A0A093HIH1_STRCA Loading...

Nuclear transcription factor Y subunit gamma

Component of the sequence-specific heterotrimeric transcription factor (NF-Y) which specifically recognizes a 5'-CCAAT-3' box motif found in the promoters of its target genes. NF-Y can function as both an activator and a repressor, depending on its interacting cofactors.

AlphaFold DB , UniProt , Accession A0A093HIH1, Species STRCA (Struthio camelus australis), Gene n/a, Length 335 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
1M47.5Very low44.5Very low245 Ų245129.5 Ų129.5100%1.20782%0.821SS**  097.20-78.2167.2144.100107.3
2S40.7Very low46.4Very low125 Ų125124.3 Ų124.387%0.87478%0.783SS**  trans-127115.7167.9-61.60000105.6D4S2-D4 PolarHBondContact O-N 3.44Å
3T45.6Very low49.1Very low139 Ų139117.5 Ų117.585%0.85374%0.742SS**  trans-68.5119.7-170.345.60000110.8G5T3-G5 PolarHBondContact O-N 2.9Å
4D42.2Very low51.8Low148 Ų148117.4 Ų117.479%0.79173%0.733SS**  trans-60.3111.6161-173.4-23.3000108.3S2 S6S2-D4 PolarHBondContact O-N 3.44Å; D4-S6 WeakPolarHBondContact OD1-CB 3.34Å; D4-S6 PolarHBondContact OD1-N 3.23Å
5G42.2Very low54.2Low63 Ų63109.8 Ų109.865%0.64969%0.686SS**  trans-107.857.2171.500000109.7T3 F7T3-G5 PolarHBondContact O-N 2.9Å; G5-F7 VanDerWaalsContact C-N 3.32Å; G5-F7 PolarHBondContact O-N 3.24Å
6S37.4Very low56.5Low101 Ų101107.1 Ų107.171%0.70666%0.663SS**  trans-57.996.7165.1-172.30000109.1D4 G8D4-S6 WeakPolarHBondContact OD1-CB 3.34Å; D4-S6 PolarHBondContact OD1-N 3.23Å; S6-G8 PolarHBondContact O-N 2.88Å; S6-G8 VanDerWaalsContact O-N 3.14Å
7F44Very low58.6Low195 Ų195106.8 Ų106.886%0.85565%0.652SS**  trans-53.7116.2165.8-101.7-101.5000107.4G5 T9G5-F7 VanDerWaalsContact C-N 3.32Å; G5-F7 PolarHBondContact O-N 3.24Å; F7-T9 PolarHBondContact O-N 2.93Å
8G38.9Very low60.5Low71 Ų71103.9 Ų103.973%0.73264%0.637SS**  trans-51.6109.6174.900000109.7S6 A10S6-G8 PolarHBondContact O-N 2.88Å; S6-G8 VanDerWaalsContact O-N 3.14Å; G8-A10 PolarHBondContact O-N 3.14Å
9T41.6Very low62.3Low131 Ų131100.2 Ų100.280%0.80461%0.613SS**  trans-54.3111162.545.70000106.2F7 S11F7-T9 PolarHBondContact O-N 2.93Å; T9-S11 VanDerWaalsContact C-N 3.34Å; T9-S11 PolarHBondContact O-N 2.84Å
10A52.4Low63.9Low95 Ų95101.4 Ų101.479%0.78561%0.611SS**  trans-53.2105.3169.800000106.9G8 N12G8-A10 PolarHBondContact O-N 3.14Å; A10-N12 PolarHBondContact O-N 2.89Å
11S56.9Low65.4Low111 Ų11199.7 Ų99.778%0.77660%0.604SS**  trans-56.6107172.245.70000106.3T9 S13T9-S11 VanDerWaalsContact C-N 3.34Å; T9-S11 PolarHBondContact O-N 2.84Å; S11-S13 PolarHBondContact O-N 3Å; S11-S13 VanDerWaalsContact O-N 3.14Å
12N67.6Low67.8Low68 Ų6888.9 Ų88.936%0.36455%0.55SS.*  trans-50.3122.6174.7-101.5-51.7000107.5A10 Q16 Q17 Q20A10-N12 PolarHBondContact O-N 2.89Å; N12-Q16 HydrophobicContact CB-CB 4.25Å; N12-Q16 WeakPolarHBondContact OD1-CB 3.47Å; N12-Q16 VanDerWaalsContact OD1-CD 3.32Å; N12-Q16 PolarHBondContact OD1-OE1 3.32Å; N12-Q16 VanDerWaalsContact OD1-OE1 3.09Å; N12-Q17 HydrophobicContact CB-CG 4.01Å; N12-Q17 PolarHBondContact O-NE2 3.05Å; N12-Q20 PolarHBondContact ND2-NE2 2.92Å
13S81.8Confident70.4Confident36 Ų3687.9 Ų87.925%0.25253%0.527SS..  trans-56.9153.6178.7-1580000110.2S11 A15 Q16 Q17 E89S11-S13 PolarHBondContact O-N 3Å; S11-S13 VanDerWaalsContact O-N 3.14Å; S13-A15 PolarHBondContact O-N 3.44Å; S13-A15 VanDerWaalsContact O-N 3.09Å; S13-Q16 WeakPolarHBondContact O-CA 3.46Å; S13-Q16 WeakPolarHBondContact O-CB 3.49Å; S13-Q16 PolarHBondContact O-N 2.95Å; S13-Q17 PolarHBondContact O-N 2.92Å; S13-E89 WeakPolarHBondContact CB-OE2 3.41Å; S13-E89 PolarHBondContact OG-OE2 3.12Å
14D86.6Confident72.9Confident115 Ų11585.4 Ų85.462%0.61551%0.514SS*.Hα-helixtrans-53.9-34.8178.9-68-22.9000111.4Q17 S18D14-Q17 PolarHBondContact O-N 2.85Å; D14-S18 WeakPolarHBondContact O-CB 3.39Å; D14-S18 PolarHBondContact O-N 2.93Å; D14-S18 PolarHBondContact O-OG 2.82Å
15A86.8Confident75.5Confident4 Ų487 Ų873%0.03351%0.508CS..Hα-helixtrans-63.4-40.517300000113.6S13 S18 L19 I86 E89S13-A15 PolarHBondContact O-N 3.44Å; S13-A15 VanDerWaalsContact O-N 3.09Å; A15-S18 PolarHBondContact O-N 2.83Å; A15-L19 WeakPolarHBondContact O-CB 3.33Å; A15-L19 PolarHBondContact O-N 2.79Å; A15-I86 HydrophobicContact CB-CG1 3.76Å; A15-E89 WeakPolarHBondContact CB-OE2 3.47Å
16Q91.3Very high78Confident67 Ų6784.3 Ų84.331%0.31348%0.48SS..Hα-helixtrans-68.5-39.6177.6-67.9-177.9-63.800111.3N12 S13 L19 Q20 I86N12-Q16 HydrophobicContact CB-CB 4.25Å; N12-Q16 WeakPolarHBondContact OD1-CB 3.47Å; N12-Q16 VanDerWaalsContact OD1-CD 3.32Å; N12-Q16 PolarHBondContact OD1-OE1 3.32Å; N12-Q16 VanDerWaalsContact OD1-OE1 3.09Å; S13-Q16 WeakPolarHBondContact O-CA 3.46Å; S13-Q16 WeakPolarHBondContact O-CB 3.49Å; S13-Q16 PolarHBondContact O-N 2.95Å; Q16-L19 PolarHBondContact O-N 3.33Å; Q16-Q20 WeakPolarHBondContact O-CG 3.4Å; Q16-Q20 PolarHBondContact O-N 3.14Å; Q16-I86 HydrophobicContact CG-CD1 3.92Å; Q16-I86 HydrophobicContact CG-CG1 3.98Å; Q16-I86 HydrophobicContact CG-CG2 4.19Å
17Q93Very high80.8Confident102 Ų10284.6 Ų84.648%0.47747%0.471SS..Hα-helixtrans-64.7-42.3174.9-61.7178.734.500111.2N12 S13 D14 L19 Q20 S21N12-Q17 HydrophobicContact CB-CG 4.01Å; N12-Q17 PolarHBondContact O-NE2 3.05Å; S13-Q17 PolarHBondContact O-N 2.92Å; D14-Q17 PolarHBondContact O-N 2.85Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 3.28Å; Q17-Q20 PolarHBondContact O-N 3.39Å; Q17-S21 PolarHBondContact O-N 3.17Å; Q17-S21 PolarHBondContact O-OG 3.28Å
18S93.3Very high83.3Confident55 Ų5579.2 Ų79.239%0.38545%0.449SS..Hα-helixtrans-61.8-41175-60.10000111.7D14 A15 S21 F22D14-S18 WeakPolarHBondContact O-CB 3.39Å; D14-S18 PolarHBondContact O-N 2.93Å; D14-S18 PolarHBondContact O-OG 2.82Å; A15-S18 PolarHBondContact O-N 2.83Å; S18-S21 PolarHBondContact O-N 2.78Å; S18-S21 PolarHBondContact O-OG 3.37Å; S18-F22 WeakPolarHBondContact O-CB 3.31Å; S18-F22 PolarHBondContact O-N 2.96Å
19L94.1Very high85.8Confident33 Ų3379.3 Ų79.317%0.17343%0.43CS..Hα-helixtrans-67.1-38.2177.6-17464.2000112.5A15 Q16 Q17 S21 F22 E79 L82 R83 I86A15-L19 WeakPolarHBondContact O-CB 3.33Å; A15-L19 PolarHBondContact O-N 2.79Å; Q16-L19 PolarHBondContact O-N 3.33Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 3.28Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 3.43Å; L19-F22 VanDerWaalsContact O-CB 3.3Å; L19-F22 WeakPolarHBondContact O-CB 3.31Å; L19-F22 PolarHBondContact O-N 3.09Å; L19-E79 HydrophobicContact CD1-CG 4.29Å; L19-L82 HydrophobicContact CD1-CB 4.2Å; L19-R83 HydrophobicContact CD1-CG 3.86Å; L19-R83 HydrophobicContact CD2-CG 3.69Å; L19-R83 HydrophobicContact CG-CG 4.46Å; L19-I86 HydrophobicContact CD2-CD1 3.74Å
20Q94.4Very high88.3Confident124 Ų12476.5 Ų76.558%0.57941%0.409SS*.Hα-helixtrans-63.8-37.5177.7-74.4172.232.400112.5N12 Q16 Q17N12-Q20 PolarHBondContact ND2-NE2 2.92Å; Q16-Q20 WeakPolarHBondContact O-CG 3.4Å; Q16-Q20 PolarHBondContact O-N 3.14Å; Q17-Q20 PolarHBondContact O-N 3.39Å
21S95.9Very high90.3Very high66 Ų6680.3 Ų80.346%0.46240%0.404SS..Hα-helixtrans-88.2-6.4178.6580000113.9Q17 S18 L19 P24 R25Q17-S21 PolarHBondContact O-N 3.17Å; Q17-S21 PolarHBondContact O-OG 3.28Å; S18-S21 PolarHBondContact O-N 2.78Å; S18-S21 PolarHBondContact O-OG 3.37Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 3.43Å; S21-P24 WeakPolarHBondContact O-CD 3.34Å; S21-R25 VanDerWaalsContact O-CB 3.32Å; S21-R25 WeakPolarHBondContact O-CB 3.31Å; S21-R25 PolarHBondContact O-N 3.09Å; S21-R25 VanDerWaalsContact O-N 3.12Å
22F96.5Very high92Very high17 Ų1779.9 Ų79.98%0.07539%0.392CS..Hα-helixtrans-58.7-60.9-174.2174.8-104000112.8S18 L19 R25 V26 I75 T78 E79 L82S18-F22 WeakPolarHBondContact O-CB 3.31Å; S18-F22 PolarHBondContact O-N 2.96Å; L19-F22 VanDerWaalsContact O-CB 3.3Å; L19-F22 WeakPolarHBondContact O-CB 3.31Å; L19-F22 PolarHBondContact O-N 3.09Å; F22-R25 WeakPolarHBondContact O-CB 3.49Å; F22-R25 PolarHBondContact O-N 2.95Å; F22-V26 HydrophobicContact CD1-CG2 4.33Å; F22-V26 HydrophobicContact CD2-CG2 3.98Å; F22-V26 HydrophobicContact CE1-CG2 3.98Å; F22-V26 HydrophobicContact CE2-CG2 3.6Å; F22-V26 HydrophobicContact CG-CG2 4.33Å; F22-V26 HydrophobicContact CZ-CG2 3.62Å; F22-V26 WeakPolarHBondContact O-CG2 3.4Å; F22-V26 PolarHBondContact O-N 3.48Å; F22-I75 HydrophobicContact CE1-CG2 4.1Å; F22-I75 HydrophobicContact CZ-CG2 3.82Å; F22-T78 HydrophobicContact CD2-CG2 4.4Å; F22-T78 HydrophobicContact CE2-CG2 3.66Å; F22-T78 HydrophobicContact CZ-CG2 4.46Å; F22-E79 HydrophobicContact CD1-CB 4.32Å; F22-E79 HydrophobicContact CD1-CG 4.22Å; F22-E79 HydrophobicContact CE1-CB 3.59Å; F22-E79 HydrophobicContact CE1-CG 3.9Å; F22-E79 HydrophobicContact CZ-CB 3.78Å; F22-L82 HydrophobicContact CB-CD1 4.36Å; F22-L82 HydrophobicContact CD2-CD1 3.75Å; F22-L82 HydrophobicContact CE2-CD1 4.35Å; F22-L82 HydrophobicContact CG-CD1 4.2Å
23W96.4Very high93Very high104 Ų10478.9 Ų78.939%0.39439%0.387SS..Hα-helixtrans-64.4-43.6-176.2-81.5109.2000113.7R25 V26 M27 I75 E79W23-R25 VanDerWaalsContact C-N 3.26Å; W23-R25 PolarHBondContact O-N 3.23Å; W23-V26 HydrophobicContact CE3-CB 4.38Å; W23-V26 HydrophobicContact CE3-CG1 4.19Å; W23-V26 HydrophobicContact CZ3-CG1 4.13Å; W23-V26 PolarHBondContact O-N 3.2Å; W23-M27 WeakPolarHBondContact O-CB 3.45Å; W23-M27 WeakPolarHBondContact O-CG 3.36Å; W23-M27 PolarHBondContact O-N 3.48Å; W23-I75 HydrophobicContact CH2-CG2 3.84Å; W23-I75 HydrophobicContact CZ2-CG2 4.43Å; W23-I75 HydrophobicContact CZ3-CG2 4.14Å; W23-E79 WeakPolarHBondContact CZ2-OE2 3.44Å; W23-E79 VanDerWaalsContact NE1-CD 3.35Å; W23-E79 PolarHBondContact NE1-OE1 3.03Å
24P97.3Very high93.3Very high87 Ų8780.5 Ų80.557%0.56540%0.395SS*.Hα-helixtrans-53.6-43.4171.6-28.235.3000112.9S21 E28S21-P24 WeakPolarHBondContact O-CD 3.34Å; P24-E28 PolarHBondContact O-N 3.02Å; P24-E28 VanDerWaalsContact O-N 3.14Å
25R96.3Very high93Very high181 Ų18180.4 Ų80.468%0.68340%0.398SS*.Hα-helixtrans-67.4-46177.1178.4-176.7140.6173.1-4.4112.2S21 F22 W23 M27 E28 E29S21-R25 VanDerWaalsContact O-CB 3.32Å; S21-R25 WeakPolarHBondContact O-CB 3.31Å; S21-R25 PolarHBondContact O-N 3.09Å; S21-R25 VanDerWaalsContact O-N 3.12Å; F22-R25 WeakPolarHBondContact O-CB 3.49Å; F22-R25 PolarHBondContact O-N 2.95Å; W23-R25 VanDerWaalsContact C-N 3.26Å; W23-R25 PolarHBondContact O-N 3.23Å; R25-M27 VanDerWaalsContact C-N 3.32Å; R25-M27 PolarHBondContact O-N 2.94Å; R25-E28 PolarHBondContact O-N 2.95Å; R25-E29 WeakPolarHBondContact O-CB 3.46Å; R25-E29 PolarHBondContact O-N 3.03Å
26V95.9Very high92.7Very high8 Ų888 Ų885%0.04843%0.431CS..Hα-helixtrans-60.8-42.4178.7167.50000110.9F22 W23 E28 E29 I30 I75F22-V26 HydrophobicContact CD1-CG2 4.33Å; F22-V26 HydrophobicContact CD2-CG2 3.98Å; F22-V26 HydrophobicContact CE1-CG2 3.98Å; F22-V26 HydrophobicContact CE2-CG2 3.6Å; F22-V26 HydrophobicContact CG-CG2 4.33Å; F22-V26 HydrophobicContact CZ-CG2 3.62Å; F22-V26 WeakPolarHBondContact O-CG2 3.4Å; F22-V26 PolarHBondContact O-N 3.48Å; W23-V26 HydrophobicContact CE3-CB 4.38Å; W23-V26 HydrophobicContact CE3-CG1 4.19Å; W23-V26 HydrophobicContact CZ3-CG1 4.13Å; W23-V26 PolarHBondContact O-N 3.2Å; V26-E28 VanDerWaalsContact C-N 3.34Å; V26-E28 PolarHBondContact O-N 3.05Å; V26-E29 PolarHBondContact O-N 3.37Å; V26-I30 HydrophobicContact CG1-CD1 3.78Å; V26-I30 HydrophobicContact CG1-CG1 4.41Å; V26-I30 WeakPolarHBondContact O-CB 3.47Å; V26-I30 VanDerWaalsContact O-CG1 3.25Å; V26-I30 WeakPolarHBondContact O-CG1 3.5Å; V26-I30 PolarHBondContact O-N 3.39Å; V26-I75 HydrophobicContact CG1-CD1 3.7Å; V26-I75 HydrophobicContact CG1-CG1 3.94Å; V26-I75 HydrophobicContact CG1-CG2 4.06Å
27M96Very high92.2Very high107 Ų10788.4 Ų88.453%0.52744%0.435SS..Hα-helixtrans-65.3-38.7178.5-69.6-68.2-85.200112W23 R25 R31W23-M27 WeakPolarHBondContact O-CB 3.45Å; W23-M27 WeakPolarHBondContact O-CG 3.36Å; W23-M27 PolarHBondContact O-N 3.48Å; R25-M27 VanDerWaalsContact C-N 3.32Å; R25-M27 PolarHBondContact O-N 2.94Å; M27-R31 PolarHBondContact O-N 3.28Å
28E96Very high91.6Very high82 Ų8287.8 Ų87.838%0.38343%0.431SS..Hα-helixtrans-67.5-42.4174.4-171.658.3-150.600111.9P24 R25 V26 I30 R31 N32P24-E28 PolarHBondContact O-N 3.02Å; P24-E28 VanDerWaalsContact O-N 3.14Å; R25-E28 PolarHBondContact O-N 2.95Å; V26-E28 VanDerWaalsContact C-N 3.34Å; V26-E28 PolarHBondContact O-N 3.05Å; E28-I30 VanDerWaalsContact C-N 3.34Å; E28-I30 PolarHBondContact O-N 3.03Å; E28-R31 PolarHBondContact O-N 3.27Å; E28-R31 IonicContact OE1-NH1 2.76Å; E28-R31 IonicContact OE2-CZ 2.73Å; E28-R31 IonicContact OE2-NH1 2.64Å; E28-R31 PolarHBondContact OE2-NH1 3.38Å; E28-R31 IonicContact OE2-NH2 3.07Å; E28-N32 PolarHBondContact O-N 3.19Å; E28-N32 VanDerWaalsContact O-N 3.12Å; E28-N32 PolarHBondContact O-ND2 2.98Å; E28-N32 PolarHBondContact OE1-ND2 3.22Å
29E92.6Very high90.8Very high73 Ų7395.3 Ų95.334%0.34145%0.451SS..Hα-helixtrans-58.1-48.4174.6-171.1-174.5142.400110.5R25 V26 R31 N32 L33 K71R25-E29 WeakPolarHBondContact O-CB 3.46Å; R25-E29 PolarHBondContact O-N 3.03Å; V26-E29 PolarHBondContact O-N 3.37Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 2.77Å; E29-N32 CarbonylContact O-C 3.57Å; E29-N32 PolarHBondContact O-N 2.97Å; E29-N32 VanDerWaalsContact O-N 3.13Å; E29-L33 WeakPolarHBondContact O-CG 3.3Å; E29-L33 PolarHBondContact O-N 3.27Å; E29-L33 VanDerWaalsContact O-N 3.09Å; E29-K71 IonicContact OE1-NZ 3.46Å; E29-K71 PolarHBondContact OE1-NZ 3.42Å
30I93.3Very high90.1Very high72 Ų7299.5 Ų99.537%0.36948%0.477SS..Hα-helixtrans-59.9-41.7178-70.1167.9000111.6V26 E28 N32 L33 I75V26-I30 HydrophobicContact CG1-CD1 3.78Å; V26-I30 HydrophobicContact CG1-CG1 4.41Å; V26-I30 WeakPolarHBondContact O-CB 3.47Å; V26-I30 VanDerWaalsContact O-CG1 3.25Å; V26-I30 WeakPolarHBondContact O-CG1 3.5Å; V26-I30 PolarHBondContact O-N 3.39Å; E28-I30 VanDerWaalsContact C-N 3.34Å; E28-I30 PolarHBondContact O-N 3.03Å; I30-N32 PolarHBondContact O-N 2.68Å; I30-L33 HydrophobicContact CB-CD1 4.47Å; I30-L33 HydrophobicContact CG1-CD1 4.35Å; I30-L33 WeakPolarHBondContact O-CB 3.38Å; I30-L33 PolarHBondContact O-N 3.42Å; I30-I75 HydrophobicContact CD1-CD1 3.91Å
31R93.8Very high89.6Confident175 Ų17595.7 Ų95.766%0.6646%0.46SS*.Hα-helixtrans-63-32.8178.5-168.3-174.6-60135.910.5112.3M27 E28 E29M27-R31 PolarHBondContact O-N 3.28Å; E28-R31 PolarHBondContact O-N 3.27Å; E28-R31 IonicContact OE1-NH1 2.76Å; E28-R31 IonicContact OE2-CZ 2.73Å; E28-R31 IonicContact OE2-NH1 2.64Å; E28-R31 PolarHBondContact OE2-NH1 3.38Å; E28-R31 IonicContact OE2-NH2 3.07Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 2.77Å
32N92.8Very high89.2Confident101 Ų10199.6 Ų99.654%0.5447%0.471SS..Hα-helixtrans-92.6-0.4-178-66.2-45.1000113.7E28 E29 I30E28-N32 PolarHBondContact O-N 3.19Å; E28-N32 VanDerWaalsContact O-N 3.12Å; E28-N32 PolarHBondContact O-ND2 2.98Å; E28-N32 PolarHBondContact OE1-ND2 3.22Å; E29-N32 CarbonylContact O-C 3.57Å; E29-N32 PolarHBondContact O-N 2.97Å; E29-N32 VanDerWaalsContact O-N 3.13Å; I30-N32 PolarHBondContact O-N 2.68Å
33L89.3Confident89Confident47 Ų47101.3 Ų101.325%0.24648%0.481CS..  trans-62.4138177-76.7171.4000111.2E29 I30 D37E29-L33 WeakPolarHBondContact O-CG 3.3Å; E29-L33 PolarHBondContact O-N 3.27Å; E29-L33 VanDerWaalsContact O-N 3.09Å; I30-L33 HydrophobicContact CB-CD1 4.47Å; I30-L33 HydrophobicContact CG1-CD1 4.35Å; I30-L33 WeakPolarHBondContact O-CB 3.38Å; I30-L33 PolarHBondContact O-N 3.42Å; L33-D37 HydrophobicContact CD2-CB 3.57Å
34T87.6Confident89Confident71 Ų71100.5 Ų100.544%0.43649%0.489SS..  trans-114.7171.1177.273.90000111.2K36 D37 F38T34-K36 PolarHBondContact O-N 2.99Å; T34-K36 VanDerWaalsContact O-N 3.09Å; T34-K36 PolarHBondContact OG1-N 3.31Å; T34-D37 WeakPolarHBondContact CA-OD2 3.39Å; T34-D37 WeakPolarHBondContact CB-OD2 3.34Å; T34-D37 PolarHBondContact N-OD2 3Å; T34-D37 WeakPolarHBondContact O-CB 3.43Å; T34-D37 PolarHBondContact O-N 3.23Å; T34-D37 VanDerWaalsContact O-N 3.1Å; T34-D37 PolarHBondContact OG1-OD2 3.42Å; T34-F38 WeakPolarHBondContact O-CD2 3.16Å
35V80.7Confident88.9Confident112 Ų11299.4 Ų99.468%0.67948%0.478SS*.THydrogen-bonded Turntrans-58.2-26.1177.1-176.30000112.6F38V35-F38 PolarHBondContact O-N 3.16Å
36K81Confident88.9Confident164 Ų16494.7 Ų94.771%0.71348%0.477SS*.THydrogen-bonded Turntrans-69.8-35.1179.8-65.8-178.5-179.1177.70112T34 F38 R39T34-K36 PolarHBondContact O-N 2.99Å; T34-K36 VanDerWaalsContact O-N 3.09Å; T34-K36 PolarHBondContact OG1-N 3.31Å; K36-F38 PolarHBondContact O-N 3.32Å; K36-R39 WeakPolarHBondContact O-CB 3.38Å; K36-R39 PolarHBondContact O-N 2.96Å
37D81Confident89Confident75 Ų75101 Ų10140%0.40150%0.5SS..THydrogen-bonded Turntrans-67.5-18.7-179.4-53.4-70.3000111.8L33 T34 Q41L33-D37 HydrophobicContact CD2-CB 3.57Å; T34-D37 WeakPolarHBondContact CA-OD2 3.39Å; T34-D37 WeakPolarHBondContact CB-OD2 3.34Å; T34-D37 PolarHBondContact N-OD2 3Å; T34-D37 WeakPolarHBondContact O-CB 3.43Å; T34-D37 PolarHBondContact O-N 3.23Å; T34-D37 VanDerWaalsContact O-N 3.1Å; T34-D37 PolarHBondContact OG1-OD2 3.42Å; D37-Q41 PolarHBondContact O-NE2 3.38Å
38F78.5Confident89Confident89 Ų8997 Ų9739%0.3948%0.48SS..THydrogen-bonded Turntrans-80.1-15.5173.8-61.7-63.1000114.1T34 V35 K36 Q41 V67T34-F38 WeakPolarHBondContact O-CD2 3.16Å; V35-F38 PolarHBondContact O-N 3.16Å; K36-F38 PolarHBondContact O-N 3.32Å; F38-Q41 VanDerWaalsContact C-NE2 3.32Å; F38-Q41 PolarHBondContact O-NE2 3.17Å; F38-V67 HydrophobicContact CB-CG1 4.17Å; F38-V67 HydrophobicContact CD1-CG1 3.31Å; F38-V67 HydrophobicContact CE1-CG1 4.05Å; F38-V67 HydrophobicContact CG-CG1 4.06Å
39R77.6Confident89.1Confident214 Ų21498.1 Ų98.181%0.80848%0.484SS*.THydrogen-bonded Turntrans-81.6-28.2-178.1-64-169.6177.3-167-1.1113.6K36K36-R39 WeakPolarHBondContact O-CB 3.38Å; K36-R39 PolarHBondContact O-N 2.96Å
40V79.7Confident89.3Confident120 Ų120101 Ų10173%0.72750%0.496SS*.SBendtrans-115.1108.6178.9-176.90000107.4
41Q84.6Confident89.6Confident44 Ų44102 Ų10221%0.20650%0.501CS..  trans-108.9133.4179.6-62.4-60.9-34.300109.6D37 F38 L43 L45D37-Q41 PolarHBondContact O-NE2 3.38Å; F38-Q41 VanDerWaalsContact C-NE2 3.32Å; F38-Q41 PolarHBondContact O-NE2 3.17Å; Q41-L43 WeakPolarHBondContact CB-O 3.37Å; Q41-L43 PolarHBondContact O-N 2.93Å; Q41-L45 HydrophobicContact CB-CD2 4.46Å; Q41-L45 HydrophobicContact CG-CD1 4.49Å; Q41-L45 HydrophobicContact CG-CD2 4Å; Q41-L45 HydrophobicContact CG-CG 4.28Å
42E86.8Confident89.8Confident149 Ų14995.7 Ų95.770%0.69648%0.479SS*.SBendtrans-60.1-29.5172.2-65.8-64153.500111.8
43L92.7Very high90Very high53 Ų5395.3 Ų95.328%0.27747%0.473SS..SBendtrans-112.8135.5-177.2-60.7177.9000111.5Q41 L45 I48 A70 A73Q41-L43 WeakPolarHBondContact CB-O 3.37Å; Q41-L43 PolarHBondContact O-N 2.93Å; L43-L45 PolarHBondContact O-N 2.73Å; L43-I48 HydrophobicContact CB-CD1 3.97Å; L43-A70 HydrophobicContact CB-CB 4.42Å; L43-A73 HydrophobicContact CD1-CB 3.61Å
44P95.1Very high90.4Very high87 Ų8799.3 Ų99.357%0.56549%0.494SS*.  trans-69.6115.1-17824.9-31.6000111.9A46 R47 I48P44-A46 PolarHBondContact O-N 2.93Å; P44-A46 VanDerWaalsContact O-N 3.17Å; P44-R47 HydrophobicContact CB-CB 4.4Å; P44-R47 HydrophobicContact CG-CB 3.9Å; P44-R47 WeakPolarHBondContact O-CB 3.5Å; P44-R47 PolarHBondContact O-N 2.9Å; P44-I48 PolarHBondContact O-N 3.28Å
45L95.1Very high90.8Very high64 Ų64100.1 Ų100.134%0.33550%0.495SS..Hα-helixtrans-56-36.2-177.2-62.2-174.6000113.5Q41 L43 R47 I48 K49 P66 V67 A70Q41-L45 HydrophobicContact CB-CD2 4.46Å; Q41-L45 HydrophobicContact CG-CD1 4.49Å; Q41-L45 HydrophobicContact CG-CD2 4Å; Q41-L45 HydrophobicContact CG-CG 4.28Å; L43-L45 PolarHBondContact O-N 2.73Å; L45-R47 VanDerWaalsContact C-N 3.29Å; L45-R47 PolarHBondContact O-N 3.07Å; L45-I48 HydrophobicContact CD2-CD1 4.28Å; L45-I48 PolarHBondContact O-N 2.97Å; L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 PolarHBondContact O-N 3.45Å; L45-P66 HydrophobicContact CB-CB 4.4Å; L45-P66 HydrophobicContact CD2-CB 4.16Å; L45-P66 WeakPolarHBondContact CD2-O 3.41Å; L45-V67 HydrophobicContact CD1-CG2 3.95Å; L45-V67 HydrophobicContact CD2-CG2 4.31Å; L45-A70 HydrophobicContact CD2-CB 4.01Å
46A96.1Very high91.6Very high81 Ų81103.8 Ų103.867%0.66951%0.505SS*.Hα-helixtrans-62.3-36.5177.400000112.2P44 K50P44-A46 PolarHBondContact O-N 2.93Å; P44-A46 VanDerWaalsContact O-N 3.17Å; A46-K50 WeakPolarHBondContact O-CB 3.34Å; A46-K50 PolarHBondContact O-N 3.33Å
47R97.9Very high92.4Very high141 Ų141103 Ų10353%0.53251%0.509SS..Hα-helixtrans-71.4-41.8177.9-171.958.3172.9144.3-4.6111.1P44 L45 K50 I51P44-R47 HydrophobicContact CB-CB 4.4Å; P44-R47 HydrophobicContact CG-CB 3.9Å; P44-R47 WeakPolarHBondContact O-CB 3.5Å; P44-R47 PolarHBondContact O-N 2.9Å; L45-R47 VanDerWaalsContact C-N 3.29Å; L45-R47 PolarHBondContact O-N 3.07Å; R47-K50 PolarHBondContact O-N 3.36Å; R47-I51 HydrophobicContact CG-CD1 4.33Å; R47-I51 WeakPolarHBondContact O-CG1 3.22Å; R47-I51 PolarHBondContact O-N 2.91Å
48I97.7Very high93.1Very high22 Ų22101.5 Ų101.511%0.11350%0.502CS..Hα-helixtrans-58.5-51.6174.4-61.1172.1000109.6L43 P44 L45 K50 I51 M52 P66 F69 A70L43-I48 HydrophobicContact CB-CD1 3.97Å; P44-I48 PolarHBondContact O-N 3.28Å; L45-I48 HydrophobicContact CD2-CD1 4.28Å; L45-I48 PolarHBondContact O-N 2.97Å; I48-K50 VanDerWaalsContact C-N 3.27Å; I48-K50 PolarHBondContact O-N 3.29Å; I48-I51 PolarHBondContact O-N 3.47Å; I48-M52 HydrophobicContact CG2-CG 4.47Å; I48-M52 HydrophobicContact CG2-SD 4.15Å; I48-M52 WeakPolarHBondContact O-CG 3.29Å; I48-M52 PolarHBondContact O-N 2.83Å; I48-P66 HydrophobicContact CG2-CB 4.28Å; I48-F69 HydrophobicContact CG2-CB 3.66Å; I48-F69 HydrophobicContact CG2-CG 4.43Å; I48-A70 HydrophobicContact CD1-CB 3.57Å
49K97.2Very high93.8Very high106 Ų106105.8 Ų105.846%0.46152%0.52SS..Hα-helixtrans-57.5-39176.9-172176.6-178.9175.90112.3L45 M52 K53 I61 P66L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 PolarHBondContact O-N 3.45Å; K49-M52 PolarHBondContact O-N 3.01Å; K49-K53 WeakPolarHBondContact O-CB 3.34Å; K49-K53 WeakPolarHBondContact O-CG 3.5Å; K49-K53 PolarHBondContact O-N 3.09Å; K49-K53 VanDerWaalsContact O-N 3.12Å; K49-I61 HydrophobicContact CG-CD1 4.02Å; K49-P66 HydrophobicContact CB-CG 4.34Å
50K97.8Very high94.7Very high135 Ų135104 Ų10459%0.58752%0.523SS*.Hα-helixtrans-65.8-38176.4-172.6171.9-1791770112.4A46 R47 I48 K53 L54A46-K50 WeakPolarHBondContact O-CB 3.34Å; A46-K50 PolarHBondContact O-N 3.33Å; R47-K50 PolarHBondContact O-N 3.36Å; I48-K50 VanDerWaalsContact C-N 3.27Å; I48-K50 PolarHBondContact O-N 3.29Å; K50-K53 PolarHBondContact O-N 3.34Å; K50-L54 PolarHBondContact O-N 2.81Å
51I98.1Very high95.5Very high92 Ų9299.5 Ų99.547%0.47250%0.495SS..Hα-helixtrans-67.5-45.2175.6-68.1165000110.6R47 I48 K53 L54R47-I51 HydrophobicContact CG-CD1 4.33Å; R47-I51 WeakPolarHBondContact O-CG1 3.22Å; R47-I51 PolarHBondContact O-N 2.91Å; I48-I51 PolarHBondContact O-N 3.47Å; I51-K53 PolarHBondContact O-N 3.43Å; I51-K53 VanDerWaalsContact O-N 3.17Å; I51-L54 HydrophobicContact CG2-CD1 4.39Å; I51-L54 VanDerWaalsContact O-CB 3.27Å; I51-L54 WeakPolarHBondContact O-CB 3.27Å; I51-L54 WeakPolarHBondContact O-CG 3.4Å; I51-L54 PolarHBondContact O-N 3.44Å
52M98.1Very high96.1Very high43 Ų43100.6 Ų100.621%0.21251%0.508CS..Hα-helixtrans-58.8-28.6175.7-65.3175.772.200112.8I48 K49 L54 I61 A65 P66 F69I48-M52 HydrophobicContact CG2-CG 4.47Å; I48-M52 HydrophobicContact CG2-SD 4.15Å; I48-M52 WeakPolarHBondContact O-CG 3.29Å; I48-M52 PolarHBondContact O-N 2.83Å; K49-M52 PolarHBondContact O-N 3.01Å; M52-L54 VanDerWaalsContact C-N 3.35Å; M52-I61 HydrophobicContact CB-CD1 3.63Å; M52-I61 HydrophobicContact CE-CD1 4.31Å; M52-I61 HydrophobicContact CE-CG1 4.39Å; M52-I61 HydrophobicContact CE-CG2 3.74Å; M52-I61 HydrophobicContact SD-CD1 4.41Å; M52-I61 HydrophobicContact SD-CG2 4.11Å; M52-A65 HydrophobicContact CE-CB 4.01Å; M52-P66 HydrophobicContact SD-CG 4.37Å; M52-F69 HydrophobicContact CE-CD2 3.87Å; M52-F69 HydrophobicContact CE-CE2 3.67Å; M52-F69 HydrophobicContact CG-CD2 4.49Å; M52-F69 HydrophobicContact SD-CD2 3.76Å; M52-F69 HydrophobicContact SD-CE2 4.1Å
53K97.5Very high96.4Very high93 Ų9397.7 Ų97.740%0.40451%0.509SS..THydrogen-bonded Turntrans-84.4-0.7177.1-79.5-62.7-161.3157.70114.9K49 K50 I51 V58 K59 I61K49-K53 WeakPolarHBondContact O-CB 3.34Å; K49-K53 WeakPolarHBondContact O-CG 3.5Å; K49-K53 PolarHBondContact O-N 3.09Å; K49-K53 VanDerWaalsContact O-N 3.12Å; K50-K53 PolarHBondContact O-N 3.34Å; I51-K53 PolarHBondContact O-N 3.43Å; I51-K53 VanDerWaalsContact O-N 3.17Å; K53-V58 HydrophobicContact CD-CG1 4.3Å; K53-V58 WeakPolarHBondContact CD-O 3.5Å; K53-V58 WeakPolarHBondContact CE-O 3.31Å; K53-V58 PolarHBondContact NZ-O 3.15Å; K53-K59 VanDerWaalsContact NZ-C 3.31Å; K53-K59 PolarHBondContact NZ-O 3.5Å; K53-I61 HydrophobicContact CD-CD1 3.92Å; K53-I61 HydrophobicContact CG-CD1 3.68Å
54L97.4Very high96.4Very high130 Ų130102 Ų10268%0.68153%0.528SS*.THydrogen-bonded Turntrans-69.8-23.2171.3-64.5174.5000111.6K50 I51 M52K50-L54 PolarHBondContact O-N 2.81Å; I51-L54 HydrophobicContact CG2-CD1 4.39Å; I51-L54 VanDerWaalsContact O-CB 3.27Å; I51-L54 WeakPolarHBondContact O-CB 3.27Å; I51-L54 WeakPolarHBondContact O-CG 3.4Å; I51-L54 PolarHBondContact O-N 3.44Å; M52-L54 VanDerWaalsContact C-N 3.35Å
55D97.3Very high96.5Very high88 Ų8899 Ų9947%0.47151%0.511SS..SBendtrans-78.5120.4171.2-171.6-25.3000109.9D57 V58D55-D57 PolarHBondContact O-N 2.94Å; D55-D57 PolarHBondContact OD1-N 3.05Å; D55-V58 HydrophobicContact CB-CB 4.49Å; D55-V58 HydrophobicContact CB-CG2 3.78Å; D55-V58 PolarHBondContact O-N 3.45Å
56E96.5Very high96.5Very high189 Ų18996.4 Ų96.488%0.88350%0.497SS*.THydrogen-bonded Turntrans-64.8-26.1-176.8-62.8-172.5171.500112.5V58E56-V58 PolarHBondContact O-N 3.24Å
57D97.1Very high96.4Very high148 Ų14893.7 Ų93.779%0.79147%0.473SS*.THydrogen-bonded Turntrans-77.8-11-179.5-70.8-36.4000112.5D55 K59D55-D57 PolarHBondContact O-N 2.94Å; D55-D57 PolarHBondContact OD1-N 3.05Å; D57-K59 PolarHBondContact O-N 2.51Å
58V95.9Very high96.2Very high43 Ų4392.5 Ų92.526%0.26148%0.476SS..  trans-87.897.5-177.5-1790000111.7K53 D55 E56 I61K53-V58 HydrophobicContact CD-CG1 4.3Å; K53-V58 WeakPolarHBondContact CD-O 3.5Å; K53-V58 WeakPolarHBondContact CE-O 3.31Å; K53-V58 PolarHBondContact NZ-O 3.15Å; D55-V58 HydrophobicContact CB-CB 4.49Å; D55-V58 HydrophobicContact CB-CG2 3.78Å; D55-V58 PolarHBondContact O-N 3.45Å; E56-V58 PolarHBondContact O-N 3.24Å; V58-I61 HydrophobicContact CG1-CD1 3.86Å; V58-I61 HydrophobicContact CG1-CG1 3.56Å
59K94Very high96.2Very high179 Ų17996.8 Ų96.878%0.77849%0.494SS*.  trans-82.6-53.1179.6-65.3-176.2-176.61770115K53 D57K53-K59 VanDerWaalsContact NZ-C 3.31Å; K53-K59 PolarHBondContact NZ-O 3.5Å; D57-K59 PolarHBondContact O-N 2.51Å
60M95.7Very high96.1Very high176 Ų17691.9 Ų91.987%0.86747%0.473SS*.  trans-126.7142.9-179-69.3-67.3-83.400109.1
61I96.3Very high95.9Very high26 Ų2686.9 Ų86.913%0.13345%0.452CS..  trans-123.2121.5179.6-62.5169.9000107.1K49 M52 K53 V58 A65 P66K49-I61 HydrophobicContact CG-CD1 4.02Å; M52-I61 HydrophobicContact CB-CD1 3.63Å; M52-I61 HydrophobicContact CE-CD1 4.31Å; M52-I61 HydrophobicContact CE-CG1 4.39Å; M52-I61 HydrophobicContact CE-CG2 3.74Å; M52-I61 HydrophobicContact SD-CD1 4.41Å; M52-I61 HydrophobicContact SD-CG2 4.11Å; K53-I61 HydrophobicContact CD-CD1 3.92Å; K53-I61 HydrophobicContact CG-CD1 3.68Å; V58-I61 HydrophobicContact CG1-CD1 3.86Å; V58-I61 HydrophobicContact CG1-CG1 3.56Å; I61-A65 HydrophobicContact CG2-CB 4.16Å; I61-P66 HydrophobicContact CG2-CG 4.03Å
62S97.5Very high95.8Very high68 Ų6884.9 Ų84.948%0.47645%0.449SS..  trans-57.9146.9173.1177.50000110.6E64 A65 P66S62-E64 PolarHBondContact O-N 3.49Å; S62-E64 PolarHBondContact OG-N 3.24Å; S62-A65 PolarHBondContact O-N 2.99Å; S62-P66 WeakPolarHBondContact O-CD 3.19Å
63A92.9Very high95.8Very high88 Ų8884.3 Ų84.373%0.72745%0.451SS*.THydrogen-bonded Turntrans-61-25.3176.900000112.8
64E93.7Very high95.7Very high143 Ų14383 Ų8367%0.66845%0.446SS*.Hα-helixtrans-75.3-32-179.7-61.5173.315400112.6S62 V67 L68S62-E64 PolarHBondContact O-N 3.49Å; S62-E64 PolarHBondContact OG-N 3.24Å; E64-V67 WeakPolarHBondContact O-CB 3.22Å; E64-V67 PolarHBondContact O-N 2.98Å; E64-L68 PolarHBondContact O-N 3.04Å
65A96.3Very high95.6Very high25 Ų2577.9 Ų77.921%0.20742%0.419CS..Hα-helixtrans-64.9-46.1-172.100000113.3M52 I61 S62 V67 L68 F69M52-A65 HydrophobicContact CE-CB 4.01Å; I61-A65 HydrophobicContact CG2-CB 4.16Å; S62-A65 PolarHBondContact O-N 2.99Å; A65-V67 PolarHBondContact O-N 3.08Å; A65-L68 PolarHBondContact O-N 3.22Å; A65-F69 WeakPolarHBondContact O-CD2 3.38Å; A65-F69 PolarHBondContact O-N 3.24Å
66P95.8Very high95.7Very high8 Ų876.8 Ų76.85%0.05241%0.41CS..Hα-helixtrans-59.1-33.3174.5-26.135.7000113.5L45 I48 K49 M52 I61 S62 A70L45-P66 HydrophobicContact CB-CB 4.4Å; L45-P66 HydrophobicContact CD2-CB 4.16Å; L45-P66 WeakPolarHBondContact CD2-O 3.41Å; I48-P66 HydrophobicContact CG2-CB 4.28Å; K49-P66 HydrophobicContact CB-CG 4.34Å; M52-P66 HydrophobicContact SD-CG 4.37Å; I61-P66 HydrophobicContact CG2-CG 4.03Å; S62-P66 WeakPolarHBondContact O-CD 3.19Å; P66-A70 WeakPolarHBondContact O-CB 3.46Å; P66-A70 PolarHBondContact O-N 2.76Å
67V93.7Very high95.7Very high25 Ų2571.9 Ų71.915%0.15239%0.389CS..Hα-helixtrans-69.4-44.7179-179.80000110.5F38 L45 E64 A65 A70 K71F38-V67 HydrophobicContact CB-CG1 4.17Å; F38-V67 HydrophobicContact CD1-CG1 3.31Å; F38-V67 HydrophobicContact CE1-CG1 4.05Å; F38-V67 HydrophobicContact CG-CG1 4.06Å; L45-V67 HydrophobicContact CD1-CG2 3.95Å; L45-V67 HydrophobicContact CD2-CG2 4.31Å; E64-V67 WeakPolarHBondContact O-CB 3.22Å; E64-V67 PolarHBondContact O-N 2.98Å; A65-V67 PolarHBondContact O-N 3.08Å; V67-A70 WeakPolarHBondContact O-CB 3.19Å; V67-A70 PolarHBondContact O-N 2.91Å; V67-K71 PolarHBondContact O-N 3.35Å
68L94.2Very high95.7Very high116 Ų11667.9 Ų67.961%0.60737%0.37SS*.Hα-helixtrans-62.4-43.5174.4-67.4175.8000111.7E64 A65 A70 K71 A72E64-L68 PolarHBondContact O-N 3.04Å; A65-L68 PolarHBondContact O-N 3.22Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 3.36Å; L68-K71 PolarHBondContact O-N 3.04Å; L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 2.77Å
69F96.9Very high95.7Very high111 Ų11166 Ų6649%0.48736%0.359SS..Hα-helixtrans-63.7-36176-89.6-67.6000112.8I48 M52 A65 K71 A72 A73I48-F69 HydrophobicContact CG2-CB 3.66Å; I48-F69 HydrophobicContact CG2-CG 4.43Å; M52-F69 HydrophobicContact CE-CD2 3.87Å; M52-F69 HydrophobicContact CE-CE2 3.67Å; M52-F69 HydrophobicContact CG-CD2 4.49Å; M52-F69 HydrophobicContact SD-CD2 3.76Å; M52-F69 HydrophobicContact SD-CE2 4.1Å; A65-F69 WeakPolarHBondContact O-CD2 3.38Å; A65-F69 PolarHBondContact O-N 3.24Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.96Å; F69-A72 PolarHBondContact O-N 2.94Å; F69-A73 WeakPolarHBondContact O-CB 3.35Å; F69-A73 PolarHBondContact O-N 2.97Å
70A95.5Very high95.9Very high3 Ų358.5 Ų58.53%0.02533%0.327CS..Hα-helixtrans-59-48175.600000110.8L43 L45 I48 P66 V67 L68 Q74L43-A70 HydrophobicContact CB-CB 4.42Å; L45-A70 HydrophobicContact CD2-CB 4.01Å; I48-A70 HydrophobicContact CD1-CB 3.57Å; P66-A70 WeakPolarHBondContact O-CB 3.46Å; P66-A70 PolarHBondContact O-N 2.76Å; V67-A70 WeakPolarHBondContact O-CB 3.19Å; V67-A70 PolarHBondContact O-N 2.91Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 3.36Å; A70-Q74 PolarHBondContact O-N 3.35Å; A70-Q74 VanDerWaalsContact O-N 3.11Å
71K94.3Very high96Very high31 Ų3153 Ų5314%0.13530%0.303CS..Hα-helixtrans-67.8-44.8178.1-172.961.1178.6-175.30112.4E29 V67 L68 F69 A73 Q74 I75E29-K71 IonicContact OE1-NZ 3.46Å; E29-K71 PolarHBondContact OE1-NZ 3.42Å; V67-K71 PolarHBondContact O-N 3.35Å; L68-K71 PolarHBondContact O-N 3.04Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.96Å; K71-A73 VanDerWaalsContact C-N 3.34Å; K71-A73 PolarHBondContact O-N 3.22Å; K71-Q74 WeakPolarHBondContact O-CB 3.28Å; K71-Q74 PolarHBondContact O-N 3.41Å; K71-I75 HydrophobicContact CD-CD1 4.5Å; K71-I75 HydrophobicContact CG-CD1 4.09Å; K71-I75 WeakPolarHBondContact O-CG1 3.49Å; K71-I75 PolarHBondContact O-N 2.91Å; K71-I75 VanDerWaalsContact O-N 3.08Å
72A95.8Very high96Very high50 Ų5053.5 Ų53.541%0.41331%0.306SS..Hα-helixtrans-61.7-42.5178.700000111.8L68 F69 Q74 I75 F76L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 2.77Å; F69-A72 PolarHBondContact O-N 2.94Å; A72-Q74 PolarHBondContact O-N 2.95Å; A72-I75 PolarHBondContact O-N 3.46Å; A72-F76 VanDerWaalsContact O-CB 3.28Å; A72-F76 WeakPolarHBondContact O-CB 3.47Å; A72-F76 PolarHBondContact O-N 3.32Å
73A97.4Very high96Very high30 Ų3052.5 Ų52.525%0.24829%0.292CS..Hα-helixtrans-64.3-39.2176.900000111.9L43 F69 K71 F76 I77L43-A73 HydrophobicContact CD1-CB 3.61Å; F69-A73 WeakPolarHBondContact O-CB 3.35Å; F69-A73 PolarHBondContact O-N 2.97Å; K71-A73 VanDerWaalsContact C-N 3.34Å; K71-A73 PolarHBondContact O-N 3.22Å; A73-F76 PolarHBondContact O-N 2.91Å; A73-I77 WeakPolarHBondContact O-CB 3.21Å; A73-I77 WeakPolarHBondContact O-CG1 3.33Å; A73-I77 PolarHBondContact O-N 2.81Å
74Q95.3Very high96.2Very high67 Ų6748.3 Ų48.331%0.31326%0.257SS..Hα-helixtrans-59.2-47.5173.7-173.7-17012.400111.8A70 K71 A72 T78A70-Q74 PolarHBondContact O-N 3.35Å; A70-Q74 VanDerWaalsContact O-N 3.11Å; K71-Q74 WeakPolarHBondContact O-CB 3.28Å; K71-Q74 PolarHBondContact O-N 3.41Å; A72-Q74 PolarHBondContact O-N 2.95Å; Q74-T78 WeakPolarHBondContact O-CB 3.25Å; Q74-T78 PolarHBondContact O-N 2.95Å; Q74-T78 VanDerWaalsContact O-N 3.1Å; Q74-T78 PolarHBondContact O-OG1 3.45Å
75I96.4Very high96.3Very high22 Ų2245.2 Ų45.211%0.11324%0.24CC..Hα-helixtrans-62.4-49.1178.2-65.5164.4000109.7F22 W23 V26 I30 K71 A72 I77 T78 E79F22-I75 HydrophobicContact CE1-CG2 4.1Å; F22-I75 HydrophobicContact CZ-CG2 3.82Å; W23-I75 HydrophobicContact CH2-CG2 3.84Å; W23-I75 HydrophobicContact CZ2-CG2 4.43Å; W23-I75 HydrophobicContact CZ3-CG2 4.14Å; V26-I75 HydrophobicContact CG1-CD1 3.7Å; V26-I75 HydrophobicContact CG1-CG1 3.94Å; V26-I75 HydrophobicContact CG1-CG2 4.06Å; I30-I75 HydrophobicContact CD1-CD1 3.91Å; K71-I75 HydrophobicContact CD-CD1 4.5Å; K71-I75 HydrophobicContact CG-CD1 4.09Å; K71-I75 WeakPolarHBondContact O-CG1 3.49Å; K71-I75 PolarHBondContact O-N 2.91Å; K71-I75 VanDerWaalsContact O-N 3.08Å; A72-I75 PolarHBondContact O-N 3.46Å; I75-I77 PolarHBondContact O-N 3.38Å; I75-T78 PolarHBondContact O-N 2.84Å; I75-E79 PolarHBondContact O-N 3.26Å
76F97.7Very high96.3Very high64 Ų6445 Ų4528%0.28124%0.235SC..Hα-helixtrans-57.9-48.3179.7168.7-101000112.6A72 A73 T78 E79 L80 F111 F113 L114A72-F76 VanDerWaalsContact O-CB 3.28Å; A72-F76 WeakPolarHBondContact O-CB 3.47Å; A72-F76 PolarHBondContact O-N 3.32Å; A73-F76 PolarHBondContact O-N 2.91Å; F76-T78 VanDerWaalsContact C-N 3.31Å; F76-T78 PolarHBondContact O-N 2.87Å; F76-E79 PolarHBondContact O-N 2.84Å; F76-L80 HydrophobicContact CE1-CD2 4.23Å; F76-L80 HydrophobicContact CZ-CD2 3.89Å; F76-L80 VanDerWaalsContact O-CB 3.29Å; F76-L80 WeakPolarHBondContact O-CB 3.36Å; F76-L80 PolarHBondContact O-N 3.25Å; F76-F111 HydrophobicContact CD2-CE1 4.21Å; F76-F111 HydrophobicContact CE2-CD1 4.02Å; F76-F111 AromaticContact CE2-CE1 3.9Å; F76-F111 HydrophobicContact CE2-CE1 3.9Å; F76-F113 HydrophobicContact CE2-CE1 4.03Å; F76-F113 AromaticContact CE2-CZ 3.63Å; F76-F113 HydrophobicContact CE2-CZ 3.63Å; F76-F113 AromaticContact CZ-CZ 3.75Å; F76-F113 HydrophobicContact CZ-CZ 3.75Å; F76-L114 HydrophobicContact CE2-CD1 4.35Å; F76-L114 HydrophobicContact CZ-CD1 3.85Å
77I97.4Very high96.3Very high87 Ų8745.3 Ų45.345%0.44624%0.235SC..Hα-helixtrans-61.3-43.3178.4-69.2165.9000110.1A73 I75 T81A73-I77 WeakPolarHBondContact O-CB 3.21Å; A73-I77 WeakPolarHBondContact O-CG1 3.33Å; A73-I77 PolarHBondContact O-N 2.81Å; I75-I77 PolarHBondContact O-N 3.38Å; I77-T81 WeakPolarHBondContact O-CB 3.42Å; I77-T81 PolarHBondContact O-N 3.14Å; I77-T81 PolarHBondContact O-OG1 3.41Å
78T96.5Very high96.4Very high63 Ų6344.1 Ų44.139%0.38723%0.228SC..Hα-helixtrans-64.9-46.5-178.9-540000111.2F22 Q74 I75 F76 T81 L82F22-T78 HydrophobicContact CD2-CG2 4.4Å; F22-T78 HydrophobicContact CE2-CG2 3.66Å; F22-T78 HydrophobicContact CZ-CG2 4.46Å; Q74-T78 WeakPolarHBondContact O-CB 3.25Å; Q74-T78 PolarHBondContact O-N 2.95Å; Q74-T78 VanDerWaalsContact O-N 3.1Å; Q74-T78 PolarHBondContact O-OG1 3.45Å; I75-T78 PolarHBondContact O-N 2.84Å; F76-T78 VanDerWaalsContact C-N 3.31Å; F76-T78 PolarHBondContact O-N 2.87Å; T78-T81 PolarHBondContact O-N 2.65Å; T78-L82 HydrophobicContact CG2-CD1 4.35Å; T78-L82 WeakPolarHBondContact O-CG 3.49Å; T78-L82 PolarHBondContact O-N 3.3Å
79E97Very high96.4Very high4 Ų440.6 Ų40.62%0.01921%0.209CC..Hα-helixtrans-64.5-48.5179.3-172178-169.200112.2L19 F22 W23 I75 F76 T81 L82 R83 F111L19-E79 HydrophobicContact CD1-CG 4.29Å; F22-E79 HydrophobicContact CD1-CB 4.32Å; F22-E79 HydrophobicContact CD1-CG 4.22Å; F22-E79 HydrophobicContact CE1-CB 3.59Å; F22-E79 HydrophobicContact CE1-CG 3.9Å; F22-E79 HydrophobicContact CZ-CB 3.78Å; W23-E79 WeakPolarHBondContact CZ2-OE2 3.44Å; W23-E79 VanDerWaalsContact NE1-CD 3.35Å; W23-E79 PolarHBondContact NE1-OE1 3.03Å; I75-E79 PolarHBondContact O-N 3.26Å; F76-E79 PolarHBondContact O-N 2.84Å; E79-T81 PolarHBondContact O-N 3.32Å; E79-L82 PolarHBondContact O-N 3.19Å; E79-R83 WeakPolarHBondContact O-CG 3.21Å; E79-R83 PolarHBondContact O-N 3.12Å; E79-R83 IonicContact OE1-CZ 2.68Å; E79-R83 IonicContact OE1-NE 3.27Å; E79-R83 PolarHBondContact OE1-NE 2.78Å; E79-R83 IonicContact OE1-NH2 3.49Å; E79-R83 PolarHBondContact OE1-NH2 3.42Å; E79-F111 HydrophobicContact CG-CZ 4.48Å
80L97.6Very high96.3Very high22 Ų2239.5 Ų39.512%0.11521%0.208CC..Hα-helixtrans-59.1-41.2178.1179.261.2000110.5F76 R83 A84 I101 A104 I105 F111 L114F76-L80 HydrophobicContact CE1-CD2 4.23Å; F76-L80 HydrophobicContact CZ-CD2 3.89Å; F76-L80 VanDerWaalsContact O-CB 3.29Å; F76-L80 WeakPolarHBondContact O-CB 3.36Å; F76-L80 PolarHBondContact O-N 3.25Å; L80-R83 PolarHBondContact O-N 2.65Å; L80-A84 WeakPolarHBondContact O-CB 3.44Å; L80-A84 PolarHBondContact O-N 3.21Å; L80-I101 HydrophobicContact CD1-CG2 4.35Å; L80-I101 HydrophobicContact CD2-CG2 4.29Å; L80-I101 HydrophobicContact CG-CG2 4.46Å; L80-A104 HydrophobicContact CD1-CB 4.5Å; L80-I105 HydrophobicContact CD1-CG1 4.12Å; L80-F111 HydrophobicContact CB-CZ 4.4Å; L80-F111 HydrophobicContact CD1-CD2 3.89Å; L80-F111 HydrophobicContact CD1-CE2 3.72Å; L80-F111 HydrophobicContact CD1-CZ 4.27Å; L80-L114 HydrophobicContact CD2-CD1 4.4Å
81T97.3Very high96.2Very high60 Ų6043.5 Ų43.537%0.36823%0.229SC..Hα-helixtrans-65.4-44.2177.4-57.40000111.6I77 T78 E79 R83 A84 W85 L96I77-T81 WeakPolarHBondContact O-CB 3.42Å; I77-T81 PolarHBondContact O-N 3.14Å; I77-T81 PolarHBondContact O-OG1 3.41Å; T78-T81 PolarHBondContact O-N 2.65Å; E79-T81 PolarHBondContact O-N 3.32Å; T81-R83 VanDerWaalsContact C-N 3.34Å; T81-R83 PolarHBondContact O-N 3.49Å; T81-A84 PolarHBondContact O-N 3.1Å; T81-W85 WeakPolarHBondContact O-CB 3.12Å; T81-W85 PolarHBondContact O-N 2.85Å; T81-L96 HydrophobicContact CG2-CD2 4.05Å
82L96.8Very high96.3Very high37 Ų3750.6 Ų50.619%0.19426%0.26CS..Hα-helixtrans-60.3-43.7176-77.8172.1000111.7L19 F22 T78 E79 W85 I86L19-L82 HydrophobicContact CD1-CB 4.2Å; F22-L82 HydrophobicContact CB-CD1 4.36Å; F22-L82 HydrophobicContact CD2-CD1 3.75Å; F22-L82 HydrophobicContact CE2-CD1 4.35Å; F22-L82 HydrophobicContact CG-CD1 4.2Å; T78-L82 HydrophobicContact CG2-CD1 4.35Å; T78-L82 WeakPolarHBondContact O-CG 3.49Å; T78-L82 PolarHBondContact O-N 3.3Å; E79-L82 PolarHBondContact O-N 3.19Å; L82-W85 PolarHBondContact O-N 3.08Å; L82-I86 PolarHBondContact O-N 3.47Å
83R96.8Very high96.3Very high46 Ų4651.1 Ų51.117%0.17425%0.251CS..Hα-helixtrans-65.9-41.6178.2-70.7168.7179.7-967.8112.1L19 E79 L80 T81 W85 A104 F108 F111L19-R83 HydrophobicContact CD1-CG 3.86Å; L19-R83 HydrophobicContact CD2-CG 3.69Å; L19-R83 HydrophobicContact CG-CG 4.46Å; E79-R83 WeakPolarHBondContact O-CG 3.21Å; E79-R83 PolarHBondContact O-N 3.12Å; E79-R83 IonicContact OE1-CZ 2.68Å; E79-R83 IonicContact OE1-NE 3.27Å; E79-R83 PolarHBondContact OE1-NE 2.78Å; E79-R83 IonicContact OE1-NH2 3.49Å; E79-R83 PolarHBondContact OE1-NH2 3.42Å; L80-R83 PolarHBondContact O-N 2.65Å; T81-R83 VanDerWaalsContact C-N 3.34Å; T81-R83 PolarHBondContact O-N 3.49Å; R83-W85 VanDerWaalsContact C-N 3.35Å; R83-A104 HydrophobicContact CB-CB 4.01Å; R83-F108 VanDerWaalsContact CZ-CE1 3.49Å; R83-F108 VanDerWaalsContact NH2-CE1 3.27Å; R83-F111 VanDerWaalsContact CD-CE2 3.41Å
84A96.9Very high96.2Very high0 Ų060.6 Ų60.60%028%0.28CS..Hα-helixtrans-66.5-38.1174.500000111.7L80 T81 I86 H87 T88 L96 D100 I101 A104L80-A84 WeakPolarHBondContact O-CB 3.44Å; L80-A84 PolarHBondContact O-N 3.21Å; T81-A84 PolarHBondContact O-N 3.1Å; A84-I86 VanDerWaalsContact C-N 3.29Å; A84-I86 PolarHBondContact O-N 3.46Å; A84-H87 WeakPolarHBondContact O-CB 3.37Å; A84-H87 PolarHBondContact O-N 2.88Å; A84-T88 PolarHBondContact O-N 3.03Å; A84-L96 HydrophobicContact CB-CD1 3.8Å; A84-D100 HydrophobicContact CB-CB 4.23Å; A84-I101 HydrophobicContact CB-CB 4.49Å; A84-I101 HydrophobicContact CB-CG1 3.91Å; A84-A104 HydrophobicContact CB-CB 4.11Å
85W97.5Very high96.3Very high79 Ų7962.1 Ų62.130%0.29929%0.294SS..Hα-helixtrans-63.2-32.7-178.7-171.1-102.1000113.3T81 L82 R83 H87 T88 E89 L96T81-W85 WeakPolarHBondContact O-CB 3.12Å; T81-W85 PolarHBondContact O-N 2.85Å; L82-W85 PolarHBondContact O-N 3.08Å; R83-W85 VanDerWaalsContact C-N 3.35Å; W85-H87 PolarHBondContact O-N 3.28Å; W85-T88 HydrophobicContact CE3-CG2 4.06Å; W85-T88 HydrophobicContact CH2-CG2 4.28Å; W85-T88 HydrophobicContact CZ3-CG2 3.9Å; W85-T88 WeakPolarHBondContact O-CA 3.45Å; W85-T88 VanDerWaalsContact O-CB 3.31Å; W85-T88 WeakPolarHBondContact O-CB 3.48Å; W85-T88 PolarHBondContact O-N 3.39Å; W85-E89 VanDerWaalsContact NE1-CD 3.31Å; W85-E89 PolarHBondContact NE1-OE1 2.89Å; W85-E89 PolarHBondContact O-N 2.89Å; W85-L96 HydrophobicContact CE3-CB 4.06Å; W85-L96 HydrophobicContact CE3-CD1 4.33Å; W85-L96 HydrophobicContact CZ3-CB 4.01Å
86I96.2Very high96.3Very high20 Ų2063.9 Ų63.910%0.10330%0.304CS..Hα-helixtrans-52.1-43.2171.1-66165.6000110.5A15 Q16 L19 L82 A84 E89 D90A15-I86 HydrophobicContact CB-CG1 3.76Å; Q16-I86 HydrophobicContact CG-CD1 3.92Å; Q16-I86 HydrophobicContact CG-CG1 3.98Å; Q16-I86 HydrophobicContact CG-CG2 4.19Å; L19-I86 HydrophobicContact CD2-CD1 3.74Å; L82-I86 PolarHBondContact O-N 3.47Å; A84-I86 VanDerWaalsContact C-N 3.29Å; A84-I86 PolarHBondContact O-N 3.46Å; I86-E89 PolarHBondContact O-N 3.33Å; I86-D90 WeakPolarHBondContact O-CB 3.46Å; I86-D90 PolarHBondContact O-N 3.49Å
87H94.9Very high96.2Very high14 Ų1465.1 Ų65.17%0.06531%0.31CS..Hα-helixtrans-71.9-31.8178.3-66.1-57.8000113.7A84 W85 E89 N91 D100 M103A84-H87 WeakPolarHBondContact O-CB 3.37Å; A84-H87 PolarHBondContact O-N 2.88Å; W85-H87 PolarHBondContact O-N 3.28Å; H87-E89 VanDerWaalsContact C-N 3.34Å; H87-N91 WeakPolarHBondContact O-CB 3.36Å; H87-N91 PolarHBondContact O-N 3.29Å; H87-N91 VanDerWaalsContact O-N 3.16Å; H87-N91 PolarHBondContact O-ND2 3.45Å; H87-D100 HydrophobicContact CB-CB 4.18Å; H87-M103 HydrophobicContact CB-CE 3.51Å
88T96.1Very high96.1Very high0 Ų066.8 Ų66.80%031%0.311CS..Hα-helixtrans-61.4-45.4172.2-540000110.5A84 W85 N91 K92 R93 T95 L96 D100A84-T88 PolarHBondContact O-N 3.03Å; W85-T88 HydrophobicContact CE3-CG2 4.06Å; W85-T88 HydrophobicContact CH2-CG2 4.28Å; W85-T88 HydrophobicContact CZ3-CG2 3.9Å; W85-T88 WeakPolarHBondContact O-CA 3.45Å; W85-T88 VanDerWaalsContact O-CB 3.31Å; W85-T88 WeakPolarHBondContact O-CB 3.48Å; W85-T88 PolarHBondContact O-N 3.39Å; T88-N91 PolarHBondContact O-N 2.99Å; T88-K92 PolarHBondContact O-N 3.26Å; T88-R93 HydrophobicContact CG2-CB 3.89Å; T88-R93 WeakPolarHBondContact CG2-O 3.5Å; T88-R93 PolarHBondContact O-N 2.96Å; T88-T95 WeakPolarHBondContact CG2-O 3.37Å; T88-L96 VanDerWaalsContact OG1-CD1 3.27Å; T88-L96 WeakPolarHBondContact OG1-CD1 3.37Å; T88-D100 VanDerWaalsContact OG1-CG 3.27Å; T88-D100 PolarHBondContact OG1-OD2 3.09Å
89E95.1Very high96Very high43 Ų4366.1 Ų66.120%0.20131%0.305CS..Hα-helixtrans-69.6-39.9178.5-69.1-176.7158.900113.1S13 A15 W85 I86 H87 N91 K92S13-E89 WeakPolarHBondContact CB-OE2 3.41Å; S13-E89 PolarHBondContact OG-OE2 3.12Å; A15-E89 WeakPolarHBondContact CB-OE2 3.47Å; W85-E89 VanDerWaalsContact NE1-CD 3.31Å; W85-E89 PolarHBondContact NE1-OE1 2.89Å; W85-E89 PolarHBondContact O-N 2.89Å; I86-E89 PolarHBondContact O-N 3.33Å; H87-E89 VanDerWaalsContact C-N 3.34Å; E89-N91 PolarHBondContact O-N 3.33Å; E89-K92 WeakPolarHBondContact O-CA 3.27Å; E89-K92 PolarHBondContact O-N 2.88Å; E89-K92 PolarHBondContact O-NZ 2.82Å
90D93.4Very high95.9Very high87 Ų8765.9 Ų65.947%0.46530%0.304SS..Hα-helixtrans-56.1-42.5174.4-76.6-17.8000110.7I86 K92I86-D90 WeakPolarHBondContact O-CB 3.46Å; I86-D90 PolarHBondContact O-N 3.49Å; D90-K92 PolarHBondContact O-N 2.82Å
91N94.3Very high95.9Very high88 Ų8867.3 Ų67.347%0.47131%0.311SS..THydrogen-bonded Turntrans-79.57.3176.6-71.3-62.4000114.4H87 T88 E89 R93H87-N91 WeakPolarHBondContact O-CB 3.36Å; H87-N91 PolarHBondContact O-N 3.29Å; H87-N91 VanDerWaalsContact O-N 3.16Å; H87-N91 PolarHBondContact O-ND2 3.45Å; T88-N91 PolarHBondContact O-N 2.99Å; E89-N91 PolarHBondContact O-N 3.33Å; N91-R93 HydrophobicContact CB-CG 4.47Å; N91-R93 PolarHBondContact ND2-NH2 3.3Å; N91-R93 PolarHBondContact O-N 3.48Å; N91-R93 VanDerWaalsContact O-N 3.17Å
92K95Very high95.8Very high180 Ų18064.5 Ų64.578%0.78329%0.294SS*.THydrogen-bonded Turntrans56.928.5-179-49.4-61.5168.5-128.40113.6T88 E89 D90T88-K92 PolarHBondContact O-N 3.26Å; E89-K92 WeakPolarHBondContact O-CA 3.27Å; E89-K92 PolarHBondContact O-N 2.88Å; E89-K92 PolarHBondContact O-NZ 2.82Å; D90-K92 PolarHBondContact O-N 2.82Å
93R95.8Very high95.7Very high61 Ų6164.8 Ų64.823%0.2330%0.295CS..  trans-97.8158.8175.2-71.4-174.8-75.1102.1-1.6110.3T88 N91 T95 Q97 D100T88-R93 HydrophobicContact CG2-CB 3.89Å; T88-R93 WeakPolarHBondContact CG2-O 3.5Å; T88-R93 PolarHBondContact O-N 2.96Å; N91-R93 HydrophobicContact CB-CG 4.47Å; N91-R93 PolarHBondContact ND2-NH2 3.3Å; N91-R93 PolarHBondContact O-N 3.48Å; N91-R93 VanDerWaalsContact O-N 3.17Å; R93-T95 PolarHBondContact NH1-O 2.94Å; R93-Q97 VanDerWaalsContact CZ-OE1 3.25Å; R93-D100 IonicContact CZ-OD1 2.65Å; R93-D100 IonicContact CZ-OD2 3.7Å; R93-D100 IonicContact NH1-OD1 3.96Å; R93-D100 IonicContact NH1-OD2 3.33Å; R93-D100 PolarHBondContact NH1-OD2 3.44Å; R93-D100 IonicContact NH2-OD1 3.93Å; R93-D100 PolarHBondContact NH2-OD1 3.35Å; R93-D100 IonicContact NH2-OD2 3.64Å; R93-D100 PolarHBondContact NH2-OD2 3.27Å
94R95.9Very high95.6Very high229 Ų22962.8 Ų62.886%0.86429%0.288SS*.SBendtrans-118.212.7170.9-64.5-173174-162-2.5112.4
95T97.1Very high95.6Very high99 Ų9962.9 Ų62.961%0.60729%0.289SS*.SBendtrans-125.2114.7-179.9-52.80000107.4T88 R93T88-T95 WeakPolarHBondContact CG2-O 3.37Å; R93-T95 PolarHBondContact NH1-O 2.94Å
96L97.5Very high95.4Very high59 Ų5962 Ų6231%0.30929%0.292SS..  trans-65.6130.8175.7-177.565.5000109.3T81 A84 W85 T88 D100T81-L96 HydrophobicContact CG2-CD2 4.05Å; A84-L96 HydrophobicContact CB-CD1 3.8Å; W85-L96 HydrophobicContact CE3-CB 4.06Å; W85-L96 HydrophobicContact CE3-CD1 4.33Å; W85-L96 HydrophobicContact CZ3-CB 4.01Å; T88-L96 VanDerWaalsContact OG1-CD1 3.27Å; T88-L96 WeakPolarHBondContact OG1-CD1 3.37Å; L96-D100 HydrophobicContact CD1-CB 3.83Å
97Q95.9Very high95.2Very high89 Ų8968.7 Ų68.742%0.41632%0.32SS..  trans-118.8161.2-179-69.2-177.6-35.300111.5R93 N99 D100R93-Q97 VanDerWaalsContact CZ-OE1 3.25Å; Q97-N99 PolarHBondContact O-N 3.27Å; Q97-D100 PolarHBondContact N-OD2 3.11Å; Q97-D100 WeakPolarHBondContact O-CB 3.4Å; Q97-D100 PolarHBondContact O-N 3.29Å
98R94.8Very high95.1Very high122 Ų12270.4 Ų70.446%0.4633%0.328SS..Hα-helixtrans-55.8-37.5175-172.4-179.2-178.6-77.6-4112.4D100 I101 A102 P119R98-D100 VanDerWaalsContact C-N 3.26Å; R98-D100 PolarHBondContact O-N 3.46Å; R98-I101 WeakPolarHBondContact O-CB 3.09Å; R98-I101 PolarHBondContact O-N 3.13Å; R98-A102 PolarHBondContact O-N 3.21Å; R98-A102 VanDerWaalsContact O-N 3.08Å; R98-P119 PolarHBondContact NH1-O 3.29Å
99N94.3Very high94.9Very high49 Ų4976.2 Ų76.226%0.26236%0.359SS..Hα-helixtrans-64.5-29.1178.6-72.9-27.7000112.8Q97 A102 M103 E122Q97-N99 PolarHBondContact O-N 3.27Å; N99-A102 PolarHBondContact O-N 2.64Å; N99-M103 WeakPolarHBondContact O-CG 3.46Å; N99-M103 PolarHBondContact O-N 2.76Å; N99-E122 PolarHBondContact ND2-OE2 3.4Å
100D95.4Very high94.9Very high0 Ų079.3 Ų79.30%037%0.373CS..Hα-helixtrans-67.8-40.2175.4-62.1-39.7000111.7A84 H87 T88 R93 L96 Q97 R98 M103 A104A84-D100 HydrophobicContact CB-CB 4.23Å; H87-D100 HydrophobicContact CB-CB 4.18Å; T88-D100 VanDerWaalsContact OG1-CG 3.27Å; T88-D100 PolarHBondContact OG1-OD2 3.09Å; R93-D100 IonicContact CZ-OD1 2.65Å; R93-D100 IonicContact CZ-OD2 3.7Å; R93-D100 IonicContact NH1-OD1 3.96Å; R93-D100 IonicContact NH1-OD2 3.33Å; R93-D100 PolarHBondContact NH1-OD2 3.44Å; R93-D100 IonicContact NH2-OD1 3.93Å; R93-D100 PolarHBondContact NH2-OD1 3.35Å; R93-D100 IonicContact NH2-OD2 3.64Å; R93-D100 PolarHBondContact NH2-OD2 3.27Å; L96-D100 HydrophobicContact CD1-CB 3.83Å; Q97-D100 PolarHBondContact N-OD2 3.11Å; Q97-D100 WeakPolarHBondContact O-CB 3.4Å; Q97-D100 PolarHBondContact O-N 3.29Å; R98-D100 VanDerWaalsContact C-N 3.26Å; R98-D100 PolarHBondContact O-N 3.46Å; D100-M103 PolarHBondContact O-N 3.37Å; D100-M103 WeakPolarHBondContact OD1-CE 3.48Å; D100-A104 PolarHBondContact O-N 2.99Å
101I96.4Very high95.1Very high51 Ų5175.2 Ų75.226%0.26235%0.351SS..Hα-helixtrans-65-44.6175.4-59.4172.4000110L80 A84 R98 M103 A104 I105L80-I101 HydrophobicContact CD1-CG2 4.35Å; L80-I101 HydrophobicContact CD2-CG2 4.29Å; L80-I101 HydrophobicContact CG-CG2 4.46Å; A84-I101 HydrophobicContact CB-CB 4.49Å; A84-I101 HydrophobicContact CB-CG1 3.91Å; R98-I101 WeakPolarHBondContact O-CB 3.09Å; R98-I101 PolarHBondContact O-N 3.13Å; I101-M103 VanDerWaalsContact C-N 3.31Å; I101-M103 PolarHBondContact O-N 3.22Å; I101-A104 PolarHBondContact O-N 3.46Å; I101-I105 HydrophobicContact CG2-CD1 3.83Å; I101-I105 HydrophobicContact CG2-CG1 4.4Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.44Å; I101-I105 PolarHBondContact O-N 3.17Å
102A95.8Very high95.1Very high2 Ų274.8 Ų74.82%0.01735%0.349CS..Hα-helixtrans-60-40177.100000112.4R98 N99 T106 V118R98-A102 PolarHBondContact O-N 3.21Å; R98-A102 VanDerWaalsContact O-N 3.08Å; N99-A102 PolarHBondContact O-N 2.64Å; A102-T106 WeakPolarHBondContact O-CB 3.47Å; A102-T106 PolarHBondContact O-N 3.47Å; A102-T106 PolarHBondContact O-OG1 2.99Å; A102-V118 HydrophobicContact CB-CG1 4Å
103M94.5Very high95.1Very high43 Ų4372.6 Ų72.621%0.21234%0.34CS..Hα-helixtrans-66.2-42.9174.3-72.6-171.1-69.500112.4H87 N99 D100 I101 I105 T106 K107 L123H87-M103 HydrophobicContact CB-CE 3.51Å; N99-M103 WeakPolarHBondContact O-CG 3.46Å; N99-M103 PolarHBondContact O-N 2.76Å; D100-M103 PolarHBondContact O-N 3.37Å; D100-M103 WeakPolarHBondContact OD1-CE 3.48Å; I101-M103 VanDerWaalsContact C-N 3.31Å; I101-M103 PolarHBondContact O-N 3.22Å; M103-I105 PolarHBondContact O-N 3.38Å; M103-T106 WeakPolarHBondContact O-CB 3.45Å; M103-T106 PolarHBondContact O-N 2.95Å; M103-K107 PolarHBondContact O-N 3.27Å; M103-L123 HydrophobicContact CG-CD1 4.32Å; M103-L123 HydrophobicContact CG-CD2 3.54Å; M103-L123 HydrophobicContact SD-CD2 4.23Å
104A95.2Very high95.2Very high3 Ų370.7 Ų70.73%0.02533%0.334CS..Hα-helixtrans-61.4-43.9177.700000112.2L80 R83 A84 D100 I101 T106 K107 F108L80-A104 HydrophobicContact CD1-CB 4.5Å; R83-A104 HydrophobicContact CB-CB 4.01Å; A84-A104 HydrophobicContact CB-CB 4.11Å; D100-A104 PolarHBondContact O-N 2.99Å; I101-A104 PolarHBondContact O-N 3.46Å; A104-T106 VanDerWaalsContact C-N 3.32Å; A104-T106 PolarHBondContact O-N 3.06Å; A104-K107 PolarHBondContact O-N 3.23Å; A104-F108 PolarHBondContact O-N 3.33Å
105I95.8Very high94.9Very high2 Ų263.4 Ų63.41%0.0131%0.311CS..Hα-helixtrans-60.5-43.5174.5-67168.4000110.4L80 I101 M103 K107 F108 F111 L114 V118L80-I105 HydrophobicContact CD1-CG1 4.12Å; I101-I105 HydrophobicContact CG2-CD1 3.83Å; I101-I105 HydrophobicContact CG2-CG1 4.4Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.44Å; I101-I105 PolarHBondContact O-N 3.17Å; M103-I105 PolarHBondContact O-N 3.38Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 2.88Å; I105-F108 PolarHBondContact O-N 3.12Å; I105-F111 HydrophobicContact CB-CB 4.32Å; I105-F111 HydrophobicContact CG1-CB 4.15Å; I105-F111 HydrophobicContact CG2-CB 4.11Å; I105-L114 HydrophobicContact CD1-CB 3.85Å; I105-L114 HydrophobicContact CD1-CD1 3.8Å; I105-L114 HydrophobicContact CD1-CG 4.49Å; I105-L114 HydrophobicContact CG1-CB 4.46Å; I105-L114 HydrophobicContact CG1-CD1 4.01Å; I105-L114 HydrophobicContact CG2-CB 4.3Å; I105-V118 HydrophobicContact CD1-CB 3.93Å; I105-V118 HydrophobicContact CD1-CG1 4.28Å; I105-V118 HydrophobicContact CD1-CG2 3.73Å
106T93.4Very high94.7Very high61 Ų6165.5 Ų65.537%0.37432%0.319SS..Hα-helixtrans-63.2-32.3179.3-59.50000113.2A102 M103 A104 R120A102-T106 WeakPolarHBondContact O-CB 3.47Å; A102-T106 PolarHBondContact O-N 3.47Å; A102-T106 PolarHBondContact O-OG1 2.99Å; M103-T106 WeakPolarHBondContact O-CB 3.45Å; M103-T106 PolarHBondContact O-N 2.95Å; A104-T106 VanDerWaalsContact C-N 3.32Å; A104-T106 PolarHBondContact O-N 3.06Å; T106-R120 VanDerWaalsContact CG2-NH1 3.26Å; T106-R120 VanDerWaalsContact OG1-CZ 3.28Å; T106-R120 PolarHBondContact OG1-NH1 3.09Å
107K92.2Very high94.6Very high160 Ų16068.5 Ų68.570%0.69633%0.334SS*.Hα-helixtrans-86.2-11.3-176.9-74.8-161.1177.1-170.70114.3M103 A104 I105M103-K107 PolarHBondContact O-N 3.27Å; A104-K107 PolarHBondContact O-N 3.23Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 2.88Å
108F92.5Very high94.3Very high51 Ų5165.3 Ų65.322%0.22432%0.321CS..  trans-134.7107.7-174.6-164.1-123.5000111.1R83 A104 I105 Q110 F111R83-F108 VanDerWaalsContact CZ-CE1 3.49Å; R83-F108 VanDerWaalsContact NH2-CE1 3.27Å; A104-F108 PolarHBondContact O-N 3.33Å; I105-F108 PolarHBondContact O-N 3.12Å; F108-Q110 VanDerWaalsContact C-N 3.25Å; F108-Q110 HydrophobicContact CD1-CB 3.71Å; F108-Q110 HydrophobicContact CE1-CB 3.39Å; F108-Q110 HydrophobicContact CE1-CG 4.16Å; F108-Q110 HydrophobicContact CZ-CB 3.96Å; F108-Q110 PolarHBondContact O-N 3.4Å; F108-F111 HydrophobicContact CB-CD2 4Å; F108-F111 HydrophobicContact CB-CE2 4.34Å; F108-F111 HydrophobicContact CD1-CD1 4.32Å; F108-F111 AromaticContact CD1-CD2 3.8Å; F108-F111 HydrophobicContact CD1-CD2 3.8Å; F108-F111 HydrophobicContact CD1-CE1 4.18Å; F108-F111 AromaticContact CD1-CE2 3.67Å; F108-F111 HydrophobicContact CD1-CE2 3.67Å; F108-F111 HydrophobicContact CD1-CG 4.13Å; F108-F111 AromaticContact CD1-CZ 3.86Å; F108-F111 HydrophobicContact CD1-CZ 3.86Å; F108-F111 HydrophobicContact CE1-CE1 4.46Å; F108-F111 HydrophobicContact CE1-CZ 4.3Å; F108-F111 HydrophobicContact CG-CD2 4.4Å; F108-F111 HydrophobicContact CG-CE2 4.45Å; F108-F111 WeakPolarHBondContact O-CB 3.48Å; F108-F111 PolarHBondContact O-N 3.25Å
109D93.7Very high93.6Very high121 Ų12162.4 Ų62.465%0.64732%0.318SS*.G310 helixtrans-57.1-30.9-175.260.6-11.4000114.2F111 D112D109-F111 PolarHBondContact O-N 3.25Å; D109-D112 VanDerWaalsContact O-CB 3.31Å; D109-D112 WeakPolarHBondContact O-CB 3.36Å; D109-D112 PolarHBondContact O-N 3.25Å
110Q95Very high92.5Very high109 Ų10964.4 Ų64.451%0.50932%0.322SS..G310 helixtrans-56.7-22.9173.7-170.8178.673.700112.7F108 F113F108-Q110 VanDerWaalsContact C-N 3.25Å; F108-Q110 HydrophobicContact CD1-CB 3.71Å; F108-Q110 HydrophobicContact CE1-CB 3.39Å; F108-Q110 HydrophobicContact CE1-CG 4.16Å; F108-Q110 HydrophobicContact CZ-CB 3.96Å; F108-Q110 PolarHBondContact O-N 3.4Å; Q110-F113 WeakPolarHBondContact O-CD1 3.41Å
111F96.2Very high90.9Very high1 Ų171.7 Ų71.70%0.00436%0.36CS..G310 helixtrans-94.67.5178.3-59.2-30.8000114.1F76 E79 L80 R83 I105 F108 D109 F113 L114F76-F111 HydrophobicContact CD2-CE1 4.21Å; F76-F111 HydrophobicContact CE2-CD1 4.02Å; F76-F111 AromaticContact CE2-CE1 3.9Å; F76-F111 HydrophobicContact CE2-CE1 3.9Å; E79-F111 HydrophobicContact CG-CZ 4.48Å; L80-F111 HydrophobicContact CB-CZ 4.4Å; L80-F111 HydrophobicContact CD1-CD2 3.89Å; L80-F111 HydrophobicContact CD1-CE2 3.72Å; L80-F111 HydrophobicContact CD1-CZ 4.27Å; R83-F111 VanDerWaalsContact CD-CE2 3.41Å; I105-F111 HydrophobicContact CB-CB 4.32Å; I105-F111 HydrophobicContact CG1-CB 4.15Å; I105-F111 HydrophobicContact CG2-CB 4.11Å; F108-F111 HydrophobicContact CB-CD2 4Å; F108-F111 HydrophobicContact CB-CE2 4.34Å; F108-F111 HydrophobicContact CD1-CD1 4.32Å; F108-F111 AromaticContact CD1-CD2 3.8Å; F108-F111 HydrophobicContact CD1-CD2 3.8Å; F108-F111 HydrophobicContact CD1-CE1 4.18Å; F108-F111 AromaticContact CD1-CE2 3.67Å; F108-F111 HydrophobicContact CD1-CE2 3.67Å; F108-F111 HydrophobicContact CD1-CG 4.13Å; F108-F111 AromaticContact CD1-CZ 3.86Å; F108-F111 HydrophobicContact CD1-CZ 3.86Å; F108-F111 HydrophobicContact CE1-CE1 4.46Å; F108-F111 HydrophobicContact CE1-CZ 4.3Å; F108-F111 HydrophobicContact CG-CD2 4.4Å; F108-F111 HydrophobicContact CG-CE2 4.45Å; F108-F111 WeakPolarHBondContact O-CB 3.48Å; F108-F111 PolarHBondContact O-N 3.25Å; D109-F111 PolarHBondContact O-N 3.25Å; F111-F113 HydrophobicContact CD1-CE1 4.38Å; F111-F113 PolarHBondContact O-N 3.18Å; F111-F113 VanDerWaalsContact O-N 3.09Å; F111-L114 HydrophobicContact CB-CD1 4.2Å; F111-L114 WeakPolarHBondContact O-CB 3.42Å; F111-L114 PolarHBondContact O-N 3.2Å
112D94.2Very high88.9Confident78 Ų7875.8 Ų75.842%0.41738%0.378SS..G310 helixtrans-62.7-19.1-179.3-83.7-14.7000113.4D109 L114 I115 R120D109-D112 VanDerWaalsContact O-CB 3.31Å; D109-D112 WeakPolarHBondContact O-CB 3.36Å; D109-D112 PolarHBondContact O-N 3.25Å; D112-L114 PolarHBondContact O-N 3.26Å; D112-I115 VanDerWaalsContact O-CG1 3.31Å; D112-I115 WeakPolarHBondContact O-CG1 3.44Å; D112-I115 WeakPolarHBondContact O-CG2 3.42Å; D112-I115 PolarHBondContact O-N 3.03Å; D112-R120 IonicContact OD1-NH2 3.82Å
113F96.4Very high87.1Confident135 Ų13579 Ų7959%0.59240%0.395SS*.G310 helixtrans-62.8-9.9171.179.2-85.7000113.8F76 Q110 F111F76-F113 HydrophobicContact CE2-CE1 4.03Å; F76-F113 AromaticContact CE2-CZ 3.63Å; F76-F113 HydrophobicContact CE2-CZ 3.63Å; F76-F113 AromaticContact CZ-CZ 3.75Å; F76-F113 HydrophobicContact CZ-CZ 3.75Å; Q110-F113 WeakPolarHBondContact O-CD1 3.41Å; F111-F113 HydrophobicContact CD1-CE1 4.38Å; F111-F113 PolarHBondContact O-N 3.18Å; F111-F113 VanDerWaalsContact O-N 3.09Å
114L96.3Very high84.8Confident21 Ų2185.9 Ų85.911%0.1142%0.424CS..G310 helixtrans-100-0.8-179.5-61170000114.1F76 L80 I105 F111 D112 D116 I117 V118F76-L114 HydrophobicContact CE2-CD1 4.35Å; F76-L114 HydrophobicContact CZ-CD1 3.85Å; L80-L114 HydrophobicContact CD2-CD1 4.4Å; I105-L114 HydrophobicContact CD1-CB 3.85Å; I105-L114 HydrophobicContact CD1-CD1 3.8Å; I105-L114 HydrophobicContact CD1-CG 4.49Å; I105-L114 HydrophobicContact CG1-CB 4.46Å; I105-L114 HydrophobicContact CG1-CD1 4.01Å; I105-L114 HydrophobicContact CG2-CB 4.3Å; F111-L114 HydrophobicContact CB-CD1 4.2Å; F111-L114 WeakPolarHBondContact O-CB 3.42Å; F111-L114 PolarHBondContact O-N 3.2Å; D112-L114 PolarHBondContact O-N 3.26Å; L114-D116 PolarHBondContact O-N 3.28Å; L114-I117 PolarHBondContact O-N 2.93Å; L114-V118 PolarHBondContact O-N 2.97Å
115I90.8Very high82.6Confident75 Ų7590.7 Ų90.739%0.38546%0.455SS..THydrogen-bonded Turntrans-57.2-38.5-17560-175.6000113.1D112 I117D112-I115 VanDerWaalsContact O-CG1 3.31Å; D112-I115 WeakPolarHBondContact O-CG1 3.44Å; D112-I115 WeakPolarHBondContact O-CG2 3.42Å; D112-I115 PolarHBondContact O-N 3.03Å; I115-I117 VanDerWaalsContact C-N 3.29Å; I115-I117 PolarHBondContact O-N 3.28Å
116D92.8Very high80.4Confident144 Ų14496.7 Ų96.777%0.7749%0.493SS*.THydrogen-bonded Turntrans-80.1-15.1-179-60.1-38.6000112.4L114L114-D116 PolarHBondContact O-N 3.28Å
117I94.3Very high77.9Confident122 Ų122103 Ų10363%0.62652%0.516SS*.THydrogen-bonded Turntrans-93.3-35.1-178.5-52.3-56.9000111.2L114 I115 P119L114-I117 PolarHBondContact O-N 2.93Å; I115-I117 VanDerWaalsContact C-N 3.29Å; I115-I117 PolarHBondContact O-N 3.28Å; I117-P119 VanDerWaalsContact C-CD 3.46Å; I117-P119 WeakPolarHBondContact O-CD 3.43Å
118V91.1Very high75.7Confident22 Ų22106.6 Ų106.613%0.13353%0.525CS..SBendtrans-115.884.4-178.1-172.10000109.7A102 I105 L114 R120A102-V118 HydrophobicContact CB-CG1 4Å; I105-V118 HydrophobicContact CD1-CB 3.93Å; I105-V118 HydrophobicContact CD1-CG1 4.28Å; I105-V118 HydrophobicContact CD1-CG2 3.73Å; L114-V118 PolarHBondContact O-N 2.97Å; V118-R120 PolarHBondContact O-N 3.41Å
119P80.3Confident73.3Confident61 Ų61113.3 Ų113.340%0.39656%0.557SS.*  trans-52.3134.4175.41.5-17000112.2R98 I117R98-P119 PolarHBondContact NH1-O 3.29Å; I117-P119 VanDerWaalsContact C-CD 3.46Å; I117-P119 WeakPolarHBondContact O-CD 3.43Å
120R70.7Confident70.8Confident91 Ų91116.3 Ų116.334%0.34357%0.567SS.*  trans-90.18-172.4-60.9-174.6178.6-151.93.5113.8T106 D112 V118 E122 L123T106-R120 VanDerWaalsContact CG2-NH1 3.26Å; T106-R120 VanDerWaalsContact OG1-CZ 3.28Å; T106-R120 PolarHBondContact OG1-NH1 3.09Å; D112-R120 IonicContact OD1-NH2 3.82Å; V118-R120 PolarHBondContact O-N 3.41Å; R120-E122 PolarHBondContact O-N 3.2Å; R120-L123 PolarHBondContact O-N 3.1Å
121D61.8Low68.5Low152 Ų152119.5 Ų119.581%0.81358%0.582SS**THydrogen-bonded Turntrans-59.43.1-162.5-79.8-50.2000118.1
122E55Low66Low138 Ų138124.9 Ų124.965%0.64562%0.615SS**THydrogen-bonded Turntrans-122.73.6179.1-64.5-172.9173.700114.8N99 R120 K124N99-E122 PolarHBondContact ND2-OE2 3.4Å; R120-E122 PolarHBondContact O-N 3.2Å; E122-K124 PolarHBondContact O-N 2.67Å
123L57.6Low63.4Low68 Ų68132 Ų13236%0.35664%0.636SS.*  trans-79.859.2174.2-60.9177.6000110.6M103 R120 P125M103-L123 HydrophobicContact CG-CD1 4.32Å; M103-L123 HydrophobicContact CG-CD2 3.54Å; M103-L123 HydrophobicContact SD-CD2 4.23Å; R120-L123 PolarHBondContact O-N 3.1Å; L123-P125 WeakPolarHBondContact O-CD 3.43Å; L123-P125 VanDerWaalsContact O-N 3.14Å
124K45.7Very low60.9Low189 Ų189134.6 Ų134.682%0.82265%0.65SS**  trans-56.7119.2165.5-134.8168.6-170.6167.30106E122E122-K124 PolarHBondContact O-N 2.67Å
125P49Very low57.9Low104 Ų104138.6 Ų138.668%0.67569%0.685SS**  trans-56.2136.7-179.220.4-30.4000108.3L123 K127L123-P125 WeakPolarHBondContact O-CD 3.43Å; L123-P125 VanDerWaalsContact O-N 3.14Å; P125-K127 PolarHBondContact O-N 2.75Å
126P50.4Low55.6Low127 Ų127140.8 Ų140.883%0.82570%0.702SS**  trans-58.1110.1176.423.2-30.6000106.6R128P126-R128 VanDerWaalsContact C-N 3.32Å; P126-R128 PolarHBondContact O-N 3.47Å
127K39.5Very low53Low193 Ų193140.2 Ų140.284%0.83970%0.704SS**  trans-59.4107.3166.3-74.6-171.9176.4-175.40104.8P125 Q129P125-K127 PolarHBondContact O-N 2.75Å; K127-Q129 VanDerWaalsContact C-N 3.3Å; K127-Q129 PolarHBondContact O-N 3.41Å
128R46.8Very low50.5Low237 Ų237140.3 Ų140.389%0.89471%0.713SS**  trans-51.3101.3167.8-152-178.2-77.3145.9-7.8105P126 E130P126-R128 VanDerWaalsContact C-N 3.32Å; P126-R128 PolarHBondContact O-N 3.47Å; R128-E130 PolarHBondContact O-N 2.62Å
129Q41.5Very low48Very low192 Ų192143.8 Ų143.890%0.89774%0.743SS**  trans-69.890.1172.6-94.6177.7-18.300105.4K127 E131K127-Q129 VanDerWaalsContact C-N 3.3Å; K127-Q129 PolarHBondContact O-N 3.41Å; Q129-E131 PolarHBondContact O-N 2.99Å
130E42Very low46.1Very low184 Ų184149.1 Ų149.186%0.8676%0.763SS**  trans-65.2110.7161.5-154.7163.9157.200105.9R128R128-E130 PolarHBondContact O-N 2.62Å
131E47Very low45Very low175 Ų175149.1 Ų149.182%0.81878%0.775SS**  trans-58.8156.7173-164.6177.1120.100109.8Q129Q129-E131 PolarHBondContact O-N 2.99Å
132V43.6Very low44.1Very low114 Ų114148.1 Ų148.169%0.69177%0.774SS**  trans105.7114.2161.2-149.60000116.7
133R39.3Very low43.4Very low228 Ų228147.7 Ų147.786%0.8677%0.772SS**  trans113.574.1151.1-54.6-165.9179.3-164.9-2.2117.6
134Q42.8Very low42.7Very low190 Ų190154.3 Ų154.389%0.88879%0.794SS**  37.6105.4111.9-156.1161.837.100117.8
135A33.5Very low42.7Very low104 Ų104155.1 Ų155.186%0.8679%0.793SS**  trans-149.2120.114400000109
136V43Very low42.3Very low122 Ų122157.3 Ų157.374%0.73979%0.792SS**  trans-87.4144.2173.6178.60000108.2
137T38.3Very low41.9Very low132 Ų132156.5 Ų156.581%0.8179%0.785SS**  trans146.3159148.254.80000111.5
138P41.5Very low41.9Very low124 Ų124154.9 Ų154.981%0.80579%0.785SS**  -118.8168.7-79.922.20.5000113
139A39.6Very low41.6Very low94 Ų94147.3 Ų147.378%0.77777%0.773SS**  trans-69.2152.7-177.700000115.4
140E39.1Very low41.8Very low174 Ų174145.6 Ų145.681%0.81377%0.765SS**  trans155162132.3-84.3-123.9126.400113
141P47.2Very low41.6Very low91 Ų91145.7 Ų145.759%0.59177%0.766SS**  cis-128.7148.8-4.730.3-10.3000115.3Q143P141-Q143 VanDerWaalsContact C-N 3.35Å; P141-Q143 HydrophobicContact CB-CB 4.38Å; P141-Q143 HydrophobicContact CB-CG 4.28Å; P141-Q143 PolarHBondContact O-N 3.17Å
142V43.7Very low41.3Very low130 Ų130143.6 Ų143.679%0.78877%0.767SS**  trans-97.144.6173.6-172.40000110.3
143Q39.8Very low40.9Very low130 Ų130142.3 Ų142.361%0.60777%0.769SS**  trans-87.7-17.8-172.6-90.5-81.2-18.200114.7P141 Y145P141-Q143 VanDerWaalsContact C-N 3.35Å; P141-Q143 HydrophobicContact CB-CB 4.38Å; P141-Q143 HydrophobicContact CB-CG 4.28Å; P141-Q143 PolarHBondContact O-N 3.17Å; Q143-Y145 PolarHBondContact O-N 3.39Å
144Y44.1Very low40.7Very low207 Ų207136.1 Ų136.181%0.81277%0.766SS**SBendtrans-80.5-18.2-172.2-106.7-91.3000115.5
145Y44.1Very low40.2Very low206 Ų206133.4 Ų133.481%0.80876%0.762SS**SBendtrans-93.9-14.7-174.2-73.2-88.1000114.1Q143Q143-Y145 PolarHBondContact O-N 3.39Å
146F42.2Very low40.4Very low150 Ų150137.3 Ų137.366%0.65876%0.763SS**SBendtrans-88.6-14.6-177.4-155.6-99.1000113.7
147T41.9Very low39.8Very low109 Ų109138.2 Ų138.267%0.66977%0.768SS**THydrogen-bonded Turntrans-85.3-12.4-175.3-48.60000114.1
148L39.6Very low39.5Very low159 Ų159140.9 Ų140.983%0.83277%0.771SS**THydrogen-bonded Turntrans-88.1-5.1174.9-87.980.3000114
149A40.8Very low38.9Very low79 Ų79138.7 Ų138.765%0.65377%0.771SS**SBendtrans-963.8-172.700000115.3
150Q45.1Very low38.6Very low155 Ų155142.9 Ų142.972%0.72478%0.775SS**  trans-132.691.3177.9-79.7-175.288.800111.9
151Q37.8Very low38.3Very low187 Ų187143.1 Ų143.187%0.87478%0.776SS**  trans-142.8106.6153-121.2-175.884.100109.1
152P40.8Very low37.8Very low130 Ų130148.3 Ų148.384%0.84479%0.792SS**  trans-90107.5166.930.8-24000108.7
153A34.8Very low37.2Very low88 Ų88145.4 Ų145.473%0.72779%0.789SS**  trans-99.7100.616600000108.9
154A34.3Very low37.3Very low98 Ų98148.9 Ų148.981%0.8181%0.805SS**  trans-65.9130.5165.100000109.7
155V33.1Very low36.6Very low132 Ų132148 Ų14880%0.881%0.808SS**  trans-130.2108.6162-178.10000108.1V157V155-V157 HydrophobicContact CG1-CG2 4.43Å
156Q37.7Very low35.9Very low187 Ų187144.3 Ų144.387%0.87481%0.807SS**  trans-73.3136.2163.8-72.1176.3-36.300109.4
157V31Very low35.3Very low141 Ų141143.8 Ų143.886%0.85582%0.816SS**  trans-141.9124149.7179.70000109.8V155V155-V157 HydrophobicContact CG1-CG2 4.43Å
158Q31.2Very low34.6Very low187 Ų187144.4 Ų144.487%0.87482%0.82SS**  trans-91.6134.4175.4177.1179.59.600109.5
159G28.9Very low34.1Very low78 Ų78142.4 Ų142.480%0.80482%0.82SS**  trans-170.3116.8170.600000112.6
160Q32.9Very low33.5Very low182 Ų182145.4 Ų145.485%0.8583%0.83SS**  trans-90.1153.5176.5-75.1175-69.600112.2
161Q33.2Very low32.7Very low180 Ų180143.5 Ų143.584%0.84183%0.829SS**  trans116.2110.1150.1-67.1-172.118.800118.5
162Q36.6Very low32.2Very low200 Ų200141.3 Ų141.394%0.93583%0.829SS**  trans29.9115.6140.6-82.7175.88.500120.2
163G31.1Very low31.9Very low69 Ų69141.7 Ų141.771%0.71182%0.822SS**  trans15391.8155.600000113.1Q165G163-Q165 PolarHBondContact O-N 2.95Å
164Q42.3Very low31.6Very low203 Ų203145.7 Ų145.795%0.94983%0.826SS**  trans11.693.8156.6-143.8166.648.700116.8
165Q29.7Very low31.5Very low187 Ų187147.6 Ų147.687%0.87483%0.83SS**  trans-157.7143.7166.6-123.816823.900114.3G163G163-Q165 PolarHBondContact O-N 2.95Å
166T29.2Very low31.4Very low129 Ų129145.1 Ų145.179%0.79183%0.831SS**  trans-52122-178-41.40000113.2T168T166-T168 PolarHBondContact O-N 3.19Å
167T28.8Very low30.9Very low139 Ų139143.8 Ų143.885%0.85383%0.825SS**  trans-77.1109.4173.538.40000111.2
168T28.1Very low31Very low123 Ų123144.6 Ų144.676%0.75582%0.823SS**  trans-100110.5161.951.30000109.2T166T166-T168 PolarHBondContact O-N 3.19Å
169S29.8Very low31Very low117 Ų117142.2 Ų142.282%0.81881%0.814SS**  trans-80.7115.2166.235.90000109.4
170T26.3Very low31.2Very low141 Ų141145.9 Ų145.987%0.86581%0.814SS**  trans-91.3106.6170.2-0.10000108.5
171T30.1Very low31.1Very low116 Ų116141 Ų14171%0.71281%0.805SS**PPolyproline II helixtrans-99.7123.7166.6-540000107.8I173T171-I173 PolarHBondContact O-N 3.01Å
172T27.1Very low31Very low140 Ų140141.3 Ų141.386%0.85981%0.806SS**PPolyproline II helixtrans-70.9118.6173.540.60000109.8
173I33.6Very low31Very low138 Ų138136.4 Ų136.471%0.70879%0.792SS**PPolyproline II helixtrans-98.2123.4-177.4-62.3-168.6000110.2T171T171-I173 PolarHBondContact O-N 3.01Å
174Q29.4Very low31.1Very low173 Ų173141.9 Ų141.981%0.80880%0.799SS**PPolyproline II helixtrans-75.4143.9161.1-71.5-174.722.700109.8G176Q174-G176 PolarHBondContact O-N 2.97Å
175P30.8Very low30.7Very low137 Ų137142.1 Ų142.189%0.8980%0.8SS**THydrogen-bonded Turntrans-67.9117.8-17726.5-32.1000111
176G32.4Very low31Very low80 Ų80137 Ų13783%0.82580%0.797SS**THydrogen-bonded Turntrans132.75.7163.400000119.3Q174Q174-G176 PolarHBondContact O-N 2.97Å
177Q27.2Very low31.4Very low159 Ų159138.3 Ų138.374%0.74380%0.795SS**  trans-116.2127.1172.8-95.3-163.3-5.800113.4
178I32.7Very low31.8Very low158 Ų158136.8 Ų136.881%0.8179%0.786SS**  trans-88.5108.2162.3-55.5-177.9000106.9I180I178-I180 HydrophobicContact CG2-CD1 4.5Å; I178-I180 HydrophobicContact CG2-CG1 4.05Å
179I31.2Very low32.1Very low137 Ų137135.8 Ų135.870%0.70378%0.779SS**  trans-94.1107.8171.5-61.1169.4000107.6A181I179-A181 PolarHBondContact O-N 3.48Å
180I33.3Very low32.3Very low155 Ų155133.3 Ų133.380%0.79576%0.761SS**  trans-90.994.9168.2-59.6166.1000106.4I178I178-I180 HydrophobicContact CG2-CD1 4.5Å; I178-I180 HydrophobicContact CG2-CG1 4.05Å
181A31.2Very low32.9Very low81 Ų81131.1 Ų131.167%0.66975%0.746SS**PPolyproline II helixtrans-82.5119.4166.300000108.3I179 P183I179-A181 PolarHBondContact O-N 3.48Å; A181-P183 WeakPolarHBondContact O-CD 3.43Å
182Q30.1Very low33.2Very low185 Ų185129.2 Ų129.286%0.86474%0.735SS**PPolyproline II helixtrans-70.9119.3173-166.3171.644.600108.3Q184Q182-Q184 PolarHBondContact O-N 2.95Å
183P37.6Very low33.5Very low97 Ų97127.4 Ų127.463%0.6372%0.718SS**PPolyproline II helixtrans-72.4125.1-174.226.1-31.1000110.7A181A181-P183 WeakPolarHBondContact O-CD 3.43Å
184Q32.3Very low33.6Very low185 Ų185128.3 Ų128.386%0.86472%0.719SS**PPolyproline II helixtrans-79.5140.4166.1-137.6177.41.500108.7Q182 G186Q182-Q184 PolarHBondContact O-N 2.95Å; Q184-G186 PolarHBondContact O-N 3.35Å
185Q33.3Very low33.8Very low207 Ų207124 Ų12497%0.96770%0.704SS**THydrogen-bonded Turntrans-49.6124.3-163.4-64.2-179.29.800114
186G37.8Very low34.1Very low79 Ų79120 Ų12081%0.81469%0.688SS**THydrogen-bonded Turntrans121.70.516100000117.6Q184Q184-G186 PolarHBondContact O-N 3.35Å
187Q35.7Very low34.2Very low157 Ų157126.1 Ų126.173%0.73470%0.695SS**  trans-131.1115.5-178.4-148.1169.337.200112.2T189Q187-T189 PolarHBondContact O-N 3.01Å
188T38.4Very low34.7Very low108 Ų108122.4 Ų122.466%0.66370%0.699SS**  trans-71.5109.4171.151.20000109
189T33.5Very low34.6Very low101 Ų101121.2 Ų121.262%0.6269%0.69SS**PPolyproline II helixtrans-101.5126.417128.10000109.6Q187Q187-T189 PolarHBondContact O-N 3.01Å
190P35.3Very low34.8Very low66 Ų66121.9 Ų121.943%0.42969%0.691SS.*PPolyproline II helixtrans-72.1132.7176.327.3-30.8000110.2Q202 V204P190-Q202 HydrophobicContact CB-CG 3.64Å; P190-V204 HydrophobicContact CB-CG2 4.38Å
191V37.3Very low34.8Very low94 Ų94118.1 Ų118.157%0.5767%0.674SS**EExtended strand (participates in β ladder)trans-93.6117.1172.6-174.20000107.9I203V191-I203 PolarHBondContact O-N 3.17Å
192T37.5Very low34.9Very low77 Ų77119.9 Ų119.947%0.47267%0.669SS.*EExtended strand (participates in β ladder)trans-94.1116.9172.932.10000109.9Q202T192-Q202 HydrophobicContact CG2-CB 4.1Å; T192-Q202 HydrophobicContact CG2-CG 3.99Å
193M33.3Very low35Very low102 Ų102115.3 Ų115.350%0.50265%0.65SS.*EExtended strand (participates in β ladder)trans-97122.4167.3-83.5-172.8-75.700109.3V201 I203M193-V201 PolarHBondContact N-O 3.03Å; M193-V201 PolarHBondContact O-N 3.12Å; M193-I203 HydrophobicContact CE-CD1 3.43Å; M193-I203 VanDerWaalsContact CE-CD1 3.43Å; M193-I203 HydrophobicContact CE-CG1 4.48Å
194Q35.9Very low34.9Very low156 Ų156115.5 Ų115.573%0.72965%0.649SS**EExtended strand (participates in β ladder)trans-92.8109.4176.6-165173.3-8.600108.5
195V34.1Very low35Very low82 Ų82115.2 Ų115.250%0.49765%0.647SS.*  trans-105.294.9178.3-179.90000107.3Q199V195-Q199 PolarHBondContact N-O 3.34Å; V195-Q199 WeakPolarHBondContact O-CB 3.41Å
196G36.9Very low35Very low53 Ų53109.3 Ų109.355%0.54663%0.634SS.*SBendtrans66.3169.3176.600000114.9G198 Q199G196-G198 PolarHBondContact O-N 3.04Å; G196-Q199 PolarHBondContact O-N 3Å
197E33.6Very low34.8Very low210 Ų210113.9 Ų113.998%0.98163%0.634SS**THydrogen-bonded Turntrans-56.6108.8179.5-78.5178.110300110.8
198G37.8Very low34.7Very low80 Ų80111.7 Ų111.783%0.82563%0.634SS**THydrogen-bonded Turntrans107.1-7.2169.100000117.5G196G196-G198 PolarHBondContact O-N 3.04Å
199Q31.1Very low34.3Very low133 Ų133115.7 Ų115.762%0.62165%0.645SS**  trans-118.3114.6-176.5-130.31700.500112.9V195 G196V195-Q199 PolarHBondContact N-O 3.34Å; V195-Q199 WeakPolarHBondContact O-CB 3.41Å; G196-Q199 PolarHBondContact O-N 3Å
200Q34.4Very low34.2Very low152 Ų152114.5 Ų114.571%0.7165%0.653SS**EExtended strand (participates in β ladder)trans-111.3120.9176.4-53.3-173.747.900109
201V34.4Very low34.1Very low75 Ų75120.9 Ų120.946%0.45568%0.677SS.*EExtended strand (participates in β ladder)trans-107.9117.4173.1-1720000108M193 I203M193-V201 PolarHBondContact N-O 3.03Å; M193-V201 PolarHBondContact O-N 3.12Å; V201-I203 HydrophobicContact CG1-CG1 4.32Å
202Q32.1Very low33.9Very low119 Ų119122.8 Ų122.856%0.55669%0.689SS**EExtended strand (participates in β ladder)trans-101.9115.8178.4-166.7169.260.600109.4P190 T192P190-Q202 HydrophobicContact CB-CG 3.64Å; T192-Q202 HydrophobicContact CG2-CB 4.1Å; T192-Q202 HydrophobicContact CG2-CG 3.99Å
203I33.6Very low33.6Very low89 Ų89128.5 Ų128.546%0.45671%0.71SS.*EExtended strand (participates in β ladder)trans-104.7113.1179.6-47.3177.2000107.6V191 M193 V201V191-I203 PolarHBondContact O-N 3.17Å; M193-I203 HydrophobicContact CE-CD1 3.43Å; M193-I203 VanDerWaalsContact CE-CD1 3.43Å; M193-I203 HydrophobicContact CE-CG1 4.48Å; V201-I203 HydrophobicContact CG1-CG1 4.32Å
204V34.8Very low33.4Very low101 Ų101132.4 Ų132.461%0.61273%0.727SS**  trans-92.7107.8172.4176.50000108.1P190P190-V204 HydrophobicContact CB-CG2 4.38Å
205Q33.9Very low33.3Very low178 Ų178129.4 Ų129.483%0.83273%0.729SS**  trans-94.3105.7173.2-163.8174.545.400108.7
206A34.2Very low33Very low84 Ų84134.9 Ų134.969%0.69475%0.749SS**PPolyproline II helixtrans-85.3129.2173.200000110
207Q33.2Very low32.9Very low174 Ų174138.1 Ų138.181%0.81376%0.763SS**PPolyproline II helixtrans-101.2134.5179.7-150.3175.5-7.700109.6Q209Q207-Q209 PolarHBondContact O-N 3.3Å
208P34.1Very low32.7Very low111 Ų111131.1 Ų131.172%0.72175%0.748SS**PPolyproline II helixtrans-72.7126-177.126.2-31000111.4
209Q29.6Very low32.4Very low192 Ų192134.6 Ų134.690%0.89775%0.753SS**PPolyproline II helixtrans-81.5122176.3-142.1171.629.400109.1Q207Q207-Q209 PolarHBondContact O-N 3.3Å
210G32Very low32.6Very low76 Ų76131.7 Ų131.778%0.78476%0.759SS**PPolyproline II helixtrans-78.5140.5-173.600000114.4
211Q31.9Very low32.7Very low201 Ų201132.9 Ų132.994%0.93977%0.765SS**  trans-129.1133.2149.5-84.8-175.9-800109.2
212T32.5Very low32.9Very low134 Ų134132.3 Ų132.382%0.82276%0.761SS**  trans-79.5123.6-173.2440000112.7
213Q31.1Very low33.1Very low196 Ų196131.8 Ų131.892%0.91676%0.76SS**  trans-172.2157.7139.7-108.9162.429.800114.3
214Q29.9Very low33.4Very low184 Ų184133.5 Ų133.586%0.8677%0.766SS**  trans-47.4134.9-161.4-86.7157.6-22.200120.1
215A33.3Very low33.7Very low93 Ų93132.1 Ų132.177%0.76976%0.758SS**  trans32100.7135.400000119.9
216Q29.2Very low33.9Very low197 Ų197129.3 Ų129.392%0.92175%0.746SS**  trans-163.1138.4132.4-133.3168.8-31.600111.1
217S33.4Very low34Very low121 Ų121131.1 Ų131.185%0.84674%0.74SS**  trans-70.1130-17741.90000113.4
218G31.1Very low34.2Very low64 Ų64128 Ų12866%0.6673%0.726SS**  trans105.797.2153.600000115.9
219T31Very low34.3Very low153 Ų153126.3 Ų126.394%0.93971%0.71SS**  163.4123.1118.338.20000111.9
220G34.6Very low34.5Very low72 Ų72122.9 Ų122.974%0.74270%0.697SS**  trans72.370.6143.100000120.2T222G220-T222 PolarHBondContact O-N 3.34Å
221Q36.7Very low34.8Very low177 Ų177121.6 Ų121.683%0.82767%0.673SS**  trans-81.8105.5157.9-148.7171.333.400108.2
222T38.3Very low34.9Very low62 Ų62119.9 Ų119.938%0.3867%0.671SS.*PPolyproline II helixtrans-87.5123.5173.659.70000109.2G220 Q242G220-T222 PolarHBondContact O-N 3.34Å; T222-Q242 PolarHBondContact OG1-OE1 2.9Å
223M37.3Very low34.9Very low109 Ų109118.2 Ų118.254%0.53766%0.66SS.*EExtended strand (participates in β ladder)trans-85.2124169.5-104.1-159.9-44.800108.3L243 L248M223-L243 PolarHBondContact N-O 3.01Å; M223-L243 PolarHBondContact O-N 3.37Å; M223-L248 HydrophobicContact CE-CD2 3.4Å
224Q39Very low35Very low125 Ų125111.3 Ų111.358%0.58464%0.642SS**EExtended strand (participates in β ladder)trans-91.3123170.8-57.1-158.94.200109.9V241 Q242Q224-V241 WeakPolarHBondContact CA-O 3.37Å; Q224-Q242 HydrophobicContact CG-CG 3.94Å
225V42.4Very low35.2Very low72 Ų72109.3 Ų109.344%0.43663%0.632SS.*EExtended strand (participates in β ladder)trans-112.4127.9172.9-162.60000107.5Q227 V241 L243V225-Q227 PolarHBondContact O-N 3.49Å; V225-V241 PolarHBondContact N-O 3.48Å; V225-V241 PolarHBondContact O-N 3.41Å; V225-L243 HydrophobicContact CB-CD1 4.5Å; V225-L243 HydrophobicContact CG2-CD1 3.42Å; V225-L243 VanDerWaalsContact CG2-CD1 3.42Å; V225-L243 HydrophobicContact CG2-CG 4.24Å
226M37.3Very low35.4Very low119 Ų119109.7 Ų109.759%0.58662%0.621SS**EExtended strand (participates in β ladder)trans-81.7116.7172.8-86165.666.400109Q238M226-Q238 HydrophobicContact CE-CB 3.84Å; M226-Q238 HydrophobicContact CE-CG 3.93Å
227Q36.9Very low35.7Very low121 Ų121106.3 Ų106.357%0.56561%0.605SS**EExtended strand (participates in β ladder)trans-91.4123.8170.6-173.3152.786.100108.6V225 I229 I239 V241V225-Q227 PolarHBondContact O-N 3.49Å; Q227-I229 HydrophobicContact CG-CG1 4.37Å; Q227-I239 PolarHBondContact N-O 3.4Å; Q227-I239 PolarHBondContact O-N 3.48Å; Q227-V241 HydrophobicContact CB-CG2 4.4Å
228Q36.1Very low35.8Very low108 Ų108105.6 Ų105.651%0.50559%0.588SS.*EExtended strand (participates in β ladder)trans-101.2113.6179.3-168.3167.156.600108.7I236 Q238Q228-I236 HydrophobicContact CG-CG2 3.34Å; Q228-Q238 HydrophobicContact CG-CG 4.17Å
229I36Very low36.1Very low77 Ų77106.3 Ų106.340%0.39558%0.576SS.*EExtended strand (participates in β ladder)trans-102.6125.6178.5-55.6174.3000107.1Q227 Q237 I239Q227-I229 HydrophobicContact CG-CG1 4.37Å; I229-Q237 PolarHBondContact N-O 2.75Å; I229-Q237 PolarHBondContact O-N 2.92Å; I229-I239 HydrophobicContact CD1-CD1 3.91Å
230I35.4Very low36.4Very low120 Ų120103 Ų10362%0.61556%0.557SS**EExtended strand (participates in β ladder)trans-96113.8174-56.5169.5000106.3
231T37.4Very low36.8Very low48 Ų48102.2 Ų102.229%0.29454%0.538SS..  trans-72164.4177.159.70000110.5T233 G234 E235T231-T233 PolarHBondContact O-N 2.92Å; T231-T233 PolarHBondContact OG1-OG1 2.96Å; T231-G234 PolarHBondContact O-N 3.22Å; T231-E235 PolarHBondContact N-O 3.34Å; T231-E235 PolarHBondContact OG1-N 2.97Å; T231-E235 PolarHBondContact OG1-O 2.94Å; T231-E235 VanDerWaalsContact OG1-O 3.12Å
232N33.9Very low37Very low165 Ų16598.8 Ų98.888%0.88252%0.522SS*.THydrogen-bonded Turntrans-66.3-8.9-18081.5-55.2000113.7
233T31.8Very low37.2Very low99 Ų9997.2 Ų97.261%0.60751%0.511SS*.THydrogen-bonded Turntrans-91.6-2.3172.754.80000113T231 E235T231-T233 PolarHBondContact O-N 2.92Å; T231-T233 PolarHBondContact OG1-OG1 2.96Å; T233-E235 VanDerWaalsContact C-N 3.32Å
234G34.7Very low37.7Very low51 Ų5196.5 Ų96.553%0.52651%0.509SS..SBendtrans825.9-178.100000114.2T231T231-G234 PolarHBondContact O-N 3.22Å
235E33.7Very low37.8Very low142 Ų14294.2 Ų94.266%0.66451%0.512SS*.  trans-77.1137.7173.6-73.7-176122.300110.9T231 T233T231-E235 PolarHBondContact N-O 3.34Å; T231-E235 PolarHBondContact OG1-N 2.97Å; T231-E235 PolarHBondContact OG1-O 2.94Å; T231-E235 VanDerWaalsContact OG1-O 3.12Å; T233-E235 VanDerWaalsContact C-N 3.32Å
236I37.6Very low37.8Very low102 Ų10294.3 Ų94.352%0.52353%0.527SS..EExtended strand (participates in β ladder)trans-101.4110-174.8-64-178.5000108Q228Q228-I236 HydrophobicContact CG-CG2 3.34Å
237Q34.2Very low37.9Very low126 Ų12694.3 Ų94.359%0.58953%0.526SS*.EExtended strand (participates in β ladder)trans-109.6124.5178.1-160.4154.377.100110.6I229I229-Q237 PolarHBondContact N-O 2.75Å; I229-Q237 PolarHBondContact O-N 2.92Å
238Q35.8Very low38Very low106 Ų10692.5 Ų92.550%0.49552%0.519SS..EExtended strand (participates in β ladder)trans-103.7118.2-176.8-67.3173.1-300109.7M226 Q228M226-Q238 HydrophobicContact CE-CB 3.84Å; M226-Q238 HydrophobicContact CE-CG 3.93Å; Q228-Q238 HydrophobicContact CG-CG 4.17Å
239I39Very low38.1Very low78 Ų7895.1 Ų95.140%0.453%0.532SS..EExtended strand (participates in β ladder)trans-112.6121.9178.6-53.3177.7000108.9Q227 I229 V241Q227-I239 PolarHBondContact N-O 3.4Å; Q227-I239 PolarHBondContact O-N 3.48Å; I229-I239 HydrophobicContact CD1-CD1 3.91Å; I239-V241 PolarHBondContact O-N 3.49Å
240P36.7Very low38.2Very low83 Ų83100.9 Ų100.954%0.53955%0.55SS..EExtended strand (participates in β ladder)trans-74.9122.3175.628.2-30.7000110.4
241V42.4Very low38.3Very low57 Ų57101.4 Ų101.435%0.34555%0.552SS.*EExtended strand (participates in β ladder)trans-111.2121.6176.7-176.70000109.2Q224 V225 Q227 I239Q224-V241 WeakPolarHBondContact CA-O 3.37Å; V225-V241 PolarHBondContact N-O 3.48Å; V225-V241 PolarHBondContact O-N 3.41Å; Q227-V241 HydrophobicContact CB-CG2 4.4Å; I239-V241 PolarHBondContact O-N 3.49Å
242Q41.6Very low38.1Very low105 Ų105110.2 Ų110.249%0.49158%0.58SS.*EExtended strand (participates in β ladder)trans-86.7120.1173.2-57.5-151.427.500110.3T222 Q224T222-Q242 PolarHBondContact OG1-OE1 2.9Å; Q224-Q242 HydrophobicContact CG-CG 3.94Å
243L42.9Very low37.9Very low29 Ų29109.8 Ų109.815%0.15258%0.577CS.*EExtended strand (participates in β ladder)trans-95.6128.2175.2-65.4171.2000110.2M223 V225M223-L243 PolarHBondContact N-O 3.01Å; M223-L243 PolarHBondContact O-N 3.37Å; V225-L243 HydrophobicContact CB-CD1 4.5Å; V225-L243 HydrophobicContact CG2-CD1 3.42Å; V225-L243 VanDerWaalsContact CG2-CD1 3.42Å; V225-L243 HydrophobicContact CG2-CG 4.24Å
244N46.5Very low37.9Very low94 Ų94109.4 Ų109.450%0.50358%0.584SS.*PPolyproline II helixtrans-95.1150.5176.4-58.5-3.9000109.7G246 Q247N244-G246 PolarHBondContact O-N 3.44Å; N244-Q247 PolarHBondContact O-N 3.03Å
245A41.4Very low37.5Very low77 Ų77114.8 Ų114.864%0.63660%0.596SS**G310 helixtrans-52.6-18.9-167.900000116.7
246G42.8Very low37.4Very low73 Ų73113.5 Ų113.575%0.75360%0.6SS**G310 helixtrans-79.6-11175.500000116N244N244-G246 PolarHBondContact O-N 3.44Å
247Q39.9Very low37.1Very low120 Ų120115.3 Ų115.356%0.56162%0.615SS**G310 helixtrans-97.4-1.7-177.6-63.3-17325.500113.7N244 Q249N244-Q247 PolarHBondContact O-N 3.03Å; Q247-Q249 VanDerWaalsContact C-N 3.34Å; Q247-Q249 PolarHBondContact O-N 3.49Å
248L38.8Very low36.9Very low82 Ų82115.6 Ų115.643%0.42963%0.631SS.*THydrogen-bonded Turntrans-78.7-11.6-172.7-66.2171.4000114.4M223M223-L248 HydrophobicContact CE-CD2 3.4Å
249Q37.6Very low36.8Very low164 Ų164113.5 Ų113.577%0.76664%0.637SS**THydrogen-bonded Turntrans-84.5-12.1-176.8-120.676.463.300114.7Q247Q247-Q249 VanDerWaalsContact C-N 3.34Å; Q247-Q249 PolarHBondContact O-N 3.49Å
250Y38.2Very low36.7Very low198 Ų198117.1 Ų117.178%0.77666%0.663SS**  trans-118.212.7-169-71.6-75.5000116.3R252Y250-R252 PolarHBondContact O-N 2.93Å
251I37.1Very low36.4Very low130 Ų130121.1 Ų121.167%0.66768%0.675SS**  trans-83.477.3166.4-62.5160.8000107.8
252R33.4Very low35.9Very low233 Ų233125.5 Ų125.588%0.87970%0.702SS**  trans-77.3123.9158.8-81-172.4-178.1-122.42.1107.3Y250 A254Y250-R252 PolarHBondContact O-N 2.93Å; R252-A254 PolarHBondContact O-N 2.9Å
253L30.1Very low35.5Very low157 Ų157126.1 Ų126.182%0.82271%0.712SS**  trans-52.2100170.1-169.769.4000108.9Q255L253-Q255 PolarHBondContact O-N 2.81Å
254A31.5Very low35Very low91 Ų91133.4 Ų133.475%0.75275%0.746SS**  trans-70.6101.617300000107.4R252R252-A254 PolarHBondContact O-N 2.9Å
255Q26.3Very low34.3Very low164 Ų164131.7 Ų131.777%0.76675%0.75SS**  trans-61.9127.1164.1-87.4174.716.400108L253 V257L253-Q255 PolarHBondContact O-N 2.81Å; Q255-V257 PolarHBondContact O-N 3.24Å; Q255-V257 VanDerWaalsContact O-N 3.12Å
256P32.1Very low33.8Very low115 Ų115134.8 Ų134.875%0.74775%0.751SS**  trans-67114.6173.326.7-30.9000108.3
257V29.6Very low33.3Very low140 Ų140137.7 Ų137.785%0.84875%0.748SS**  trans-73.8121.5160.9-80.80000107.4Q255 G259Q255-V257 PolarHBondContact O-N 3.24Å; Q255-V257 VanDerWaalsContact O-N 3.12Å; V257-G259 PolarHBondContact O-N 2.95Å
258S32Very low33Very low132 Ų132137.9 Ų137.992%0.92375%0.749SS**SBendtrans-52.7125.6-178.6-49.90000112.1
259G33Very low32.7Very low61 Ų61137.8 Ų137.863%0.62975%0.752SS**SBendtrans130.388.5166.500000115.3V257 Q261V257-G259 PolarHBondContact O-N 2.95Å; G259-Q261 PolarHBondContact O-N 2.83Å
260T36.8Very low32.5Very low154 Ų154134.6 Ų134.695%0.94574%0.74SS**SBendtrans37.640.8148.9-21.10000120.8
261Q30.3Very low32.1Very low167 Ų167130.1 Ų130.178%0.7874%0.743SS**  trans-139.2122.1160.5-81.9-161.555.300112.2G259G259-Q261 PolarHBondContact O-N 2.83Å
262V32Very low31.8Very low150 Ų150128.9 Ų128.991%0.90974%0.742SS**  trans-85.2104.7165.2-74.30000108.1
263V33Very low31.5Very low118 Ų118125.8 Ų125.872%0.71574%0.743SS**  trans-90.8103.4171.5173.80000107.9G265V263-G265 PolarHBondContact O-N 2.97Å
264Q32.3Very low31.8Very low182 Ų182122.8 Ų122.885%0.8574%0.741SS**  trans-91.294171.4-170.7172.14.700108.8
265G31.2Very low31.6Very low58 Ų58127.6 Ų127.660%0.59875%0.748SS**  trans-83.4119.1173.300000111V263V263-G265 PolarHBondContact O-N 2.97Å
266Q31.6Very low31.7Very low141 Ų141128.5 Ų128.566%0.65975%0.752SS**  trans-91.7130.6160.8-87.3-179-24.700109.1
267I32.5Very low31.6Very low135 Ų135130.3 Ų130.369%0.69275%0.754SS**  trans-96.3111.1172.1-56.5-176.8000107Y299I267-Y299 HydrophobicContact CG2-CD1 4.18Å
268Q34.3Very low31.4Very low124 Ų124129.4 Ų129.458%0.57975%0.749SS**EExtended strand (participates in β ladder)trans-103.6120.5172.1-164.681.57900108.9L270Q268-L270 HydrophobicContact CG-CD1 4.05Å
269T32.4Very low31.2Very low80 Ų80132.2 Ų132.249%0.49175%0.747SS.*EExtended strand (participates in β ladder)trans-87.6119.4172.240.40000109.4Y299T269-Y299 HydrophobicContact CG2-CD1 4.1Å; T269-Y299 HydrophobicContact CG2-CE1 3.68Å
270L33.1Very low30.8Very low97 Ų97135 Ų13551%0.50875%0.752SS.*EExtended strand (participates in β ladder)trans-97.7126.4171.6-9178000109.8Q268Q268-L270 HydrophobicContact CG-CD1 4.05Å
271A29.8Very low30.3Very low103 Ų103136.8 Ų136.885%0.85175%0.75SS**PPolyproline II helixtrans-74.3130.3168.800000110N273A271-N273 PolarHBondContact O-N 3.05Å
272T29.8Very low30.3Very low104 Ų104135.3 Ų135.364%0.63875%0.752SS**PPolyproline II helixtrans-62.8124.9-177.737.70000113.3
273N27.7Very low30.1Very low169 Ų169137 Ų13790%0.90475%0.75SS**  trans-134.1130.7141.1-94.6-71.9000108.5A271A271-N273 PolarHBondContact O-N 3.05Å
274A36.5Very low29.9Very low94 Ų94140.9 Ų140.978%0.77776%0.76SS**  trans-72.3134.7-169.800000112.3
275Q27.2Very low29.8Very low191 Ų191135.3 Ų135.389%0.89375%0.752SS**  trans-177.6132.9133.3-98.7161.86.500113.2
276Q29.6Very low29.8Very low184 Ų184141.2 Ų141.286%0.8676%0.764SS**  trans18.3125.9163.3-74.3171.5600121.4
277I28.8Very low29.9Very low152 Ų152140.6 Ų140.678%0.77976%0.761SS**  trans-103.2109162.3-57.7176.2000108.7
278T25Very low30Very low121 Ų121140.6 Ų140.674%0.74276%0.758SS**  trans-81.2128.5155.9-65.50000107.8
279Q29.1Very low29.9Very low192 Ų192139.4 Ų139.490%0.89775%0.751SS**  trans-89.3119.8-179.1-162.9177.8111.100108.8
280T24.1Very low30Very low118 Ų118137.5 Ų137.572%0.72474%0.741SS**  trans-126.6137.3167.4-42.30000109.3
281E25.8Very low29.9Very low192 Ų192137.5 Ų137.590%0.89774%0.738SS**  trans-50148.5-164.7-75.2160.593.900117.4
282V29.5Very low30.3Very low136 Ų136138.4 Ų138.482%0.82472%0.724SS**  trans-109117.4173.5-172.70000109.9
283Q28.1Very low30.5Very low185 Ų185138.7 Ų138.786%0.86473%0.725SS**  trans-92.6140.5165.7-170166.684.200109.7
284Q29.5Very low30.8Very low200 Ų200136.6 Ų136.694%0.93571%0.714SS**SBendtrans-9.7116.9-177.5-70.2-179.739.100119.3
285G30.6Very low31Very low66 Ų66135.7 Ų135.768%0.6871%0.714SS**SBendtrans147.695.5167.700000111.5Q287G285-Q287 PolarHBondContact O-N 3.12Å
286Q31.3Very low31.3Very low182 Ų182135.1 Ų135.185%0.8571%0.711SS**  trans-61113.6-165.6-77.5173.9-55.200114.6
287Q33.8Very low31.5Very low128 Ų128130.9 Ų130.960%0.59869%0.692SS**  trans-122120.8146.8-69.5-168.764.600107.7G285 F289G285-Q287 PolarHBondContact O-N 3.12Å; Q287-F289 HydrophobicContact CB-CE2 4.21Å
288Q33.3Very low31.6Very low135 Ų135126.8 Ų126.863%0.63167%0.671SS**  trans-113.2110.3-175.8-152.3173.232.200109.7
289F33.7Very low32.1Very low99 Ų99124.9 Ų124.943%0.43465%0.65SS.*EExtended strand (participates in β ladder)trans-89.5122175.6-63.2-96.4000108.9Q287 Q300Q287-F289 HydrophobicContact CB-CE2 4.21Å; F289-Q300 HydrophobicContact CD1-CG 3.98Å
290S33.1Very low32.2Very low40 Ų40118.7 Ų118.728%0.2862%0.622SS.*EExtended strand (participates in β ladder)trans-106.1116.8169.2-65.40000109.1I301S290-I301 PolarHBondContact O-N 3.26Å
291Q32.4Very low32.7Very low96 Ų96115.9 Ų115.945%0.44960%0.602SS.*EExtended strand (participates in β ladder)trans-104.7131.7175.8-79.5-177.775.300109.8
292F36.8Very low33.1Very low123 Ų123110.5 Ų110.554%0.53958%0.576SS.*EExtended strand (participates in β ladder)trans-126.8145.8172.9-48.8-82.5000108.6Y299 I301F292-Y299 PolarHBondContact O-N 3.32Å; F292-I301 HydrophobicContact CD2-CD1 4.48Å; F292-I301 HydrophobicContact CE2-CD1 3.99Å
293T34.5Very low33.3Very low110 Ų110108.8 Ų108.868%0.67556%0.559SS**EExtended strand (participates in β ladder)trans-122.4122.5-176.4-38.80000109
294D34Very low33.5Very low125 Ų125105 Ų10567%0.66855%0.549SS*.  trans-121.173.1173.3-16833.6000109.9Q296D294-Q296 PolarHBondContact O-N 3.46Å
295G40.5Very low33.8Very low75 Ų75101.1 Ų101.177%0.77354%0.539SS*.SBendtrans68.8-28.3167.200000118.7
296Q35Very low34Very low178 Ų178105.5 Ų105.583%0.83254%0.544SS*.SBendtrans-152.5-4.3177.9-90.3-166.20.700116D294D294-Q296 PolarHBondContact O-N 3.46Å
297Q33.6Very low34.2Very low96 Ų96102.5 Ų102.545%0.44954%0.54SS..  trans-135.5140.3178.5-65.6-169.329.500113.2Y299Q297-Y299 HydrophobicContact CB-CE2 3.9Å
298L30.1Very low34.2Very low66 Ų66101.8 Ų101.835%0.34656%0.556SS.*EExtended strand (participates in β ladder)trans-97.7113.9178.7-160.676.4000108.8
299Y35.2Very low34.8Very low80 Ų8099.1 Ų99.131%0.31456%0.564SS.*EExtended strand (participates in β ladder)trans-98125.9176.9-63.3-87.7000109.3I267 T269 F292 Q297I267-Y299 HydrophobicContact CG2-CD1 4.18Å; T269-Y299 HydrophobicContact CG2-CD1 4.1Å; T269-Y299 HydrophobicContact CG2-CE1 3.68Å; F292-Y299 PolarHBondContact O-N 3.32Å; Q297-Y299 HydrophobicContact CB-CE2 3.9Å
300Q31.1Very low34.8Very low62 Ų62102.5 Ų102.529%0.2958%0.582SS.*EExtended strand (participates in β ladder)trans-112.8114.4174.4-167.8173.899.800109.3F289F289-Q300 HydrophobicContact CD1-CG 3.98Å
301I34.8Very low35.2Very low60 Ų60107.4 Ų107.431%0.30861%0.605SS.*EExtended strand (participates in β ladder)trans-92.6105.4172.3-56.1177.7000107.1S290 F292 Q303S290-I301 PolarHBondContact O-N 3.26Å; F292-I301 HydrophobicContact CD2-CD1 4.48Å; F292-I301 HydrophobicContact CE2-CD1 3.99Å; I301-Q303 HydrophobicContact CG2-CG 4.06Å; I301-Q303 PolarHBondContact O-N 2.9Å
302Q33.8Very low35.4Very low78 Ų78108.8 Ų108.836%0.36461%0.614SS.*EExtended strand (participates in β ladder)trans-86.1101.2171.9-172.580.284.200108.2V304Q302-V304 HydrophobicContact CG-CG2 4.06Å; Q302-V304 PolarHBondContact O-N 3.45Å
303Q33.5Very low35.4Very low100 Ų100108.7 Ų108.747%0.46762%0.623SS.*  trans-84.1112.6169.7-63.2-17127.900108.5I301I301-Q303 HydrophobicContact CG2-CG 4.06Å; I301-Q303 PolarHBondContact O-N 2.9Å
304V34.1Very low35.1Very low106 Ų106111.5 Ų111.564%0.64263%0.629SS**  trans-97.6111.1169.8-175.80000107.5Q302 M306Q302-V304 HydrophobicContact CG-CG2 4.06Å; Q302-V304 PolarHBondContact O-N 3.45Å; V304-M306 HydrophobicContact CG1-CG 4.34Å
305T35.7Very low34.9Very low118 Ų118110.3 Ų110.372%0.72463%0.628SS**  trans-85.6113.8170.6-54.70000108.2
306M34.7Very low34.2Very low159 Ų159114.8 Ų114.878%0.78363%0.631SS**PPolyproline II helixtrans-90.1131.6175.3-59.6-142.4-59.600110.6V304V304-M306 HydrophobicContact CG1-CG 4.34Å
307P34.9Very low33.7Very low118 Ų118115.1 Ų115.177%0.76663%0.63SS**PPolyproline II helixtrans-74.1141.1164.728.5-28.5000110G309P307-G309 PolarHBondContact O-N 3.49Å
308A33.3Very low33.3Very low113 Ų113117.8 Ų117.893%0.93465%0.646SS**THydrogen-bonded Turntrans-64124.6-178.400000111.4
309G45.2Very low33Very low79 Ų79123.1 Ų123.181%0.81467%0.669SS**THydrogen-bonded Turntrans123.518162.200000119.3P307P307-G309 PolarHBondContact O-N 3.49Å
310Q34.3Very low32.7Very low171 Ų171124.2 Ų124.280%0.79969%0.688SS**  trans-114120.5168.3-76.6-163-0.100112.6
311D41.2Very low32.5Very low142 Ų142127 Ų12776%0.75971%0.71SS**  trans-80.2126.3162.4-169-78.7000108.2T313D311-T313 PolarHBondContact OD1-N 3.5Å
312I36.5Very low32.6Very low125 Ų125131.8 Ų131.864%0.64174%0.736SS**  trans-135.397.6160.4-30.9174.8000108.7Q314I312-Q314 HydrophobicContact CG2-CG 4.5Å; I312-Q314 PolarHBondContact O-N 3.01Å
313T37.2Very low32.4Very low121 Ų121136.5 Ų136.574%0.74276%0.758SS**  trans-47.194146.743.70000111.3D311D311-T313 PolarHBondContact OD1-N 3.5Å
314Q28.6Very low32.4Very low169 Ų169138 Ų13879%0.7977%0.774SS**  trans-152.5137.1150.7-75.9-15479.700111.3I312I312-Q314 HydrophobicContact CG2-CG 4.5Å; I312-Q314 PolarHBondContact O-N 3.01Å
315P30.1Very low32.4Very low100 Ų100138.8 Ų138.865%0.64978%0.784SS**  trans-77.8130.1-176.332-32.4000110.8F317P315-F317 HydrophobicContact CG-CE2 4.32Å; P315-F317 PolarHBondContact O-N 3.43Å
316M25Very low32.2Very low170 Ų170140.9 Ų140.984%0.83779%0.791SS**  trans-72.5109170.9-160.6-168.6-6100108.5I318M316-I318 PolarHBondContact O-N 3.2Å
317F24.5Very low32Very low184 Ų184137.1 Ų137.181%0.80779%0.792SS**  trans-69.2123.3174.3-88.4-94.3000110.4P315P315-F317 HydrophobicContact CG-CE2 4.32Å; P315-F317 PolarHBondContact O-N 3.43Å
318I26.1Very low31.8Very low153 Ų153140.7 Ų140.779%0.78580%0.799SS**  trans-84.3111.6160.6-57.1179.3000106.3M316M316-I318 PolarHBondContact O-N 3.2Å
319Q23.4Very low31.9Very low178 Ų178139.6 Ų139.683%0.83279%0.79SS**  trans-104.899.5168.4-162.2154.559.300109.3
320S28Very low31.1Very low103 Ų103142.4 Ų142.472%0.7279%0.792SS**  trans-76.5123.9169.2-52.60000109.1
321T27.1Very low31.2Very low120 Ų120142.8 Ų142.874%0.73679%0.793SS**  trans-110.7100.8161.655.70000109.3
322N37.2Very low30.6Very low160 Ų160143.1 Ų143.186%0.85680%0.8SS**  trans-66.1123.6155-87.6-19.7000107.6
323Q30.1Very low30.4Very low178 Ų178143.5 Ų143.583%0.83281%0.809SS**  trans-131108.9158.2-95.6-172.847.600110.8
324T34.3Very low30.2Very low132 Ų132141.1 Ų141.181%0.8181%0.808SS**  trans-52.6130.1162.6-27.90000109.7
325S33Very low30.5Very low121 Ų121144.5 Ų144.585%0.84683%0.831SS**  trans-10293.2172.7-57.80000109.7
326D32.1Very low30.5Very low163 Ų163146.8 Ų146.887%0.87284%0.841SS**  trans-125135.7154.4-109.7-39.3000106.2
327G31Very low30.8Very low79 Ų79145.5 Ų145.581%0.81484%0.841SS**  trans138109.616500000115.9
328Q29.1Very low31.1Very low194 Ų194143.4 Ų143.491%0.90784%0.843SS**  trans-58.5158.6173-73.6160.1-28.500114.8
329A35.2Very low31.4Very low90 Ų90142.8 Ų142.874%0.74485%0.846SS**  trans-15.7148.715700000118.1
330T30Very low31.9Very low138 Ų138140.6 Ų140.685%0.84785%0.847SS**  -166.1134119.2-61.10000110.5
331Q34.7Very low32.2Very low178 Ų178143.1 Ų143.183%0.83286%0.855SS**  trans-64.5146.4167.6-72.9170.7-8.500112.1
332V29.1Very low32.6Very low149 Ų149144.8 Ų144.890%0.90386%0.864SS**  trans-154.1139135.2-135.60000111.7
333T32.3Very low32.2Very low134 Ų134143.6 Ų143.682%0.82286%0.864SS**  trans-88.2154.5179.2-70.20000112.6
334G33.5Very low32.4Very low70 Ų70140.8 Ų140.872%0.72287%0.867SS**  trans83.8143.2151.300000115
335D34Very low32.2Very low241 Ų241141.5 Ų141.5100%1.28987%0.872SS**  cis-147.8011.3-145.8-73000107.3

Retrieved 335 of 335 residues in 203.2 ms (Link to these results)