-CB 4.44Å; L58-V135 HydrophobicContact CD2-CG1 4.36Å; L58-V135 HydrophobicContact CD2-CG2 4.44Å; L58-V135 HydrophobicContact CG-CG1 4.47Å; L58-L140 HydrophobicContact CD1-CD1 4.05Å
59Q94Very high92.3Very high6 Ų655.3 Ų55.33%0.02830%0.302CS..  trans-136.190.2-177.8-74.4-61.4-42.800111.1H55 E56 N61 Y64 R65 L68 Y86 E132H55-Q59 PolarHBondContact O-N 3.01Å; E56-Q59 CarbonylContact O-C 3.56Å; Q59-N61 PolarHBondContact O-N 3.42Å; Q59-Y64 VanDerWaalsContact OE1-CB 3.23Å; Q59-R65 HydrophobicContact CB-CB 3.98Å; Q59-R65 HydrophobicContact CB-CG 4.39Å; Q59-R65 PolarHBondContact O-NE 2.89Å; Q59-L68 HydrophobicContact CB-CD2 4.44Å; Q59-L68 HydrophobicContact CG-CB 4.45Å; Q59-L68 HydrophobicContact CG-CD2 3.99Å; Q59-Y86 HydrophobicContact CG-CE2 3.98Å; Q59-Y86 VanDerWaalsContact NE2-CE2 3.33Å; Q59-E132 PolarHBondContact NE2-OE1 3.35Å
60P95.3Very high91.2Very high93 Ų9355.3 Ų55.360%0.60431%0.305SS*.  trans-60-36.3176.8-27.636.2000112.4E56 P62 R65E56-P60 VanDerWaalsContact O-CA 3.28Å; E56-P60 WeakPolarHBondContact O-CA 3.36Å; E56-P60 WeakPolarHBondContact O-CD 3.3Å; P60-P62 VanDerWaalsContact O-CD 3.31Å; P60-P62 WeakPolarHBondContact O-CD 3.38Å; P60-R65 PolarHBondContact O-NH2 2.7Å
61N92.6Very high89.5Confident67 Ų6755 Ų5536%0.35830%0.301SS..SBendtrans-68.7117.8177-174.5-35.4000111.1Q59 A63 Y64 R65Q59-N61 PolarHBondContact O-N 3.42Å; N61-A63 VanDerWaalsContact C-N 3.27Å; N61-A63 PolarHBondContact O-N 2.96Å; N61-A63 WeakPolarHBondContact OD1-CB 3.44Å; N61-A63 PolarHBondContact OD1-N 3.41Å; N61-Y64 HydrophobicContact CB-CD2 3.81Å; N61-Y64 HydrophobicContact CB-CE2 4.4Å; N61-Y64 HydrophobicContact CB-CG 4.26Å; N61-Y64 PolarHBondContact O-N 3.3Å; N61-R65 WeakPolarHBondContact O-CB 3.25Å; N61-R65 PolarHBondContact O-N 3.45Å
62P92.4Very high87.6Confident90 Ų9056.5 Ų56.558%0.58431%0.309SS*.Hα-helixtrans-57.2-35.6-178.7-25.534.9000114.2P60 R65 A66P60-P62 VanDerWaalsContact O-CD 3.31Å; P60-P62 WeakPolarHBondContact O-CD 3.38Å; P62-R65 PolarHBondContact O-N 3.49Å; P62-A66 PolarHBondContact O-N 2.82Å; P62-A66 VanDerWaalsContact O-N 3.1Å
63A88.5Confident85.6Confident60 Ų6059.4 Ų59.450%0.49632%0.322SS..Hα-helixtrans-67.3-37.9-178.900000112.1N61N61-A63 VanDerWaalsContact C-N 3.27Å; N61-A63 PolarHBondContact O-N 2.96Å; N61-A63 WeakPolarHBondContact OD1-CB 3.44Å; N61-A63 PolarHBondContact OD1-N 3.41Å
64Y89.4Confident83.1Confident47 Ų4758.5 Ų58.518%0.18432%0.321CS..Hα-helixtrans-81.2-33.3177.8-57.7-22.5000111.6Q59 N61 A66 K67 L68 Y86 P87Q59-Y64 VanDerWaalsContact OE1-CB 3.23Å; N61-Y64 HydrophobicContact CB-CD2 3.81Å; N61-Y64 HydrophobicContact CB-CE2 4.4Å; N61-Y64 HydrophobicContact CB-CG 4.26Å; N61-Y64 PolarHBondContact O-N 3.3Å; Y64-A66 VanDerWaalsContact C-N 3.35Å; Y64-A66 PolarHBondContact O-N 3.15Å; Y64-K67 WeakPolarHBondContact O-CA 3.41Å; Y64-K67 WeakPolarHBondContact O-CB 3.41Å; Y64-K67 PolarHBondContact O-N 3.37Å; Y64-L68 PolarHBondContact O-N 3.09Å; Y64-Y86 HydrophobicContact CD1-CG 4.36Å; Y64-Y86 HydrophobicContact CD2-CD2 4.46Å; Y64-Y86 HydrophobicContact CG-CD2 4.09Å; Y64-Y86 HydrophobicContact CG-CG 4.17Å; Y64-P87 HydrophobicContact CE1-CG 4.28Å; Y64-P87 HydrophobicContact CE2-CG 4.44Å
65R91.7Very high80.9Confident42 Ų4260.8 Ų60.816%0.15833%0.333CS..Hα-helixtrans-57.2-45.2172.6-165.3-171.6-54170.5-3112.6H55 E56 Q59 P60 N61 P62 K67 L68 M69H55-R65 HydrophobicContact CB-CG 4.05Å; E56-R65 IonicContact OE1-CZ 3.46Å; E56-R65 IonicContact OE1-NH1 3.47Å; E56-R65 PolarHBondContact OE1-NH1 3.19Å; E56-R65 IonicContact OE1-NH2 3.32Å; Q59-R65 HydrophobicContact CB-CB 3.98Å; Q59-R65 HydrophobicContact CB-CG 4.39Å; Q59-R65 PolarHBondContact O-NE 2.89Å; P60-R65 PolarHBondContact O-NH2 2.7Å; N61-R65 WeakPolarHBondContact O-CB 3.25Å; N61-R65 PolarHBondContact O-N 3.45Å; P62-R65 PolarHBondContact O-N 3.49Å; R65-K67 PolarHBondContact O-N 3Å; R65-L68 WeakPolarHBondContact O-CB 3.1Å; R65-L68 PolarHBondContact O-N 3.49Å; R65-M69 HydrophobicContact CG-CE 4.06Å; R65-M69 WeakPolarHBondContact O-CG 3.41Å; R65-M69 PolarHBondContact O-N 2.88Å
66A86.6Confident78.8Confident54 Ų5468.7 Ų68.745%0.44637%0.367SS..Hα-helixtrans-60.1-35.117600000112.4P62 Y64 T70P62-A66 PolarHBondContact O-N 2.82Å; P62-A66 VanDerWaalsContact O-N 3.1Å; Y64-A66 VanDerWaalsContact C-N 3.35Å; Y64-A66 PolarHBondContact O-N 3.15Å; A66-T70 WeakPolarHBondContact O-CG2 3.46Å; A66-T70 PolarHBondContact O-N 3Å; A66-T70 PolarHBondContact O-OG1 2.74Å; A66-T70 VanDerWaalsContact O-OG1 3.05Å
67K83.6Confident76.6Confident88 Ų8872 Ų7238%0.38339%0.386SS..Hα-helixtrans-69.8-43.8174.7-68176.4168.7-167.40111.6Y64 R65 M69 T70 M71 A85 Y86Y64-K67 WeakPolarHBondContact O-CA 3.41Å; Y64-K67 WeakPolarHBondContact O-CB 3.41Å; Y64-K67 PolarHBondContact O-N 3.37Å; R65-K67 PolarHBondContact O-N 3Å; K67-M69 VanDerWaalsContact C-N 3.28Å; K67-M69 PolarHBondContact O-N 3.48Å; K67-T70 PolarHBondContact O-N 3.13Å; K67-T70 PolarHBondContact O-OG1 3.11Å; K67-M71 WeakPolarHBondContact O-CG 3.1Å; K67-M71 PolarHBondContact O-N 2.8Å; K67-M71 VanDerWaalsContact O-N 3.13Å; K67-A85 PolarHBondContact NZ-O 3.32Å; K67-Y86 HydrophobicContact CB-CD1 3.59Å; K67-Y86 HydrophobicContact CB-CE1 4.16Å; K67-Y86 HydrophobicContact CD-CD1 4.18Å; K67-Y86 HydrophobicContact CD-CG 4.44Å
68L81.9Confident74.5Confident3 Ų372 Ų722%0.01639%0.39CS..Hα-helixtrans-56.7-40.8175.3177.963.6000112.5L58 Q59 Y64 R65 T70 M71 Y86 K136L58-L68 HydrophobicContact CB-CD2 3.91Å; L58-L68 HydrophobicContact CD1-CD2 3.97Å; Q59-L68 HydrophobicContact CB-CD2 4.44Å; Q59-L68 HydrophobicContact CG-CB 4.45Å; Q59-L68 HydrophobicContact CG-CD2 3.99Å; Y64-L68 PolarHBondContact O-N 3.09Å; R65-L68 WeakPolarHBondContact O-CB 3.1Å; R65-L68 PolarHBondContact O-N 3.49Å; L68-T70 VanDerWaalsContact C-N 3.28Å; L68-T70 PolarHBondContact O-N 3.35Å; L68-M71 HydrophobicContact CD1-SD 4.21Å; L68-Y86 HydrophobicContact CB-CE1 4.01Å; L68-K136 HydrophobicContact CD1-CD 4.18Å; L68-K136 PolarHBondContact O-NZ 3.37Å
69M78.7Confident72Confident95 Ų9575.4 Ų75.447%0.46843%0.426SS..Hα-helixtrans-63.2-33.4176.7-69.8174.1175.500112.4H55 R65 K67H55-M69 HydrophobicContact CB-CE 3.75Å; R65-M69 HydrophobicContact CG-CE 4.06Å; R65-M69 WeakPolarHBondContact O-CG 3.41Å; R65-M69 PolarHBondContact O-N 2.88Å; K67-M69 VanDerWaalsContact C-N 3.28Å; K67-M69 PolarHBondContact O-N 3.48Å
70T75.4Confident69.3Low73 Ų7381.9 Ų81.945%0.44845%0.454SS..Hα-helixtrans-95-7.5-173.5530000115.1A66 K67 L68 N72 T73A66-T70 WeakPolarHBondContact O-CG2 3.46Å; A66-T70 PolarHBondContact O-N 3Å; A66-T70 PolarHBondContact O-OG1 2.74Å; A66-T70 VanDerWaalsContact O-OG1 3.05Å; K67-T70 PolarHBondContact O-N 3.13Å; K67-T70 PolarHBondContact O-OG1 3.11Å; L68-T70 VanDerWaalsContact C-N 3.28Å; L68-T70 PolarHBondContact O-N 3.35Å; T70-N72 PolarHBondContact O-N 2.78Å; T70-T73 PolarHBondContact O-N 3.37Å; T70-T73 VanDerWaalsContact O-N 3.15Å
71M61.4Low66.8Low37 Ų3782.7 Ų82.718%0.18246%0.462CS..Hα-helixtrans-55.6-29-173.2-84.1171.98900115K67 L68 N75 A85 Y86K67-M71 WeakPolarHBondContact O-CG 3.1Å; K67-M71 PolarHBondContact O-N 2.8Å; K67-M71 VanDerWaalsContact O-N 3.13Å; L68-M71 HydrophobicContact CD1-SD 4.21Å; M71-N75 PolarHBondContact O-N 2.73Å; M71-N75 PolarHBondContact O-ND2 2.79Å; M71-A85 HydrophobicContact CE-CB 4.42Å; M71-A85 HydrophobicContact CG-CB 4.09Å; M71-A85 HydrophobicContact SD-CB 4.33Å; M71-Y86 HydrophobicContact SD-CE1 3.87Å
72N55.8Low64.7Low50 Ų5088.3 Ų88.327%0.26748%0.483SS..Hα-helixtrans-79.6-25.3-177.5-74.1-6.5000114.1T70 K136 D141T70-N72 PolarHBondContact O-N 2.78Å; N72-K136 WeakPolarHBondContact ND2-CE 3.5Å; N72-K136 WeakPolarHBondContact OD1-CE 3.45Å; N72-D141 PolarHBondContact ND2-OD1 2.99Å; N72-D141 PolarHBondContact ND2-OD2 2.84Å
73T52.7Low62.5Low104 Ų10488.3 Ų88.364%0.63848%0.484SS*.Hα-helixtrans-77.4-31.3-176.9-46.20000111.6T70 L77T70-T73 PolarHBondContact O-N 3.37Å; T70-T73 VanDerWaalsContact O-N 3.15Å; T73-L77 WeakPolarHBondContact O-CD1 3.4Å
74L46.2Very low61Low97 Ų9788.4 Ų88.451%0.50848%0.479SS..Hα-helixtrans-93-37.4-174.3-87.2155.4000113.9K76 L77 Q78L74-K76 PolarHBondContact O-N 3.38Å; L74-L77 PolarHBondContact O-N 2.92Å; L74-Q78 PolarHBondContact O-N 3.38Å
75N50.8Low59.9Low59 Ų5988.5 Ų88.532%0.31649%0.489SS..Hα-helixtrans-72.5-31-173.8-72.1-16.2000113.2M71 L77M71-N75 PolarHBondContact O-N 2.73Å; M71-N75 PolarHBondContact O-ND2 2.79Å; N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 3.09Å
76K50.4Low59.6Low184 Ų18486.8 Ų86.880%0.848%0.483SS*.Hα-helixtrans-70.7-26.1174.7-73.7-178.9179.4174.20113.4L74L74-K76 PolarHBondContact O-N 3.38Å
77L49Very low59.8Low147 Ų14786.2 Ų86.277%0.7748%0.475SS*.Hα-helixtrans-84.2-22.7-179.3-78.4168.7000113.8T73 L74 N75T73-L77 WeakPolarHBondContact O-CD1 3.4Å; L74-L77 PolarHBondContact O-N 2.92Å; N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 3.09Å
78Q53.4Low60.3Low114 Ų11482.1 Ų82.153%0.53346%0.457SS..Hα-helixtrans-105-6.1-172.8-66.4-169-2.400114.6L74 K80L74-Q78 PolarHBondContact O-N 3.38Å; Q78-K80 HydrophobicContact CB-CG 4.42Å; Q78-K80 PolarHBondContact O-N 3.31Å
79G41.5Very low61Low73 Ų7385.5 Ų85.575%0.75348%0.479SS*.  trans58.914.1-178.400000114
80K38.8Very low61.8Low142 Ų14282.9 Ų82.962%0.61747%0.466SS*.  trans-91113.9180-74.2-177.3179.4177.20108.8Q78Q78-K80 HydrophobicContact CB-CG 4.42Å; Q78-K80 PolarHBondContact O-N 3.31Å
81S41.8Very low62.8Low111 Ų11181.4 Ų81.478%0.77646%0.455SS*.  trans-68.1129.6172.6-67.20000110.2
82K49.6Very low64.5Low184 Ų18484 Ų8480%0.847%0.467SS*.  trans60.854.2152.6-55.7-174.7177.6-165.70117.4
83C46.1Very low66.5Low90 Ų9085.4 Ų85.461%0.60847%0.474SS*.  trans-106.1108.8166-149.50000110.3A85C83-A85 PolarHBondContact O-N 2.96Å
84T56Low68.7Low63 Ų6380.4 Ų80.439%0.38744%0.443SS..  trans-62.1115.7173.149.60000109.3Y86 Y129T84-Y86 VanDerWaalsContact C-N 3.28Å; T84-Y86 PolarHBondContact O-N 2.88Å; T84-Y129 VanDerWaalsContact CB-CE1 3.45Å; T84-Y129 HydrophobicContact CG2-CD1 3.39Å; T84-Y129 HydrophobicContact CG2-CD2 3.56Å; T84-Y129 HydrophobicContact CG2-CE1 3.72Å; T84-Y129 HydrophobicContact CG2-CE2 3.89Å; T84-Y129 HydrophobicContact CG2-CG 3.3Å
85A67.5Low71.1Confident49 Ų4979.9 Ų79.941%0.40544%0.438SS..SBendtrans-76.1-8.6-163.200000115.4K67 M71 C83K67-A85 PolarHBondContact NZ-O 3.32Å; M71-A85 HydrophobicContact CE-CB 4.42Å; M71-A85 HydrophobicContact CG-CB 4.09Å; M71-A85 HydrophobicContact SD-CB 4.33Å; C83-A85 PolarHBondContact O-N 2.96Å
86Y85.5Confident73.4Confident5 Ų579.9 Ų79.92%0.0244%0.442CS..SBendtrans-150.9152-176.450.7-92.8000110.9Q59 Y64 K67 L68 M71 T84 Y129 E132Q59-Y86 HydrophobicContact CG-CE2 3.98Å; Q59-Y86 VanDerWaalsContact NE2-CE2 3.33Å; Y64-Y86 HydrophobicContact CD1-CG 4.36Å; Y64-Y86 HydrophobicContact CD2-CD2 4.46Å; Y64-Y86 HydrophobicContact CG-CD2 4.09Å; Y64-Y86 HydrophobicContact CG-CG 4.17Å; K67-Y86 HydrophobicContact CB-CD1 3.59Å; K67-Y86 HydrophobicContact CB-CE1 4.16Å; K67-Y86 HydrophobicContact CD-CD1 4.18Å; K67-Y86 HydrophobicContact CD-CG 4.44Å; L68-Y86 HydrophobicContact CB-CE1 4.01Å; M71-Y86 HydrophobicContact SD-CE1 3.87Å; T84-Y86 VanDerWaalsContact C-N 3.28Å; T84-Y86 PolarHBondContact O-N 2.88Å; Y86-Y129 HydrophobicContact CE2-CE1 4.45Å; Y86-Y129 WeakPolarHBondContact O-CE1 3.36Å; Y86-Y129 PolarHBondContact O-OH 2.89Å; Y86-E132 PolarHBondContact OH-OE2 2.84Å
87P90.2Very high75.7Confident43 Ų4373 Ų7328%0.27941%0.413SS..  trans-74.4136.2178.931.3-34.5000111.4Y64 Q92Y64-P87 HydrophobicContact CE1-CG 4.28Å; Y64-P87 HydrophobicContact CE2-CG 4.44Å; P87-Q92 HydrophobicContact CB-CG 4.11Å
88Q93.6Very high78.1Confident2 Ų266.2 Ų66.21%0.00938%0.378CS..  trans-81144.5168-65.7-702.300111E90 N91 Q92 A125 K128 Y129 E132Q88-E90 PolarHBondContact O-N 3.41Å; Q88-N91 WeakPolarHBondContact O-CB 3.47Å; Q88-N91 PolarHBondContact O-N 3.34Å; Q88-Q92 PolarHBondContact O-N 2.92Å; Q88-Q92 VanDerWaalsContact O-N 3.12Å; Q88-A125 HydrophobicContact CB-CB 4.02Å; Q88-K128 HydrophobicContact CG-CG 4.28Å; Q88-Y129 HydrophobicContact CG-CD1 3.86Å; Q88-Y129 HydrophobicContact CG-CD2 4.32Å; Q88-Y129 HydrophobicContact CG-CE1 3.32Å; Q88-Y129 HydrophobicContact CG-CE2 3.86Å; Q88-Y129 HydrophobicContact CG-CG 4.32Å; Q88-Y129 PolarHBondContact N-OH 3.43Å; Q88-Y129 VanDerWaalsContact N-OH 3.15Å; Q88-E132 PolarHBondContact NE2-OE1 3.31Å; Q88-E132 PolarHBondContact NE2-OE2 3.11Å
89P95.7Very high80.2Confident74 Ų7466.1 Ų66.148%0.48138%0.376SS..Hα-helixtrans-54.4-38.1176.2-26.335.1000113.6N91 Q92 L93P89-N91 VanDerWaalsContact C-N 3.31Å; P89-N91 PolarHBondContact O-N 3.03Å; P89-Q92 PolarHBondContact O-N 3.08Å; P89-L93 PolarHBondContact O-N 3.02Å
90E97Very high82.9Confident39 Ų3968.6 Ų68.618%0.18236%0.363CS..Hα-helixtrans-60.5-41.7177.5-60.790.1152.100111Q88 L93 G94 F121 L124 A125Q88-E90 PolarHBondContact O-N 3.41Å; E90-L93 PolarHBondContact O-N 3.05Å; E90-G94 PolarHBondContact O-N 2.84Å; E90-F121 HydrophobicContact CB-CD1 4.25Å; E90-F121 WeakPolarHBondContact O-CB 3.37Å; E90-L124 HydrophobicContact CB-CB 4.24Å; E90-L124 HydrophobicContact CG-CB 4.27Å; E90-A125 HydrophobicContact CB-CB 4.16Å
91N96Very high85.8Confident42 Ų4261.9 Ų61.923%0.22533%0.334CS..Hα-helixtrans-67.4-40.6176.6-175.377.4000111.4Q88 P89 L93 G94 E95 A125Q88-N91 WeakPolarHBondContact O-CB 3.47Å; Q88-N91 PolarHBondContact O-N 3.34Å; P89-N91 VanDerWaalsContact C-N 3.31Å; P89-N91 PolarHBondContact O-N 3.03Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-G94 PolarHBondContact O-N 3.12Å; N91-E95 WeakPolarHBondContact O-CG 3.3Å; N91-E95 PolarHBondContact O-N 2.87Å; N91-A125 HydrophobicContact CB-CB 3.63Å
92Q96.1Very high88.5Confident93 Ų9364 Ų6444%0.43533%0.325SS..Hα-helixtrans-63-42.6178.1-67.2175.1-47.100111.5P87 Q88 P89 C96P87-Q92 HydrophobicContact CB-CG 4.11Å; Q88-Q92 PolarHBondContact O-N 2.92Å; Q88-Q92 VanDerWaalsContact O-N 3.12Å; P89-Q92 PolarHBondContact O-N 3.08Å; Q92-C96 PolarHBondContact O-N 3.25Å; Q92-C96 VanDerWaalsContact O-N 3.15Å
93L98.3Very high90.8Very high78 Ų7860.7 Ų60.741%0.40832%0.316SS..Hα-helixtrans-62.6-44.2173.3-178.657.3000111.3P89 E90 N91 C96 M97 F121P89-L93 PolarHBondContact O-N 3.02Å; E90-L93 PolarHBondContact O-N 3.05Å; N91-L93 VanDerWaalsContact C-N 3.34Å; L93-C96 WeakPolarHBondContact O-CB 3.43Å; L93-C96 PolarHBondContact O-N 2.91Å; L93-M97 HydrophobicContact CD1-CE 3.87Å; L93-M97 HydrophobicContact CD2-CE 4.13Å; L93-M97 HydrophobicContact CG-CE 3.84Å; L93-M97 HydrophobicContact CG-SD 4.44Å; L93-M97 WeakPolarHBondContact O-CG 3.38Å; L93-M97 PolarHBondContact O-N 3.33Å; L93-F121 HydrophobicContact CB-CD1 4.42Å; L93-F121 HydrophobicContact CD2-CD1 3.77Å; L93-F121 HydrophobicContact CD2-CE1 3.46Å; L93-F121 VanDerWaalsContact CD2-CE1 3.46Å; L93-F121 HydrophobicContact CD2-CZ 3.97Å; L93-F121 HydrophobicContact CG-CD1 4.25Å; L93-F121 HydrophobicContact CG-CE1 4.39Å
94G98.4Very high93.2Very high0 Ų060.5 Ų60.50%031%0.309CS..Hα-helixtrans-61.6-45.3178.900000113.5E90 N91 C96 M97 I98 G118E90-G94 PolarHBondContact O-N 2.84Å; N91-G94 PolarHBondContact O-N 3.12Å; G94-C96 VanDerWaalsContact C-N 3.32Å; G94-C96 PolarHBondContact O-N 3.33Å; G94-M97 PolarHBondContact O-N 2.99Å; G94-I98 WeakPolarHBondContact O-CG1 3.37Å; G94-I98 PolarHBondContact O-N 3.11Å; G94-G118 WeakPolarHBondContact CA-O 3.39Å; G94-G118 WeakPolarHBondContact O-CA 3.46Å
95E98.2Very high95Very high86 Ų8658.6 Ų58.640%0.40230%0.302SS..Hα-helixtrans-61.7-38.7175.7-72.2-66.9143.700112N91 I98 K99 K122N91-E95 WeakPolarHBondContact O-CG 3.3Å; N91-E95 PolarHBondContact O-N 2.87Å; E95-I98 PolarHBondContact O-N 3.39Å; E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 PolarHBondContact O-N 3.18Å; E95-K122 WeakPolarHBondContact OE1-CD 3.49Å; E95-K122 VanDerWaalsContact OE1-CE 3.28Å; E95-K122 WeakPolarHBondContact OE1-CE 3.44Å; E95-K122 IonicContact OE1-NZ 2.8Å; E95-K122 PolarHBondContact OE1-NZ 3.47Å
96C98.5Very high96.2Very high58 Ų5861.3 Ų61.339%0.39232%0.315SS..Hα-helixtrans-61.8-49.3174.5-175.20000111.6Q92 L93 G94 I98 K99 Y100Q92-C96 PolarHBondContact O-N 3.25Å; Q92-C96 VanDerWaalsContact O-N 3.15Å; L93-C96 WeakPolarHBondContact O-CB 3.43Å; L93-C96 PolarHBondContact O-N 2.91Å; G94-C96 VanDerWaalsContact C-N 3.32Å; G94-C96 PolarHBondContact O-N 3.33Å; C96-I98 PolarHBondContact O-N 2.95Å; C96-K99 PolarHBondContact O-N 3.09Å; C96-Y100 VanDerWaalsContact O-CD2 3.31Å; C96-Y100 WeakPolarHBondContact O-CD2 3.36Å; C96-Y100 PolarHBondContact O-N 3.24Å; C96-Y100 VanDerWaalsContact O-N 3.13Å
97M98.7Very high96.6Very high41 Ų4168.4 Ų68.420%0.20235%0.353CS..Hα-helixtrans-60.9-43.6177.8-67.9177.7172.700112L93 G94 G101 L114 A117 F121L93-M97 HydrophobicContact CD1-CE 3.87Å; L93-M97 HydrophobicContact CD2-CE 4.13Å; L93-M97 HydrophobicContact CG-CE 3.84Å; L93-M97 HydrophobicContact CG-SD 4.44Å; L93-M97 WeakPolarHBondContact O-CG 3.38Å; L93-M97 PolarHBondContact O-N 3.33Å; G94-M97 PolarHBondContact O-N 2.99Å; M97-G101 WeakPolarHBondContact O-CA 3.23Å; M97-G101 PolarHBondContact O-N 3.43Å; M97-L114 HydrophobicContact CB-CD2 4.31Å; M97-L114 WeakPolarHBondContact CB-O 3.41Å; M97-L114 HydrophobicContact CG-CD2 4.18Å; M97-A117 HydrophobicContact SD-CB 3.81Å; M97-F121 HydrophobicContact CE-CE2 4.34Å; M97-F121 HydrophobicContact SD-CD2 4.25Å
98I98.6Very high96.8Very high3 Ų367.9 Ų67.92%0.01535%0.35CS..Hα-helixtrans-62.1-47177.6-71.7161.6000111.1G94 E95 C96 G101 R102 E119 K122G94-I98 WeakPolarHBondContact O-CG1 3.37Å; G94-I98 PolarHBondContact O-N 3.11Å; E95-I98 PolarHBondContact O-N 3.39Å; C96-I98 PolarHBondContact O-N 2.95Å; I98-G101 PolarHBondContact O-N 2.98Å; I98-R102 WeakPolarHBondContact O-CB 3.43Å; I98-R102 VanDerWaalsContact O-CG 3.28Å; I98-R102 WeakPolarHBondContact O-CG 3.29Å; I98-R102 PolarHBondContact O-N 3.27Å; I98-E119 HydrophobicContact CD1-CG 4.1Å; I98-E119 HydrophobicContact CG1-CG 4.44Å; I98-K122 HydrophobicContact CD1-CD 3.52Å; I98-K122 HydrophobicContact CD1-CG 4.44Å
99K98.5Very high96.8Very high113 Ų11369.7 Ų69.749%0.49136%0.357SS..Hα-helixtrans-56.3-59.7-179.5178.9-170.5172.9-167.40110.8E95 C96 G101 R102 D103E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 PolarHBondContact O-N 3.18Å; C96-K99 PolarHBondContact O-N 3.09Å; K99-G101 VanDerWaalsContact C-N 3.33Å; K99-G101 PolarHBondContact O-N 3.26Å; K99-R102 PolarHBondContact O-N 3.07Å; K99-D103 PolarHBondContact O-N 3.41Å; K99-D103 VanDerWaalsContact O-N 3.1Å
100Y98.5Very high96.9Very high124 Ų12473.4 Ų73.449%0.48636%0.363SS..Hα-helixtrans-71.8-28.9-176.6-68.7-67.9000112.8C96 R102 D103 L104C96-Y100 VanDerWaalsContact O-CD2 3.31Å; C96-Y100 WeakPolarHBondContact O-CD2 3.36Å; C96-Y100 PolarHBondContact O-N 3.24Å; C96-Y100 VanDerWaalsContact O-N 3.13Å; Y100-R102 VanDerWaalsContact C-N 3.31Å; Y100-R102 PolarHBondContact O-N 3.45Å; Y100-D103 PolarHBondContact O-N 2.9Å; Y100-L104 WeakPolarHBondContact O-CG 3.44Å; Y100-L104 PolarHBondContact O-N 3.16Å; Y100-L104 VanDerWaalsContact O-N 3.09Å
101G98.5Very high97Very high1 Ų171.6 Ų71.61%0.0136%0.355CS..Hα-helixtrans-62.1-38.5172.500000112.5M97 I98 K99 G111M97-G101 WeakPolarHBondContact O-CA 3.23Å; M97-G101 PolarHBondContact O-N 3.43Å; I98-G101 PolarHBondContact O-N 2.98Å; K99-G101 VanDerWaalsContact C-N 3.33Å; K99-G101 PolarHBondContact O-N 3.26Å; G101-G111 WeakPolarHBondContact O-CA 3.45Å
102R98.2Very high97Very high157 Ų15772.3 Ų72.359%0.59236%0.357SS*.Hα-helixtrans-70.3-40.1173.3-72.1172.7-178.3166.66112.3I98 K99 Y100 L104 G105 V115I98-R102 WeakPolarHBondContact O-CB 3.43Å; I98-R102 VanDerWaalsContact O-CG 3.28Å; I98-R102 WeakPolarHBondContact O-CG 3.29Å; I98-R102 PolarHBondContact O-N 3.27Å; K99-R102 PolarHBondContact O-N 3.07Å; Y100-R102 VanDerWaalsContact C-N 3.31Å; Y100-R102 PolarHBondContact O-N 3.45Å; R102-L104 VanDerWaalsContact C-N 3.25Å; R102-L104 PolarHBondContact O-N 2.98Å; R102-G105 PolarHBondContact O-N 2.88Å; R102-V115 HydrophobicContact CG-CG2 4.06Å
103D98.2Very high97.1Very high113 Ų11369 Ų6960%0.60434%0.343SS*.Hα-helixtrans-62.7-31.6178.6-67.9-17.8000112.5K99 Y100 G105K99-D103 PolarHBondContact O-N 3.41Å; K99-D103 VanDerWaalsContact O-N 3.1Å; Y100-D103 PolarHBondContact O-N 2.9Å; D103-G105 PolarHBondContact O-N 3.07Å
104L97.4Very high97.2Very high87 Ų8766.3 Ų66.346%0.45533%0.33SS..THydrogen-bonded Turntrans-68-14.4173.1-73.7171.3000113.9Y100 R102 Y110 L114Y100-L104 WeakPolarHBondContact O-CG 3.44Å; Y100-L104 PolarHBondContact O-N 3.16Å; Y100-L104 VanDerWaalsContact O-N 3.09Å; R102-L104 VanDerWaalsContact C-N 3.25Å; R102-L104 PolarHBondContact O-N 2.98Å; L104-Y110 HydrophobicContact CD1-CD1 3.7Å; L104-Y110 HydrophobicContact CD1-CE1 4.32Å; L104-Y110 HydrophobicContact CD1-CG 4.46Å; L104-L114 HydrophobicContact CD1-CD1 3.88Å
105G93.2Very high97.2Very high23 Ų2368.1 Ų68.124%0.23734%0.341CS..  trans81160.9179.700000114.4R102 D103 D107 S108R102-G105 PolarHBondContact O-N 2.88Å; D103-G105 PolarHBondContact O-N 3.07Å; G105-D107 PolarHBondContact O-N 3.38Å; G105-S108 PolarHBondContact O-N 2.94Å
106P93.6Very high97.2Very high105 Ų10567.9 Ų67.968%0.68234%0.339SS*.THydrogen-bonded Turntrans-68.3-20.2-172.828.5-36.1000113.5S108 Q112P106-S108 VanDerWaalsContact C-N 3.31Å; P106-Q112 PolarHBondContact O-NE2 3.42Å
107D92.6Very high97.2Very high154 Ų15465.6 Ų65.682%0.82433%0.325SS*.THydrogen-bonded Turntrans-79.7-15.5179.6-66.3-36.7000113.1G105 Y109G105-D107 PolarHBondContact O-N 3.38Å; D107-Y109 PolarHBondContact O-N 3.35Å
108S94.5Very high97.2Very high32 Ų3263.7 Ų63.722%0.22432%0.315CS..  trans-78.6116.4177.9-179.60000110.4G105 P106 Y110 G111 Q112G105-S108 PolarHBondContact O-N 2.94Å; P106-S108 VanDerWaalsContact C-N 3.31Å; S108-Y110 PolarHBondContact O-N 3.13Å; S108-Y110 PolarHBondContact OG-N 3.04Å; S108-G111 PolarHBondContact O-N 3.46Å; S108-G111 VanDerWaalsContact O-N 3.1Å; S108-G111 PolarHBondContact OG-N 3.16Å; S108-Q112 WeakPolarHBondContact O-CG 3.48Å; S108-Q112 PolarHBondContact O-N 3.4Å
109Y95Very high97.2Very high40 Ų4067 Ų6716%0.15733%0.331CS..Hα-helixtrans-55.5-41.2170.7-82.3-74.6000112.2D107 Q112 C113 K249 E252 K256D107-Y109 PolarHBondContact O-N 3.35Å; Y109-Q112 PolarHBondContact O-N 3.04Å; Y109-C113 WeakPolarHBondContact O-CB 3.48Å; Y109-C113 PolarHBondContact O-N 2.96Å; Y109-C113 PolarHBondContact O-SG 3.01Å; Y109-K249 HydrophobicContact CD1-CD 4.15Å; Y109-K249 HydrophobicContact CE1-CD 4.37Å; Y109-E252 HydrophobicContact CE1-CB 4.08Å; Y109-E252 HydrophobicContact CE1-CG 4.07Å; Y109-E252 WeakPolarHBondContact CE1-OE1 3.37Å; Y109-E252 PolarHBondContact OH-OE1 2.94Å; Y109-K256 HydrophobicContact CE2-CD 3.87Å; Y109-K256 WeakPolarHBondContact OH-CD 3.43Å; Y109-K256 WeakPolarHBondContact OH-CE 3.5Å; Y109-K256 PolarHBondContact OH-NZ 2.68Å
110Y97.3Very high97.2Very high152 Ų15262.2 Ų62.260%0.59631%0.311SS*.Hα-helixtrans-67.1-39.9177.5-174.8-132.4000111.3L104 S108 C113 L114L104-Y110 HydrophobicContact CD1-CD1 3.7Å; L104-Y110 HydrophobicContact CD1-CE1 4.32Å; L104-Y110 HydrophobicContact CD1-CG 4.46Å; S108-Y110 PolarHBondContact O-N 3.13Å; S108-Y110 PolarHBondContact OG-N 3.04Å; Y110-C113 PolarHBondContact O-N 3.15Å; Y110-L114 HydrophobicContact CD1-CD1 3.95Å; Y110-L114 HydrophobicContact CD2-CD1 4.44Å; Y110-L114 HydrophobicContact CD2-CG 4.2Å; Y110-L114 HydrophobicContact CE1-CD1 3.63Å; Y110-L114 HydrophobicContact CE1-CG 4.28Å; Y110-L114 HydrophobicContact CE2-CD1 4.14Å; Y110-L114 HydrophobicContact CE2-CD2 4.04Å; Y110-L114 HydrophobicContact CE2-CG 3.87Å; Y110-L114 HydrophobicContact CG-CD1 4.35Å; Y110-L114 WeakPolarHBondContact O-CB 3.41Å; Y110-L114 WeakPolarHBondContact O-CG 3.34Å; Y110-L114 PolarHBondContact O-N 3.39Å
111G97.8Very high97.2Very high1 Ų158.2 Ų58.21%0.0130%0.296CS..Hα-helixtrans-58.8-47.8173.500000112.5G101 S108 C113 L114 V115G101-G111 WeakPolarHBondContact O-CA 3.45Å; S108-G111 PolarHBondContact O-N 3.46Å; S108-G111 VanDerWaalsContact O-N 3.1Å; S108-G111 PolarHBondContact OG-N 3.16Å; G111-C113 VanDerWaalsContact C-N 3.34Å; G111-C113 PolarHBondContact O-N 2.76Å; G111-L114 PolarHBondContact O-N 3.04Å; G111-V115 WeakPolarHBondContact O-CG2 3.46Å; G111-V115 PolarHBondContact O-N 2.9Å
112Q97.7Very high97.1Very high57 Ų5760.8 Ų60.827%0.26631%0.307SS..Hα-helixtrans-58.6-44.4174.3-66.6172.533.200112P106 S108 Y109 V115 E116P106-Q112 PolarHBondContact O-NE2 3.42Å; S108-Q112 WeakPolarHBondContact O-CG 3.48Å; S108-Q112 PolarHBondContact O-N 3.4Å; Y109-Q112 PolarHBondContact O-N 3.04Å; Q112-V115 PolarHBondContact O-N 3.37Å; Q112-E116 PolarHBondContact O-N 3.02Å; Q112-E116 VanDerWaalsContact O-N 3.08Å
113C98.4Very high97.1Very high23 Ų2356.2 Ų56.216%0.15530%0.298CS..Hα-helixtrans-64.6-40.2178.1-67.30000112.6Y109 Y110 G111 A117 L246Y109-C113 WeakPolarHBondContact O-CB 3.48Å; Y109-C113 PolarHBondContact O-N 2.96Å; Y109-C113 PolarHBondContact O-SG 3.01Å; Y110-C113 PolarHBondContact O-N 3.15Å; G111-C113 VanDerWaalsContact C-N 3.34Å; G111-C113 PolarHBondContact O-N 2.76Å; C113-A117 VanDerWaalsContact O-CB 3.23Å; C113-A117 WeakPolarHBondContact O-CB 3.4Å; C113-A117 PolarHBondContact O-N 2.99Å; C113-L246 HydrophobicContact CB-CD2 3.61Å
114L98.6Very high97.1Very high23 Ų2351.4 Ų51.412%0.1227%0.273CS..Hα-helixtrans-65.4-41.7176.4-77172.9000111.7M97 L104 Y110 G111 A117 G118M97-L114 HydrophobicContact CB-CD2 4.31Å; M97-L114 WeakPolarHBondContact CB-O 3.41Å; M97-L114 HydrophobicContact CG-CD2 4.18Å; L104-L114 HydrophobicContact CD1-CD1 3.88Å; Y110-L114 HydrophobicContact CD1-CD1 3.95Å; Y110-L114 HydrophobicContact CD2-CD1 4.44Å; Y110-L114 HydrophobicContact CD2-CG 4.2Å; Y110-L114 HydrophobicContact CE1-CD1 3.63Å; Y110-L114 HydrophobicContact CE1-CG 4.28Å; Y110-L114 HydrophobicContact CE2-CD1 4.14Å; Y110-L114 HydrophobicContact CE2-CD2 4.04Å; Y110-L114 HydrophobicContact CE2-CG 3.87Å; Y110-L114 HydrophobicContact CG-CD1 4.35Å; Y110-L114 WeakPolarHBondContact O-CB 3.41Å; Y110-L114 WeakPolarHBondContact O-CG 3.34Å; Y110-L114 PolarHBondContact O-N 3.39Å; G111-L114 PolarHBondContact O-N 3.04Å; L114-A117 PolarHBondContact O-N 3.49Å; L114-G118 PolarHBondContact O-N 2.92Å
115V98.5Very high97Very high38 Ų3847.3 Ų47.323%0.2325%0.251CS..Hα-helixtrans-62.1-48.1176.5173.40000110.7R102 G111 Q112 G118 E119R102-V115 HydrophobicContact CG-CG2 4.06Å; G111-V115 WeakPolarHBondContact O-CG2 3.46Å; G111-V115 PolarHBondContact O-N 2.9Å; Q112-V115 PolarHBondContact O-N 3.37Å; V115-G118 PolarHBondContact O-N 2.84Å; V115-E119 WeakPolarHBondContact O-CG 3.47Å; V115-E119 PolarHBondContact O-N 3.4Å
116E98.4Very high97.1Very high80 Ų8050.7 Ų50.737%0.37426%0.264SS..Hα-helixtrans-64.1-43.5179.1-169.368.4-163.200112.3Q112 G118 E119 T120 L242 F245Q112-E116 PolarHBondContact O-N 3.02Å; Q112-E116 VanDerWaalsContact O-N 3.08Å; E116-G118 VanDerWaalsContact C-N 3.3Å; E116-G118 PolarHBondContact O-N 3.42Å; E116-E119 PolarHBondContact O-N 3.25Å; E116-T120 WeakPolarHBondContact O-CB 3.31Å; E116-T120 PolarHBondContact O-N 3.24Å; E116-T120 PolarHBondContact O-OG1 2.93Å; E116-L242 HydrophobicContact CG-CD1 4.28Å; E116-F245 HydrophobicContact CB-CD1 3.89Å; E116-F245 HydrophobicContact CB-CE1 3.41Å; E116-F245 VanDerWaalsContact CB-CE1 3.41Å; E116-F245 HydrophobicContact CB-CE2 4.38Å; E116-F245 HydrophobicContact CB-CZ 3.69Å; E116-F245 HydrophobicContact CG-CD1 3.59Å; E116-F245 HydrophobicContact CG-CD2 4Å; E116-F245 HydrophobicContact CG-CE1 3.58Å; E116-F245 HydrophobicContact CG-CE2 3.97Å; E116-F245 HydrophobicContact CG-CG 3.8Å; E116-F245 HydrophobicContact CG-CZ 3.76Å
117A98.7Very high97.3Very high11 Ų1146.5 Ų46.59%0.09124%0.236CC..Hα-helixtrans-59.2-44.9174.300000110.5M97 C113 L114 E119 T120 F121 L242M97-A117 HydrophobicContact SD-CB 3.81Å; C113-A117 VanDerWaalsContact O-CB 3.23Å; C113-A117 WeakPolarHBondContact O-CB 3.4Å; C113-A117 PolarHBondContact O-N 2.99Å; L114-A117 PolarHBondContact O-N 3.49Å; A117-E119 PolarHBondContact O-N 3.29Å; A117-T120 VanDerWaalsContact O-CB 3.29Å; A117-T120 WeakPolarHBondContact O-CB 3.48Å; A117-T120 PolarHBondContact O-N 3.25Å; A117-T120 VanDerWaalsContact O-N 3.16Å; A117-F121 VanDerWaalsContact O-CD2 3.3Å; A117-F121 WeakPolarHBondContact O-CD2 3.4Å; A117-F121 PolarHBondContact O-N 3.29Å; A117-L242 HydrophobicContact CB-CD1 4.05Å; A117-L242 HydrophobicContact CB-CD2 4.09Å
118G98.6Very high97.4Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-65.4-40-179.100000113.6G94 L114 V115 E116 T120 F121 K122G94-G118 WeakPolarHBondContact CA-O 3.39Å; G94-G118 WeakPolarHBondContact O-CA 3.46Å; L114-G118 PolarHBondContact O-N 2.92Å; V115-G118 PolarHBondContact O-N 2.84Å; E116-G118 VanDerWaalsContact C-N 3.3Å; E116-G118 PolarHBondContact O-N 3.42Å; G118-T120 VanDerWaalsContact C-N 3.32Å; G118-T120 PolarHBondContact O-N 2.96Å; G118-F121 PolarHBondContact O-N 2.68Å; G118-K122 WeakPolarHBondContact O-CG 3.4Å; G118-K122 PolarHBondContact O-N 2.93Å
119E98.4Very high97.3Very high72 Ų7240 Ų4034%0.33620%0.196SC..Hα-helixtrans-63.6-38.5172.4-65.6-65.217400111.5I98 V115 E116 A117 F121 K122 C123I98-E119 HydrophobicContact CD1-CG 4.1Å; I98-E119 HydrophobicContact CG1-CG 4.44Å; V115-E119 WeakPolarHBondContact O-CG 3.47Å; V115-E119 PolarHBondContact O-N 3.4Å; E116-E119 PolarHBondContact O-N 3.25Å; A117-E119 PolarHBondContact O-N 3.29Å; E119-F121 PolarHBondContact O-N 3.48Å; E119-K122 WeakPolarHBondContact O-CB 3.5Å; E119-K122 PolarHBondContact O-N 3.26Å; E119-C123 PolarHBondContact O-N 3.5Å; E119-C123 VanDerWaalsContact O-N 3.07Å
120T98.6Very high97.3Very high13 Ų1342.3 Ų42.38%0.0821%0.214CC..Hα-helixtrans-59.9-44.8173.4-570000111.6E116 A117 G118 K122 C123 L124 I238 L242E116-T120 WeakPolarHBondContact O-CB 3.31Å; E116-T120 PolarHBondContact O-N 3.24Å; E116-T120 PolarHBondContact O-OG1 2.93Å; A117-T120 VanDerWaalsContact O-CB 3.29Å; A117-T120 WeakPolarHBondContact O-CB 3.48Å; A117-T120 PolarHBondContact O-N 3.25Å; A117-T120 VanDerWaalsContact O-N 3.16Å; G118-T120 VanDerWaalsContact C-N 3.32Å; G118-T120 PolarHBondContact O-N 2.96Å; T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 2.92Å; T120-C123 WeakPolarHBondContact O-CA 3.1Å; T120-C123 VanDerWaalsContact O-CB 3.29Å; T120-C123 WeakPolarHBondContact O-CB 3.31Å; T120-C123 PolarHBondContact O-N 3.39Å; T120-L124 PolarHBondContact O-N 2.96Å; T120-I238 HydrophobicContact CG2-CG2 3.34Å; T120-L242 HydrophobicContact CG2-CB 3.77Å; T120-L242 HydrophobicContact CG2-CD2 3.86Å; T120-L242 HydrophobicContact CG2-CG 4.33Å
121F98.5Very high97.2Very high40 Ų4035.3 Ų35.318%0.17519%0.187CC..Hα-helixtrans-66.9-29.3178.4-91.5-95.6000112.7E90 L93 M97 A117 G118 E119 L124 A125E90-F121 HydrophobicContact CB-CD1 4.25Å; E90-F121 WeakPolarHBondContact O-CB 3.37Å; L93-F121 HydrophobicContact CB-CD1 4.42Å; L93-F121 HydrophobicContact CD2-CD1 3.77Å; L93-F121 HydrophobicContact CD2-CE1 3.46Å; L93-F121 VanDerWaalsContact CD2-CE1 3.46Å; L93-F121 HydrophobicContact CD2-CZ 3.97Å; L93-F121 HydrophobicContact CG-CD1 4.25Å; L93-F121 HydrophobicContact CG-CE1 4.39Å; M97-F121 HydrophobicContact CE-CE2 4.34Å; M97-F121 HydrophobicContact SD-CD2 4.25Å; A117-F121 VanDerWaalsContact O-CD2 3.3Å; A117-F121 WeakPolarHBondContact O-CD2 3.4Å; A117-F121 PolarHBondContact O-N 3.29Å; G118-F121 PolarHBondContact O-N 2.68Å; E119-F121 PolarHBondContact O-N 3.48Å; F121-L124 HydrophobicContact CD1-CD1 4.12Å; F121-L124 HydrophobicContact CE1-CD1 4.26Å; F121-L124 HydrophobicContact CG-CD1 4.33Å; F121-L124 WeakPolarHBondContact O-CB 3.37Å; F121-L124 PolarHBondContact O-N 3.28Å; F121-A125 PolarHBondContact O-N 3.41Å
122K97.7Very high97Very high56 Ų5635.5 Ų35.524%0.24319%0.187CC..Hα-helixtrans-66.6-38168.5-66.7176.663.7162.80112.1E95 I98 G118 E119 T120 A125 N126E95-K122 WeakPolarHBondContact OE1-CD 3.49Å; E95-K122 VanDerWaalsContact OE1-CE 3.28Å; E95-K122 WeakPolarHBondContact OE1-CE 3.44Å; E95-K122 IonicContact OE1-NZ 2.8Å; E95-K122 PolarHBondContact OE1-NZ 3.47Å; I98-K122 HydrophobicContact CD1-CD 3.52Å; I98-K122 HydrophobicContact CD1-CG 4.44Å; G118-K122 WeakPolarHBondContact O-CG 3.4Å; G118-K122 PolarHBondContact O-N 2.93Å; E119-K122 WeakPolarHBondContact O-CB 3.5Å; E119-K122 PolarHBondContact O-N 3.26Å; T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 2.92Å; K122-A125 WeakPolarHBondContact O-CB 3.43Å; K122-A125 PolarHBondContact O-N 3.33Å; K122-N126 PolarHBondContact O-N 2.98Å; K122-N126 VanDerWaalsContact O-N 3.13Å; K122-N126 PolarHBondContact O-ND2 3.12Å
123C97.4Very high96.7Very high60 Ų6037.3 Ų37.341%0.40520%0.195SC..Hα-helixtrans-62.4-41.1171.4-66.20000112E119 T120 A125 N126 I127 I238E119-C123 PolarHBondContact O-N 3.5Å; E119-C123 VanDerWaalsContact O-N 3.07Å; T120-C123 WeakPolarHBondContact O-CA 3.1Å; T120-C123 VanDerWaalsContact O-CB 3.29Å; T120-C123 WeakPolarHBondContact O-CB 3.31Å; T120-C123 PolarHBondContact O-N 3.39Å; C123-A125 VanDerWaalsContact C-N 3.33Å; C123-A125 PolarHBondContact O-N 2.9Å; C123-N126 WeakPolarHBondContact O-CB 3.38Å; C123-N126 PolarHBondContact O-N 3.26Å; C123-I127 PolarHBondContact O-N 2.98Å; C123-I238 HydrophobicContact CB-CD1 4.17Å; C123-I238 HydrophobicContact CB-CG2 4.35Å
124L98.2Very high96.6Very high13 Ų1339.2 Ų39.27%0.06820%0.202CC..Hα-helixtrans-59.1-42.4173.8-69176.6000112.1E90 T120 F121 N126 I127 K128 A235 I238 M239E90-L124 HydrophobicContact CB-CB 4.24Å; E90-L124 HydrophobicContact CG-CB 4.27Å; T120-L124 PolarHBondContact O-N 2.96Å; F121-L124 HydrophobicContact CD1-CD1 4.12Å; F121-L124 HydrophobicContact CE1-CD1 4.26Å; F121-L124 HydrophobicContact CG-CD1 4.33Å; F121-L124 WeakPolarHBondContact O-CB 3.37Å; F121-L124 PolarHBondContact O-N 3.28Å; L124-N126 VanDerWaalsContact C-N 3.32Å; L124-N126 PolarHBondContact O-N 2.96Å; L124-I127 HydrophobicContact CD2-CD1 4.13Å; L124-I127 WeakPolarHBondContact O-CG1 3.29Å; L124-I127 PolarHBondContact O-N 3.31Å; L124-K128 WeakPolarHBondContact O-CB 3.45Å; L124-K128 PolarHBondContact O-N 3.03Å; L124-A235 HydrophobicContact CD2-CB 3.9Å; L124-I238 HydrophobicContact CD2-CB 4.18Å; L124-I238 HydrophobicContact CD2-CD1 4.32Å; L124-I238 HydrophobicContact CD2-CG2 3.9Å; L124-I238 HydrophobicContact CG-CG2 4.1Å; L124-M239 HydrophobicContact CD1-CG 4.38Å; L124-M239 HydrophobicContact CD1-SD 3.81Å; L124-M239 HydrophobicContact CD2-CG 4.44Å
125A96.4Very high96.5Very high0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-61-40175.200000112.5Q88 E90 N91 F121 K122 C123 K128 Y129Q88-A125 HydrophobicContact CB-CB 4.02Å; E90-A125 HydrophobicContact CB-CB 4.16Å; N91-A125 HydrophobicContact CB-CB 3.63Å; F121-A125 PolarHBondContact O-N 3.41Å; K122-A125 WeakPolarHBondContact O-CB 3.43Å; K122-A125 PolarHBondContact O-N 3.33Å; C123-A125 VanDerWaalsContact C-N 3.33Å; C123-A125 PolarHBondContact O-N 2.9Å; A125-K128 WeakPolarHBondContact O-CB 3.47Å; A125-K128 PolarHBondContact O-N 2.94Å; A125-Y129 HydrophobicContact CB-CE2 4.43Å; A125-Y129 WeakPolarHBondContact O-CD2 3.4Å; A125-Y129 PolarHBondContact O-N 2.93Å
126N94.7Very high96.2Very high94 Ų9437 Ų3750%0.50319%0.188SC..Hα-helixtrans-63.2-44.4178.8-70.1-28.1000112.6K122 C123 L124 K128 Y129 T130K122-N126 PolarHBondContact O-N 2.98Å; K122-N126 VanDerWaalsContact O-N 3.13Å; K122-N126 PolarHBondContact O-ND2 3.12Å; C123-N126 WeakPolarHBondContact O-CB 3.38Å; C123-N126 PolarHBondContact O-N 3.26Å; L124-N126 VanDerWaalsContact C-N 3.32Å; L124-N126 PolarHBondContact O-N 2.96Å; N126-K128 VanDerWaalsContact C-N 3.29Å; N126-K128 PolarHBondContact O-N 3.26Å; N126-Y129 PolarHBondContact O-N 2.95Å; N126-T130 PolarHBondContact O-N 3.12Å; N126-T130 VanDerWaalsContact O-N 3.12Å; N126-T130 PolarHBondContact O-OG1 3.03Å
127I96.5Very high95.9Very high18 Ų1838 Ų389%0.09219%0.193CC..Hα-helixtrans-69.4-29.917663.3163000111.6C123 L124 T130 M131 Y231 Q234 A235 I238C123-I127 PolarHBondContact O-N 2.98Å; L124-I127 HydrophobicContact CD2-CD1 4.13Å; L124-I127 WeakPolarHBondContact O-CG1 3.29Å; L124-I127 PolarHBondContact O-N 3.31Å; I127-T130 PolarHBondContact O-N 3.43Å; I127-M131 WeakPolarHBondContact O-CB 3.24Å; I127-M131 PolarHBondContact O-N 3.39Å; I127-Y231 HydrophobicContact CB-CD2 4.48Å; I127-Y231 HydrophobicContact CD1-CD2 3.93Å; I127-Y231 HydrophobicContact CD1-CE2 3.99Å; I127-Y231 HydrophobicContact CG1-CD2 4.04Å; I127-Y231 HydrophobicContact CG1-CE2 4Å; I127-Q234 HydrophobicContact CD1-CB 3.95Å; I127-Q234 HydrophobicContact CG2-CB 4.38Å; I127-A235 HydrophobicContact CD1-CB 3.76Å; I127-I238 HydrophobicContact CD1-CD1 3.91Å; I127-I238 HydrophobicContact CG1-CD1 4.37Å; I127-I238 HydrophobicContact CG2-CD1 4.1Å
128K95.8Very high95.8Very high21 Ų2140.1 Ų40.19%0.09120%0.203CC..Hα-helixtrans-63.4-45.9173.3-176.363.4165.684.30111.5L58 Q88 L124 A125 N126 T130 M131 E132 Y231L58-K128 PolarHBondContact O-NZ 3.18Å; Q88-K128 HydrophobicContact CG-CG 4.28Å; L124-K128 WeakPolarHBondContact O-CB 3.45Å; L124-K128 PolarHBondContact O-N 3.03Å; A125-K128 WeakPolarHBondContact O-CB 3.47Å; A125-K128 PolarHBondContact O-N 2.94Å; N126-K128 VanDerWaalsContact C-N 3.29Å; N126-K128 PolarHBondContact O-N 3.26Å; K128-T130 VanDerWaalsContact C-N 3.32Å; K128-T130 PolarHBondContact O-N 3.35Å; K128-M131 HydrophobicContact CD-CE 3.58Å; K128-M131 PolarHBondContact O-N 3.5Å; K128-E132 IonicContact NZ-OE1 3.89Å; K128-E132 PolarHBondContact NZ-OE1 3.19Å; K128-E132 WeakPolarHBondContact O-CG 3.26Å; K128-E132 PolarHBondContact O-N 2.74Å; K128-Y231 HydrophobicContact CB-CE2 4.06Å; K128-Y231 HydrophobicContact CD-CE2 3.97Å
129Y93Very high95.8Very high29 Ų2940.6 Ų40.611%0.11421%0.205CC..Hα-helixtrans-61.3-40.8174.4-67.7-59.8000112.4T84 Y86 Q88 A125 N126 E132 E133T84-Y129 VanDerWaalsContact CB-CE1 3.45Å; T84-Y129 HydrophobicContact CG2-CD1 3.39Å; T84-Y129 HydrophobicContact CG2-CD2 3.56Å; T84-Y129 HydrophobicContact CG2-CE1 3.72Å; T84-Y129 HydrophobicContact CG2-CE2 3.89Å; T84-Y129 HydrophobicContact CG2-CG 3.3Å; Y86-Y129 HydrophobicContact CE2-CE1 4.45Å; Y86-Y129 WeakPolarHBondContact O-CE1 3.36Å; Y86-Y129 PolarHBondContact O-OH 2.89Å; Q88-Y129 HydrophobicContact CG-CD1 3.86Å; Q88-Y129 HydrophobicContact CG-CD2 4.32Å; Q88-Y129 HydrophobicContact CG-CE1 3.32Å; Q88-Y129 HydrophobicContact CG-CE2 3.86Å; Q88-Y129 HydrophobicContact CG-CG 4.32Å; Q88-Y129 PolarHBondContact N-OH 3.43Å; Q88-Y129 VanDerWaalsContact N-OH 3.15Å; A125-Y129 HydrophobicContact CB-CE2 4.43Å; A125-Y129 WeakPolarHBondContact O-CD2 3.4Å; A125-Y129 PolarHBondContact O-N 2.93Å; N126-Y129 PolarHBondContact O-N 2.95Å; Y129-E132 PolarHBondContact O-N 2.91Å; Y129-E133 WeakPolarHBondContact O-CB 3.4Å; Y129-E133 PolarHBondContact O-N 2.92Å
130T93.7Very high95.7Very high87 Ų8737.4 Ų37.453%0.53419%0.19SC..Hα-helixtrans-62.9-43.8178.1-54.60000111.1N126 I127 K128 E133 H134N126-T130 PolarHBondContact O-N 3.12Å; N126-T130 VanDerWaalsContact O-N 3.12Å; N126-T130 PolarHBondContact O-OG1 3.03Å; I127-T130 PolarHBondContact O-N 3.43Å; K128-T130 VanDerWaalsContact C-N 3.32Å; K128-T130 PolarHBondContact O-N 3.35Å; T130-E133 PolarHBondContact O-N 3.34Å; T130-H134 PolarHBondContact O-N 2.9Å
131M96.2Very high95.4Very high6 Ų639.4 Ų39.43%0.0320%0.2CC..Hα-helixtrans-62.4-44.8175.4175-95.8-83.800111.9L58 I127 K128 E133 H134 V135 S227 Q228 Y231L58-M131 HydrophobicContact CD2-SD 3.62Å; I127-M131 WeakPolarHBondContact O-CB 3.24Å; I127-M131 PolarHBondContact O-N 3.39Å; K128-M131 HydrophobicContact CD-CE 3.58Å; K128-M131 PolarHBondContact O-N 3.5Å; M131-E133 PolarHBondContact O-N 3.27Å; M131-H134 PolarHBondContact O-N 3.27Å; M131-V135 HydrophobicContact CG-CG2 4.42Å; M131-V135 WeakPolarHBondContact O-CG2 3.38Å; M131-V135 PolarHBondContact O-N 3.41Å; M131-V135 HydrophobicContact SD-CG2 4.24Å; M131-S227 WeakPolarHBondContact CG-OG 3.43Å; M131-S227 PolarHBondContact O-OG 3.49Å; M131-Q228 PolarHBondContact SD-NE2 2.97Å; M131-Q228 VanDerWaalsContact SD-NE2 3.37Å; M131-Y231 HydrophobicContact CB-CD2 4.13Å; M131-Y231 HydrophobicContact CB-CG 4.15Å; M131-Y231 HydrophobicContact CE-CD1 3.65Å; M131-Y231 HydrophobicContact CE-CD2 4.11Å; M131-Y231 HydrophobicContact CE-CE1 3.89Å; M131-Y231 HydrophobicContact CE-CE2 4.33Å; M131-Y231 HydrophobicContact CE-CG 3.77Å; M131-Y231 HydrophobicContact CG-CG 4.12Å
132E94Very high95.3Very high4 Ų439.5 Ų39.52%0.01921%0.205CC..Hα-helixtrans-62.2-41.9177.6-76.6175.6-174.700112.9L58 Q59 Y86 Q88 K128 Y129 K136L58-E132 HydrophobicContact CB-CG 4.43Å; L58-E132 HydrophobicContact CD2-CG 4.19Å; Q59-E132 PolarHBondContact NE2-OE1 3.35Å; Y86-E132 PolarHBondContact OH-OE2 2.84Å; Q88-E132 PolarHBondContact NE2-OE1 3.31Å; Q88-E132 PolarHBondContact NE2-OE2 3.11Å; K128-E132 IonicContact NZ-OE1 3.89Å; K128-E132 PolarHBondContact NZ-OE1 3.19Å; K128-E132 WeakPolarHBondContact O-CG 3.26Å; K128-E132 PolarHBondContact O-N 2.74Å; Y129-E132 PolarHBondContact O-N 2.91Å; E132-K136 WeakPolarHBondContact O-CB 3.42Å; E132-K136 PolarHBondContact O-N 3.09Å
133E90.9Very high95.2Very high95 Ų9537.2 Ų37.244%0.44420%0.196SC..Hα-helixtrans-61.4-47.8175.6-172.1170.5-148.600110.5Y129 T130 M131 V135 K136 E137Y129-E133 WeakPolarHBondContact O-CB 3.4Å; Y129-E133 PolarHBondContact O-N 2.92Å; T130-E133 PolarHBondContact O-N 3.34Å; M131-E133 PolarHBondContact O-N 3.27Å; E133-V135 PolarHBondContact O-N 3.08Å; E133-K136 WeakPolarHBondContact O-CB 3.48Å; E133-K136 PolarHBondContact O-N 3.04Å; E133-E137 WeakPolarHBondContact O-CG 3.45Å; E133-E137 PolarHBondContact O-N 3.34Å
134H94.9Very high95.1Very high63 Ų6339 Ų3929%0.29220%0.198SC..Hα-helixtrans-63.1-44178.1-167.6100000112.8T130 M131 K136 E137 N138 E223T130-H134 PolarHBondContact O-N 2.9Å; M131-H134 PolarHBondContact O-N 3.27Å; H134-K136 VanDerWaalsContact C-N 3.3Å; H134-K136 PolarHBondContact O-N 3.41Å; H134-E137 PolarHBondContact O-N 2.95Å; H134-N138 PolarHBondContact CD2-ND2 3.24Å; H134-N138 PolarHBondContact CE1-ND2 3.15Å; H134-N138 VanDerWaalsContact CE1-ND2 3.3Å; H134-N138 PolarHBondContact ND1-ND2 2.93Å; H134-N138 PolarHBondContact NE2-ND2 3.06Å; H134-N138 WeakPolarHBondContact O-CB 3.38Å; H134-N138 PolarHBondContact O-N 3.39Å; H134-N138 PolarHBondContact O-ND2 3.3Å; H134-N138 VanDerWaalsContact O-ND2 3.16Å; H134-E223 IonicContact CE1-OE2 2.81Å; H134-E223 IonicContact NE2-OE2 3.9Å; H134-E223 PolarHBondContact NE2-OE2 3.16Å
135V96.7Very high94.9Very high0 Ų040.9 Ų40.90%021%0.212CC..Hα-helixtrans-64.1-38.9176.7172.80000110.6T54 L58 M131 E133 F139 L140 F224T54-V135 HydrophobicContact CG2-CG1 3.97Å; L58-V135 HydrophobicContact CD1-CB 4.16Å; L58-V135 HydrophobicContact CD1-CG1 3.74Å; L58-V135 HydrophobicContact CD2-CB 4.44Å; L58-V135 HydrophobicContact CD2-CG1 4.36Å; L58-V135 HydrophobicContact CD2-CG2 4.44Å; L58-V135 HydrophobicContact CG-CG1 4.47Å; M131-V135 HydrophobicContact CG-CG2 4.42Å; M131-V135 WeakPolarHBondContact O-CG2 3.38Å; M131-V135 PolarHBondContact O-N 3.41Å; M131-V135 HydrophobicContact SD-CG2 4.24Å; E133-V135 PolarHBondContact O-N 3.08Å; V135-F139 HydrophobicContact CG1-CB 4.35Å; V135-F139 HydrophobicContact CG1-CD1 4.1Å; V135-F139 WeakPolarHBondContact O-CA 3.4Å; V135-F139 VanDerWaalsContact O-CB 3.3Å; V135-F139 WeakPolarHBondContact O-CB 3.2Å; V135-F139 PolarHBondContact O-N 3.44Å; V135-F139 VanDerWaalsContact O-N 3.08Å; V135-L140 HydrophobicContact CG1-CD1 4.41Å; V135-L140 HydrophobicContact CG1-CG 4.33Å; V135-L140 PolarHBondContact O-N 3.49Å; V135-F224 HydrophobicContact CB-CD2 4.48Å; V135-F224 HydrophobicContact CG1-CD2 3.74Å; V135-F224 HydrophobicContact CG1-CE2 4.06Å; V135-F224 HydrophobicContact CG2-CD2 3.88Å; V135-F224 HydrophobicContact CG2-CE2 4.24Å
136K92.9Very high94.9Very high14 Ų1441.6 Ų41.66%0.06122%0.216CC..Iπ-helixtrans-62.8-51.8177.6-176.4177.6174.667.20111.4L68 N72 E132 E133 H134 L140 D141L68-K136 HydrophobicContact CD1-CD 4.18Å; L68-K136 PolarHBondContact O-NZ 3.37Å; N72-K136 WeakPolarHBondContact ND2-CE 3.5Å; N72-K136 WeakPolarHBondContact OD1-CE 3.45Å; E132-K136 WeakPolarHBondContact O-CB 3.42Å; E132-K136 PolarHBondContact O-N 3.09Å; E133-K136 WeakPolarHBondContact O-CB 3.48Å; E133-K136 PolarHBondContact O-N 3.04Å; H134-K136 VanDerWaalsContact C-N 3.3Å; H134-K136 PolarHBondContact O-N 3.41Å; K136-L140 PolarHBondContact O-N 2.85Å; K136-D141 WeakPolarHBondContact O-CB 3.28Å; K136-D141 VanDerWaalsContact O-CG 3.28Å; K136-D141 PolarHBondContact O-N 3.32Å
137E92.7Very high94.9Very high102 Ų10239.2 Ų39.248%0.47720%0.202SC..Iπ-helixtrans-73.1-37.7-174.2-68.6-174.5163.200113.5E133 H134 P142E133-E137 WeakPolarHBondContact O-CG 3.45Å; E133-E137 PolarHBondContact O-N 3.34Å; H134-E137 PolarHBondContact O-N 2.95Å; E137-P142 VanDerWaalsContact O-CD 3.29Å; E137-P142 WeakPolarHBondContact O-CD 3.29Å
138N96.5Very high94.8Very high56 Ų5640.8 Ų40.830%0.29921%0.212SC..Iπ-helixtrans-106.8-6.9-169.2-57.8-64.9000114.2H134 E223H134-N138 PolarHBondContact CD2-ND2 3.24Å; H134-N138 PolarHBondContact CE1-ND2 3.15Å; H134-N138 VanDerWaalsContact CE1-ND2 3.3Å; H134-N138 PolarHBondContact ND1-ND2 2.93Å; H134-N138 PolarHBondContact NE2-ND2 3.06Å; H134-N138 WeakPolarHBondContact O-CB 3.38Å; H134-N138 PolarHBondContact O-N 3.39Å; H134-N138 PolarHBondContact O-ND2 3.3Å; H134-N138 VanDerWaalsContact O-ND2 3.16Å; N138-E223 HydrophobicContact CB-CB 3.79Å; N138-E223 HydrophobicContact CB-CG 3.97Å
139F97.8Very high94.7Very high10 Ų1045.6 Ų45.64%0.04424%0.235CC..Iπ-helixtrans-127.1-58176.4179.3-120000112.6V50 T54 V135 P142 L143 S220 F224V50-F139 HydrophobicContact CG1-CE1 4.08Å; V50-F139 HydrophobicContact CG1-CZ 3.62Å; T54-F139 HydrophobicContact CG2-CD1 4.09Å; T54-F139 HydrophobicContact CG2-CE1 3.98Å; V135-F139 HydrophobicContact CG1-CB 4.35Å; V135-F139 HydrophobicContact CG1-CD1 4.1Å; V135-F139 WeakPolarHBondContact O-CA 3.4Å; V135-F139 VanDerWaalsContact O-CB 3.3Å; V135-F139 WeakPolarHBondContact O-CB 3.2Å; V135-F139 PolarHBondContact O-N 3.44Å; V135-F139 VanDerWaalsContact O-N 3.08Å; F139-P142 WeakPolarHBondContact O-CD 3.31Å; F139-L143 HydrophobicContact CD2-CD1 4.05Å; F139-L143 HydrophobicContact CD2-CG 4.5Å; F139-L143 HydrophobicContact CE1-CD1 4.33Å; F139-L143 HydrophobicContact CE2-CD1 3.63Å; F139-L143 HydrophobicContact CE2-CG 4.44Å; F139-L143 HydrophobicContact CZ-CD1 3.79Å; F139-L143 VanDerWaalsContact O-CG 3.31Å; F139-L143 WeakPolarHBondContact O-CG 3.36Å; F139-L143 PolarHBondContact O-N 3.09Å; F139-S220 WeakPolarHBondContact CD2-O 3.46Å; F139-F224 HydrophobicContact CB-CB 4.05Å; F139-F224 HydrophobicContact CD1-CB 3.96Å; F139-F224 AromaticContact CD1-CD2 3.76Å; F139-F224 HydrophobicContact CD1-CD2 3.76Å; F139-F224 AromaticContact CD1-CG 3.99Å; F139-F224 HydrophobicContact CD1-CG 3.99Å; F139-F224 HydrophobicContact CD2-CB 3.86Å; F139-F224 HydrophobicContact CE1-CB 4.31Å; F139-F224 HydrophobicContact CE1-CD2 4.02Å; F139-F224 HydrophobicContact CE1-CG 4.06Å; F139-F224 HydrophobicContact CE2-CB 4.22Å; F139-F224 HydrophobicContact CG-CB 3.71Å; F139-F224 HydrophobicContact CG-CD2 4.33Å; F139-F224 HydrophobicContact CG-CG 4.26Å; F139-F224 HydrophobicContact CZ-CB 4.42Å; F139-F224 HydrophobicContact CZ-CG 4.4Å
140L95.8Very high94.9Very high4 Ų447.6 Ų47.62%0.02125%0.246CC..Iπ-helixtrans-68.7-48.1-175.2-66.1173.9000113.1I51 T54 L58 V135 K136 L143 H144I51-L140 HydrophobicContact CB-CD2 4.5Å; I51-L140 HydrophobicContact CG1-CD2 4.4Å; I51-L140 HydrophobicContact CG2-CD2 4.35Å; T54-L140 HydrophobicContact CG2-CD1 4.34Å; T54-L140 HydrophobicContact CG2-CD2 3.75Å; T54-L140 HydrophobicContact CG2-CG 4.23Å; L58-L140 HydrophobicContact CD1-CD1 4.05Å; V135-L140 HydrophobicContact CG1-CD1 4.41Å; V135-L140 HydrophobicContact CG1-CG 4.33Å; V135-L140 PolarHBondContact O-N 3.49Å; K136-L140 PolarHBondContact O-N 2.85Å; L140-L143 PolarHBondContact O-N 3.27Å; L140-H144 VanDerWaalsContact O-CB 3.31Å; L140-H144 WeakPolarHBondContact O-CB 3.32Å; L140-H144 PolarHBondContact O-N 2.92Å
141D93.9Very high95Very high55 Ų5543.7 Ų43.729%0.29422%0.221SC..Hα-helixtrans-63.7-42.5-178.8-74.4-14.3000112.2N72 K136 H144 S145N72-D141 PolarHBondContact ND2-OD1 2.99Å; N72-D141 PolarHBondContact ND2-OD2 2.84Å; K136-D141 WeakPolarHBondContact O-CB 3.28Å; K136-D141 VanDerWaalsContact O-CG 3.28Å; K136-D141 PolarHBondContact O-N 3.32Å; D141-H144 PolarHBondContact O-N 3.18Å; D141-S145 WeakPolarHBondContact O-CB 3.42Å; D141-S145 PolarHBondContact O-N 2.86Å
142P96Very high95Very high42 Ų4250.4 Ų50.427%0.27325%0.25SS..Hα-helixtrans-58.1-49.4171.4-29.536.8000113.5E137 F139 H144 S145 V146E137-P142 VanDerWaalsContact O-CD 3.29Å; E137-P142 WeakPolarHBondContact O-CD 3.29Å; F139-P142 WeakPolarHBondContact O-CD 3.31Å; P142-H144 VanDerWaalsContact C-N 3.33Å; P142-H144 PolarHBondContact O-N 2.82Å; P142-S145 VanDerWaalsContact O-CB 3.32Å; P142-S145 WeakPolarHBondContact O-CB 3.35Å; P142-S145 PolarHBondContact O-N 3.32Å; P142-S145 VanDerWaalsContact O-N 3.15Å; P142-V146 WeakPolarHBondContact O-CG2 3.23Å; P142-V146 PolarHBondContact O-N 3.23Å
143L96.3Very high95.2Very high9 Ų955.7 Ų55.75%0.04728%0.275CS..Hα-helixtrans-62.2-41.8179.1-66.4-177.8000111.8F47 V50 I51 F139 L140 S145 V146 Q147F47-L143 HydrophobicContact CD1-CD2 4.09Å; F47-L143 HydrophobicContact CD2-CD2 4.35Å; F47-L143 HydrophobicContact CE1-CD2 3.8Å; F47-L143 HydrophobicContact CE2-CD2 4.07Å; F47-L143 HydrophobicContact CG-CD2 4.38Å; F47-L143 HydrophobicContact CZ-CD2 3.8Å; V50-L143 HydrophobicContact CG1-CD1 4.22Å; I51-L143 HydrophobicContact CD1-CB 3.82Å; I51-L143 HydrophobicContact CG1-CB 4.02Å; I51-L143 HydrophobicContact CG1-CD1 4.28Å; F139-L143 HydrophobicContact CD2-CD1 4.05Å; F139-L143 HydrophobicContact CD2-CG 4.5Å; F139-L143 HydrophobicContact CE1-CD1 4.33Å; F139-L143 HydrophobicContact CE2-CD1 3.63Å; F139-L143 HydrophobicContact CE2-CG 4.44Å; F139-L143 HydrophobicContact CZ-CD1 3.79Å; F139-L143 VanDerWaalsContact O-CG 3.31Å; F139-L143 WeakPolarHBondContact O-CG 3.36Å; F139-L143 PolarHBondContact O-N 3.09Å; L140-L143 PolarHBondContact O-N 3.27Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-S145 PolarHBondContact O-N 3.39Å; L143-V146 PolarHBondContact O-N 3.37Å; L143-Q147 PolarHBondContact O-N 3.36Å; L143-Q147 VanDerWaalsContact O-N 3.09Å
144H94.3Very high95.5Very high97 Ų9751.3 Ų51.345%0.44926%0.255SS..Hα-helixtrans-65-36.4175.5179.3-88.2000112.4I51 L140 D141 P142 Q147 T148I51-H144 HydrophobicContact CD1-CB 4.42Å; L140-H144 VanDerWaalsContact O-CB 3.31Å; L140-H144 WeakPolarHBondContact O-CB 3.32Å; L140-H144 PolarHBondContact O-N 2.92Å; D141-H144 PolarHBondContact O-N 3.18Å; P142-H144 VanDerWaalsContact C-N 3.33Å; P142-H144 PolarHBondContact O-N 2.82Å; H144-Q147 PolarHBondContact O-N 3.48Å; H144-T148 VanDerWaalsContact CE1-CG2 3.42Å; H144-T148 WeakPolarHBondContact CE1-CG2 3.28Å; H144-T148 WeakPolarHBondContact O-CG2 3.42Å; H144-T148 PolarHBondContact O-N 3.35Å; H144-T148 PolarHBondContact O-OG1 3.45Å
145S94.6Very high95.6Very high53 Ų5351.9 Ų51.937%0.37126%0.26SS..Hα-helixtrans-59.5-47173.3-178.20000111D141 P142 L143 Q147 T148 H149D141-S145 WeakPolarHBondContact O-CB 3.42Å; D141-S145 PolarHBondContact O-N 2.86Å; P142-S145 VanDerWaalsContact O-CB 3.32Å; P142-S145 WeakPolarHBondContact O-CB 3.35Å; P142-S145 PolarHBondContact O-N 3.32Å; P142-S145 VanDerWaalsContact O-N 3.15Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-S145 PolarHBondContact O-N 3.39Å; S145-Q147 VanDerWaalsContact C-N 3.31Å; S145-Q147 PolarHBondContact O-N 2.97Å; S145-T148 PolarHBondContact O-N 3.44Å; S145-T148 PolarHBondContact O-OG1 3.44Å; S145-H149 WeakPolarHBondContact O-CB 3.36Å; S145-H149 PolarHBondContact O-CD2 3.02Å; S145-H149 VanDerWaalsContact O-CD2 3.26Å; S145-H149 PolarHBondContact O-N 2.95Å
146V95.9Very high95.7Very high14 Ų1458.8 Ų58.89%0.08529%0.287CS..Hα-helixtrans-61.1-40.7177.6-179.50000111.4F47 P142 L143 E150 L151 F210F47-V146 HydrophobicContact CD2-CG1 4.37Å; F47-V146 HydrophobicContact CE2-CB 4Å; F47-V146 HydrophobicContact CE2-CG1 3.69Å; P142-V146 WeakPolarHBondContact O-CG2 3.23Å; P142-V146 PolarHBondContact O-N 3.23Å; L143-V146 PolarHBondContact O-N 3.37Å; V146-E150 HydrophobicContact CG1-CB 4.16Å; V146-E150 PolarHBondContact O-N 3.02Å; V146-E150 VanDerWaalsContact O-N 3.12Å; V146-L151 HydrophobicContact CG1-CG 4.46Å; V146-L151 PolarHBondContact O-N 3.1Å; V146-F210 HydrophobicContact CG1-CD2 4.11Å; V146-F210 HydrophobicContact CG1-CE2 3.55Å
147Q94.5Very high95.9Very high44 Ų4459.4 Ų59.421%0.20629%0.29CS..Hα-helixtrans-62-43.5174.8-71.6-175.4-39.100113.5F47 E48 L143 H144 S145 L151F47-Q147 HydrophobicContact CB-CG 4.07Å; F47-Q147 HydrophobicContact CD2-CG 4.2Å; E48-Q147 VanDerWaalsContact N-NE2 3.1Å; L143-Q147 PolarHBondContact O-N 3.36Å; L143-Q147 VanDerWaalsContact O-N 3.09Å; H144-Q147 PolarHBondContact O-N 3.48Å; S145-Q147 VanDerWaalsContact C-N 3.31Å; S145-Q147 PolarHBondContact O-N 2.97Å; Q147-L151 HydrophobicContact CG-CD1 4.13Å
148T94.3Very high96.1Very high51 Ų5156.5 Ų56.531%0.31328%0.275SS..Hα-helixtrans-83.3-22.9-172.551.40000114H144 S145 K152H144-T148 VanDerWaalsContact CE1-CG2 3.42Å; H144-T148 WeakPolarHBondContact CE1-CG2 3.28Å; H144-T148 WeakPolarHBondContact O-CG2 3.42Å; H144-T148 PolarHBondContact O-N 3.35Å; H144-T148 PolarHBondContact O-OG1 3.45Å; S145-T148 PolarHBondContact O-N 3.44Å; S145-T148 PolarHBondContact O-OG1 3.44Å; T148-K152 WeakPolarHBondContact O-CB 3.48Å; T148-K152 VanDerWaalsContact O-CD 3.24Å; T148-K152 WeakPolarHBondContact O-CD 3.28Å
149H94.5Very high96.2Very high122 Ų12262 Ų6257%0.56530%0.296SS*.THydrogen-bonded Turntrans-109.7-71.1-178.1-62.3-67000112S145 K152 E153S145-H149 WeakPolarHBondContact O-CB 3.36Å; S145-H149 PolarHBondContact O-CD2 3.02Å; S145-H149 VanDerWaalsContact O-CD2 3.26Å; S145-H149 PolarHBondContact O-N 2.95Å; H149-K152 PolarHBondContact O-N 2.98Å; H149-E153 WeakPolarHBondContact O-CB 3.42Å; H149-E153 PolarHBondContact O-N 3.48Å
150E95.8Very high96.1Very high72 Ų7264.7 Ų64.734%0.33631%0.307SS..Hα-helixtrans-68.3-51.2-171.6-66178-117.900112.7V146 K152 E153 I154V146-E150 HydrophobicContact CG1-CB 4.16Å; V146-E150 PolarHBondContact O-N 3.02Å; V146-E150 VanDerWaalsContact O-N 3.12Å; E150-K152 PolarHBondContact O-N 3.38Å; E150-E153 WeakPolarHBondContact O-CB 3.38Å; E150-E153 PolarHBondContact O-N 2.99Å; E150-E153 VanDerWaalsContact O-N 3.12Å; E150-I154 WeakPolarHBondContact O-CG1 3.27Å; E150-I154 PolarHBondContact O-N 3.3Å
151L96.8Very high96.2Very high5 Ų564.7 Ų64.73%0.02631%0.307CS..Hα-helixtrans-64.5-33178.8-69.2-179.2000111.5V40 F47 V146 Q147 I154 N155 F210V40-L151 HydrophobicContact CG1-CD2 3.9Å; F47-L151 HydrophobicContact CD2-CD1 4.4Å; V146-L151 HydrophobicContact CG1-CG 4.46Å; V146-L151 PolarHBondContact O-N 3.1Å; Q147-L151 HydrophobicContact CG-CD1 4.13Å; L151-I154 HydrophobicContact CD2-CD1 4.28Å; L151-N155 VanDerWaalsContact O-CB 3.29Å; L151-N155 WeakPolarHBondContact O-CB 3.42Å; L151-N155 VanDerWaalsContact O-CG 3.22Å; L151-N155 PolarHBondContact O-N 2.94Å; L151-N155 PolarHBondContact O-ND2 3.48Å; L151-F210 HydrophobicContact CD2-CD2 4.44Å; L151-F210 HydrophobicContact CD2-CE1 4.09Å; L151-F210 HydrophobicContact CD2-CE2 3.94Å; L151-F210 HydrophobicContact CD2-CZ 3.73Å; L151-F210 HydrophobicContact CG-CE2 4.39Å; L151-F210 HydrophobicContact CG-CZ 4.5Å
152K96.8Very high96.2Very high147 Ų14765.3 Ų65.364%0.63931%0.309SS*.Hα-helixtrans-66-40.4174.3-171.1177.7-178.5177.80112T148 H149 E150 Y156T148-K152 WeakPolarHBondContact O-CB 3.48Å; T148-K152 VanDerWaalsContact O-CD 3.24Å; T148-K152 WeakPolarHBondContact O-CD 3.28Å; H149-K152 PolarHBondContact O-N 2.98Å; E150-K152 PolarHBondContact O-N 3.38Å; K152-Y156 PolarHBondContact O-N 3.48Å
153E97Very high96.1Very high114 Ų11464 Ų6453%0.53330%0.303SS..Hα-helixtrans-67-45.8175.3-177.8169.4-170.800111.6H149 E150 N155 Y156 H157H149-E153 WeakPolarHBondContact O-CB 3.42Å; H149-E153 PolarHBondContact O-N 3.48Å; E150-E153 WeakPolarHBondContact O-CB 3.38Å; E150-E153 PolarHBondContact O-N 2.99Å; E150-E153 VanDerWaalsContact O-N 3.12Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.47Å; E153-Y156 WeakPolarHBondContact O-CA 3.17Å; E153-Y156 VanDerWaalsContact O-CB 3.31Å; E153-Y156 WeakPolarHBondContact O-CB 3.3Å; E153-Y156 PolarHBondContact O-N 3.08Å; E153-H157 PolarHBondContact O-CD2 2.89Å; E153-H157 PolarHBondContact O-N 3.22Å; E153-H157 IonicContact OE1-NE2 2.66Å
154I98Very high96.1Very high4 Ų466.4 Ų66.42%0.02131%0.311CS..Hα-helixtrans-56.6-47.6174.2-70.4165.2000110.8V40 E150 L151 Y156 H157 R158 A206 M207 F210V40-I154 HydrophobicContact CG1-CD1 4.35Å; V40-I154 HydrophobicContact CG1-CG2 4.18Å; E150-I154 WeakPolarHBondContact O-CG1 3.27Å; E150-I154 PolarHBondContact O-N 3.3Å; L151-I154 HydrophobicContact CD2-CD1 4.28Å; I154-Y156 VanDerWaalsContact C-N 3.27Å; I154-Y156 PolarHBondContact O-N 3.36Å; I154-H157 PolarHBondContact O-N 3.16Å; I154-H157 VanDerWaalsContact O-N 3.11Å; I154-R158 HydrophobicContact CG2-CG 4.26Å; I154-R158 WeakPolarHBondContact O-CG 3.31Å; I154-R158 PolarHBondContact O-N 3.47Å; I154-A206 HydrophobicContact CG1-CB 3.97Å; I154-M207 HydrophobicContact CG2-CG 3.6Å; I154-M207 HydrophobicContact CG2-SD 4.4Å; I154-F210 HydrophobicContact CD1-CB 3.57Å; I154-F210 HydrophobicContact CD1-CD1 4.13Å; I154-F210 HydrophobicContact CD1-CD2 4.37Å; I154-F210 HydrophobicContact CD1-CG 3.77Å
155N97.2Very high96.1Very high75 Ų7563 Ų6340%0.40130%0.295SS..Hα-helixtrans-62.8-33.5177.9-77.1-37.1000112.5L151 E153 R158 K159L151-N155 VanDerWaalsContact O-CB 3.29Å; L151-N155 WeakPolarHBondContact O-CB 3.42Å; L151-N155 VanDerWaalsContact O-CG 3.22Å; L151-N155 PolarHBondContact O-N 2.94Å; L151-N155 PolarHBondContact O-ND2 3.48Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.47Å; N155-R158 PolarHBondContact OD1-NH1 3.31Å; N155-K159 VanDerWaalsContact O-CB 3.26Å; N155-K159 WeakPolarHBondContact O-CB 3.48Å; N155-K159 PolarHBondContact O-N 2.72Å
156Y97.8Very high96Very high145 Ų14561.2 Ų61.257%0.56928%0.281SS*.Hα-helixtrans-63.1-47.4171.3171.8-92.6000111.7K152 E153 I154 K159 K160K152-Y156 PolarHBondContact O-N 3.48Å; E153-Y156 WeakPolarHBondContact O-CA 3.17Å; E153-Y156 VanDerWaalsContact O-CB 3.31Å; E153-Y156 WeakPolarHBondContact O-CB 3.3Å; E153-Y156 PolarHBondContact O-N 3.08Å; I154-Y156 VanDerWaalsContact C-N 3.27Å; I154-Y156 PolarHBondContact O-N 3.36Å; Y156-K159 PolarHBondContact O-N 3.37Å; Y156-K160 HydrophobicContact CE1-CD 4.24Å; Y156-K160 WeakPolarHBondContact O-CB 3.49Å; Y156-K160 PolarHBondContact O-N 3.45Å
157H98Very high95.8Very high26 Ų2661 Ų6112%0.1228%0.279CS..Hα-helixtrans-63.1-45.5177.7-72.6-69.8000112.4E153 I154 K159 K160 L161 A203E153-H157 PolarHBondContact O-CD2 2.89Å; E153-H157 PolarHBondContact O-N 3.22Å; E153-H157 IonicContact OE1-NE2 2.66Å; I154-H157 PolarHBondContact O-N 3.16Å; I154-H157 VanDerWaalsContact O-N 3.11Å; H157-K159 PolarHBondContact O-N 2.96Å; H157-K160 WeakPolarHBondContact O-CB 3.47Å; H157-K160 PolarHBondContact O-N 2.94Å; H157-L161 WeakPolarHBondContact O-CB 3.43Å; H157-L161 PolarHBondContact O-N 3.15Å; H157-A203 HydrophobicContact CB-CB 3.87Å
158R97.1Very high95.7Very high41 Ų4159.6 Ų59.616%0.15527%0.272CS..Hα-helixtrans-58.4-47175.6-71.5173.666.4-166.212.8112E37 D41 I154 N155 K160 L161 E162 M207E37-R158 IonicContact OE1-CZ 3.58Å; E37-R158 IonicContact OE1-NE 3.62Å; E37-R158 PolarHBondContact OE1-NE 3.29Å; E37-R158 IonicContact OE1-NH2 3.02Å; E37-R158 PolarHBondContact OE1-NH2 3.18Å; D41-R158 IonicContact OD1-CZ 3.16Å; D41-R158 IonicContact OD1-NH1 3.37Å; D41-R158 PolarHBondContact OD1-NH1 3.39Å; D41-R158 IonicContact OD1-NH2 2.8Å; D41-R158 PolarHBondContact OD1-NH2 3.49Å; D41-R158 IonicContact OD2-CZ 3.21Å; D41-R158 IonicContact OD2-NH1 2.72Å; D41-R158 IonicContact OD2-NH2 2.74Å; D41-R158 PolarHBondContact OD2-NH2 3.48Å; I154-R158 HydrophobicContact CG2-CG 4.26Å; I154-R158 WeakPolarHBondContact O-CG 3.31Å; I154-R158 PolarHBondContact O-N 3.47Å; N155-R158 PolarHBondContact OD1-NH1 3.31Å; R158-K160 VanDerWaalsContact C-N 3.32Å; R158-K160 PolarHBondContact O-N 3.31Å; R158-L161 WeakPolarHBondContact O-CB 3.37Å; R158-L161 PolarHBondContact O-N 3Å; R158-E162 PolarHBondContact O-N 2.75Å; R158-M207 HydrophobicContact CG-SD 4.4Å
159K96.9Very high95.6Very high172 Ų17257.4 Ų57.475%0.74826%0.259SS*.Hα-helixtrans-63.6-37176.6-173173.4-176.3172.40112.5N155 Y156 H157 G163N155-K159 VanDerWaalsContact O-CB 3.26Å; N155-K159 WeakPolarHBondContact O-CB 3.48Å; N155-K159 PolarHBondContact O-N 2.72Å; Y156-K159 PolarHBondContact O-N 3.37Å; H157-K159 PolarHBondContact O-N 2.96Å; K159-G163 PolarHBondContact O-N 3.37Å; K159-G163 VanDerWaalsContact O-N 3.09Å
160K97Very high95.3Very high66 Ų6652.2 Ų52.229%0.28724%0.236SC..Hα-helixtrans-66.5-45.1175.5-174.5179.7175.1-172.40110.9Y156 H157 R158 G163 R164Y156-K160 HydrophobicContact CE1-CD 4.24Å; Y156-K160 WeakPolarHBondContact O-CB 3.49Å; Y156-K160 PolarHBondContact O-N 3.45Å; H157-K160 WeakPolarHBondContact O-CB 3.47Å; H157-K160 PolarHBondContact O-N 2.94Å; R158-K160 VanDerWaalsContact C-N 3.32Å; R158-K160 PolarHBondContact O-N 3.31Å; K160-G163 CarbonylContact O-C 3.5Å; K160-G163 PolarHBondContact O-N 2.68Å; K160-R164 WeakPolarHBondContact O-CG 3.32Å; K160-R164 PolarHBondContact O-N 3.42Å
161L97.1Very high95Very high4 Ų450.3 Ų50.32%0.02123%0.227CC..Hα-helixtrans-56.3-51.9174.9171.559.1000111.1L29 Y33 H157 R158 G163 R164 R165 F196 K200 A203L29-L161 HydrophobicContact CD1-CD2 4Å; L29-L161 HydrophobicContact CD2-CD2 4.31Å; Y33-L161 HydrophobicContact CE1-CD2 4.29Å; Y33-L161 HydrophobicContact CE2-CD2 3.82Å; Y33-L161 WeakPolarHBondContact OH-CD2 3.1Å; H157-L161 WeakPolarHBondContact O-CB 3.43Å; H157-L161 PolarHBondContact O-N 3.15Å; R158-L161 WeakPolarHBondContact O-CB 3.37Å; R158-L161 PolarHBondContact O-N 3Å; L161-G163 PolarHBondContact O-N 3.37Å; L161-R164 CarbonylContact O-C 3.55Å; L161-R164 WeakPolarHBondContact O-CA 3.29Å; L161-R164 WeakPolarHBondContact O-CB 3.22Å; L161-R164 PolarHBondContact O-N 3.36Å; L161-R165 PolarHBondContact O-N 3.39Å; L161-F196 HydrophobicContact CD1-CD2 3.59Å; L161-F196 HydrophobicContact CD1-CE2 3.47Å; L161-F196 VanDerWaalsContact CD1-CE2 3.47Å; L161-F196 HydrophobicContact CD1-CZ 4.43Å; L161-K200 HydrophobicContact CD1-CB 3.76Å; L161-K200 HydrophobicContact CD1-CG 4.47Å; L161-K200 HydrophobicContact CD2-CB 4.38Å; L161-K200 HydrophobicContact CD2-CG 4.38Å; L161-A203 HydrophobicContact CD2-CB 4.29Å
162E94.4Very high94.6Very high69 Ų6954.5 Ų54.532%0.32225%0.245SC..Hα-helixtrans-57.6-42178.4178.855.1-158.800111.2R158 R164 R165 L166R158-E162 PolarHBondContact O-N 2.75Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 2.88Å; E162-R165 PolarHBondContact O-N 3.14Å; E162-R165 IonicContact OE1-CZ 3.9Å; E162-R165 IonicContact OE1-NE 3.99Å; E162-R165 PolarHBondContact OE1-NE 3.02Å; E162-R165 IonicContact OE1-NH2 3.61Å; E162-R165 PolarHBondContact OE1-NH2 2.8Å; E162-R165 IonicContact OE2-CZ 3.77Å; E162-R165 IonicContact OE2-NE 3.22Å; E162-R165 PolarHBondContact OE2-NE 2.97Å; E162-R165 IonicContact OE2-NH2 3.79Å; E162-L166 WeakPolarHBondContact O-CG 3.25Å; E162-L166 PolarHBondContact O-N 3.3Å; E162-L166 VanDerWaalsContact O-N 3.1Å
163G94.1Very high94Very high15 Ų1549.5 Ų49.516%0.15522%0.222CC..Hα-helixtrans-63.4-27.4173.300000114.5K12 K159 K160 L161K12-G163 WeakPolarHBondContact CD-O 3.24Å; K12-G163 WeakPolarHBondContact CE-O 3.44Å; K12-G163 PolarHBondContact NZ-O 2.89Å; K159-G163 PolarHBondContact O-N 3.37Å; K159-G163 VanDerWaalsContact O-N 3.09Å; K160-G163 CarbonylContact O-C 3.5Å; K160-G163 PolarHBondContact O-N 2.68Å; L161-G163 PolarHBondContact O-N 3.37Å
164R95.2Very high93.4Very high58 Ų5847.7 Ų47.722%0.21921%0.212CC..Hα-helixtrans-82.8-38.4174.6-65.7-59-172.1178.70111.9K160 L161 E162 L166 D167 F168 F196 S199K160-R164 WeakPolarHBondContact O-CG 3.32Å; K160-R164 PolarHBondContact O-N 3.42Å; L161-R164 CarbonylContact O-C 3.55Å; L161-R164 WeakPolarHBondContact O-CA 3.29Å; L161-R164 WeakPolarHBondContact O-CB 3.22Å; L161-R164 PolarHBondContact O-N 3.36Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 2.88Å; R164-L166 PolarHBondContact O-N 3.24Å; R164-D167 WeakPolarHBondContact O-CB 3.4Å; R164-D167 PolarHBondContact O-N 3.07Å; R164-D167 VanDerWaalsContact O-N 3.13Å; R164-F168 WeakPolarHBondContact O-CB 3.45Å; R164-F168 PolarHBondContact O-N 2.9Å; R164-F196 HydrophobicContact CB-CB 4.17Å; R164-F196 HydrophobicContact CB-CD2 4.42Å; R164-S199 WeakPolarHBondContact CG-OG 3.4Å
165R95.5Very high92.6Very high27 Ų2748.9 Ų48.910%0.10222%0.218CC..Hα-helixtrans-54-52.7173.9-171.7-168.370.6101.17.6110.8E19 T27 L161 E162 D167 F168 D169 F196E19-R165 IonicContact OE1-CZ 3.78Å; E19-R165 IonicContact OE1-NH1 2.82Å; E19-R165 IonicContact OE1-NH2 2.7Å; E19-R165 IonicContact OE2-CZ 2.95Å; E19-R165 IonicContact OE2-NH1 2.68Å; E19-R165 PolarHBondContact OE2-NH1 2.9Å; E19-R165 IonicContact OE2-NH2 3.8Å; E19-R165 PolarHBondContact OE2-NH2 3.23Å; T27-R165 WeakPolarHBondContact O-CD 3.14Å; L161-R165 PolarHBondContact O-N 3.39Å; E162-R165 PolarHBondContact O-N 3.14Å; E162-R165 IonicContact OE1-CZ 3.9Å; E162-R165 IonicContact OE1-NE 3.99Å; E162-R165 PolarHBondContact OE1-NE 3.02Å; E162-R165 IonicContact OE1-NH2 3.61Å; E162-R165 PolarHBondContact OE1-NH2 2.8Å; E162-R165 IonicContact OE2-CZ 3.77Å; E162-R165 IonicContact OE2-NE 3.22Å; E162-R165 PolarHBondContact OE2-NE 2.97Å; E162-R165 IonicContact OE2-NH2 3.79Å; R165-D167 VanDerWaalsContact C-N 3.28Å; R165-D167 PolarHBondContact O-N 2.81Å; R165-F168 PolarHBondContact O-N 3.11Å; R165-D169 IonicContact NH1-OD2 2.93Å; R165-D169 WeakPolarHBondContact O-CB 3.48Å; R165-D169 PolarHBondContact O-N 3.44Å; R165-F196 HydrophobicContact CB-CD2 3.93Å; R165-F196 HydrophobicContact CB-CE2 3.71Å; R165-F196 HydrophobicContact CG-CE2 3.93Å
166L92.4Very high91.8Very high15 Ų1550.5 Ų50.58%0.07923%0.226CC..Hα-helixtrans-60.5-34.4177.6-67172.3000113.3K12 Q15 F16 E162 R164 C170K12-L166 HydrophobicContact CB-CB 4.16Å; K12-L166 HydrophobicContact CB-CD1 4.49Å; K12-L166 HydrophobicContact CG-CB 4.21Å; Q15-L166 HydrophobicContact CB-CD2 4.3Å; Q15-L166 HydrophobicContact CG-CB 4.38Å; Q15-L166 HydrophobicContact CG-CD2 3.81Å; F16-L166 HydrophobicContact CB-CD1 4.1Å; F16-L166 HydrophobicContact CB-CD2 3.98Å; F16-L166 HydrophobicContact CD2-CD1 4.4Å; E162-L166 WeakPolarHBondContact O-CG 3.25Å; E162-L166 PolarHBondContact O-N 3.3Å; E162-L166 VanDerWaalsContact O-N 3.1Å; R164-L166 PolarHBondContact O-N 3.24Å; L166-C170 VanDerWaalsContact O-CB 3.25Å; L166-C170 WeakPolarHBondContact O-CB 3.3Å; L166-C170 PolarHBondContact O-N 2.94Å; L166-C170 VanDerWaalsContact O-N 3.14Å
167D91.9Very high90.9Very high10 Ų1053.6 Ų53.65%0.05324%0.237CC..Hα-helixtrans-70-45.7176.7-168.263.8000111.1K8 K12 R164 R165 K171K8-D167 VanDerWaalsContact CE-CG 3.44Å; K8-D167 WeakPolarHBondContact CE-OD1 3.44Å; K8-D167 WeakPolarHBondContact CE-OD2 3.35Å; K8-D167 IonicContact NZ-OD1 2.85Å; K8-D167 PolarHBondContact NZ-OD1 3.34Å; K8-D167 IonicContact NZ-OD2 3.64Å; K8-D167 PolarHBondContact NZ-OD2 2.96Å; K12-D167 HydrophobicContact CG-CB 4.5Å; R164-D167 WeakPolarHBondContact O-CB 3.4Å; R164-D167 PolarHBondContact O-N 3.07Å; R164-D167 VanDerWaalsContact O-N 3.13Å; R165-D167 VanDerWaalsContact C-N 3.28Å; R165-D167 PolarHBondContact O-N 2.81Å; D167-K171 WeakPolarHBondContact O-CG 3.38Å; D167-K171 PolarHBondContact O-N 3.34Å; D167-K171 VanDerWaalsContact O-N 3.11Å
168F92.6Very high89.4Confident13 Ų1353.7 Ų53.76%0.05724%0.241CC..Hα-helixtrans-61.6-50.2177.2173.6-117.9000111.2T27 R164 R165 C170 K171 K172 L189 A192 E193 F196T27-F168 HydrophobicContact CG2-CE1 4.49Å; R164-F168 WeakPolarHBondContact O-CB 3.45Å; R164-F168 PolarHBondContact O-N 2.9Å; R165-F168 PolarHBondContact O-N 3.11Å; F168-C170 VanDerWaalsContact C-N 3.33Å; F168-C170 PolarHBondContact O-N 3.33Å; F168-K171 PolarHBondContact O-N 3.02Å; F168-K171 VanDerWaalsContact O-N 3.1Å; F168-K172 HydrophobicContact CE1-CD 4.4Å; F168-K172 HydrophobicContact CZ-CD 4.29Å; F168-K172 WeakPolarHBondContact O-CB 3.33Å; F168-K172 PolarHBondContact O-N 3.49Å; F168-L189 HydrophobicContact CD2-CD1 3.98Å; F168-L189 HydrophobicContact CE2-CD1 3.85Å; F168-A192 HydrophobicContact CB-CB 4.46Å; F168-A192 HydrophobicContact CD2-CB 4.4Å; F168-E193 HydrophobicContact CD2-CB 3.89Å; F168-E193 HydrophobicContact CD2-CG 4.48Å; F168-E193 HydrophobicContact CE2-CB 3.56Å; F168-E193 HydrophobicContact CE2-CG 3.84Å; F168-E193 HydrophobicContact CZ-CB 4.3Å; F168-E193 HydrophobicContact CZ-CG 4.08Å; F168-F196 HydrophobicContact CB-CB 4.34Å; F168-F196 HydrophobicContact CD1-CD1 4.42Å
169D91.4Very high87.7Confident5 Ų555.7 Ų55.73%0.02727%0.266CS..Hα-helixtrans-62.4-39.3179.9-69.8-22.2000112.2Q15 G26 T27 R165 K171 K172 R173Q15-D169 HydrophobicContact CG-CB 4.1Å; G26-D169 VanDerWaalsContact CA-OD2 3.23Å; G26-D169 WeakPolarHBondContact CA-OD2 3.24Å; T27-D169 WeakPolarHBondContact CB-OD1 3.42Å; T27-D169 PolarHBondContact N-OD1 2.94Å; T27-D169 PolarHBondContact N-OD2 3.43Å; T27-D169 PolarHBondContact OG1-OD1 3.17Å; R165-D169 IonicContact NH1-OD2 2.93Å; R165-D169 WeakPolarHBondContact O-CB 3.48Å; R165-D169 PolarHBondContact O-N 3.44Å; D169-K171 VanDerWaalsContact C-N 3.35Å; D169-K171 PolarHBondContact O-N 2.97Å; D169-K172 PolarHBondContact O-N 2.9Å; D169-R173 WeakPolarHBondContact O-CB 3.2Å; D169-R173 WeakPolarHBondContact O-CG 3.25Å; D169-R173 PolarHBondContact O-N 3.13Å
170C88.6Confident86Confident13 Ų1354.4 Ų54.49%0.08827%0.267CS..Hα-helixtrans-61.3-43.2174.5-175.80000111.8Q15 L166 F168 K174Q15-C170 HydrophobicContact CB-CB 4.2Å; Q15-C170 HydrophobicContact CG-CB 4.45Å; L166-C170 VanDerWaalsContact O-CB 3.25Å; L166-C170 WeakPolarHBondContact O-CB 3.3Å; L166-C170 PolarHBondContact O-N 2.94Å; L166-C170 VanDerWaalsContact O-N 3.14Å; F168-C170 VanDerWaalsContact C-N 3.33Å; F168-C170 PolarHBondContact O-N 3.33Å; C170-K174 WeakPolarHBondContact O-CG 3.45Å; C170-K174 PolarHBondContact O-N 3.5Å; C170-K174 VanDerWaalsContact O-N 3.16Å
171K89.3Confident84Confident32 Ų3258.7 Ų58.714%0.13929%0.294CS..Hα-helixtrans-70.8-41178.3-70.8-163.3-170.4-158.10112D167 F168 D169 K174 Q175 L184 E188 L189 A192D167-K171 WeakPolarHBondContact O-CG 3.38Å; D167-K171 PolarHBondContact O-N 3.34Å; D167-K171 VanDerWaalsContact O-N 3.11Å; F168-K171 PolarHBondContact O-N 3.02Å; F168-K171 VanDerWaalsContact O-N 3.1Å; D169-K171 VanDerWaalsContact C-N 3.35Å; D169-K171 PolarHBondContact O-N 2.97Å; K171-K174 PolarHBondContact O-N 3.34Å; K171-Q175 PolarHBondContact O-N 2.94Å; K171-L184 HydrophobicContact CB-CD1 4.21Å; K171-L184 HydrophobicContact CG-CD1 4.48Å; K171-L184 WeakPolarHBondContact O-CD1 3.48Å; K171-E188 VanDerWaalsContact CD-O 3.32Å; K171-E188 WeakPolarHBondContact CD-O 3.41Å; K171-E188 PolarHBondContact NZ-O 2.95Å; K171-E188 IonicContact NZ-OE2 3.77Å; K171-E188 PolarHBondContact NZ-OE2 3Å; K171-L189 HydrophobicContact CB-CD1 3.84Å; K171-A192 HydrophobicContact CD-CB 3.79Å
172K87.7Confident82.3Confident93 Ų9363 Ų6340%0.40432%0.323SS..Hα-helixtrans-58.1-50.2175.8-173.6176.4178.81790110.9F168 D169 K174 Q175 D176 L189F168-K172 HydrophobicContact CE1-CD 4.4Å; F168-K172 HydrophobicContact CZ-CD 4.29Å; F168-K172 WeakPolarHBondContact O-CB 3.33Å; F168-K172 PolarHBondContact O-N 3.49Å; D169-K172 PolarHBondContact O-N 2.9Å; K172-K174 VanDerWaalsContact C-N 3.31Å; K172-K174 PolarHBondContact O-N 2.93Å; K172-Q175 WeakPolarHBondContact O-CA 3.29Å; K172-Q175 WeakPolarHBondContact O-CB 3.28Å; K172-Q175 PolarHBondContact O-N 3.06Å; K172-D176 VanDerWaalsContact O-CG 3.26Å; K172-D176 PolarHBondContact O-N 2.95Å; K172-L189 HydrophobicContact CB-CD1 4.16Å
173R84.5Confident80.9Confident43 Ų4368.6 Ų68.616%0.16234%0.342CS..Hα-helixtrans-60.9-36.8176.1-73.1-179.3-175.21744.2113.7Q15 S18 A24 E25 D169 R177Q15-R173 VanDerWaalsContact CD-NH1 3.32Å; Q15-R173 VanDerWaalsContact NE2-NH2 3.12Å; S18-R173 PolarHBondContact OG-NH1 3.38Å; S18-R173 VanDerWaalsContact OG-NH1 3.11Å; A24-R173 PolarHBondContact O-NH2 3.39Å; A24-R173 VanDerWaalsContact O-NH2 3.13Å; E25-R173 PolarHBondContact O-NH2 2.88Å; D169-R173 WeakPolarHBondContact O-CB 3.2Å; D169-R173 WeakPolarHBondContact O-CG 3.25Å; D169-R173 PolarHBondContact O-N 3.13Å; R173-R177 WeakPolarHBondContact O-CB 3.4Å; R173-R177 VanDerWaalsContact O-CG 3.29Å; R173-R177 WeakPolarHBondContact O-CG 3.3Å; R173-R177 PolarHBondContact O-N 3.44Å
174K84Confident79.7Confident76 Ų7669.6 Ų69.633%0.3334%0.344SS..Hα-helixtrans-66.7-40.6174.3-78.5172.1-179.4167.60111.2N11 C170 K171 K172 R177 S178 L184N11-K174 PolarHBondContact ND2-NZ 2.97Å; N11-K174 PolarHBondContact OD1-NZ 3.46Å; C170-K174 WeakPolarHBondContact O-CG 3.45Å; C170-K174 PolarHBondContact O-N 3.5Å; C170-K174 VanDerWaalsContact O-N 3.16Å; K171-K174 PolarHBondContact O-N 3.34Å; K172-K174 VanDerWaalsContact C-N 3.31Å; K172-K174 PolarHBondContact O-N 2.93Å; K174-R177 PolarHBondContact O-N 3.48Å; K174-S178 WeakPolarHBondContact O-CB 3.48Å; K174-S178 PolarHBondContact O-N 3.46Å; K174-S178 PolarHBondContact O-OG 3.15Å; K174-S178 VanDerWaalsContact O-OG 3.11Å; K174-L184 HydrophobicContact CB-CD1 3.46Å; K174-L184 VanDerWaalsContact CB-CD1 3.46Å; K174-L184 HydrophobicContact CB-CG 4.35Å; K174-L184 HydrophobicContact CD-CD1 4.26Å
175Q82.4Confident78.8Confident29 Ų2970.1 Ų70.114%0.13635%0.354CS..Hα-helixtrans-62-45.5175.4-171.169.8-3.500111.5K171 K172 R177 S178 L184 L189K171-Q175 PolarHBondContact O-N 2.94Å; K172-Q175 WeakPolarHBondContact O-CA 3.29Å; K172-Q175 WeakPolarHBondContact O-CB 3.28Å; K172-Q175 PolarHBondContact O-N 3.06Å; Q175-R177 PolarHBondContact O-N 3.28Å; Q175-S178 PolarHBondContact O-N 3.01Å; Q175-L184 VanDerWaalsContact OE1-N 3.08Å; Q175-L184 PolarHBondContact OE1-O 3.3Å; Q175-L189 HydrophobicContact CB-CD2 4.19Å; Q175-L189 HydrophobicContact CG-CD2 4.08Å
176D80.6Confident77.8Confident109 Ų10975.8 Ų75.858%0.58338%0.382SS*.Hα-helixtrans-64.5-38.8179.8-62.5-24.3000112.2K172K172-D176 VanDerWaalsContact O-CG 3.26Å; K172-D176 PolarHBondContact O-N 2.95Å
177R77.7Confident77.4Confident209 Ų20980.8 Ų80.879%0.78941%0.409SS*.Hα-helixtrans-74.6-26.7176.7-71.6178.2-178-171.31.2113.3R173 K174 Q175 A179R173-R177 WeakPolarHBondContact O-CB 3.4Å; R173-R177 VanDerWaalsContact O-CG 3.29Å; R173-R177 WeakPolarHBondContact O-CG 3.3Å; R173-R177 PolarHBondContact O-N 3.44Å; K174-R177 PolarHBondContact O-N 3.48Å; Q175-R177 PolarHBondContact O-N 3.28Å; R177-A179 VanDerWaalsContact C-N 3.25Å; R177-A179 PolarHBondContact O-N 2.86Å
178S67.9Low77.3Confident29 Ų2984.4 Ų84.420%0.20343%0.425CS..G310 helixtrans-82.710-173.6-84.70000115K174 Q175 N180 N181 S182K174-S178 WeakPolarHBondContact O-CB 3.48Å; K174-S178 PolarHBondContact O-N 3.46Å; K174-S178 PolarHBondContact O-OG 3.15Å; K174-S178 VanDerWaalsContact O-OG 3.11Å; Q175-S178 PolarHBondContact O-N 3.01Å; S178-N180 PolarHBondContact O-N 3.37Å; S178-N181 PolarHBondContact O-N 3.47Å; S178-S182 WeakPolarHBondContact CB-O 3.3Å; S178-S182 PolarHBondContact OG-O 3.27Å
179A61.1Low77.1Confident83 Ų8385.2 Ų85.269%0.68643%0.43SS*.G310 helixtrans-49.8-22.2175.300000113.8R177R177-A179 VanDerWaalsContact C-N 3.25Å; R177-A179 PolarHBondContact O-N 2.86Å
180N60.9Low77.1Confident145 Ų14590.8 Ų90.878%0.77545%0.454SS*.G310 helixtrans-114.6-7.8-175.6-83.4-7.1000118.2S178S178-N180 PolarHBondContact O-N 3.37Å
181N55.1Low77.4Confident156 Ų15692.8 Ų92.883%0.83447%0.466SS*.THydrogen-bonded Turntrans-164.10.7179.6-104.7-26.5000120.8S178S178-N181 PolarHBondContact O-N 3.47Å
182S61.5Low77.5Confident93 Ų9391.4 Ų91.465%0.6546%0.46SS*.  trans-172.779.7172.4-780000110.8S178 L184S178-S182 WeakPolarHBondContact CB-O 3.3Å; S178-S182 PolarHBondContact OG-O 3.27Å; S182-L184 PolarHBondContact O-N 2.71Å
183R64.5Low77.9Confident188 Ų18891.1 Ų91.171%0.70946%0.46SS*.PPolyproline II helixtrans-54.8132.4173.6-113.7-178.4174.7-177.6-2.6109.3
184L68.2Low78.4Confident36 Ų3694 Ų9419%0.18848%0.476CS..PPolyproline II helixtrans-61.6146.3164.4-78.1164.4000107.3K171 K174 Q175 S182 E186K171-L184 HydrophobicContact CB-CD1 4.21Å; K171-L184 HydrophobicContact CG-CD1 4.48Å; K171-L184 WeakPolarHBondContact O-CD1 3.48Å; K174-L184 HydrophobicContact CB-CD1 3.46Å; K174-L184 VanDerWaalsContact CB-CD1 3.46Å; K174-L184 HydrophobicContact CB-CG 4.35Å; K174-L184 HydrophobicContact CD-CD1 4.26Å; Q175-L184 VanDerWaalsContact OE1-N 3.08Å; Q175-L184 PolarHBondContact OE1-O 3.3Å; S182-L184 PolarHBondContact O-N 2.71Å; L184-E186 PolarHBondContact O-N 3.11Å
185P76.1Confident79Confident69 Ų6994.1 Ų94.145%0.44848%0.476SS..PPolyproline II helixtrans-51.7127.9170.1-23.533.2000108.6D187 E188P185-D187 PolarHBondContact O-N 3.37Å; P185-D187 VanDerWaalsContact O-N 3.14Å; P185-E188 HydrophobicContact CB-CB 4.41Å; P185-E188 HydrophobicContact CB-CG 4.29Å; P185-E188 HydrophobicContact CG-CG 4.32Å; P185-E188 WeakPolarHBondContact O-CB 3.44Å; P185-E188 PolarHBondContact O-N 2.64Å
186E75.3Confident79.7Confident146 Ų14693 Ų9368%0.68247%0.471SS*.Hα-helixtrans-56.1-33.2-178.5-167.2165.8177.200111.1L184 E188 L189 K190L184-E186 PolarHBondContact O-N 3.11Å; E186-E188 VanDerWaalsContact C-N 3.28Å; E186-E188 PolarHBondContact O-N 3.14Å; E186-L189 PolarHBondContact O-N 2.85Å; E186-K190 WeakPolarHBondContact O-CB 3.36Å; E186-K190 PolarHBondContact O-N 2.94Å
187D84.9Confident80.4Confident119 Ų11992 Ų9264%0.63646%0.463SS*.Hα-helixtrans-56.4-36.7171.6-61-27.3000113.3P185 V191P185-D187 PolarHBondContact O-N 3.37Å; P185-D187 VanDerWaalsContact O-N 3.14Å; D187-V191 VanDerWaalsContact O-CB 3.31Å; D187-V191 WeakPolarHBondContact O-CB 3.48Å; D187-V191 WeakPolarHBondContact O-CG2 3.1Å; D187-V191 PolarHBondContact O-N 2.89Å
188E88Confident81.4Confident86 Ų8687.4 Ų87.440%0.40245%0.45SS..Hα-helixtrans-72-34.9-178-88.6-152.3-140.100113.4K171 P185 E186 A192K171-E188 VanDerWaalsContact CD-O 3.32Å; K171-E188 WeakPolarHBondContact CD-O 3.41Å; K171-E188 PolarHBondContact NZ-O 2.95Å; K171-E188 IonicContact NZ-OE2 3.77Å; K171-E188 PolarHBondContact NZ-OE2 3Å; P185-E188 HydrophobicContact CB-CB 4.41Å; P185-E188 HydrophobicContact CB-CG 4.29Å; P185-E188 HydrophobicContact CG-CG 4.32Å; P185-E188 WeakPolarHBondContact O-CB 3.44Å; P185-E188 PolarHBondContact O-N 2.64Å; E186-E188 VanDerWaalsContact C-N 3.28Å; E186-E188 PolarHBondContact O-N 3.14Å; E188-A192 PolarHBondContact O-N 3.22Å
189L88.9Confident82.8Confident31 Ų3186.2 Ų86.216%0.16244%0.442CS..Hα-helixtrans-73.7-46.3176.218061.1000109.6F168 K171 K172 Q175 E186 V191 A192 E193F168-L189 HydrophobicContact CD2-CD1 3.98Å; F168-L189 HydrophobicContact CE2-CD1 3.85Å; K171-L189 HydrophobicContact CB-CD1 3.84Å; K172-L189 HydrophobicContact CB-CD1 4.16Å; Q175-L189 HydrophobicContact CB-CD2 4.19Å; Q175-L189 HydrophobicContact CG-CD2 4.08Å; E186-L189 PolarHBondContact O-N 2.85Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 3.49Å; L189-A192 WeakPolarHBondContact O-CA 3.46Å; L189-A192 WeakPolarHBondContact O-CB 3.45Å; L189-A192 PolarHBondContact O-N 3Å; L189-E193 PolarHBondContact O-N 3.41Å
190K92.2Very high84.5Confident121 Ų12183.8 Ų83.853%0.52642%0.416SS..Hα-helixtrans-56.3-46.3176.1-173.6179.4177-175.70112E186 A192 E193 E194E186-K190 WeakPolarHBondContact O-CB 3.36Å; E186-K190 PolarHBondContact O-N 2.94Å; K190-A192 VanDerWaalsContact C-N 3.27Å; K190-A192 PolarHBondContact O-N 3.34Å; K190-E193 WeakPolarHBondContact O-CB 3.37Å; K190-E193 PolarHBondContact O-N 3.17Å; K190-E194 WeakPolarHBondContact CE-OE1 3.38Å; K190-E194 WeakPolarHBondContact O-CG 3.46Å; K190-E194 PolarHBondContact O-N 3.12Å
191V94Very high86.2Confident56 Ų5679.5 Ų79.534%0.33940%0.4SS..Hα-helixtrans-63.6-31.1176.41680000112.5D187 L189 K195D187-V191 VanDerWaalsContact O-CB 3.31Å; D187-V191 WeakPolarHBondContact O-CB 3.48Å; D187-V191 WeakPolarHBondContact O-CG2 3.1Å; D187-V191 PolarHBondContact O-N 2.89Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 3.49Å; V191-K195 HydrophobicContact CG1-CD 4.05Å; V191-K195 WeakPolarHBondContact O-CB 3.46Å; V191-K195 WeakPolarHBondContact O-CD 3.27Å; V191-K195 VanDerWaalsContact O-CG 3.24Å; V191-K195 WeakPolarHBondContact O-CG 3.26Å; V191-K195 PolarHBondContact O-N 2.58Å
192A93.2Very high88.3Confident2 Ų275.5 Ų75.52%0.01738%0.379CS..Hα-helixtrans-74.6-38.3176.200000111.8F168 K171 E188 L189 K190 F196F168-A192 HydrophobicContact CB-CB 4.46Å; F168-A192 HydrophobicContact CD2-CB 4.4Å; K171-A192 HydrophobicContact CD-CB 3.79Å; E188-A192 PolarHBondContact O-N 3.22Å; L189-A192 WeakPolarHBondContact O-CA 3.46Å; L189-A192 WeakPolarHBondContact O-CB 3.45Å; L189-A192 PolarHBondContact O-N 3Å; K190-A192 VanDerWaalsContact C-N 3.27Å; K190-A192 PolarHBondContact O-N 3.34Å; A192-F196 WeakPolarHBondContact O-CB 3.31Å; A192-F196 PolarHBondContact O-N 2.89Å
193E94.8Very high90Very high88 Ų8871 Ų7141%0.41135%0.348SS..Hα-helixtrans-63.1-50.3173.8-170.6168.7-16300111.7F168 L189 K190 K195 F196 Q197F168-E193 HydrophobicContact CD2-CB 3.89Å; F168-E193 HydrophobicContact CD2-CG 4.48Å; F168-E193 HydrophobicContact CE2-CB 3.56Å; F168-E193 HydrophobicContact CE2-CG 3.84Å; F168-E193 HydrophobicContact CZ-CB 4.3Å; F168-E193 HydrophobicContact CZ-CG 4.08Å; L189-E193 PolarHBondContact O-N 3.41Å; K190-E193 WeakPolarHBondContact O-CB 3.37Å; K190-E193 PolarHBondContact O-N 3.17Å; E193-K195 VanDerWaalsContact C-N 3.3Å; E193-K195 PolarHBondContact O-N 2.93Å; E193-F196 WeakPolarHBondContact O-CB 3.48Å; E193-F196 PolarHBondContact O-N 3.05Å; E193-Q197 WeakPolarHBondContact O-CG 3.29Å; E193-Q197 PolarHBondContact O-N 3.18Å
194E96.1Very high91.5Very high104 Ų10463.8 Ų63.849%0.48632%0.322SS..Hα-helixtrans-55.3-45.6176.7-73.4170.4178.900111.3K190 F196 Q197 E198K190-E194 WeakPolarHBondContact CE-OE1 3.38Å; K190-E194 WeakPolarHBondContact O-CG 3.46Å; K190-E194 PolarHBondContact O-N 3.12Å; E194-F196 VanDerWaalsContact C-N 3.32Å; E194-F196 PolarHBondContact O-N 3.41Å; E194-Q197 PolarHBondContact O-N 3.45Å; E194-E198 WeakPolarHBondContact O-CB 3.28Å; E194-E198 PolarHBondContact O-N 2.99Å
195K96.7Very high92.9Very high78 Ų7867 Ų6734%0.33934%0.336SS..Hα-helixtrans-67.4-31.3178.2-75.7171.2178164.80113.4V191 E193 S199V191-K195 HydrophobicContact CG1-CD 4.05Å; V191-K195 WeakPolarHBondContact O-CB 3.46Å; V191-K195 WeakPolarHBondContact O-CD 3.27Å; V191-K195 VanDerWaalsContact O-CG 3.24Å; V191-K195 WeakPolarHBondContact O-CG 3.26Å; V191-K195 PolarHBondContact O-N 2.58Å; E193-K195 VanDerWaalsContact C-N 3.3Å; E193-K195 PolarHBondContact O-N 2.93Å; K195-S199 WeakPolarHBondContact O-CB 3.48Å; K195-S199 PolarHBondContact O-N 3.04Å; K195-S199 PolarHBondContact O-OG 2.68Å
196F96.2Very high94Very high4 Ų464.7 Ų64.72%0.01832%0.323CS..Hα-helixtrans-68.6-50.8173.7166.4-107.1000110.2T27 L29 L161 R164 R165 F168 A192 E193 E194 E198 S199 K200T27-F196 HydrophobicContact CG2-CE1 3.89Å; T27-F196 HydrophobicContact CG2-CZ 3.8Å; L29-F196 HydrophobicContact CD2-CE2 4.18Å; L29-F196 HydrophobicContact CD2-CZ 3.8Å; L161-F196 HydrophobicContact CD1-CD2 3.59Å; L161-F196 HydrophobicContact CD1-CE2 3.47Å; L161-F196 VanDerWaalsContact CD1-CE2 3.47Å; L161-F196 HydrophobicContact CD1-CZ 4.43Å; R164-F196 HydrophobicContact CB-CB 4.17Å; R164-F196 HydrophobicContact CB-CD2 4.42Å; R165-F196 HydrophobicContact CB-CD2 3.93Å; R165-F196 HydrophobicContact CB-CE2 3.71Å; R165-F196 HydrophobicContact CG-CE2 3.93Å; F168-F196 HydrophobicContact CB-CB 4.34Å; F168-F196 HydrophobicContact CD1-CD1 4.42Å; A192-F196 WeakPolarHBondContact O-CB 3.31Å; A192-F196 PolarHBondContact O-N 2.89Å; E193-F196 WeakPolarHBondContact O-CB 3.48Å; E193-F196 PolarHBondContact O-N 3.05Å; E194-F196 VanDerWaalsContact C-N 3.32Å; E194-F196 PolarHBondContact O-N 3.41Å; F196-E198 PolarHBondContact O-N 3.29Å; F196-S199 PolarHBondContact O-N 3.05Å; F196-S199 VanDerWaalsContact O-N 3.17Å; F196-K200 WeakPolarHBondContact O-CB 3.04Å; F196-K200 PolarHBondContact O-N 3.33Å
197Q96Very high95.1Very high90 Ų9057.7 Ų57.742%0.42129%0.29SS..Hα-helixtrans-61.5-42.9178.5-64.6-60.5-14.900112.5E193 E194 S199 K200 A201E193-Q197 WeakPolarHBondContact O-CG 3.29Å; E193-Q197 PolarHBondContact O-N 3.18Å; E194-Q197 PolarHBondContact O-N 3.45Å; Q197-S199 VanDerWaalsContact C-N 3.34Å; Q197-S199 PolarHBondContact O-N 3.38Å; Q197-K200 WeakPolarHBondContact O-CB 3.39Å; Q197-K200 PolarHBondContact O-N 3.31Å; Q197-A201 PolarHBondContact O-N 2.89Å
198E97.3Very high95.7Very high112 Ų11254.4 Ų54.452%0.52327%0.272SS..Hα-helixtrans-59.5-44.3174.5-175-165.9175.700111.5E194 F196 K200 L202E194-E198 WeakPolarHBondContact O-CB 3.28Å; E194-E198 PolarHBondContact O-N 2.99Å; F196-E198 PolarHBondContact O-N 3.29Å; E198-K200 VanDerWaalsContact C-N 3.3Å; E198-K200 PolarHBondContact O-N 3.01Å; E198-L202 HydrophobicContact CG-CD1 4.44Å; E198-L202 VanDerWaalsContact O-CG 3.31Å; E198-L202 WeakPolarHBondContact O-CG 3.46Å; E198-L202 PolarHBondContact O-N 3.49Å; E198-L202 VanDerWaalsContact O-N 3.1Å
199S97.4Very high96.1Very high3 Ų354.5 Ų54.52%0.02128%0.275CS..Hα-helixtrans-70.8-29.3179.1-58.50000112.3R164 K195 F196 Q197 A203R164-S199 WeakPolarHBondContact CG-OG 3.4Å; K195-S199 WeakPolarHBondContact O-CB 3.48Å; K195-S199 PolarHBondContact O-N 3.04Å; K195-S199 PolarHBondContact O-OG 2.68Å; F196-S199 PolarHBondContact O-N 3.05Å; F196-S199 VanDerWaalsContact O-N 3.17Å; Q197-S199 VanDerWaalsContact C-N 3.34Å; Q197-S199 PolarHBondContact O-N 3.38Å; S199-A203 WeakPolarHBondContact O-CB 3.48Å; S199-A203 PolarHBondContact O-N 3.31Å; S199-A203 VanDerWaalsContact O-N 3.12Å
200K97.5Very high96.5Very high32 Ų3253.1 Ų53.114%0.13927%0.268CS..Hα-helixtrans-67.1-52.9175.2-174.4-164.3170.3-144.20110L29 D30 Y33 L161 F196 Q197 E198 L202 A203 E204L29-K200 HydrophobicContact CD2-CD 4.24Å; L29-K200 HydrophobicContact CD2-CG 4.28Å; D30-K200 WeakPolarHBondContact OD2-CE 3.44Å; D30-K200 IonicContact OD2-NZ 2.58Å; D30-K200 PolarHBondContact OD2-NZ 2.77Å; Y33-K200 HydrophobicContact CD2-CG 4.17Å; Y33-K200 HydrophobicContact CE2-CG 4.24Å; L161-K200 HydrophobicContact CD1-CB 3.76Å; L161-K200 HydrophobicContact CD1-CG 4.47Å; L161-K200 HydrophobicContact CD2-CB 4.38Å; L161-K200 HydrophobicContact CD2-CG 4.38Å; F196-K200 WeakPolarHBondContact O-CB 3.04Å; F196-K200 PolarHBondContact O-N 3.33Å; Q197-K200 WeakPolarHBondContact O-CB 3.39Å; Q197-K200 PolarHBondContact O-N 3.31Å; E198-K200 VanDerWaalsContact C-N 3.3Å; E198-K200 PolarHBondContact O-N 3.01Å; K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 3.38Å; K200-A203 PolarHBondContact O-N 3.23Å; K200-A203 VanDerWaalsContact O-N 3.11Å; K200-E204 VanDerWaalsContact O-CB 3.31Å; K200-E204 WeakPolarHBondContact O-CB 3.42Å; K200-E204 PolarHBondContact O-N 3.21Å
201A97.1Very high96.7Very high55 Ų5549 Ų4946%0.45525%0.251SS..Hα-helixtrans-57.4-40.4178.500000112.2Q197 Q205Q197-A201 PolarHBondContact O-N 2.89Å; A201-Q205 WeakPolarHBondContact O-CB 3.38Å; A201-Q205 PolarHBondContact O-N 3.45Å
202L97.7Very high96.8Very high72 Ų7251.7 Ų51.738%0.37726%0.264SS..Hα-helixtrans-65.8-42.8175.9-71.8172.1000112.9E198 K200 A206E198-L202 HydrophobicContact CG-CD1 4.44Å; E198-L202 VanDerWaalsContact O-CG 3.31Å; E198-L202 WeakPolarHBondContact O-CG 3.46Å; E198-L202 PolarHBondContact O-N 3.49Å; E198-L202 VanDerWaalsContact O-N 3.1Å; K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 3.38Å; L202-A206 WeakPolarHBondContact O-CB 3.5Å; L202-A206 PolarHBondContact O-N 3.32Å; L202-A206 VanDerWaalsContact O-N 3.07Å
203A97.9Very high96.8Very high0 Ų052.5 Ų52.50%027%0.27CS..Hα-helixtrans-66.3-44.7178.100000111.3Y33 H157 L161 S199 K200 A206 M207Y33-A203 HydrophobicContact CE2-CB 4.17Å; Y33-A203 WeakPolarHBondContact OH-CB 3.4Å; H157-A203 HydrophobicContact CB-CB 3.87Å; L161-A203 HydrophobicContact CD2-CB 4.29Å; S199-A203 WeakPolarHBondContact O-CB 3.48Å; S199-A203 PolarHBondContact O-N 3.31Å; S199-A203 VanDerWaalsContact O-N 3.12Å; K200-A203 PolarHBondContact O-N 3.23Å; K200-A203 VanDerWaalsContact O-N 3.11Å; A203-A206 PolarHBondContact O-N 2.98Å; A203-M207 VanDerWaalsContact O-CG 3.3Å; A203-M207 WeakPolarHBondContact O-CG 3.48Å; A203-M207 PolarHBondContact O-N 2.93Å
204E97.3Very high96.8Very high36 Ų3654.5 Ų54.517%0.16828%0.279CS..Hα-helixtrans-61.8-48.7177.4-173.7168.6-159.800111.7Y33 K200 A206 M207 I208Y33-E204 HydrophobicContact CD2-CB 4.04Å; Y33-E204 HydrophobicContact CD2-CG 4.37Å; Y33-E204 HydrophobicContact CE2-CB 4.13Å; K200-E204 VanDerWaalsContact O-CB 3.31Å; K200-E204 WeakPolarHBondContact O-CB 3.42Å; K200-E204 PolarHBondContact O-N 3.21Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 3.33Å; E204-M207 PolarHBondContact O-N 3.44Å; E204-I208 HydrophobicContact CG-CD1 3.84Å; E204-I208 WeakPolarHBondContact O-CB 3.38Å; E204-I208 WeakPolarHBondContact O-CG1 3.34Å; E204-I208 PolarHBondContact O-N 3.17Å
205Q97.5Very high96.9Very high102 Ų10254.4 Ų54.448%0.47729%0.286SS..Hα-helixtrans-59.8-42.3176.6-173.266.859.900112.1A201 I208 N209A201-Q205 WeakPolarHBondContact O-CB 3.38Å; A201-Q205 PolarHBondContact O-N 3.45Å; Q205-I208 PolarHBondContact O-N 3.45Å; Q205-N209 PolarHBondContact NE2-OD1 2.96Å; Q205-N209 VanDerWaalsContact O-CB 3.29Å; Q205-N209 WeakPolarHBondContact O-CB 3.37Å; Q205-N209 PolarHBondContact O-N 3.42Å; Q205-N209 PolarHBondContact O-ND2 2.94Å; Q205-N209 PolarHBondContact O-OD1 3.13Å
206A97.9Very high96.8Very high21 Ų2155.8 Ų55.817%0.17430%0.296CS..Hα-helixtrans-63.6-43.4177.900000111.7I154 L202 A203 E204 F210I154-A206 HydrophobicContact CG1-CB 3.97Å; L202-A206 WeakPolarHBondContact O-CB 3.5Å; L202-A206 PolarHBondContact O-N 3.32Å; L202-A206 VanDerWaalsContact O-N 3.07Å; A203-A206 PolarHBondContact O-N 2.98Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 3.33Å; A206-F210 WeakPolarHBondContact O-CB 3.3Å; A206-F210 PolarHBondContact O-N 3.05Å; A206-F210 VanDerWaalsContact O-N 3.12Å
207M98.2Very high96.7Very high0 Ų057.1 Ų57.10%030%0.303CS..Hα-helixtrans-66.4-43.7176.9-68.2-173.6-60.300112.2Y33 I36 E37 V40 I154 R158 A203 E204 F210 L211Y33-M207 HydrophobicContact CD1-CE 4.41Å; Y33-M207 HydrophobicContact CD2-CE 4Å; Y33-M207 HydrophobicContact CE1-CE 3.91Å; Y33-M207 HydrophobicContact CE2-CE 3.48Å; Y33-M207 VanDerWaalsContact CE2-CE 3.48Å; Y33-M207 HydrophobicContact CG-CE 4.43Å; Y33-M207 VanDerWaalsContact CZ-CE 3.41Å; I36-M207 HydrophobicContact CG2-CB 3.39Å; I36-M207 HydrophobicContact CG2-CE 3.88Å; I36-M207 HydrophobicContact CG2-CG 4.31Å; I36-M207 HydrophobicContact CG2-SD 4.12Å; E37-M207 HydrophobicContact CB-CE 4.47Å; E37-M207 HydrophobicContact CB-SD 4.12Å; V40-M207 HydrophobicContact CG2-CB 3.82Å; V40-M207 HydrophobicContact CG2-CG 3.9Å; V40-M207 HydrophobicContact CG2-SD 4.29Å; I154-M207 HydrophobicContact CG2-CG 3.6Å; I154-M207 HydrophobicContact CG2-SD 4.4Å; R158-M207 HydrophobicContact CG-SD 4.4Å; A203-M207 VanDerWaalsContact O-CG 3.3Å; A203-M207 WeakPolarHBondContact O-CG 3.48Å; A203-M207 PolarHBondContact O-N 2.93Å; E204-M207 PolarHBondContact O-N 3.44Å; M207-F210 PolarHBondContact O-N 3.31Å; M207-L211 WeakPolarHBondContact O-CG 3.3Å; M207-L211 PolarHBondContact O-N 2.94Å
208I97.3Very high96.8Very high49 Ų4957.4 Ų57.425%0.25131%0.31SS..Hα-helixtrans-63.6-43.8177.5-69.9170.2000111I36 E204 Q205 F210 L211 N212I36-I208 HydrophobicContact CD1-CD1 3.95Å; I36-I208 HydrophobicContact CD1-CG1 3.75Å; E204-I208 HydrophobicContact CG-CD1 3.84Å; E204-I208 WeakPolarHBondContact O-CB 3.38Å; E204-I208 WeakPolarHBondContact O-CG1 3.34Å; E204-I208 PolarHBondContact O-N 3.17Å; Q205-I208 PolarHBondContact O-N 3.45Å; I208-F210 VanDerWaalsContact C-N 3.29Å; I208-F210 PolarHBondContact O-N 3.07Å; I208-L211 PolarHBondContact O-N 3.07Å; I208-N212 WeakPolarHBondContact CG2-ND2 3.29Å; I208-N212 WeakPolarHBondContact O-CB 3.49Å; I208-N212 PolarHBondContact O-N 2.96Å; I208-N212 PolarHBondContact O-ND2 3.18Å
209N96.6Very high96.8Very high89 Ų8956.2 Ų56.248%0.47631%0.305SS..Hα-helixtrans-59-42.6177.1-74.2-9000111.7Q205 N212 S213Q205-N209 PolarHBondContact NE2-OD1 2.96Å; Q205-N209 VanDerWaalsContact O-CB 3.29Å; Q205-N209 WeakPolarHBondContact O-CB 3.37Å; Q205-N209 PolarHBondContact O-N 3.42Å; Q205-N209 PolarHBondContact O-ND2 2.94Å; Q205-N209 PolarHBondContact O-OD1 3.13Å; N209-N212 PolarHBondContact O-N 3.07Å; N209-S213 PolarHBondContact O-N 3.21Å
210F97.3Very high96.8Very high2 Ų256.8 Ų56.81%0.00931%0.309CS..Hα-helixtrans-65.5-43.2174.7164.9-98.8000112.5V40 I43 V146 L151 I154 A206 M207 I208 N212 S213V40-F210 HydrophobicContact CB-CE1 4.4Å; V40-F210 HydrophobicContact CG1-CD1 4.24Å; V40-F210 HydrophobicContact CG1-CE1 4.09Å; V40-F210 HydrophobicContact CG2-CD1 3.83Å; V40-F210 HydrophobicContact CG2-CE1 4.12Å; I43-F210 HydrophobicContact CB-CE1 4.17Å; I43-F210 HydrophobicContact CB-CZ 4.08Å; I43-F210 HydrophobicContact CD1-CE1 4Å; I43-F210 HydrophobicContact CD1-CZ 4.42Å; I43-F210 HydrophobicContact CG2-CE1 4.15Å; I43-F210 HydrophobicContact CG2-CZ 3.59Å; V146-F210 HydrophobicContact CG1-CD2 4.11Å; V146-F210 HydrophobicContact CG1-CE2 3.55Å; L151-F210 HydrophobicContact CD2-CD2 4.44Å; L151-F210 HydrophobicContact CD2-CE1 4.09Å; L151-F210 HydrophobicContact CD2-CE2 3.94Å; L151-F210 HydrophobicContact CD2-CZ 3.73Å; L151-F210 HydrophobicContact CG-CE2 4.39Å; L151-F210 HydrophobicContact CG-CZ 4.5Å; I154-F210 HydrophobicContact CD1-CB 3.57Å; I154-F210 HydrophobicContact CD1-CD1 4.13Å; I154-F210 HydrophobicContact CD1-CD2 4.37Å; I154-F210 HydrophobicContact CD1-CG 3.77Å; A206-F210 WeakPolarHBondContact O-CB 3.3Å; A206-F210 PolarHBondContact O-N 3.05Å; A206-F210 VanDerWaalsContact O-N 3.12Å; M207-F210 PolarHBondContact O-N 3.31Å; I208-F210 VanDerWaalsContact C-N 3.29Å; I208-F210 PolarHBondContact O-N 3.07Å; F210-N212 PolarHBondContact O-N 3.42Å; F210-S213 PolarHBondContact O-N 3.1Å; F210-S213 VanDerWaalsContact O-N 3.08Å; F210-S213 PolarHBondContact O-OG 3.2Å
211L96.9Very high96.9Very high34 Ų3459.9 Ų59.918%0.17833%0.326CS..Hα-helixtrans-65.2-29.5175.9-67.1-178.2000112.4I36 K39 V40 I43 M207 I208 S213I36-L211 HydrophobicContact CB-CD1 4.47Å; I36-L211 HydrophobicContact CG1-CD1 4.48Å; I36-L211 HydrophobicContact CG2-CD1 3.92Å; K39-L211 HydrophobicContact CB-CD1 4.08Å; K39-L211 HydrophobicContact CB-CD2 4.01Å; K39-L211 HydrophobicContact CD-CD1 4.08Å; V40-L211 HydrophobicContact CG2-CD1 4.49Å; V40-L211 HydrophobicContact CG2-CD2 4.11Å; V40-L211 HydrophobicContact CG2-CG 4.17Å; I43-L211 HydrophobicContact CD1-CD2 3.54Å; M207-L211 WeakPolarHBondContact O-CG 3.3Å; M207-L211 PolarHBondContact O-N 2.94Å; I208-L211 PolarHBondContact O-N 3.07Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 3.46Å
212N95.9Very high96.9Very high112 Ų11261.5 Ų61.560%0.59933%0.327SS*.THydrogen-bonded Turntrans-77.3-9.6175.1-69.8-25.3000113.4I208 N209 F210 E214I208-N212 WeakPolarHBondContact CG2-ND2 3.29Å; I208-N212 WeakPolarHBondContact O-CB 3.49Å; I208-N212 PolarHBondContact O-N 2.96Å; I208-N212 PolarHBondContact O-ND2 3.18Å; N209-N212 PolarHBondContact O-N 3.07Å; F210-N212 PolarHBondContact O-N 3.42Å; N212-E214 PolarHBondContact O-N 2.64Å
213S94Very high97Very high20 Ų2060.5 Ų60.514%0.1432%0.32CS..THydrogen-bonded Turntrans-85.815.3174.472.20000113.2N209 F210 L211 T215 D216 Q217N209-S213 PolarHBondContact O-N 3.21Å; F210-S213 PolarHBondContact O-N 3.1Å; F210-S213 VanDerWaalsContact O-N 3.08Å; F210-S213 PolarHBondContact O-OG 3.2Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 3.46Å; S213-T215 PolarHBondContact O-N 3.01Å; S213-D216 WeakPolarHBondContact O-CB 3.49Å; S213-D216 PolarHBondContact O-N 3.4Å; S213-Q217 VanDerWaalsContact O-CD 3.3Å; S213-Q217 PolarHBondContact O-NE2 2.8Å; S213-Q217 PolarHBondContact O-OE1 3.25Å; S213-Q217 PolarHBondContact OG-NE2 3.32Å
214E94.7Very high97Very high129 Ų12962.4 Ų62.460%0.60333%0.329SS*.Hα-helixtrans-53.8-28.3179.470177.1154.600114.5N212 D216 Q217 V218N212-E214 PolarHBondContact O-N 2.64Å; E214-D216 VanDerWaalsContact C-N 3.31Å; E214-D216 PolarHBondContact O-N 3.35Å; E214-Q217 PolarHBondContact O-N 3.43Å; E214-V218 VanDerWaalsContact O-CG2 3.31Å; E214-V218 WeakPolarHBondContact O-CG2 3.43Å; E214-V218 PolarHBondContact O-N 3.4Å
215T96.6Very high97.1Very high103 Ų10364.4 Ų64.463%0.63234%0.343SS*.Hα-helixtrans-62.5-38176.1-59.20000111.9S213 V218 Q219S213-T215 PolarHBondContact O-N 3.01Å; T215-V218 PolarHBondContact O-N 2.87Å; T215-Q219 PolarHBondContact O-N 3.19Å
216D95.9Very high97.1Very high106 Ų10662.1 Ų62.157%0.56734%0.337SS*.Hα-helixtrans-69.4-38.6178.1-63.6-29.2000110.8S213 E214 Q219 S220S213-D216 WeakPolarHBondContact O-CB 3.49Å; S213-D216 PolarHBondContact O-N 3.4Å; E214-D216 VanDerWaalsContact C-N 3.31Å; E214-D216 PolarHBondContact O-N 3.35Å; D216-Q219 WeakPolarHBondContact O-CB 3.39Å; D216-Q219 PolarHBondContact O-N 3.01Å; D216-S220 PolarHBondContact O-N 3.32Å; D216-S220 PolarHBondContact O-OG 3.1Å
217Q94.1Very high97.1Very high32 Ų3261.5 Ų61.515%0.1533%0.331CS..Hα-helixtrans-64.2-42.3174.1-72.698.866.200112.4F47 S213 E214 Q219 S220 L221F47-Q217 HydrophobicContact CE1-CG 4.29Å; F47-Q217 HydrophobicContact CZ-CG 3.64Å; S213-Q217 VanDerWaalsContact O-CD 3.3Å; S213-Q217 PolarHBondContact O-NE2 2.8Å; S213-Q217 PolarHBondContact O-OE1 3.25Å; S213-Q217 PolarHBondContact OG-NE2 3.32Å; E214-Q217 PolarHBondContact O-N 3.43Å; Q217-Q219 VanDerWaalsContact C-N 3.3Å; Q217-Q219 PolarHBondContact O-N 3.33Å; Q217-S220 PolarHBondContact O-N 3.49Å; Q217-L221 PolarHBondContact O-N 3.4Å; Q217-L221 VanDerWaalsContact O-N 3.08Å
218V97.6Very high97.1Very high96 Ų9662.4 Ų62.458%0.58234%0.335SS*.Hα-helixtrans-62.4-39.9174.1171.40000110.5E214 T215 L221 L222E214-V218 VanDerWaalsContact O-CG2 3.31Å; E214-V218 WeakPolarHBondContact O-CG2 3.43Å; E214-V218 PolarHBondContact O-N 3.4Å; T215-V218 PolarHBondContact O-N 2.87Å; V218-L221 PolarHBondContact O-N 3.39Å; V218-L222 PolarHBondContact O-N 3.22Å
219Q98.1Very high97.2Very high88 Ų8862.9 Ų62.941%0.41135%0.346SS..Hα-helixtrans-62.2-45.7175.4-174.56139.900111.6T215 D216 Q217 L221 L222 E223T215-Q219 PolarHBondContact O-N 3.19Å; D216-Q219 WeakPolarHBondContact O-CB 3.39Å; D216-Q219 PolarHBondContact O-N 3.01Å; Q217-Q219 VanDerWaalsContact C-N 3.3Å; Q217-Q219 PolarHBondContact O-N 3.33Å; Q219-L221 VanDerWaalsContact C-N 3.28Å; Q219-L221 PolarHBondContact O-N 3.03Å; Q219-L222 WeakPolarHBondContact O-CB 3.36Å; Q219-L222 PolarHBondContact O-N 3.06Å; Q219-L222 VanDerWaalsContact O-N 3.11Å; Q219-E223 PolarHBondContact NE2-OE1 2.92Å; Q219-E223 WeakPolarHBondContact O-CG 3.41Å; Q219-E223 PolarHBondContact O-N 2.9Å
220S97.4Very high97.3Very high15 Ų1561.8 Ų61.811%0.10534%0.341CS..Hα-helixtrans-58.9-40175.6-610000112.1F139 D216 Q217 E223 F224F139-S220 WeakPolarHBondContact CD2-O 3.46Å; D216-S220 PolarHBondContact O-N 3.32Å; D216-S220 PolarHBondContact O-OG 3.1Å; Q217-S220 PolarHBondContact O-N 3.49Å; S220-E223 PolarHBondContact O-N 3.48Å; S220-F224 PolarHBondContact O-N 2.84Å
221L98Very high97.3Very high96 Ų9663.1 Ų63.150%0.50335%0.346SS..Hα-helixtrans-67-35.8175.8-175.761.4000112.6Q217 V218 Q219 F224 T225Q217-L221 PolarHBondContact O-N 3.4Å; Q217-L221 VanDerWaalsContact O-N 3.08Å; V218-L221 PolarHBondContact O-N 3.39Å; Q219-L221 VanDerWaalsContact C-N 3.28Å; Q219-L221 PolarHBondContact O-N 3.03Å; L221-F224 HydrophobicContact CD1-CD1 4.42Å; L221-F224 PolarHBondContact O-N 2.97Å; L221-T225 WeakPolarHBondContact O-CB 3.28Å; L221-T225 PolarHBondContact O-N 2.9Å; L221-T225 PolarHBondContact O-OG1 3.12Å
222L98.5Very high97.4Very high89 Ų8966.7 Ų66.747%0.46636%0.361SS..Hα-helixtrans-63.9-43.5173175.961.6000111.3V218 Q219 T225 T226V218-L222 PolarHBondContact O-N 3.22Å; Q219-L222 WeakPolarHBondContact O-CB 3.36Å; Q219-L222 PolarHBondContact O-N 3.06Å; Q219-L222 VanDerWaalsContact O-N 3.11Å; L222-T225 PolarHBondContact O-N 3.46Å; L222-T226 VanDerWaalsContact O-CB 3.28Å; L222-T226 WeakPolarHBondContact O-CB 3.49Å; L222-T226 PolarHBondContact O-N 3.27Å; L222-T226 PolarHBondContact O-OG1 3.16Å
223E98.5Very high97.6Very high51 Ų5167 Ų6724%0.23835%0.354CS..Hα-helixtrans-61.2-44175.8-68.6-60.9155.600111.9H134 N138 Q219 S220 T226 S227H134-E223 IonicContact CE1-OE2 2.81Å; H134-E223 IonicContact NE2-OE2 3.9Å; H134-E223 PolarHBondContact NE2-OE2 3.16Å; N138-E223 HydrophobicContact CB-CB 3.79Å; N138-E223 HydrophobicContact CB-CG 3.97Å; Q219-E223 PolarHBondContact NE2-OE1 2.92Å; Q219-E223 WeakPolarHBondContact O-CG 3.41Å; Q219-E223 PolarHBondContact O-N 2.9Å; S220-E223 PolarHBondContact O-N 3.48Å; E223-T226 PolarHBondContact O-N 3.26Å; E223-S227 WeakPolarHBondContact O-CB 3.48Å; E223-S227 PolarHBondContact O-N 3.37Å
224F98.5Very high97.8Very high40 Ų4069.2 Ų69.218%0.17536%0.362CS..Hα-helixtrans-57.6-51.4173.9175.3-111000111.5T54 Y57 V135 F139 S220 L221 T226 S227 Q228T54-F224 HydrophobicContact CG2-CE2 4.13Å; Y57-F224 HydrophobicContact CD1-CE2 4.48Å; Y57-F224 HydrophobicContact CD1-CZ 4.38Å; Y57-F224 HydrophobicContact CE1-CE2 4.23Å; Y57-F224 HydrophobicContact CE1-CZ 4.12Å; V135-F224 HydrophobicContact CB-CD2 4.48Å; V135-F224 HydrophobicContact CG1-CD2 3.74Å; V135-F224 HydrophobicContact CG1-CE2 4.06Å; V135-F224 HydrophobicContact CG2-CD2 3.88Å; V135-F224 HydrophobicContact CG2-CE2 4.24Å; F139-F224 HydrophobicContact CB-CB 4.05Å; F139-F224 HydrophobicContact CD1-CB 3.96Å; F139-F224 AromaticContact CD1-CD2 3.76Å; F139-F224 HydrophobicContact CD1-CD2 3.76Å; F139-F224 AromaticContact CD1-CG 3.99Å; F139-F224 HydrophobicContact CD1-CG 3.99Å; F139-F224 HydrophobicContact CD2-CB 3.86Å; F139-F224 HydrophobicContact CE1-CB 4.31Å; F139-F224 HydrophobicContact CE1-CD2 4.02Å; F139-F224 HydrophobicContact CE1-CG 4.06Å; F139-F224 HydrophobicContact CE2-CB 4.22Å; F139-F224 HydrophobicContact CG-CB 3.71Å; F139-F224 HydrophobicContact CG-CD2 4.33Å; F139-F224 HydrophobicContact CG-CG 4.26Å; F139-F224 HydrophobicContact CZ-CB 4.42Å; F139-F224 HydrophobicContact CZ-CG 4.4Å; S220-F224 PolarHBondContact O-N 2.84Å; L221-F224 HydrophobicContact CD1-CD1 4.42Å; L221-F224 PolarHBondContact O-N 2.97Å; F224-T226 VanDerWaalsContact C-N 3.34Å; F224-T226 PolarHBondContact O-N 2.91Å; F224-S227 PolarHBondContact O-N 3.4Å; F224-Q228 HydrophobicContact CE1-CG 4.39Å; F224-Q228 HydrophobicContact CE2-CG 4.2Å; F224-Q228 HydrophobicContact CZ-CG 4.09Å; F224-Q228 WeakPolarHBondContact O-CG 3.44Å; F224-Q228 PolarHBondContact O-N 3.05Å; F224-Q228 VanDerWaalsContact O-N 3.1Å
225T98.5Very high98Very high78 Ų7863.8 Ų63.848%0.47934%0.34SS..Hα-helixtrans-64.8-38.6-177.5-54.40000112L221 L222 Q228 A229L221-T225 WeakPolarHBondContact O-CB 3.28Å; L221-T225 PolarHBondContact O-N 2.9Å; L221-T225 PolarHBondContact O-OG1 3.12Å; L222-T225 PolarHBondContact O-N 3.46Å; T225-Q228 PolarHBondContact O-N 3.46Å; T225-A229 PolarHBondContact O-N 3.19Å
226T98.4Very high98.1Very high55 Ų5561.9 Ų61.934%0.33733%0.334SS..Hα-helixtrans-65.1-46.4177.8-58.90000110.7L222 E223 F224 Q228 A229 D230L222-T226 VanDerWaalsContact O-CB 3.28Å; L222-T226 WeakPolarHBondContact O-CB 3.49Å; L222-T226 PolarHBondContact O-N 3.27Å; L222-T226 PolarHBondContact O-OG1 3.16Å; E223-T226 PolarHBondContact O-N 3.26Å; F224-T226 VanDerWaalsContact C-N 3.34Å; F224-T226 PolarHBondContact O-N 2.91Å; T226-Q228 VanDerWaalsContact C-N 3.3Å; T226-Q228 PolarHBondContact O-N 3.15Å; T226-A229 PolarHBondContact O-N 2.91Å; T226-D230 PolarHBondContact O-N 3.01Å
227S98.1Very high98.2Very high7 Ų761.3 Ų61.35%0.04933%0.328CS..Hα-helixtrans-57.3-41.7174.9-172.80000112.6M131 E223 F224 Y231M131-S227 WeakPolarHBondContact CG-OG 3.43Å; M131-S227 PolarHBondContact O-OG 3.49Å; E223-S227 WeakPolarHBondContact O-CB 3.48Å; E223-S227 PolarHBondContact O-N 3.37Å; F224-S227 PolarHBondContact O-N 3.4Å; S227-Y231 WeakPolarHBondContact O-CB 3.43Å; S227-Y231 PolarHBondContact O-N 3.47Å
228Q98.4Very high98.4Very high19 Ų1961.2 Ų61.29%0.08933%0.328CS..Hα-helixtrans-65.1-45.8175.1-66-49-3700112.7Y57 M131 F224 T225 T226 D230 Y231 H232Y57-Q228 VanDerWaalsContact OH-CD 3.25Å; Y57-Q228 PolarHBondContact OH-OE1 2.9Å; M131-Q228 PolarHBondContact SD-NE2 2.97Å; M131-Q228 VanDerWaalsContact SD-NE2 3.37Å; F224-Q228 HydrophobicContact CE1-CG 4.39Å; F224-Q228 HydrophobicContact CE2-CG 4.2Å; F224-Q228 HydrophobicContact CZ-CG 4.09Å; F224-Q228 WeakPolarHBondContact O-CG 3.44Å; F224-Q228 PolarHBondContact O-N 3.05Å; F224-Q228 VanDerWaalsContact O-N 3.1Å; T225-Q228 PolarHBondContact O-N 3.46Å; T226-Q228 VanDerWaalsContact C-N 3.3Å; T226-Q228 PolarHBondContact O-N 3.15Å; Q228-D230 VanDerWaalsContact C-N 3.33Å; Q228-D230 PolarHBondContact O-N 3.41Å; Q228-Y231 PolarHBondContact O-N 3.19Å; Q228-H232 PolarHBondContact O-CD2 3.37Å; Q228-H232 PolarHBondContact O-N 2.91Å
229A98.6Very high98.5Very high59 Ų5960.4 Ų60.449%0.48832%0.319SS..Hα-helixtrans-60.3-44.2178.400000111.6T225 T226 R233T225-A229 PolarHBondContact O-N 3.19Å; T226-A229 PolarHBondContact O-N 2.91Å; A229-R233 VanDerWaalsContact O-CB 3.29Å; A229-R233 WeakPolarHBondContact O-CB 3.4Å; A229-R233 PolarHBondContact O-N 3.5Å
230D98.5Very high98.5Very high66 Ų6660.6 Ų60.635%0.35332%0.32SS..Hα-helixtrans-67.7-39.7178.3-85.2-36.4000113.2T226 Q228 R233 Q234T226-D230 PolarHBondContact O-N 3.01Å; Q228-D230 VanDerWaalsContact C-N 3.33Å; Q228-D230 PolarHBondContact O-N 3.41Å; D230-R233 IonicContact OD1-CZ 2.71Å; D230-R233 IonicContact OD1-NE 3.57Å; D230-R233 IonicContact OD1-NH2 3.62Å; D230-R233 PolarHBondContact OD1-NH2 3.08Å; D230-Q234 WeakPolarHBondContact O-CB 3.23Å; D230-Q234 VanDerWaalsContact O-CG 3.3Å; D230-Q234 WeakPolarHBondContact O-CG 3.36Å; D230-Q234 PolarHBondContact O-N 3.44Å; D230-Q234 PolarHBondContact O-NE2 3.27Å; D230-Q234 VanDerWaalsContact O-NE2 3.11Å
231Y98.6Very high98.5Very high31 Ų3166.5 Ų66.512%0.12235%0.346CS..Hα-helixtrans-59.5-51.9173.7167.5-109.9000111.3I127 K128 M131 S227 Q228 R233 Q234 A235I127-Y231 HydrophobicContact CB-CD2 4.48Å; I127-Y231 HydrophobicContact CD1-CD2 3.93Å; I127-Y231 HydrophobicContact CD1-CE2 3.99Å; I127-Y231 HydrophobicContact CG1-CD2 4.04Å; I127-Y231 HydrophobicContact CG1-CE2 4Å; K128-Y231 HydrophobicContact CB-CE2 4.06Å; K128-Y231 HydrophobicContact CD-CE2 3.97Å; M131-Y231 HydrophobicContact CB-CD2 4.13Å; M131-Y231 HydrophobicContact CB-CG 4.15Å; M131-Y231 HydrophobicContact CE-CD1 3.65Å; M131-Y231 HydrophobicContact CE-CD2 4.11Å; M131-Y231 HydrophobicContact CE-CE1 3.89Å; M131-Y231 HydrophobicContact CE-CE2 4.33Å; M131-Y231 HydrophobicContact CE-CG 3.77Å; M131-Y231 HydrophobicContact CG-CG 4.12Å; S227-Y231 WeakPolarHBondContact O-CB 3.43Å; S227-Y231 PolarHBondContact O-N 3.47Å; Q228-Y231 PolarHBondContact O-N 3.19Å; Y231-R233 PolarHBondContact O-N 2.83Å; Y231-Q234 PolarHBondContact O-N 3.25Å; Y231-A235 VanDerWaalsContact O-CB 3.29Å; Y231-A235 WeakPolarHBondContact O-CB 3.46Å; Y231-A235 PolarHBondContact O-N 3.15Å
232H98.7Very high98.5Very high108 Ų10862.4 Ų62.450%0.532%0.324SS..Hα-helixtrans-66.6-37.5-177.7-75.6-58.8000112.7Q228 A235 A236Q228-H232 PolarHBondContact O-CD2 3.37Å; Q228-H232 PolarHBondContact O-N 2.91Å; H232-A235 PolarHBondContact O-N 2.98Å; H232-A236 WeakPolarHBondContact O-CB 3.26Å; H232-A236 PolarHBondContact O-N 2.75Å
233R98.7Very high98.5Very high118 Ų11864.3 Ų64.345%0.44533%0.325SS..Hα-helixtrans-62.1-49.8174.7-176.7-176.957.572.42111.3A229 D230 Y231 A235 A236 E237A229-R233 VanDerWaalsContact O-CB 3.29Å; A229-R233 WeakPolarHBondContact O-CB 3.4Å; A229-R233 PolarHBondContact O-N 3.5Å; D230-R233 IonicContact OD1-CZ 2.71Å; D230-R233 IonicContact OD1-NE 3.57Å; D230-R233 IonicContact OD1-NH2 3.62Å; D230-R233 PolarHBondContact OD1-NH2 3.08Å; Y231-R233 PolarHBondContact O-N 2.83Å; R233-A235 PolarHBondContact O-N 3.23Å; R233-A236 PolarHBondContact O-N 2.89Å; R233-E237 WeakPolarHBondContact CG-OE1 3.41Å; R233-E237 IonicContact CZ-OE1 2.77Å; R233-E237 IonicContact NH1-OE1 3.55Å; R233-E237 PolarHBondContact NH1-OE1 3.41Å; R233-E237 IonicContact NH1-OE2 3.44Å; R233-E237 WeakPolarHBondContact O-CG 3.37Å; R233-E237 PolarHBondContact O-N 3.26Å
234Q98.6Very high98.5Very high68 Ų6868.2 Ų68.232%0.31834%0.342SS..Hα-helixtrans-63.3-41.1177.6-73.1174.783.900112I127 D230 Y231 A236 E237 I238I127-Q234 HydrophobicContact CD1-CB 3.95Å; I127-Q234 HydrophobicContact CG2-CB 4.38Å; D230-Q234 WeakPolarHBondContact O-CB 3.23Å; D230-Q234 VanDerWaalsContact O-CG 3.3Å; D230-Q234 WeakPolarHBondContact O-CG 3.36Å; D230-Q234 PolarHBondContact O-N 3.44Å; D230-Q234 PolarHBondContact O-NE2 3.27Å; D230-Q234 VanDerWaalsContact O-NE2 3.11Å; Y231-Q234 PolarHBondContact O-N 3.25Å; Q234-A236 VanDerWaalsContact C-N 3.33Å; Q234-A236 PolarHBondContact O-N 3.42Å; Q234-E237 PolarHBondContact O-N 3.28Å; Q234-I238 WeakPolarHBondContact O-CB 3.41Å; Q234-I238 VanDerWaalsContact O-CG1 3.28Å; Q234-I238 WeakPolarHBondContact O-CG1 3.33Å; Q234-I238 PolarHBondContact O-N 3.02Å
235A98.7Very high98.5Very high15 Ų1569 Ų6912%0.12435%0.345CS..Hα-helixtrans-60.5-42.9176.400000111.6L124 I127 Y231 H232 R233 I238 M239L124-A235 HydrophobicContact CD2-CB 3.9Å; I127-A235 HydrophobicContact CD1-CB 3.76Å; Y231-A235 VanDerWaalsContact O-CB 3.29Å; Y231-A235 WeakPolarHBondContact O-CB 3.46Å; Y231-A235 PolarHBondContact O-N 3.15Å; H232-A235 PolarHBondContact O-N 2.98Å; R233-A235 PolarHBondContact O-N 3.23Å; A235-I238 PolarHBondContact O-N 3.38Å; A235-M239 WeakPolarHBondContact O-CB 3.48Å; A235-M239 VanDerWaalsContact O-CG 3.27Å; A235-M239 WeakPolarHBondContact O-CG 3.48Å; A235-M239 PolarHBondContact O-N 2.71Å
236A98.7Very high98.5Very high62 Ų6268.3 Ų68.351%0.51234%0.338SS..Hα-helixtrans-63.7-43.717600000112H232 R233 Q234 M239 E240H232-A236 WeakPolarHBondContact O-CB 3.26Å; H232-A236 PolarHBondContact O-N 2.75Å; R233-A236 PolarHBondContact O-N 2.89Å; Q234-A236 VanDerWaalsContact C-N 3.33Å; Q234-A236 PolarHBondContact O-N 3.42Å; A236-M239 PolarHBondContact O-N 2.93Å; A236-E240 VanDerWaalsContact O-CB 3.26Å; A236-E240 WeakPolarHBondContact O-CB 3Å; A236-E240 PolarHBondContact O-N 2.88Å
237E98.6Very high98.5Very high94 Ų9468.8 Ų68.844%0.43934%0.338SS..Hα-helixtrans-60.4-44.4176.1-72.3169.2-161.300112R233 Q234 E240 Q241R233-E237 WeakPolarHBondContact CG-OE1 3.41Å; R233-E237 IonicContact CZ-OE1 2.77Å; R233-E237 IonicContact NH1-OE1 3.55Å; R233-E237 PolarHBondContact NH1-OE1 3.41Å; R233-E237 IonicContact NH1-OE2 3.44Å; R233-E237 WeakPolarHBondContact O-CG 3.37Å; R233-E237 PolarHBondContact O-N 3.26Å; Q234-E237 PolarHBondContact O-N 3.28Å; E237-E240 PolarHBondContact O-N 2.79Å; E237-Q241 WeakPolarHBondContact O-CG 3.37Å; E237-Q241 PolarHBondContact O-N 3.11Å
238I98.6Very high98.4Very high30 Ų3072.4 Ų72.415%0.15436%0.357CS..Hα-helixtrans-63-47.5176.7-70.8167.7000110.9T120 C123 L124 I127 Q234 A235 E240 Q241 L242T120-I238 HydrophobicContact CG2-CG2 3.34Å; C123-I238 HydrophobicContact CB-CD1 4.17Å; C123-I238 HydrophobicContact CB-CG2 4.35Å; L124-I238 HydrophobicContact CD2-CB 4.18Å; L124-I238 HydrophobicContact CD2-CD1 4.32Å; L124-I238 HydrophobicContact CD2-CG2 3.9Å; L124-I238 HydrophobicContact CG-CG2 4.1Å; I127-I238 HydrophobicContact CD1-CD1 3.91Å; I127-I238 HydrophobicContact CG1-CD1 4.37Å; I127-I238 HydrophobicContact CG2-CD1 4.1Å; Q234-I238 WeakPolarHBondContact O-CB 3.41Å; Q234-I238 VanDerWaalsContact O-CG1 3.28Å; Q234-I238 WeakPolarHBondContact O-CG1 3.33Å; Q234-I238 PolarHBondContact O-N 3.02Å; A235-I238 PolarHBondContact O-N 3.38Å; I238-E240 VanDerWaalsContact C-N 3.33Å; I238-E240 PolarHBondContact O-N 3.41Å; I238-Q241 PolarHBondContact O-N 3.5Å; I238-L242 PolarHBondContact O-N 3.13Å
239M98.6Very high98.3Very high79 Ų7973.2 Ų73.239%0.38936%0.36SS..Hα-helixtrans-67.1-33.9-179.4-74-62-69.200112.8L124 A235 A236 Q241 L242 R243L124-M239 HydrophobicContact CD1-CG 4.38Å; L124-M239 HydrophobicContact CD1-SD 3.81Å; L124-M239 HydrophobicContact CD2-CG 4.44Å; A235-M239 WeakPolarHBondContact O-CB 3.48Å; A235-M239 VanDerWaalsContact O-CG 3.27Å; A235-M239 WeakPolarHBondContact O-CG 3.48Å; A235-M239 PolarHBondContact O-N 2.71Å; A236-M239 PolarHBondContact O-N 2.93Å; M239-Q241 VanDerWaalsContact C-N 3.35Å; M239-L242 PolarHBondContact O-N 3.24Å; M239-L242 HydrophobicContact SD-CD2 4.49Å; M239-R243 WeakPolarHBondContact O-CB 3.36Å; M239-R243 PolarHBondContact O-N 3.48Å
240E98.5Very high98.1Very high93 Ų9377.1 Ų77.144%0.43537%0.366SS..Hα-helixtrans-66.7-37.3176.7-178.557.1-161.600111.8A236 E237 I238 R243 K244A236-E240 VanDerWaalsContact O-CB 3.26Å; A236-E240 WeakPolarHBondContact O-CB 3Å; A236-E240 PolarHBondContact O-N 2.88Å; E237-E240 PolarHBondContact O-N 2.79Å; I238-E240 VanDerWaalsContact C-N 3.33Å; I238-E240 PolarHBondContact O-N 3.41Å; E240-R243 PolarHBondContact O-N 2.96Å; E240-R243 IonicContact OE1-CZ 3.37Å; E240-R243 IonicContact OE1-NE 2.75Å; E240-R243 IonicContact OE1-NH2 2.73Å; E240-R243 PolarHBondContact OE1-NH2 3.4Å; E240-R243 IonicContact OE2-CZ 2.78Å; E240-R243 IonicContact OE2-NE 2.64Å; E240-R243 PolarHBondContact OE2-NE 2.95Å; E240-R243 IonicContact OE2-NH2 3.62Å; E240-R243 PolarHBondContact OE2-NH2 2.98Å; E240-K244 PolarHBondContact O-N 3.29Å
241Q98.3Very high97.9Very high139 Ų13980 Ų8065%0.6538%0.377SS*.Hα-helixtrans-63.4-46.2173.5-68.8173.227.400111.6E237 I238 M239 R243 K244 F245E237-Q241 WeakPolarHBondContact O-CG 3.37Å; E237-Q241 PolarHBondContact O-N 3.11Å; I238-Q241 PolarHBondContact O-N 3.5Å; M239-Q241 VanDerWaalsContact C-N 3.35Å; Q241-R243 PolarHBondContact O-N 2.8Å; Q241-K244 PolarHBondContact O-N 2.85Å; Q241-F245 PolarHBondContact O-N 2.82Å
242L98.5Very high97.7Very high10 Ų1082 Ų825%0.05239%0.388CS..Hα-helixtrans-61.6-44.3175.1175.262000111.5E116 A117 T120 I238 M239 K244 F245 L246E116-L242 HydrophobicContact CG-CD1 4.28Å; A117-L242 HydrophobicContact CB-CD1 4.05Å; A117-L242 HydrophobicContact CB-CD2 4.09Å; T120-L242 HydrophobicContact CG2-CB 3.77Å; T120-L242 HydrophobicContact CG2-CD2 3.86Å; T120-L242 HydrophobicContact CG2-CG 4.33Å; I238-L242 PolarHBondContact O-N 3.13Å; M239-L242 PolarHBondContact O-N 3.24Å; M239-L242 HydrophobicContact SD-CD2 4.49Å; L242-K244 VanDerWaalsContact C-N 3.29Å; L242-K244 PolarHBondContact O-N 3.44Å; L242-F245 PolarHBondContact O-N 3.28Å; L242-L246 HydrophobicContact CD1-CD1 3.98Å; L242-L246 HydrophobicContact CD1-CD2 4.32Å; L242-L246 HydrophobicContact CD1-CG 3.9Å; L242-L246 HydrophobicContact CD2-CD1 4.48Å; L242-L246 HydrophobicContact CG-CD1 3.9Å; L242-L246 HydrophobicContact CG-CG 4.26Å; L242-L246 VanDerWaalsContact O-CG 3.3Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 2.73Å
243R98.5Very high97.3Very high128 Ų12878.5 Ų78.548%0.48338%0.375SS..Hα-helixtrans-56.8-45.3178-170.1-175.672.279.41.1111.1M239 E240 Q241 L246 I247M239-R243 WeakPolarHBondContact O-CB 3.36Å; M239-R243 PolarHBondContact O-N 3.48Å; E240-R243 PolarHBondContact O-N 2.96Å; E240-R243 IonicContact OE1-CZ 3.37Å; E240-R243 IonicContact OE1-NE 2.75Å; E240-R243 IonicContact OE1-NH2 2.73Å; E240-R243 PolarHBondContact OE1-NH2 3.4Å; E240-R243 IonicContact OE2-CZ 2.78Å; E240-R243 IonicContact OE2-NE 2.64Å; E240-R243 PolarHBondContact OE2-NE 2.95Å; E240-R243 IonicContact OE2-NH2 3.62Å; E240-R243 PolarHBondContact OE2-NH2 2.98Å; Q241-R243 PolarHBondContact O-N 2.8Å; R243-L246 PolarHBondContact O-N 2.96Å; R243-I247 HydrophobicContact CG-CD1 4.29Å; R243-I247 VanDerWaalsContact NH1-CD1 3.27Å; R243-I247 WeakPolarHBondContact O-CG1 3.46Å; R243-I247 PolarHBondContact O-N 3.42Å; R243-I247 VanDerWaalsContact O-N 3.1Å
244K98.3Very high96.8Very high134 Ų13479.7 Ų79.758%0.58339%0.388SS*.Hα-helixtrans-61-49.5175.9-175.6-178.2176-1750111.6E240 Q241 L242 L246 I247 D248E240-K244 PolarHBondContact O-N 3.29Å; Q241-K244 PolarHBondContact O-N 2.85Å; L242-K244 VanDerWaalsContact C-N 3.29Å; L242-K244 PolarHBondContact O-N 3.44Å; K244-L246 VanDerWaalsContact C-N 3.3Å; K244-L246 PolarHBondContact O-N 3.24Å; K244-I247 PolarHBondContact O-N 2.99Å; K244-D248 PolarHBondContact O-N 2.91Å
245F98.3Very high96.2Very high55 Ų5580.7 Ų80.724%0.24140%0.402CS..Hα-helixtrans-55.6-44.6177.6174.6-87.3000112.4E116 Q241 L242 I247 D248 K249E116-F245 HydrophobicContact CB-CD1 3.89Å; E116-F245 HydrophobicContact CB-CE1 3.41Å; E116-F245 VanDerWaalsContact CB-CE1 3.41Å; E116-F245 HydrophobicContact CB-CE2 4.38Å; E116-F245 HydrophobicContact CB-CZ 3.69Å; E116-F245 HydrophobicContact CG-CD1 3.59Å; E116-F245 HydrophobicContact CG-CD2 4Å; E116-F245 HydrophobicContact CG-CE1 3.58Å; E116-F245 HydrophobicContact CG-CE2 3.97Å; E116-F245 HydrophobicContact CG-CG 3.8Å; E116-F245 HydrophobicContact CG-CZ 3.76Å; Q241-F245 PolarHBondContact O-N 2.82Å; L242-F245 PolarHBondContact O-N 3.28Å; F245-I247 PolarHBondContact O-N 3.47Å; F245-D248 PolarHBondContact O-N 3.13Å; F245-K249 HydrophobicContact CD1-CG 4.15Å; F245-K249 HydrophobicContact CE1-CG 3.65Å; F245-K249 HydrophobicContact CE2-CG 4.22Å; F245-K249 HydrophobicContact CZ-CD 4.32Å; F245-K249 HydrophobicContact CZ-CG 3.7Å; F245-K249 WeakPolarHBondContact O-CB 3.39Å; F245-K249 PolarHBondContact O-N 3.34Å
246L98.2Very high95.1Very high64 Ų6485.1 Ų85.134%0.33542%0.418SS..Hα-helixtrans-67.3-35.5-179.4-67.7175.3000112.5C113 L242 R243 K244 K250C113-L246 HydrophobicContact CB-CD2 3.61Å; L242-L246 HydrophobicContact CD1-CD1 3.98Å; L242-L246 HydrophobicContact CD1-CD2 4.32Å; L242-L246 HydrophobicContact CD1-CG 3.9Å; L242-L246 HydrophobicContact CD2-CD1 4.48Å; L242-L246 HydrophobicContact CG-CD1 3.9Å; L242-L246 HydrophobicContact CG-CG 4.26Å; L242-L246 VanDerWaalsContact O-CG 3.3Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 2.73Å; R243-L246 PolarHBondContact O-N 2.96Å; K244-L246 VanDerWaalsContact C-N 3.3Å; K244-L246 PolarHBondContact O-N 3.24Å; L246-K250 VanDerWaalsContact O-CB 3.26Å; L246-K250 WeakPolarHBondContact O-CB 3.33Å; L246-K250 PolarHBondContact O-N 2.73Å
247I97.8Very high93.3Very high66 Ų6688 Ų8834%0.33843%0.432SS..Hα-helixtrans-63.5-51.3173.5-70.9167.1000109.8R243 K244 F245 K249 K250 E251R243-I247 HydrophobicContact CG-CD1 4.29Å; R243-I247 VanDerWaalsContact NH1-CD1 3.27Å; R243-I247 WeakPolarHBondContact O-CG1 3.46Å; R243-I247 PolarHBondContact O-N 3.42Å; R243-I247 VanDerWaalsContact O-N 3.1Å; K244-I247 PolarHBondContact O-N 2.99Å; F245-I247 PolarHBondContact O-N 3.47Å; I247-K249 VanDerWaalsContact C-N 3.32Å; I247-K249 PolarHBondContact O-N 3.24Å; I247-K250 WeakPolarHBondContact O-CB 3.35Å; I247-K250 PolarHBondContact O-N 3.47Å; I247-K250 VanDerWaalsContact O-N 3.16Å; I247-E251 WeakPolarHBondContact O-CG 3.28Å; I247-E251 PolarHBondContact O-N 3.44Å
248D96.9Very high91.5Very high83 Ų8391.5 Ų91.544%0.44445%0.448SS..Hα-helixtrans-59.7-43.5-179.4-64.4-13000110.9K244 F245 E251 E252K244-D248 PolarHBondContact O-N 2.91Å; F245-D248 PolarHBondContact O-N 3.13Å; D248-E251 PolarHBondContact O-N 2.81Å; D248-E252 PolarHBondContact O-N 2.93Å
249K95.8Very high89.6Confident35 Ų3599.9 Ų99.915%0.15248%0.483CS..Hα-helixtrans-66.1-37.2177-83.2-72.2167.7-167.60113.5Y109 F245 I247 E252 S253Y109-K249 HydrophobicContact CD1-CD 4.15Å; Y109-K249 HydrophobicContact CE1-CD 4.37Å; F245-K249 HydrophobicContact CD1-CG 4.15Å; F245-K249 HydrophobicContact CE1-CG 3.65Å; F245-K249 HydrophobicContact CE2-CG 4.22Å; F245-K249 HydrophobicContact CZ-CD 4.32Å; F245-K249 HydrophobicContact CZ-CG 3.7Å; F245-K249 WeakPolarHBondContact O-CB 3.39Å; F245-K249 PolarHBondContact O-N 3.34Å; I247-K249 VanDerWaalsContact C-N 3.32Å; I247-K249 PolarHBondContact O-N 3.24Å; K249-E252 IonicContact NZ-OE2 3.85Å; K249-E252 PolarHBondContact NZ-OE2 3.3Å; K249-E252 PolarHBondContact O-N 2.83Å; K249-S253 WeakPolarHBondContact O-CB 3.48Å; K249-S253 PolarHBondContact O-N 2.95Å
250K95.1Very high86.7Confident141 Ų141104.1 Ų104.161%0.61351%0.507SS*.Hα-helixtrans-62.4-47.9175.3178.7-175174-174.70110.3L246 I247 E252 S253 M254L246-K250 VanDerWaalsContact O-CB 3.26Å; L246-K250 WeakPolarHBondContact O-CB 3.33Å; L246-K250 PolarHBondContact O-N 2.73Å; I247-K250 WeakPolarHBondContact O-CB 3.35Å; I247-K250 PolarHBondContact O-N 3.47Å; I247-K250 VanDerWaalsContact O-N 3.16Å; K250-E252 VanDerWaalsContact C-N 3.34Å; K250-E252 PolarHBondContact O-N 3.46Å; K250-S253 PolarHBondContact O-N 3.48Å; K250-S253 PolarHBondContact O-OG 2.88Å; K250-M254 WeakPolarHBondContact O-CG 3.15Å; K250-M254 PolarHBondContact O-N 3.35Å; K250-M254 VanDerWaalsContact O-N 3.13Å
251E94.5Very high84.5Confident126 Ų126109 Ų10959%0.58952%0.522SS*.Hα-helixtrans-60.4-43.2176.6-68.5179.4-177.800111.5I247 D248 S253 M254 S255I247-E251 WeakPolarHBondContact O-CG 3.28Å; I247-E251 PolarHBondContact O-N 3.44Å; D248-E251 PolarHBondContact O-N 2.81Å; E251-S253 VanDerWaalsContact C-N 3.34Å; E251-S253 PolarHBondContact O-N 2.74Å; E251-M254 PolarHBondContact O-N 2.59Å; E251-S255 PolarHBondContact O-N 2.98Å
252E93.1Very high81.5Confident74 Ų74110.5 Ų110.535%0.34653%0.53SS..Hα-helixtrans-58.5-45.1175.4-160.3-156.8134.600111.5Y109 D248 K249 K250 M254 S255 K256Y109-E252 HydrophobicContact CE1-CB 4.08Å; Y109-E252 HydrophobicContact CE1-CG 4.07Å; Y109-E252 WeakPolarHBondContact CE1-OE1 3.37Å; Y109-E252 PolarHBondContact OH-OE1 2.94Å; D248-E252 PolarHBondContact O-N 2.93Å; K249-E252 IonicContact NZ-OE2 3.85Å; K249-E252 PolarHBondContact NZ-OE2 3.3Å; K249-E252 PolarHBondContact O-N 2.83Å; K250-E252 VanDerWaalsContact C-N 3.34Å; K250-E252 PolarHBondContact O-N 3.46Å; E252-M254 VanDerWaalsContact C-N 3.32Å; E252-M254 PolarHBondContact O-N 2.93Å; E252-S255 PolarHBondContact O-N 3.11Å; E252-S255 PolarHBondContact O-OG 3.12Å; E252-K256 IonicContact OE1-NZ 3.88Å
253S90.5Very high78.9Confident34 Ų34116.2 Ų116.224%0.23856%0.559CS.*Hα-helixtrans-64.5-34.8-179.477.70000113.4K249 K250 E251 S255 K256K249-S253 WeakPolarHBondContact O-CB 3.48Å; K249-S253 PolarHBondContact O-N 2.95Å; K250-S253 PolarHBondContact O-N 3.48Å; K250-S253 PolarHBondContact O-OG 2.88Å; E251-S253 VanDerWaalsContact C-N 3.34Å; E251-S253 PolarHBondContact O-N 2.74Å; S253-S255 VanDerWaalsContact C-N 3.3Å; S253-S255 PolarHBondContact O-N 3.13Å; S253-K256 PolarHBondContact O-N 3.49Å
254M88.3Confident76.6Confident144 Ų144119.3 Ų119.371%0.70958%0.576SS**Hα-helixtrans-71.9-25.8178-73.1-177.555.900112.5K250 E251 E252K250-M254 WeakPolarHBondContact O-CG 3.15Å; K250-M254 PolarHBondContact O-N 3.35Å; K250-M254 VanDerWaalsContact O-N 3.13Å; E251-M254 PolarHBondContact O-N 2.59Å; E252-M254 VanDerWaalsContact C-N 3.32Å; E252-M254 PolarHBondContact O-N 2.93Å
255S86.1Confident73.8Confident88 Ų88123.3 Ų123.362%0.61559%0.587SS**Hα-helixtrans-77.7-18.5179.675.90000113.7E251 E252 S253E251-S255 PolarHBondContact O-N 2.98Å; E252-S255 PolarHBondContact O-N 3.11Å; E252-S255 PolarHBondContact O-OG 3.12Å; S253-S255 VanDerWaalsContact C-N 3.3Å; S253-S255 PolarHBondContact O-N 3.13Å
256K76.2Confident71.5Confident108 Ų108126.4 Ų126.447%0.4761%0.61SS.*SBendtrans-82.3127.8-179.3-77.4-164.2-176.8152.10111.7Y109 E252 S253 H258Y109-K256 HydrophobicContact CE2-CD 3.87Å; Y109-K256 WeakPolarHBondContact OH-CD 3.43Å; Y109-K256 WeakPolarHBondContact OH-CE 3.5Å; Y109-K256 PolarHBondContact OH-NZ 2.68Å; E252-K256 IonicContact OE1-NZ 3.88Å; S253-K256 PolarHBondContact O-N 3.49Å; K256-H258 PolarHBondContact O-N 3.49Å; K256-H258 VanDerWaalsContact O-N 3.1Å
257P60.4Low68.9Low122 Ų122129.9 Ų129.979%0.79263%0.629SS**PPolyproline II helixtrans-56.8119.8172.2-1929.2000109.6K259P257-K259 PolarHBondContact O-N 3.2Å; P257-K259 VanDerWaalsContact O-N 3.16Å
258H60.4Low66.1Low169 Ų169132.9 Ų132.978%0.78265%0.646SS**PPolyproline II helixtrans-61120.3173-77.314.6000108.6K256 L260K256-H258 PolarHBondContact O-N 3.49Å; K256-H258 VanDerWaalsContact O-N 3.1Å; H258-L260 PolarHBondContact O-N 3.4Å
259K58.6Low63.5Low205 Ų205134.6 Ų134.689%0.89166%0.66SS**  trans-61.3112.9171.6-73.9-178.2179.51760107.3P257 Y261P257-K259 PolarHBondContact O-N 3.2Å; P257-K259 VanDerWaalsContact O-N 3.16Å; K259-Y261 PolarHBondContact O-N 3.26Å; K259-Y261 VanDerWaalsContact O-N 3.14Å
260L39.1Very low60.8Low168 Ų168140.3 Ų140.388%0.8869%0.691SS**  trans-54120.2166.7-85.3153.7000107.5H258 E262H258-L260 PolarHBondContact O-N 3.4Å; L260-E262 PolarHBondContact O-N 3.26Å
261Y50.5Low58.3Low195 Ų195140.7 Ų140.777%0.76570%0.7SS**  trans-65.9106.1172.3178-100.3000108.3K259 I263K259-Y261 PolarHBondContact O-N 3.26Å; K259-Y261 VanDerWaalsContact O-N 3.14Å; Y261-I263 HydrophobicContact CD1-CG1 3.98Å; Y261-I263 HydrophobicContact CE1-CB 4.3Å; Y261-I263 HydrophobicContact CE1-CG1 3.7Å; Y261-I263 PolarHBondContact O-N 3.39Å
262E36.2Very low55.7Low172 Ų172141.4 Ų141.480%0.80470%0.703SS**  trans-77.2114.6163.8-84.2-172.7156.700108.6L260 K264L260-E262 PolarHBondContact O-N 3.26Å; E262-K264 PolarHBondContact O-N 3.14Å
263I43.6Very low53.3Low130 Ų130145.8 Ų145.867%0.66773%0.729SS**  trans-58.4109.6168-59.7164.4000106.8Y261 R265Y261-I263 HydrophobicContact CD1-CG1 3.98Å; Y261-I263 HydrophobicContact CE1-CB 4.3Å; Y261-I263 HydrophobicContact CE1-CG1 3.7Å; Y261-I263 PolarHBondContact O-N 3.39Å; I263-R265 VanDerWaalsContact C-N 3.35Å; I263-R265 PolarHBondContact O-N 2.94Å
264K50Low50.9Low192 Ų192150.4 Ų150.484%0.83575%0.749SS**  trans-62.6101166.1-71.3-175-179.9-179.90107.2E262 V266E262-K264 PolarHBondContact O-N 3.14Å; K264-V266 PolarHBondContact O-N 3.32Å; K264-V266 VanDerWaalsContact O-N 3.14Å
265R39.7Very low48.8Very low218 Ų218149.5 Ų149.582%0.82376%0.757SS**  trans-61116.9168.3-69.6-171.7-176.9176.81.9107I263 N267I263-R265 VanDerWaalsContact C-N 3.35Å; I263-R265 PolarHBondContact O-N 2.94Å; R265-N267 VanDerWaalsContact C-N 3.33Å; R265-N267 PolarHBondContact O-N 2.75Å
266V50.6Low46.7Very low120 Ų120148.9 Ų148.973%0.72776%0.764SS**  trans-66.2100166.1-177.70000105.5K264 D268K264-V266 PolarHBondContact O-N 3.32Å; K264-V266 VanDerWaalsContact O-N 3.14Å; V266-D268 VanDerWaalsContact C-N 3.26Å; V266-D268 PolarHBondContact O-N 3.42Å
267N43.3Very low45.1Very low138 Ų138148.8 Ų148.874%0.73878%0.778SS**  trans-73.892.9164.2-79.5-11.8000106.1R265 T269R265-N267 VanDerWaalsContact C-N 3.33Å; R265-N267 PolarHBondContact O-N 2.75Å; N267-T269 PolarHBondContact O-N 3.47Å
268D39.6Very low44.2Very low128 Ų128153.8 Ų153.868%0.68478%0.78SS**  trans-63.183.9162.9-80.2-28.5000108.4V266 L270V266-D268 VanDerWaalsContact C-N 3.26Å; V266-D268 PolarHBondContact O-N 3.42Å; D268-L270 PolarHBondContact O-N 3.06Å
269T41.8Very low43.4Very low120 Ų120151.2 Ų151.274%0.73678%0.782SS**  trans-69.983.6156.228.20000107.9N267 N271N267-T269 PolarHBondContact O-N 3.47Å; T269-N271 PolarHBondContact O-N 3.1Å
270L39.8Very low42.6Very low155 Ų155146.5 Ų146.581%0.81277%0.772SS**  trans-6276.5158.9-78.5158.1000108.9D268 H272D268-L270 PolarHBondContact O-N 3.06Å; L270-H272 VanDerWaalsContact C-N 3.3Å; L270-H272 PolarHBondContact O-N 2.85Å; L270-H272 VanDerWaalsContact O-N 3.15Å
271N42.7Very low42.4Very low149 Ų149145.5 Ų145.580%0.79777%0.767SS**  trans-83.387.3163.7-86.1-4000108.9T269 D273T269-N271 PolarHBondContact O-N 3.1Å; N271-D273 PolarHBondContact O-N 2.93Å
272H39.5Very low41.7Very low141 Ų141143.1 Ų143.165%0.65377%0.767SS**  trans-13.7111.2144.5-162.2-60.5000114.6L270 I274L270-H272 VanDerWaalsContact C-N 3.3Å; L270-H272 PolarHBondContact O-N 2.85Å; L270-H272 VanDerWaalsContact O-N 3.15Å; H272-I274 WeakPolarHBondContact CE1-CD1 3.32Å
273D42.7Very low41.9Very low165 Ų165140.4 Ų140.488%0.88277%0.768SS**  trans-142.7112.9146.2-99.4-29.5000110.5N271N271-D273 PolarHBondContact O-N 2.93Å
274I39.5Very low41.4Very low132 Ų132139.9 Ų139.968%0.67777%0.771SS**  trans-95.5113.1-179.8-65.8176.9000107.2H272H272-I274 WeakPolarHBondContact CE1-CD1 3.32Å
275S44.7Very low41.1Very low125 Ų125139.1 Ų139.187%0.87478%0.775SS**  trans-170128.7146.9-99.10000112.7
276G40.8Very low41Very low74 Ų74135.1 Ų135.176%0.76377%0.769SS**  trans112.670.5139.800000118.6
277S43.2Very low40.7Very low107 Ų107136.2 Ų136.275%0.74878%0.777SS**  64.4115.6125-174.80000121.5
278R41.1Very low40.5Very low226 Ų226134.7 Ų134.785%0.85377%0.774SS**  trans82.798.3136.9-78.9176.8165.7-165.6-3.9120.6
279S44.6Very low40.1Very low115 Ų115134.7 Ų134.780%0.80478%0.779SS**  73.2149.8109.7-66.80000120.5
280P41.4Very low40.1Very low107 Ų107138.4 Ų138.470%0.69579%0.785SS**  -126.1178.9-122.826.3-3.3000115.6
281L36Very low40.3Very low146 Ų146136 Ų13676%0.76477%0.773SS**  trans86134.7155.3-71.9138.1000120
282N34Very low40.4Very low145 Ų145131.7 Ų131.778%0.77576%0.763SS**  trans82105.2151.9-64.9-9.7000118.7
283S40.5Very low40.7Very low116 Ų116130.8 Ų130.881%0.81177%0.77SS**  trans-148.4110.113352.10000111.6
284T34.1Very low41.3Very low119 Ų119125.5 Ų125.573%0.7374%0.744SS**  trans-45.6137.4163.4-5.90000112.9
285L42.6Very low42.5Very low176 Ų176127.7 Ų127.792%0.92176%0.756SS**  trans-137.7113.1151.9-102132.8000109.7
286N37.8Very low44.3Very low133 Ų133123 Ų12371%0.71173%0.727SS**  trans-75.2148.2175.2-68.9-31.9000111.3
287T44.2Very low46.8Very low143 Ų143121.4 Ų121.488%0.87770%0.704SS**  175156.2126.228.60000111.1
288P39.1Very low49.3Very low106 Ų106116.4 Ų116.469%0.68867%0.669SS**  -120.6155.3-116.933.7-16.9000117.5
289T32.6Very low51.9Low129 Ų129105.7 Ų105.779%0.79163%0.628SS**  trans58.599.5144.356.20000120.4
290K41.6Very low54.4Low197 Ų197104.4 Ų104.486%0.85761%0.608SS**SBend-179.2130.8109.2-98-178.9177.2-1740108.7
291N43.6Very low57Low106 Ų10699.4 Ų99.457%0.56758%0.576SS**  trans76.4110.4175.1-53.5-10.2000115.4
292G45.1Very low59.7Low57 Ų5795.7 Ų95.759%0.58856%0.556SS**  trans-66.3171.3175.900000112.9V294G292-V294 PolarHBondContact O-N 3Å
293P46.6Very low62.6Low122 Ų12294.4 Ų94.479%0.79254%0.544SS*.  trans-67.5110.7-176.728.1-31.2000109.5L295P293-L295 PolarHBondContact O-N 3.22Å; P293-L295 VanDerWaalsContact O-N 3.13Å
294V53.8Low65.1Low54 Ų5494 Ų9433%0.32753%0.532SS..  trans-76.1101.5177.4-171.70000108G292 G296 I320 N352G292-V294 PolarHBondContact O-N 3Å; V294-G296 PolarHBondContact O-N 3.22Å; V294-I320 HydrophobicContact CG2-CG2 3.88Å; V294-N352 PolarHBondContact O-ND2 2.93Å
295L65.1Low67.9Low178 Ų17889.6 Ų89.693%0.93250%0.504SS*.  trans-77.27.8-178.9-92.2143.4000114.1P293P293-L295 PolarHBondContact O-N 3.22Å; P293-L295 VanDerWaalsContact O-N 3.13Å
296G83.1Confident70.4Confident27 Ų2789.4 Ų89.428%0.27850%0.498SS..SBendtrans-133.2-178.5-175.900000113.6V294 S298 N352V294-G296 PolarHBondContact O-N 3.22Å; G296-S298 PolarHBondContact O-N 3.28Å; G296-N352 VanDerWaalsContact O-CB 3.31Å; G296-N352 WeakPolarHBondContact O-CB 2.98Å; G296-N352 PolarHBondContact O-ND2 2.88Å
297P93.8Very high72.9Confident41 Ų4184.4 Ų84.427%0.26648%0.475SS..SBendtrans-52.1130.3174.9-25.835.5000111.3L323 N352 L354P297-L323 HydrophobicContact CB-CB 3.9Å; P297-L323 PolarHBondContact O-N 3.48Å; P297-N352 CarbonylContact C-O 3.17Å; P297-N352 VanDerWaalsContact CA-O 3.22Å; P297-N352 WeakPolarHBondContact CA-O 3.31Å; P297-L354 HydrophobicContact CB-CD2 3.75Å; P297-L354 HydrophobicContact CB-CG 4.2Å; P297-L354 HydrophobicContact CG-CD2 4.12Å
298S95.5Very high74.8Confident2 Ų286.1 Ų86.11%0.01447%0.473CS..EExtended strand (participates in β ladder)trans-158.7156.7-172.364.60000112.6G296 I321 I351 N352G296-S298 PolarHBondContact O-N 3.28Å; S298-I321 CarbonylContact C-O 3.54Å; S298-I321 VanDerWaalsContact CA-O 3.23Å; S298-I321 WeakPolarHBondContact CA-O 3.18Å; S298-I321 WeakPolarHBondContact CB-O 3.19Å; S298-I351 PolarHBondContact O-N 2.99Å; S298-N352 PolarHBondContact N-O 2.85Å; S298-N352 PolarHBondContact O-N 3.05Å; S298-N352 PolarHBondContact OG-ND2 3.15Å
299C96Very high77.2Confident0 Ų084.2 Ų84.20%046%0.457CS..EExtended strand (participates in β ladder)trans-137.9160.1174.261.60000111.3I320 I321 L323 V348 E349 V350C299-I320 WeakPolarHBondContact O-CA 3.34Å; C299-I321 PolarHBondContact N-O 2.88Å; C299-I321 PolarHBondContact O-N 2.97Å; C299-L323 HydrophobicContact CB-CD1 4.12Å; C299-L323 HydrophobicContact CB-CD2 4.43Å; C299-L323 HydrophobicContact CB-CG 4.25Å; C299-V348 HydrophobicContact CB-CB 4.02Å; C299-V348 HydrophobicContact CB-CG2 4.12Å; C299-E349 CarbonylContact C-O 3.23Å; C299-E349 WeakPolarHBondContact CA-O 3.43Å; C299-E349 VanDerWaalsContact CB-O 3.27Å; C299-E349 WeakPolarHBondContact CB-O 3.43Å; C299-V350 HydrophobicContact CB-CG2 4.46Å
300K96.1Very high79.8Confident89 Ų8986.4 Ų86.439%0.38746%0.464SS..EExtended strand (participates in β ladder)trans-107134.6173.9-176.9-179.8176.1-167.90110.2L302 D319 I320 V348 E349 I351K300-L302 PolarHBondContact O-N 3.34Å; K300-D319 CarbonylContact C-O 3.43Å; K300-D319 WeakPolarHBondContact CA-O 3.3Å; K300-I320 HydrophobicContact CB-CD1 3.87Å; K300-I320 HydrophobicContact CD-CD1 4.42Å; K300-I320 HydrophobicContact CG-CD1 3.92Å; K300-V348 CarbonylContact O-C 3.46Å; K300-V348 VanDerWaalsContact O-CA 3.25Å; K300-V348 WeakPolarHBondContact O-CA 3.23Å; K300-E349 PolarHBondContact N-O 2.89Å; K300-E349 PolarHBondContact O-N 3.13Å; K300-I351 HydrophobicContact CB-CD1 3.79Å; K300-I351 HydrophobicContact CB-CG1 4.3Å
301A96.1Very high82.1Confident1 Ų180 Ų801%0.00844%0.444CS..EExtended strand (participates in β ladder)trans-67.3128.3172.600000111.7F315 S316 G318 D319A301-F315 HydrophobicContact CB-CD2 3.37Å; A301-F315 HydrophobicContact CB-CE2 3.63Å; A301-F315 HydrophobicContact CB-CG 4.34Å; A301-S316 VanDerWaalsContact CB-O 3.22Å; A301-S316 WeakPolarHBondContact CB-O 3.23Å; A301-G318 PolarHBondContact O-N 3.31Å; A301-D319 HydrophobicContact CB-CB 4.4Å; A301-D319 PolarHBondContact N-O 3.09Å
302L93.6Very high84.5Confident69 Ų6976.6 Ų76.636%0.36143%0.425SS..SBendtrans-92.1-23.6174.5-65.3176.5000112.6K300 Y347 E349K300-L302 PolarHBondContact O-N 3.34Å; L302-Y347 PolarHBondContact N-O 2.98Å; L302-E349 HydrophobicContact CD1-CB 4.24Å; L302-E349 HydrophobicContact CD2-CB 3.97Å; L302-E349 HydrophobicContact CG-CB 4.13Å
303F94Very high86.9Confident118 Ų11874.1 Ų74.152%0.51840%0.398SS..SBendtrans-143.1163.4179.5-51.4-72.8000109.7F315 Y347F303-F315 VanDerWaalsContact O-CE2 3.27Å; F303-F315 WeakPolarHBondContact O-CE2 3.31Å; F303-Y347 HydrophobicContact CB-CD1 3.88Å; F303-Y347 HydrophobicContact CB-CE1 4.15Å; F303-Y347 HydrophobicContact CD2-CD1 4.42Å; F303-Y347 HydrophobicContact CD2-CG 4.49Å
304D92.6Very high89.2Confident106 Ų10671.1 Ų71.157%0.56738%0.38SS*.  trans-68141.3167.2-62.7-24.8000110.4S316 E317 Y347D304-S316 WeakPolarHBondContact OD1-CA 3.25Å; D304-E317 PolarHBondContact OD1-N 3.34Å; D304-Y347 WeakPolarHBondContact O-CE1 3.45Å
305F93.7Very high91.2Very high28 Ų2869.1 Ų69.112%0.12337%0.367CS..BIsolated β-bridgetrans-132.8128173.6-177.3-104.7000110E312 L313 S314 F315 F343 P344 Y347F305-E312 HydrophobicContact CE1-CB 4.31Å; F305-L313 VanDerWaalsContact CD1-O 3.3Å; F305-L313 WeakPolarHBondContact CD1-O 3.21Å; F305-S314 CarbonylContact O-C 3.56Å; F305-S314 WeakPolarHBondContact O-CA 3.43Å; F305-S314 WeakPolarHBondContact O-CB 3.36Å; F305-F315 HydrophobicContact CB-CD1 4.15Å; F305-F315 HydrophobicContact CB-CD2 4.06Å; F305-F315 HydrophobicContact CB-CE1 3.66Å; F305-F315 HydrophobicContact CB-CE2 3.59Å; F305-F315 HydrophobicContact CB-CG 4.34Å; F305-F315 HydrophobicContact CB-CZ 3.37Å; F305-F315 HydrophobicContact CD1-CD1 4.42Å; F305-F315 AromaticContact CD1-CE1 3.88Å; F305-F315 HydrophobicContact CD1-CE1 3.88Å; F305-F315 HydrophobicContact CD1-CZ 4.32Å; F305-F315 HydrophobicContact CG-CE1 4.06Å; F305-F315 HydrophobicContact CG-CZ 4.03Å; F305-F315 PolarHBondContact N-O 3.1Å; F305-F315 PolarHBondContact O-N 3.1Å; F305-F343 HydrophobicContact CD1-CB 4.31Å; F305-F343 HydrophobicContact CE1-CB 4.3Å; F305-P344 HydrophobicContact CD2-CG 4.16Å; F305-P344 HydrophobicContact CE2-CG 3.65Å; F305-P344 HydrophobicContact CZ-CG 4.08Å; F305-Y347 HydrophobicContact CB-CD1 3.92Å; F305-Y347 HydrophobicContact CB-CE1 4.33Å; F305-Y347 HydrophobicContact CD2-CD1 4.01Å; F305-Y347 AromaticContact CD2-CE1 3.95Å; F305-Y347 HydrophobicContact CD2-CE1 3.95Å; F305-Y347 HydrophobicContact CD2-CG 4.49Å; F305-Y347 HydrophobicContact CG-CD1 4.38Å
306E93.8Very high92.6Very high171 Ų17163.8 Ų63.880%0.79935%0.345SS*.  trans-112.7114.5179.8-164.8171.9-162.200108.7E308E306-E308 PolarHBondContact O-N 2.92Å
307A90.2Very high93.1Very high29 Ų2969.2 Ų69.224%0.2436%0.363CS..  trans-60.5131.3-179.700000111.9E312 S314A307-E312 HydrophobicContact CB-CB 3.48Å; A307-E312 VanDerWaalsContact CB-CB 3.48Å; A307-S314 VanDerWaalsContact CB-OG 3.23Å; A307-S314 WeakPolarHBondContact CB-OG 3.43Å; A307-S314 PolarHBondContact N-OG 3.19Å
308E85.4Confident93.1Very high178 Ų17868.8 Ų68.883%0.83237%0.366SS*.SBendtrans-83.4-19.3175.5-67.4-170.5173.500112.4E306 E312E306-E308 PolarHBondContact O-N 2.92Å; E308-E312 PolarHBondContact N-OE2 3.14Å
309N89.3Confident93.1Very high66 Ų6670.9 Ų70.935%0.35338%0.377SS..SBendtrans-148167.4-17658.366000112.1S311 E312N309-S311 PolarHBondContact O-N 2.97Å; N309-S311 VanDerWaalsContact O-N 3.12Å; N309-S311 PolarHBondContact OD1-N 2.75Å; N309-S311 VanDerWaalsContact OD1-N 3.13Å; N309-S311 PolarHBondContact OD1-OG 3.45Å; N309-E312 PolarHBondContact ND2-OE1 2.87Å; N309-E312 PolarHBondContact O-N 2.96Å; N309-E312 VanDerWaalsContact O-N 3.11Å; N309-E312 PolarHBondContact OD1-N 2.88Å
310D87.4Confident93Very high176 Ų17673 Ų7394%0.94139%0.388SS*.THydrogen-bonded Turntrans-66.6-12.7-176.1-68.1-27.6000114.3
311S89.7Confident93Very high63 Ų6368.7 Ų68.744%0.44137%0.369SS..THydrogen-bonded Turntrans-86.9-10.6175.333.10000113.9N309 G341 Y342N309-S311 PolarHBondContact O-N 2.97Å; N309-S311 VanDerWaalsContact O-N 3.12Å; N309-S311 PolarHBondContact OD1-N 2.75Å; N309-S311 VanDerWaalsContact OD1-N 3.13Å; N309-S311 PolarHBondContact OD1-OG 3.45Å; S311-G341 CarbonylContact O-C 3.47Å; S311-G341 WeakPolarHBondContact O-CA 3.42Å; S311-Y342 VanDerWaalsContact O-CD2 3.31Å; S311-Y342 WeakPolarHBondContact O-CD2 3.3Å; S311-Y342 PolarHBondContact O-N 3.35Å
312E94.7Very high93Very high33 Ų3371.1 Ų71.115%0.15439%0.386CS..BIsolated β-bridgetrans-99.1154.2-178.3-77.4168.6-15500112.4F305 A307 E308 N309 W331 Y342F305-E312 HydrophobicContact CE1-CB 4.31Å; A307-E312 HydrophobicContact CB-CB 3.48Å; A307-E312 VanDerWaalsContact CB-CB 3.48Å; E308-E312 PolarHBondContact N-OE2 3.14Å; N309-E312 PolarHBondContact ND2-OE1 2.87Å; N309-E312 PolarHBondContact O-N 2.96Å; N309-E312 VanDerWaalsContact O-N 3.11Å; N309-E312 PolarHBondContact OD1-N 2.88Å; E312-W331 HydrophobicContact CG-CH2 4.38Å; E312-W331 HydrophobicContact CG-CZ3 4.17Å; E312-Y342 WeakPolarHBondContact CA-O 3.49Å
313L94.2Very high93.1Very high5 Ų568.4 Ų68.43%0.02637%0.372CS..  trans-109.1107.6-177.5-174.969.2000111.1F305 F315 I321 L336 R339 Y342 F343F305-L313 VanDerWaalsContact CD1-O 3.3Å; F305-L313 WeakPolarHBondContact CD1-O 3.21Å; L313-F315 WeakPolarHBondContact O-CD1 2.88Å; L313-I321 HydrophobicContact CD2-CG2 3.89Å; L313-L336 HydrophobicContact CD1-CB 4.31Å; L313-L336 HydrophobicContact CD2-CB 3.97Å; L313-L336 HydrophobicContact CG-CB 4.44Å; L313-R339 HydrophobicContact CD1-CB 3.83Å; L313-R339 WeakPolarHBondContact CD1-O 3.15Å; L313-Y342 PolarHBondContact N-O 3.06Å; L313-F343 HydrophobicContact CB-CD1 4.16Å; L313-F343 HydrophobicContact CD2-CD1 4.02Å; L313-F343 HydrophobicContact CD2-CE1 4.02Å
314S95.1Very high93.1Very high60 Ų6065.7 Ų65.742%0.4236%0.362SS..  trans-71.4143171.3-49.10000112.4F305 A307F305-S314 CarbonylContact O-C 3.56Å; F305-S314 WeakPolarHBondContact O-CA 3.43Å; F305-S314 WeakPolarHBondContact O-CB 3.36Å; A307-S314 VanDerWaalsContact CB-OG 3.23Å; A307-S314 WeakPolarHBondContact CB-OG 3.43Å; A307-S314 PolarHBondContact N-OG 3.19Å
315F95.5Very high93.1Very high11 Ų1164.1 Ų64.15%0.04835%0.353CS..BIsolated β-bridgetrans-154.7165.4175.753.1-98.6000111.7A301 F303 F305 L313 D319 I321 L336 F343 V348A301-F315 HydrophobicContact CB-CD2 3.37Å; A301-F315 HydrophobicContact CB-CE2 3.63Å; A301-F315 HydrophobicContact CB-CG 4.34Å; F303-F315 VanDerWaalsContact O-CE2 3.27Å; F303-F315 WeakPolarHBondContact O-CE2 3.31Å; F305-F315 HydrophobicContact CB-CD1 4.15Å; F305-F315 HydrophobicContact CB-CD2 4.06Å; F305-F315 HydrophobicContact CB-CE1 3.66Å; F305-F315 HydrophobicContact CB-CE2 3.59Å; F305-F315 HydrophobicContact CB-CG 4.34Å; F305-F315 HydrophobicContact CB-CZ 3.37Å; F305-F315 HydrophobicContact CD1-CD1 4.42Å; F305-F315 AromaticContact CD1-CE1 3.88Å; F305-F315 HydrophobicContact CD1-CE1 3.88Å; F305-F315 HydrophobicContact CD1-CZ 4.32Å; F305-F315 HydrophobicContact CG-CE1 4.06Å; F305-F315 HydrophobicContact CG-CZ 4.03Å; F305-F315 PolarHBondContact N-O 3.1Å; F305-F315 PolarHBondContact O-N 3.1Å; L313-F315 WeakPolarHBondContact O-CD1 2.88Å; F315-D319 HydrophobicContact CB-CB 4.35Å; F315-I321 HydrophobicContact CB-CD1 4.16Å; F315-I321 HydrophobicContact CD1-CD1 3.5Å; F315-I321 VanDerWaalsContact CD1-CD1 3.5Å; F315-I321 HydrophobicContact CD2-CD1 4.24Å; F315-I321 HydrophobicContact CE1-CD1 3.84Å; F315-I321 HydrophobicContact CG-CD1 3.71Å; F315-I321 HydrophobicContact CZ-CD1 4.34Å; F315-L336 HydrophobicContact CB-CD2 3.61Å; F315-F343 HydrophobicContact CE1-CB 3.55Å; F315-F343 HydrophobicContact CE1-CD1 4.4Å; F315-F343 HydrophobicContact CE1-CD2 4.15Å; F315-F343 AromaticContact CE1-CG 3.8Å; F315-F343 HydrophobicContact CE1-CG 3.8Å; F315-F343 HydrophobicContact CZ-CB 4.23Å; F315-F343 HydrophobicContact CZ-CD2 4.48Å; F315-F343 HydrophobicContact CZ-CG 4.5Å; F315-V348 HydrophobicContact CE2-CG1 4.38Å; F315-V348 HydrophobicContact CZ-CG1 4.03Å
316S95Very high93.1Very high67 Ų6769.3 Ų69.347%0.46937%0.372SS..  trans-108.8156.4175.2-64.90000112.1A301 D304 G318 D319A301-S316 VanDerWaalsContact CB-O 3.22Å; A301-S316 WeakPolarHBondContact CB-O 3.23Å; D304-S316 WeakPolarHBondContact OD1-CA 3.25Å; S316-G318 PolarHBondContact O-N 2.79Å; S316-D319 PolarHBondContact N-OD2 3.16Å; S316-D319 WeakPolarHBondContact O-CB 3.27Å; S316-D319 PolarHBondContact O-N 2.81Å
317E94Very high92.9Very high141 Ų14164.6 Ų64.666%0.65936%0.355SS*.THydrogen-bonded Turntrans-49128.3174.6-176-17415800110.7D304D304-E317 PolarHBondContact OD1-N 3.34Å
318G92.7Very high92.8Very high32 Ų3266.8 Ų66.833%0.3336%0.362SS..THydrogen-bonded Turntrans89.4-7.5-18000000115.9A301 S316A301-G318 PolarHBondContact O-N 3.31Å; S316-G318 PolarHBondContact O-N 2.79Å
319D95.3Very high93Very high45 Ų4565.8 Ų65.824%0.24136%0.358CS..  trans-61.5145.5172.5-80.7-28.3000111.7K300 A301 F315 S316 L336K300-D319 CarbonylContact C-O 3.43Å; K300-D319 WeakPolarHBondContact CA-O 3.3Å; A301-D319 HydrophobicContact CB-CB 4.4Å; A301-D319 PolarHBondContact N-O 3.09Å; F315-D319 HydrophobicContact CB-CB 4.35Å; S316-D319 PolarHBondContact N-OD2 3.16Å; S316-D319 WeakPolarHBondContact O-CB 3.27Å; S316-D319 PolarHBondContact O-N 2.81Å; D319-L336 HydrophobicContact CB-CD1 4.34Å; D319-L336 HydrophobicContact CB-CD2 4.09Å
320I95.3Very high93.1Very high44 Ų4467.8 Ų67.823%0.22637%0.368CS..EExtended strand (participates in β ladder)trans-104.3113.1175.4-54.4-62.1000108.4V294 C299 K300 L336 I351V294-I320 HydrophobicContact CG2-CG2 3.88Å; C299-I320 WeakPolarHBondContact O-CA 3.34Å; K300-I320 HydrophobicContact CB-CD1 3.87Å; K300-I320 HydrophobicContact CD-CD1 4.42Å; K300-I320 HydrophobicContact CG-CD1 3.92Å; I320-L336 WeakPolarHBondContact O-CD1 3.39Å; I320-I351 HydrophobicContact CD1-CD1 3.68Å
321I95.8Very high93.4Very high0 Ų063.1 Ų63.10%034%0.337CS..EExtended strand (participates in β ladder)trans-102.8133.6-176.4-53.2166.4000108S298 C299 L313 F315 L336 F343 V348S298-I321 CarbonylContact C-O 3.54Å; S298-I321 VanDerWaalsContact CA-O 3.23Å; S298-I321 WeakPolarHBondContact CA-O 3.18Å; S298-I321 WeakPolarHBondContact CB-O 3.19Å; C299-I321 PolarHBondContact N-O 2.88Å; C299-I321 PolarHBondContact O-N 2.97Å; L313-I321 HydrophobicContact CD2-CG2 3.89Å; F315-I321 HydrophobicContact CB-CD1 4.16Å; F315-I321 HydrophobicContact CD1-CD1 3.5Å; F315-I321 VanDerWaalsContact CD1-CD1 3.5Å; F315-I321 HydrophobicContact CD2-CD1 4.24Å; F315-I321 HydrophobicContact CE1-CD1 3.84Å; F315-I321 HydrophobicContact CG-CD1 3.71Å; F315-I321 HydrophobicContact CZ-CD1 4.34Å; I321-L336 HydrophobicContact CG1-CB 4.43Å; I321-L336 HydrophobicContact CG1-CD1 4.47Å; I321-L336 HydrophobicContact CG1-CD2 4.39Å; I321-F343 HydrophobicContact CB-CZ 4.48Å; I321-F343 HydrophobicContact CD1-CE1 4.45Å; I321-F343 HydrophobicContact CD1-CE2 4.44Å; I321-F343 HydrophobicContact CD1-CZ 4.28Å; I321-F343 HydrophobicContact CG2-CE1 3.77Å; I321-F343 HydrophobicContact CG2-CZ 3.81Å; I321-V348 HydrophobicContact CD1-CG1 4.29Å
322S95.9Very high93.8Very high51 Ų5160.8 Ų60.836%0.35732%0.32SS..EExtended strand (participates in β ladder)trans-78.5125.4172.5-640000109.1G334 E335S322-G334 CarbonylContact O-C 3.58Å; S322-G334 WeakPolarHBondContact O-CA 3.27Å; S322-E335 PolarHBondContact N-O 3.38Å; S322-E335 PolarHBondContact O-N 2.96Å
323L95.6Very high93.8Very high12 Ų1261 Ų616%0.06332%0.321CS..EExtended strand (participates in β ladder)trans-81.3132.5179.4-73.8169.5000110.2P297 C299 F332 F343 V350 L354P297-L323 HydrophobicContact CB-CB 3.9Å; P297-L323 PolarHBondContact O-N 3.48Å; C299-L323 HydrophobicContact CB-CD1 4.12Å; C299-L323 HydrophobicContact CB-CD2 4.43Å; C299-L323 HydrophobicContact CB-CG 4.25Å; L323-F332 HydrophobicContact CD2-CB 3.97Å; L323-F332 HydrophobicContact CD2-CD1 3.87Å; L323-F332 HydrophobicContact CD2-CD2 4.08Å; L323-F332 HydrophobicContact CD2-CE1 4.38Å; L323-F332 HydrophobicContact CD2-CG 3.73Å; L323-F343 HydrophobicContact CD2-CE2 4.46Å; L323-F343 HydrophobicContact CD2-CZ 4Å; L323-V350 HydrophobicContact CD1-CG1 4.06Å; L323-V350 HydrophobicContact CD1-CG2 4.25Å; L323-L354 HydrophobicContact CB-CD1 4.44Å; L323-L354 HydrophobicContact CB-CD2 3.94Å; L323-L354 HydrophobicContact CB-CG 4.04Å
324I93.9Very high93.9Very high61 Ų6160.8 Ų60.831%0.31332%0.32SS..EExtended strand (participates in β ladder)trans-101.7-56.3177.2-64.7171.7000110.1E333 E335 K340 L354I324-E333 HydrophobicContact CB-CB 4.48Å; I324-E333 HydrophobicContact CB-CG 4.46Å; I324-E333 WeakPolarHBondContact CB-O 3.17Å; I324-E333 HydrophobicContact CD1-CG 4.4Å; I324-E333 PolarHBondContact N-O 3.04Å; I324-E335 HydrophobicContact CD1-CB 4.22Å; I324-K340 HydrophobicContact CD1-CD 3.71Å; I324-K340 HydrophobicContact CD1-CG 3.93Å; I324-L354 VanDerWaalsContact O-CD2 3.26Å; I324-L354 WeakPolarHBondContact O-CD2 3.31Å
325L93.2Very high93.9Very high74 Ų7461.4 Ų61.439%0.38732%0.316SS..EExtended strand (participates in β ladder)trans-156.9161.4177.570.388.5000111.7V327 E333 L354L325-V327 HydrophobicContact CD1-CB 4.28Å; L325-V327 HydrophobicContact CD1-CG2 3.65Å; L325-E333 HydrophobicContact CD1-CB 4.43Å; L325-E333 WeakPolarHBondContact CD2-OE2 3.31Å; L325-E333 HydrophobicContact CG-CB 4.07Å; L325-E333 PolarHBondContact N-O 3.28Å; L325-E333 PolarHBondContact O-N 2.84Å; L325-L354 VanDerWaalsContact C-CD1 3.44Å
326R92.8Very high93.9Very high137 Ų13761.8 Ų61.852%0.51732%0.318SS..EExtended strand (participates in β ladder)trans-94.8116.7168.8-173.1173.8-174.8173.76.1108.4D328 E329 F332 L354R326-D328 WeakPolarHBondContact CG-O 3.23Å; R326-D328 PolarHBondContact NE-O 3.03Å; R326-E329 PolarHBondContact NH2-O 3.37Å; R326-F332 HydrophobicContact CB-CD1 3.91Å; R326-F332 HydrophobicContact CB-CE1 3.79Å; R326-F332 HydrophobicContact CG-CD1 4.02Å; R326-F332 HydrophobicContact CG-CE1 3.79Å; R326-L354 HydrophobicContact CB-CD1 4.2Å
327V89.3Confident93.7Very high71 Ų7165.8 Ų65.843%0.4333%0.334SS..  trans-75.6-48.3-176.1-177.90000109.2L325 W331 E333 Y342L325-V327 HydrophobicContact CD1-CB 4.28Å; L325-V327 HydrophobicContact CD1-CG2 3.65Å; V327-W331 HydrophobicContact CB-CB 4.13Å; V327-W331 PolarHBondContact N-O 3.33Å; V327-E333 HydrophobicContact CG2-CB 4.26Å; V327-Y342 HydrophobicContact CG2-CD1 3.71Å; V327-Y342 HydrophobicContact CG2-CE1 3.72Å
328D89.5Confident93.5Very high75 Ų7562 Ų6240%0.40133%0.332SS..SBendtrans-155.6-162.8177.565.128.3000111.3R326 N330 W331R326-D328 WeakPolarHBondContact CG-O 3.23Å; R326-D328 PolarHBondContact NE-O 3.03Å; D328-N330 PolarHBondContact O-N 3.14Å; D328-N330 WeakPolarHBondContact OD1-CA 3.17Å; D328-N330 PolarHBondContact OD1-N 2.85Å; D328-W331 PolarHBondContact N-O 2.88Å; D328-W331 PolarHBondContact OD1-N 2.86Å
329E88.2Confident93.6Very high157 Ų15769.7 Ų69.773%0.73435%0.352SS*.SBendtrans-64.4-27.9179.8-66.1-17316600113.6R326R326-E329 PolarHBondContact NH2-O 3.37Å
330N91.9Very high93.6Very high108 Ų10873.6 Ų73.658%0.57837%0.366SS*.SBendtrans-107.6-19.3-170.9-61.6-47.8000113.8D328 P344 V345D328-N330 PolarHBondContact O-N 3.14Å; D328-N330 WeakPolarHBondContact OD1-CA 3.17Å; D328-N330 PolarHBondContact OD1-N 2.85Å; N330-P344 CarbonylContact O-C 3.59Å; N330-P344 WeakPolarHBondContact O-CA 3.34Å; N330-V345 VanDerWaalsContact C-CG2 3.43Å; N330-V345 WeakPolarHBondContact O-CG2 3.27Å; N330-V345 PolarHBondContact O-N 3Å
331W94.9Very high93.6Very high78 Ų7871.7 Ų71.730%0.29536%0.358SS..EExtended strand (participates in β ladder)trans-126.5135-171.7-67.993.2000114.4E312 V327 D328 F343 P344E312-W331 HydrophobicContact CG-CH2 4.38Å; E312-W331 HydrophobicContact CG-CZ3 4.17Å; V327-W331 HydrophobicContact CB-CB 4.13Å; V327-W331 PolarHBondContact N-O 3.33Å; D328-W331 PolarHBondContact N-O 2.88Å; D328-W331 PolarHBondContact OD1-N 2.86Å; W331-F343 WeakPolarHBondContact CA-O 3.22Å; W331-P344 HydrophobicContact CH2-CG 4.3Å; W331-P344 HydrophobicContact CZ3-CG 4.23Å
332F96.1Very high93.6Very high15 Ų1575.9 Ų75.97%0.06637%0.374CS..EExtended strand (participates in β ladder)trans-104.5153.2163.7-76-57.7000110.8L323 R326 Y342 F343 V345 V348 V350 L354L323-F332 HydrophobicContact CD2-CB 3.97Å; L323-F332 HydrophobicContact CD2-CD1 3.87Å; L323-F332 HydrophobicContact CD2-CD2 4.08Å; L323-F332 HydrophobicContact CD2-CE1 4.38Å; L323-F332 HydrophobicContact CD2-CG 3.73Å; R326-F332 HydrophobicContact CB-CD1 3.91Å; R326-F332 HydrophobicContact CB-CE1 3.79Å; R326-F332 HydrophobicContact CG-CD1 4.02Å; R326-F332 HydrophobicContact CG-CE1 3.79Å; F332-Y342 CarbonylContact O-C 3.52Å; F332-Y342 VanDerWaalsContact O-CA 3.23Å; F332-Y342 WeakPolarHBondContact O-CA 3.26Å; F332-F343 HydrophobicContact CB-CD2 4.09Å; F332-F343 HydrophobicContact CB-CE1 4.32Å; F332-F343 HydrophobicContact CB-CE2 3.56Å; F332-F343 HydrophobicContact CB-CZ 3.7Å; F332-F343 HydrophobicContact CD2-CE2 4.03Å; F332-F343 HydrophobicContact CG-CE2 4.24Å; F332-F343 PolarHBondContact N-O 2.98Å; F332-F343 PolarHBondContact O-N 3.41Å; F332-V345 HydrophobicContact CD2-CB 4.21Å; F332-V345 HydrophobicContact CD2-CG1 4.47Å; F332-V345 HydrophobicContact CD2-CG2 3.62Å; F332-V345 HydrophobicContact CE2-CB 4.06Å; F332-V345 HydrophobicContact CE2-CG1 3.82Å; F332-V345 HydrophobicContact CE2-CG2 3.65Å; F332-V345 HydrophobicContact CG-CG2 4.12Å; F332-V345 HydrophobicContact CZ-CG1 4.38Å; F332-V345 HydrophobicContact CZ-CG2 4.15Å; F332-V348 HydrophobicContact CD2-CG2 3.95Å; F332-V348 HydrophobicContact CE2-CG2 4.09Å; F332-V350 HydrophobicContact CE2-CG2 4Å; F332-V350 HydrophobicContact CZ-CG2 3.95Å; F332-L354 HydrophobicContact CD1-CD1 4.44Å; F332-L354 HydrophobicContact CE1-CD1 4.33Å
333E96Very high93.6Very high38 Ų3873.4 Ų73.418%0.17836%0.357CS..EExtended strand (participates in β ladder)trans-105.8134.7159.7-168-177.9169.200108.8I324 L325 V327 Y342I324-E333 HydrophobicContact CB-CB 4.48Å; I324-E333 HydrophobicContact CB-CG 4.46Å; I324-E333 WeakPolarHBondContact CB-O 3.17Å; I324-E333 HydrophobicContact CD1-CG 4.4Å; I324-E333 PolarHBondContact N-O 3.04Å; L325-E333 HydrophobicContact CD1-CB 4.43Å; L325-E333 WeakPolarHBondContact CD2-OE2 3.31Å; L325-E333 HydrophobicContact CG-CB 4.07Å; L325-E333 PolarHBondContact N-O 3.28Å; L325-E333 PolarHBondContact O-N 2.84Å; V327-E333 HydrophobicContact CG2-CB 4.26Å; E333-Y342 HydrophobicContact CB-CD1 3.79Å; E333-Y342 HydrophobicContact CB-CE1 3.83Å; E333-Y342 HydrophobicContact CG-CD1 3.93Å; E333-Y342 HydrophobicContact CG-CE1 3.74Å
334G95.7Very high93.6Very high0 Ų073.6 Ų73.60%036%0.359CS..EExtended strand (participates in β ladder)trans-151.7179.2177.900000113.3S322 K340 G341S322-G334 CarbonylContact O-C 3.58Å; S322-G334 WeakPolarHBondContact O-CA 3.27Å; G334-K340 VanDerWaalsContact O-CA 3.3Å; G334-K340 WeakPolarHBondContact O-CA 3.22Å; G334-G341 PolarHBondContact N-O 3.13Å; G334-G341 VanDerWaalsContact N-O 3.14Å; G334-G341 PolarHBondContact O-N 2.86Å
335E96.4Very high93.6Very high73 Ų7372.4 Ų72.434%0.34136%0.355SS..EExtended strand (participates in β ladder)trans-127.3129.7-178.9-168.7175.9153.400111.1S322 I324 R339 K340S322-E335 PolarHBondContact N-O 3.38Å; S322-E335 PolarHBondContact O-N 2.96Å; I324-E335 HydrophobicContact CD1-CB 4.22Å; E335-R339 VanDerWaalsContact CA-O 3.27Å; E335-R339 WeakPolarHBondContact CA-O 3.33Å; E335-K340 HydrophobicContact CB-CG 4.12Å; E335-K340 HydrophobicContact CG-CG 3.98Å; E335-K340 WeakPolarHBondContact OE2-CE 3.32Å; E335-K340 IonicContact OE2-NZ 3.6Å
336L94.7Very high93.7Very high18 Ų1874.5 Ų74.59%0.09437%0.366CS..EExtended strand (participates in β ladder)trans-136.9128.4173.4-177.367.1000108.9L313 F315 D319 I320 I321 G338 R339L313-L336 HydrophobicContact CD1-CB 4.31Å; L313-L336 HydrophobicContact CD2-CB 3.97Å; L313-L336 HydrophobicContact CG-CB 4.44Å; F315-L336 HydrophobicContact CB-CD2 3.61Å; D319-L336 HydrophobicContact CB-CD1 4.34Å; D319-L336 HydrophobicContact CB-CD2 4.09Å; I320-L336 WeakPolarHBondContact O-CD1 3.39Å; I321-L336 HydrophobicContact CG1-CB 4.43Å; I321-L336 HydrophobicContact CG1-CD1 4.47Å; I321-L336 HydrophobicContact CG1-CD2 4.39Å; L336-G338 PolarHBondContact O-N 2.98Å; L336-G338 VanDerWaalsContact O-N 3.13Å; L336-R339 PolarHBondContact N-O 2.94Å; L336-R339 PolarHBondContact O-N 2.98Å
337N91.2Very high93.8Very high152 Ų15271.8 Ų71.881%0.81336%0.356SS*.THydrogen-bonded Turntrans5235.2179.1-60.3-40.8000114.3R339N337-R339 VanDerWaalsContact C-N 3.26Å; N337-R339 PolarHBondContact O-N 2.86Å
338G90.1Very high94.1Very high60 Ų6069 Ų6962%0.61934%0.339SS*.THydrogen-bonded Turntrans77.82.2-179.600000115.1L336L336-G338 PolarHBondContact O-N 2.98Å; L336-G338 VanDerWaalsContact O-N 3.13Å
339R93.1Very high94.4Very high194 Ų19470.6 Ų70.673%0.73234%0.344SS*.EExtended strand (participates in β ladder)trans-98.3136.7170.3-79.9-169.9173.8-165.9-2.8110.4L313 E335 L336 N337L313-R339 HydrophobicContact CD1-CB 3.83Å; L313-R339 WeakPolarHBondContact CD1-O 3.15Å; E335-R339 VanDerWaalsContact CA-O 3.27Å; E335-R339 WeakPolarHBondContact CA-O 3.33Å; L336-R339 PolarHBondContact N-O 2.94Å; L336-R339 PolarHBondContact O-N 2.98Å; N337-R339 VanDerWaalsContact C-N 3.26Å; N337-R339 PolarHBondContact O-N 2.86Å
340K95.2Very high94.7Very high127 Ų12766.1 Ų66.155%0.55233%0.328SS*.EExtended strand (participates in β ladder)trans-106.9145.6173.2-64.1-176.5176.4-171.40109.9I324 G334 E335I324-K340 HydrophobicContact CD1-CD 3.71Å; I324-K340 HydrophobicContact CD1-CG 3.93Å; G334-K340 VanDerWaalsContact O-CA 3.3Å; G334-K340 WeakPolarHBondContact O-CA 3.22Å; E335-K340 HydrophobicContact CB-CG 4.12Å; E335-K340 HydrophobicContact CG-CG 3.98Å; E335-K340 WeakPolarHBondContact OE2-CE 3.32Å; E335-K340 IonicContact OE2-NZ 3.6Å
341G95.8Very high94.8Very high4 Ų465 Ų654%0.04132%0.321CS..EExtended strand (participates in β ladder)trans179.1175.8173.400000112.3S311 G334S311-G341 CarbonylContact O-C 3.47Å; S311-G341 WeakPolarHBondContact O-CA 3.42Å; G334-G341 PolarHBondContact N-O 3.13Å; G334-G341 VanDerWaalsContact N-O 3.14Å; G334-G341 PolarHBondContact O-N 2.86Å
342Y95.8Very high94.6Very high88 Ų8864.2 Ų64.235%0.34532%0.322SS..EExtended strand (participates in β ladder)trans-87.8148.8179.7-52.2-56.9000111.8S311 E312 L313 V327 F332 E333S311-Y342 VanDerWaalsContact O-CD2 3.31Å; S311-Y342 WeakPolarHBondContact O-CD2 3.3Å; S311-Y342 PolarHBondContact O-N 3.35Å; E312-Y342 WeakPolarHBondContact CA-O 3.49Å; L313-Y342 PolarHBondContact N-O 3.06Å; V327-Y342 HydrophobicContact CG2-CD1 3.71Å; V327-Y342 HydrophobicContact CG2-CE1 3.72Å; F332-Y342 CarbonylContact O-C 3.52Å; F332-Y342 VanDerWaalsContact O-CA 3.23Å; F332-Y342 WeakPolarHBondContact O-CA 3.26Å; E333-Y342 HydrophobicContact CB-CD1 3.79Å; E333-Y342 HydrophobicContact CB-CE1 3.83Å; E333-Y342 HydrophobicContact CG-CD1 3.93Å; E333-Y342 HydrophobicContact CG-CE1 3.74Å
343F96.4Very high94.3Very high0 Ų068.1 Ų68.10%035%0.349CS..EExtended strand (participates in β ladder)trans-152156.9171.252.7-89.6000112.9F305 L313 F315 I321 L323 W331 F332 V348F305-F343 HydrophobicContact CD1-CB 4.31Å; F305-F343 HydrophobicContact CE1-CB 4.3Å; L313-F343 HydrophobicContact CB-CD1 4.16Å; L313-F343 HydrophobicContact CD2-CD1 4.02Å; L313-F343 HydrophobicContact CD2-CE1 4.02Å; F315-F343 HydrophobicContact CE1-CB 3.55Å; F315-F343 HydrophobicContact CE1-CD1 4.4Å; F315-F343 HydrophobicContact CE1-CD2 4.15Å; F315-F343 AromaticContact CE1-CG 3.8Å; F315-F343 HydrophobicContact CE1-CG 3.8Å; F315-F343 HydrophobicContact CZ-CB 4.23Å; F315-F343 HydrophobicContact CZ-CD2 4.48Å; F315-F343 HydrophobicContact CZ-CG 4.5Å; I321-F343 HydrophobicContact CB-CZ 4.48Å; I321-F343 HydrophobicContact CD1-CE1 4.45Å; I321-F343 HydrophobicContact CD1-CE2 4.44Å; I321-F343 HydrophobicContact CD1-CZ 4.28Å; I321-F343 HydrophobicContact CG2-CE1 3.77Å; I321-F343 HydrophobicContact CG2-CZ 3.81Å; L323-F343 HydrophobicContact CD2-CE2 4.46Å; L323-F343 HydrophobicContact CD2-CZ 4Å; W331-F343 WeakPolarHBondContact CA-O 3.22Å; F332-F343 HydrophobicContact CB-CD2 4.09Å; F332-F343 HydrophobicContact CB-CE1 4.32Å; F332-F343 HydrophobicContact CB-CE2 3.56Å; F332-F343 HydrophobicContact CB-CZ 3.7Å; F332-F343 HydrophobicContact CD2-CE2 4.03Å; F332-F343 HydrophobicContact CG-CE2 4.24Å; F332-F343 PolarHBondContact N-O 2.98Å; F332-F343 PolarHBondContact O-N 3.41Å; F343-V348 HydrophobicContact CD2-CG1 3.86Å; F343-V348 HydrophobicContact CD2-CG2 4.39Å; F343-V348 HydrophobicContact CE2-CB 4.48Å; F343-V348 HydrophobicContact CE2-CG1 3.77Å; F343-V348 HydrophobicContact CE2-CG2 3.97Å
344P95.6Very high93.9Very high15 Ų1568.9 Ų68.910%0.09735%0.354CS..EExtended strand (participates in β ladder)trans-69.5136.1-177.4-19.132.9000112.8F305 N330 W331 N346 Y347F305-P344 HydrophobicContact CD2-CG 4.16Å; F305-P344 HydrophobicContact CE2-CG 3.65Å; F305-P344 HydrophobicContact CZ-CG 4.08Å; N330-P344 CarbonylContact O-C 3.59Å; N330-P344 WeakPolarHBondContact O-CA 3.34Å; W331-P344 HydrophobicContact CH2-CG 4.3Å; W331-P344 HydrophobicContact CZ3-CG 4.23Å; P344-N346 WeakPolarHBondContact CB-OD1 3.04Å; P344-N346 PolarHBondContact O-N 3.06Å; P344-Y347 HydrophobicContact CB-CD2 3.84Å; P344-Y347 HydrophobicContact CB-CE2 4.46Å; P344-Y347 HydrophobicContact CB-CG 4.5Å; P344-Y347 HydrophobicContact CG-CD2 4.11Å; P344-Y347 HydrophobicContact CG-CE2 4.46Å; P344-Y347 PolarHBondContact O-N 3.43Å; P344-Y347 VanDerWaalsContact O-N 3.14Å
345V94.6Very high92.9Very high37 Ų3774.3 Ų74.322%0.22439%0.392CS..G310 helixtrans-58.7-35.4177.91720000111.6N330 F332 Y347 V348N330-V345 VanDerWaalsContact C-CG2 3.43Å; N330-V345 WeakPolarHBondContact O-CG2 3.27Å; N330-V345 PolarHBondContact O-N 3Å; F332-V345 HydrophobicContact CD2-CB 4.21Å; F332-V345 HydrophobicContact CD2-CG1 4.47Å; F332-V345 HydrophobicContact CD2-CG2 3.62Å; F332-V345 HydrophobicContact CE2-CB 4.06Å; F332-V345 HydrophobicContact CE2-CG1 3.82Å; F332-V345 HydrophobicContact CE2-CG2 3.65Å; F332-V345 HydrophobicContact CG-CG2 4.12Å; F332-V345 HydrophobicContact CZ-CG1 4.38Å; F332-V345 HydrophobicContact CZ-CG2 4.15Å; V345-Y347 PolarHBondContact O-N 3.39Å; V345-V348 PolarHBondContact O-N 3.29Å
346N94.8Very high91.2Very high117 Ų11779.9 Ų79.963%0.62644%0.439SS*.G310 helixtrans-74-4.5-178.760.4-24.6000114.5P344P344-N346 WeakPolarHBondContact CB-OD1 3.04Å; P344-N346 PolarHBondContact O-N 3.06Å
347Y95.7Very high91Very high80 Ų8083 Ų8331%0.31446%0.457SS..G310 helixtrans-95.7-4.3176.1-84.1-117.9000113.4L302 F303 D304 F305 P344 V345L302-Y347 PolarHBondContact N-O 2.98Å; F303-Y347 HydrophobicContact CB-CD1 3.88Å; F303-Y347 HydrophobicContact CB-CE1 4.15Å; F303-Y347 HydrophobicContact CD2-CD1 4.42Å; F303-Y347 HydrophobicContact CD2-CG 4.49Å; D304-Y347 WeakPolarHBondContact O-CE1 3.45Å; F305-Y347 HydrophobicContact CB-CD1 3.92Å; F305-Y347 HydrophobicContact CB-CE1 4.33Å; F305-Y347 HydrophobicContact CD2-CD1 4.01Å; F305-Y347 AromaticContact CD2-CE1 3.95Å; F305-Y347 HydrophobicContact CD2-CE1 3.95Å; F305-Y347 HydrophobicContact CD2-CG 4.49Å; F305-Y347 HydrophobicContact CG-CD1 4.38Å; P344-Y347 HydrophobicContact CB-CD2 3.84Å; P344-Y347 HydrophobicContact CB-CE2 4.46Å; P344-Y347 HydrophobicContact CB-CG 4.5Å; P344-Y347 HydrophobicContact CG-CD2 4.11Å; P344-Y347 HydrophobicContact CG-CE2 4.46Å; P344-Y347 PolarHBondContact O-N 3.43Å; P344-Y347 VanDerWaalsContact O-N 3.14Å; V345-Y347 PolarHBondContact O-N 3.39Å
348V95.3Very high91Very high12 Ų1279.4 Ų79.47%0.07344%0.438CS..EExtended strand (participates in β ladder)trans-134.2154.8-172.8-590000112.8C299 K300 F315 I321 F332 F343 V345C299-V348 HydrophobicContact CB-CB 4.02Å; C299-V348 HydrophobicContact CB-CG2 4.12Å; K300-V348 CarbonylContact O-C 3.46Å; K300-V348 VanDerWaalsContact O-CA 3.25Å; K300-V348 WeakPolarHBondContact O-CA 3.23Å; F315-V348 HydrophobicContact CE2-CG1 4.38Å; F315-V348 HydrophobicContact CZ-CG1 4.03Å; I321-V348 HydrophobicContact CD1-CG1 4.29Å; F332-V348 HydrophobicContact CD2-CG2 3.95Å; F332-V348 HydrophobicContact CE2-CG2 4.09Å; F343-V348 HydrophobicContact CD2-CG1 3.86Å; F343-V348 HydrophobicContact CD2-CG2 4.39Å; F343-V348 HydrophobicContact CE2-CB 4.48Å; F343-V348 HydrophobicContact CE2-CG1 3.77Å; F343-V348 HydrophobicContact CE2-CG2 3.97Å; V345-V348 PolarHBondContact O-N 3.29Å
349E95.7Very high91.1Very high109 Ų10980.4 Ų80.451%0.50943%0.428SS..EExtended strand (participates in β ladder)trans-109.1120168.8179.7179.8-157.800109.1C299 K300 L302 I351C299-E349 CarbonylContact C-O 3.23Å; C299-E349 WeakPolarHBondContact CA-O 3.43Å; C299-E349 VanDerWaalsContact CB-O 3.27Å; C299-E349 WeakPolarHBondContact CB-O 3.43Å; K300-E349 PolarHBondContact N-O 2.89Å; K300-E349 PolarHBondContact O-N 3.13Å; L302-E349 HydrophobicContact CD1-CB 4.24Å; L302-E349 HydrophobicContact CD2-CB 3.97Å; L302-E349 HydrophobicContact CG-CB 4.13Å; E349-I351 PolarHBondContact O-N 3.14Å
350V93.9Very high91Very high63 Ų6373.8 Ų73.838%0.38241%0.41SS..EExtended strand (participates in β ladder)trans-71121.4178.8178.30000109.8C299 L323 F332 P353C299-V350 HydrophobicContact CB-CG2 4.46Å; L323-V350 HydrophobicContact CD1-CG1 4.06Å; L323-V350 HydrophobicContact CD1-CG2 4.25Å; F332-V350 HydrophobicContact CE2-CG2 4Å; F332-V350 HydrophobicContact CZ-CG2 3.95Å; V350-P353 HydrophobicContact CG1-CB 4.17Å
351I93.6Very high90.7Very high86 Ų8670.4 Ų70.444%0.44140%0.401SS..EExtended strand (participates in β ladder)trans-90.4-51.1176.1-62.5165.8000109.5S298 K300 I320 E349S298-I351 PolarHBondContact O-N 2.99Å; K300-I351 HydrophobicContact CB-CD1 3.79Å; K300-I351 HydrophobicContact CB-CG1 4.3Å; I320-I351 HydrophobicContact CD1-CD1 3.68Å; E349-I351 PolarHBondContact O-N 3.14Å
352N91.3Very high90.4Very high60 Ų6074.9 Ų74.932%0.32143%0.425SS..EExtended strand (participates in β ladder)trans-121.4113.8176.8-67.2-30.6000108.3V294 G296 P297 S298V294-N352 PolarHBondContact O-ND2 2.93Å; G296-N352 VanDerWaalsContact O-CB 3.31Å; G296-N352 WeakPolarHBondContact O-CB 2.98Å; G296-N352 PolarHBondContact O-ND2 2.88Å; P297-N352 CarbonylContact C-O 3.17Å; P297-N352 VanDerWaalsContact CA-O 3.22Å; P297-N352 WeakPolarHBondContact CA-O 3.31Å; S298-N352 PolarHBondContact N-O 2.85Å; S298-N352 PolarHBondContact O-N 3.05Å; S298-N352 PolarHBondContact OG-ND2 3.15Å
353P89.8Confident90Very high98 Ų9873.9 Ų73.964%0.63643%0.431SS*.PPolyproline II helixtrans-68.9154.8-178.226-32000112.4V350V350-P353 HydrophobicContact CG1-CB 4.17Å
354L86.6Confident89.5Confident54 Ų5479.6 Ų79.628%0.28346%0.464SS..PPolyproline II helixtrans-62.4136.8168-71.1161.1000109.5P297 L323 I324 L325 R326 F332 S356P297-L354 HydrophobicContact CB-CD2 3.75Å; P297-L354 HydrophobicContact CB-CG 4.2Å; P297-L354 HydrophobicContact CG-CD2 4.12Å; L323-L354 HydrophobicContact CB-CD1 4.44Å; L323-L354 HydrophobicContact CB-CD2 3.94Å; L323-L354 HydrophobicContact CB-CG 4.04Å; I324-L354 VanDerWaalsContact O-CD2 3.26Å; I324-L354 WeakPolarHBondContact O-CD2 3.31Å; L325-L354 VanDerWaalsContact C-CD1 3.44Å; R326-L354 HydrophobicContact CB-CD1 4.2Å; F332-L354 HydrophobicContact CD1-CD1 4.44Å; F332-L354 HydrophobicContact CE1-CD1 4.33Å; L354-S356 PolarHBondContact O-N 3.43Å
355S75.8Confident89Confident113 Ų11385 Ų8579%0.7950%0.495SS*.PPolyproline II helixtrans-66.4123.6170.5460000109.3
356S60.4Low88.4Confident191 Ų19189.4 Ų89.4100%1.33652%0.519SS*.  trans-61.10-178.248.90000114.9L354L354-S356 PolarHBondContact O-N 3.43Å

Retrieved 356 of 356 residues in 140.7 ms (Link to these results)

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