A0A2K5LC30_CERAT Loading...

Dehydrogenase/reductase 7

AlphaFold DB , UniProt , Accession A0A2K5LC30, Species CERAT (Cercocebus atys, Sooty mangabey), Gene DHRS7, Length 339 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
1M68Low91.7Very high178 Ų178117.5 Ų117.588%0.87757%0.567SS**  0120.10-171.1163.864.700107.2W3 L6M1-W3 PolarHBondContact O-N 3.24Å; M1-L6 HydrophobicContact CE-CB 4.47Å; M1-L6 HydrophobicContact CE-CD1 3.93Å; M1-L6 HydrophobicContact CE-CD2 4.13Å; M1-L6 HydrophobicContact CE-CG 4.4Å
2N90.4Very high92.1Very high98 Ų98115.5 Ų115.552%0.52456%0.561SS.*  trans-65.9128.5-179.7-175.7-1.3000108.8E4 L5 L6N2-E4 PolarHBondContact O-N 2.99Å; N2-E4 PolarHBondContact OD1-N 3.21Å; N2-L5 HydrophobicContact CB-CB 4.2Å; N2-L5 WeakPolarHBondContact O-CB 3.42Å; N2-L5 PolarHBondContact O-N 3.34Å; N2-L6 PolarHBondContact O-N 3.44Å; N2-L6 VanDerWaalsContact O-N 3.12Å
3W90.4Very high92.3Very high201 Ų201111.9 Ų111.976%0.76155%0.553SS**Hα-helixtrans-55.9-34.6179-80.9102.4000112.1M1 L6 L7M1-W3 PolarHBondContact O-N 3.24Å; W3-L6 HydrophobicContact CE3-CD2 4.13Å; W3-L6 HydrophobicContact CZ3-CD2 4.1Å; W3-L6 PolarHBondContact O-N 3.24Å; W3-L7 WeakPolarHBondContact O-CG 3.35Å; W3-L7 PolarHBondContact O-N 2.98Å
4E93.5Very high92.5Very high125 Ų125107.6 Ų107.658%0.58454%0.544SS*.Hα-helixtrans-63.9-43.5174.6-64.2-171.3160.300112.3N2 L6 L7 W8N2-E4 PolarHBondContact O-N 2.99Å; N2-E4 PolarHBondContact OD1-N 3.21Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.33Å; E4-L7 PolarHBondContact O-N 3.49Å; E4-W8 PolarHBondContact O-N 3.44Å
5L93.9Very high92.6Very high99 Ų99107.5 Ų107.552%0.51855%0.545SS..Hα-helixtrans-62.3-39.9177.3-176.269.1000111N2 W8 L9N2-L5 HydrophobicContact CB-CB 4.2Å; N2-L5 WeakPolarHBondContact O-CB 3.42Å; N2-L5 PolarHBondContact O-N 3.34Å; L5-W8 PolarHBondContact O-N 3.02Å; L5-L9 HydrophobicContact CG-CD1 4.18Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 VanDerWaalsContact O-CG 3.25Å; L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 3.12Å
6L94.4Very high92.8Very high48 Ų48106.9 Ų106.925%0.25154%0.543SS..Hα-helixtrans-63.5-43.4175.1-179.364.2000111.7M1 N2 W3 E4 L9 L10M1-L6 HydrophobicContact CE-CB 4.47Å; M1-L6 HydrophobicContact CE-CD1 3.93Å; M1-L6 HydrophobicContact CE-CD2 4.13Å; M1-L6 HydrophobicContact CE-CG 4.4Å; N2-L6 PolarHBondContact O-N 3.44Å; N2-L6 VanDerWaalsContact O-N 3.12Å; W3-L6 HydrophobicContact CE3-CD2 4.13Å; W3-L6 HydrophobicContact CZ3-CD2 4.1Å; W3-L6 PolarHBondContact O-N 3.24Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.33Å; L6-L9 PolarHBondContact O-N 2.91Å; L6-L10 HydrophobicContact CD1-CD1 4.41Å; L6-L10 HydrophobicContact CD1-CG 4.43Å; L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.3Å; L6-L10 PolarHBondContact O-N 3.41Å
7L95.5Very high92.7Very high111 Ų111107.2 Ų107.258%0.58155%0.546SS*.Hα-helixtrans-63.5-43177.4-71.9170.9000112.1W3 E4 L10 A11W3-L7 WeakPolarHBondContact O-CG 3.35Å; W3-L7 PolarHBondContact O-N 2.98Å; E4-L7 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 3.39Å; L7-A11 WeakPolarHBondContact O-CB 3.25Å; L7-A11 PolarHBondContact O-N 2.92Å
8W96.4Very high92.6Very high196 Ų196107.8 Ų107.874%0.74255%0.55SS*.Hα-helixtrans-63.1-40.5174.8-76.4115.6000112.4E4 L5 A11 L12E4-W8 PolarHBondContact O-N 3.44Å; L5-W8 PolarHBondContact O-N 3.02Å; W8-A11 PolarHBondContact O-N 2.94Å; W8-L12 WeakPolarHBondContact O-CB 3.36Å; W8-L12 PolarHBondContact O-N 2.9Å
9L95.1Very high92.6Very high83 Ų83105.8 Ų105.844%0.43554%0.543SS..Hα-helixtrans-63.5-44.7174.8-75.3167.5000111.7L5 L6 L12 C13L5-L9 HydrophobicContact CG-CD1 4.18Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 VanDerWaalsContact O-CG 3.25Å; L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 3.12Å; L6-L9 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 3.34Å; L9-C13 WeakPolarHBondContact O-CB 3.43Å; L9-C13 PolarHBondContact O-N 3.36Å; L9-C13 PolarHBondContact O-SG 2.9Å
10L95.4Very high92.5Very high101 Ų101104.3 Ų104.353%0.52954%0.539SS..Hα-helixtrans-63.1-42.2176.7-71.9169.7000112L6 L7 C13 A14L6-L10 HydrophobicContact CD1-CD1 4.41Å; L6-L10 HydrophobicContact CD1-CG 4.43Å; L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.3Å; L6-L10 PolarHBondContact O-N 3.41Å; L7-L10 PolarHBondContact O-N 3.39Å; L10-C13 PolarHBondContact O-N 3.33Å; L10-A14 WeakPolarHBondContact O-CB 3.36Å; L10-A14 PolarHBondContact O-N 3.29Å
11A95.4Very high92.3Very high53 Ų53103.6 Ų103.644%0.43853%0.533SS..Hα-helixtrans-63.3-42.8175.800000111.8L7 W8 A14 L15L7-A11 WeakPolarHBondContact O-CB 3.25Å; L7-A11 PolarHBondContact O-N 2.92Å; W8-A11 PolarHBondContact O-N 2.94Å; A11-A14 PolarHBondContact O-N 2.88Å; A11-L15 WeakPolarHBondContact O-CB 3.4Å; A11-L15 PolarHBondContact O-N 2.84Å
12L96.2Very high93.3Very high93 Ų93100 Ų10049%0.48752%0.516SS..Hα-helixtrans-63.1-44.4175.3-177.565.5000111.3W8 L9 A14 L15 L16W8-L12 WeakPolarHBondContact O-CB 3.36Å; W8-L12 PolarHBondContact O-N 2.9Å; L9-L12 PolarHBondContact O-N 3.34Å; L12-A14 VanDerWaalsContact C-N 3.35Å; L12-A14 PolarHBondContact O-N 3.11Å; L12-L15 PolarHBondContact O-N 2.7Å; L12-L16 HydrophobicContact CG-CD1 4.14Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.23Å
13C95.3Very high93.2Very high69 Ų6999.2 Ų99.247%0.46651%0.512SS..Hα-helixtrans-60-43.6174.9-72.90000111.8L9 L10 L16 L17L9-C13 WeakPolarHBondContact O-CB 3.43Å; L9-C13 PolarHBondContact O-N 3.36Å; L9-C13 PolarHBondContact O-SG 2.9Å; L10-C13 PolarHBondContact O-N 3.33Å; C13-L16 PolarHBondContact O-N 3.37Å; C13-L17 WeakPolarHBondContact O-CB 3.47Å; C13-L17 VanDerWaalsContact O-CG 3.27Å; C13-L17 WeakPolarHBondContact O-CG 3.46Å; C13-L17 PolarHBondContact O-N 2.68Å
14A94.6Very high93.2Very high51 Ų5194.6 Ų94.642%0.42149%0.494SS..Hα-helixtrans-62.5-43.7176.500000112L10 A11 L12 L17 L18L10-A14 WeakPolarHBondContact O-CB 3.36Å; L10-A14 PolarHBondContact O-N 3.29Å; A11-A14 PolarHBondContact O-N 2.88Å; L12-A14 VanDerWaalsContact C-N 3.35Å; L12-A14 PolarHBondContact O-N 3.11Å; A14-L17 PolarHBondContact O-N 2.77Å; A14-L18 WeakPolarHBondContact O-CG 3.45Å; A14-L18 PolarHBondContact O-N 3.15Å
15L94.9Very high93Very high106 Ų10690.3 Ų90.356%0.55547%0.474SS*.Hα-helixtrans-63-44.6176.1-175.866.7000111.7A11 L12 L17 L18 V19A11-L15 WeakPolarHBondContact O-CB 3.4Å; A11-L15 PolarHBondContact O-N 2.84Å; L12-L15 PolarHBondContact O-N 2.7Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.81Å; L15-L18 WeakPolarHBondContact O-CB 3.27Å; L15-L18 PolarHBondContact O-N 3.19Å; L15-V19 WeakPolarHBondContact O-CG2 3.4Å; L15-V19 PolarHBondContact O-N 2.83Å
16L94.8Very high92.8Very high98 Ų9890.5 Ų90.551%0.51348%0.475SS..Hα-helixtrans-61-42.5176.1-74.1170.9000111.5L12 C13 L18 V19 V20L12-L16 HydrophobicContact CG-CD1 4.14Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.23Å; C13-L16 PolarHBondContact O-N 3.37Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 3.07Å; L16-V19 PolarHBondContact O-N 3.48Å; L16-V20 WeakPolarHBondContact O-CB 3.44Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.07Å; L16-V20 PolarHBondContact O-N 3.39Å
17L92.1Very high92.6Very high113 Ų11398.1 Ų98.159%0.59250%0.5SS*.Hα-helixtrans-60.3-44174.7-73.5169.6000111.4C13 A14 L15 V19 V20 Q21C13-L17 WeakPolarHBondContact O-CB 3.47Å; C13-L17 VanDerWaalsContact O-CG 3.27Å; C13-L17 WeakPolarHBondContact O-CG 3.46Å; C13-L17 PolarHBondContact O-N 2.68Å; A14-L17 PolarHBondContact O-N 2.77Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.81Å; L17-V19 PolarHBondContact O-N 2.94Å; L17-V20 PolarHBondContact O-N 2.97Å; L17-Q21 VanDerWaalsContact O-CG 3.27Å; L17-Q21 WeakPolarHBondContact O-CG 3.35Å; L17-Q21 PolarHBondContact O-N 3.12Å
18L90.9Very high92.5Very high118 Ų11893 Ų9362%0.61847%0.474SS*.Hα-helixtrans-61.3-44176.3-72.4171.7000112.1A14 L15 L16 Q21 L22A14-L18 WeakPolarHBondContact O-CG 3.45Å; A14-L18 PolarHBondContact O-N 3.15Å; L15-L18 WeakPolarHBondContact O-CB 3.27Å; L15-L18 PolarHBondContact O-N 3.19Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 3.07Å; L18-Q21 PolarHBondContact O-N 3.22Å; L18-L22 WeakPolarHBondContact O-CB 3.5Å; L18-L22 PolarHBondContact O-N 2.71Å
19V92.5Very high92.4Very high70 Ų7085 Ų8542%0.42445%0.446SS..Hα-helixtrans-62.9-44.3176.7172.70000110.9L15 L16 L17 Q21 L22 L23L15-V19 WeakPolarHBondContact O-CG2 3.4Å; L15-V19 PolarHBondContact O-N 2.83Å; L16-V19 PolarHBondContact O-N 3.48Å; L17-V19 PolarHBondContact O-N 2.94Å; V19-Q21 PolarHBondContact O-N 3.07Å; V19-L22 PolarHBondContact O-N 2.88Å; V19-L23 HydrophobicContact CG1-CD1 4.16Å; V19-L23 HydrophobicContact CG1-CG 4.48Å; V19-L23 WeakPolarHBondContact O-CG 3.17Å; V19-L23 PolarHBondContact O-N 3.15Å
20V89.9Confident92.5Very high75 Ų7581 Ų8146%0.45543%0.425SS..Hα-helixtrans-60.9-45.4176.5169.90000110.8L16 L17 L22 L23 R24L16-V20 WeakPolarHBondContact O-CB 3.44Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.07Å; L16-V20 PolarHBondContact O-N 3.39Å; L17-V20 PolarHBondContact O-N 2.97Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 2.91Å; V20-L23 PolarHBondContact O-N 3.11Å; V20-R24 WeakPolarHBondContact O-CG 3.43Å; V20-R24 PolarHBondContact O-N 3Å
21Q87.9Confident92.5Very high90 Ų9076.6 Ų76.642%0.42140%0.402SS..Hα-helixtrans-64.8-38.6178-67.6-61.8-6.600112.2L17 L18 V19 R24 F25L17-Q21 VanDerWaalsContact O-CG 3.27Å; L17-Q21 WeakPolarHBondContact O-CG 3.35Å; L17-Q21 PolarHBondContact O-N 3.12Å; L18-Q21 PolarHBondContact O-N 3.22Å; V19-Q21 PolarHBondContact O-N 3.07Å; Q21-R24 PolarHBondContact O-N 3.07Å; Q21-F25 WeakPolarHBondContact O-CB 3.46Å; Q21-F25 PolarHBondContact O-N 3.17Å
22L89.4Confident92.4Very high101 Ų10178.2 Ų78.253%0.52940%0.403SS..Hα-helixtrans-61.9-46.3173.9-178.963.3000111.3L18 V19 V20 R24 F25 L26L18-L22 WeakPolarHBondContact O-CB 3.5Å; L18-L22 PolarHBondContact O-N 2.71Å; V19-L22 PolarHBondContact O-N 2.88Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 2.91Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 2.92Å; L22-F25 PolarHBondContact O-N 3.39Å; L22-L26 HydrophobicContact CG-CD1 4.39Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 2.84Å
23L89.5Confident92.3Very high82 Ų8278 Ų7843%0.42941%0.405SS..Hα-helixtrans-63.5-38.1177-70.5174.5000112.4V19 V20 L26 R27V19-L23 HydrophobicContact CG1-CD1 4.16Å; V19-L23 HydrophobicContact CG1-CG 4.48Å; V19-L23 WeakPolarHBondContact O-CG 3.17Å; V19-L23 PolarHBondContact O-N 3.15Å; V20-L23 PolarHBondContact O-N 3.11Å; L23-L26 PolarHBondContact O-N 2.92Å; L23-R27 PolarHBondContact O-N 3.04Å
24R88.6Confident92.4Very high105 Ų10574.7 Ų74.740%0.39638%0.383SS..Hα-helixtrans-62.1-46.1172.5-73.6-177761663.5110.8V20 Q21 L22 L26 R27 A28V20-R24 WeakPolarHBondContact O-CG 3.43Å; V20-R24 PolarHBondContact O-N 3Å; Q21-R24 PolarHBondContact O-N 3.07Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 2.92Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 3.22Å; R24-R27 CarbonylContact O-C 3.5Å; R24-R27 PolarHBondContact O-N 3.39Å; R24-R27 VanDerWaalsContact O-N 3.14Å; R24-A28 PolarHBondContact O-N 2.91Å
25F89.8Confident92.5Very high35 Ų3573.6 Ų73.615%0.15437%0.37CS..Hα-helixtrans-63.8-37.1178.8-177.8-101.4000113Q21 L22 R27 A28 L32 Q289 L292 L293 Y296Q21-F25 WeakPolarHBondContact O-CB 3.46Å; Q21-F25 PolarHBondContact O-N 3.17Å; L22-F25 PolarHBondContact O-N 3.39Å; F25-R27 PolarHBondContact O-N 3.12Å; F25-A28 VanDerWaalsContact O-CB 3.25Å; F25-A28 WeakPolarHBondContact O-CB 3.43Å; F25-A28 PolarHBondContact O-N 3.07Å; F25-A28 VanDerWaalsContact O-N 3.13Å; F25-L32 HydrophobicContact CD2-CD2 4.37Å; F25-Q289 PolarHBondContact O-NE2 2.92Å; F25-L292 HydrophobicContact CE2-CD2 4.18Å; F25-L292 HydrophobicContact CE2-CG 4.38Å; F25-L293 HydrophobicContact CE1-CB 4.27Å; F25-L293 HydrophobicContact CE1-CD1 4.05Å; F25-L293 HydrophobicContact CZ-CB 4.3Å; F25-L293 HydrophobicContact CZ-CD1 4.3Å; F25-Y296 AromaticContact CE2-CD2 3.84Å; F25-Y296 HydrophobicContact CE2-CD2 3.84Å; F25-Y296 AromaticContact CE2-CE2 3.69Å; F25-Y296 HydrophobicContact CE2-CE2 3.69Å; F25-Y296 AromaticContact CZ-CD2 3.9Å; F25-Y296 HydrophobicContact CZ-CD2 3.9Å; F25-Y296 HydrophobicContact CZ-CE2 4.24Å
26L89.6Confident92.5Very high102 Ų10275.3 Ų75.353%0.53437%0.369SS..Hα-helixtrans-65.2-22.5176-71.6173.4000113.2L22 L23 R24L22-L26 HydrophobicContact CG-CD1 4.39Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 2.84Å; L23-L26 PolarHBondContact O-N 2.92Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 3.22Å
27R90.1Very high92.6Very high208 Ų20871 Ų7179%0.78535%0.348SS*.THydrogen-bonded Turntrans-105.33.7174.9-62.4-176.3-177.9133.90.1113.2L23 R24 F25L23-R27 PolarHBondContact O-N 3.04Å; R24-R27 CarbonylContact O-C 3.5Å; R24-R27 PolarHBondContact O-N 3.39Å; R24-R27 VanDerWaalsContact O-N 3.14Å; F25-R27 PolarHBondContact O-N 3.12Å
28A93.4Very high92.8Very high4 Ų468.9 Ų68.93%0.03334%0.335CS..  trans-67.9139.4-177.200000111R24 F25 L35 L292R24-A28 PolarHBondContact O-N 2.91Å; F25-A28 VanDerWaalsContact O-CB 3.25Å; F25-A28 WeakPolarHBondContact O-CB 3.43Å; F25-A28 PolarHBondContact O-N 3.07Å; F25-A28 VanDerWaalsContact O-N 3.13Å; A28-L35 HydrophobicContact CB-CD1 3.57Å; A28-L292 HydrophobicContact CB-CD2 3.83Å
29D95.2Very high93Very high28 Ų2870.5 Ų70.515%0.1533%0.333CS..SBendtrans-11810.1172.366.2-10000112.6M264 R268 S287 Q288D29-M264 HydrophobicContact CB-CE 3.84Å; D29-M264 VanDerWaalsContact O-CE 3.24Å; D29-M264 WeakPolarHBondContact O-CE 3.46Å; D29-R268 IonicContact OD1-CZ 3.51Å; D29-R268 IonicContact OD1-NE 3.62Å; D29-R268 IonicContact OD1-NH2 2.74Å; D29-R268 PolarHBondContact OD1-NH2 2.75Å; D29-R268 VanDerWaalsContact OD1-NH2 3.09Å; D29-R268 IonicContact OD2-CZ 3.64Å; D29-R268 IonicContact OD2-NE 2.81Å; D29-R268 PolarHBondContact OD2-NE 3.31Å; D29-R268 IonicContact OD2-NH2 3.29Å; D29-R268 PolarHBondContact OD2-NH2 3.27Å; D29-S287 CarbonylContact C-O 3.56Å; D29-S287 VanDerWaalsContact CA-O 3.31Å; D29-S287 WeakPolarHBondContact CA-O 3.3Å; D29-S287 CarbonylContact O-C 3.56Å; D29-S287 PolarHBondContact O-N 2.94Å; D29-Q288 HydrophobicContact CB-CG 4.02Å
30G96.6Very high93.1Very high0 Ų072.3 Ų72.30%034%0.337CS..SBendtrans-155.1169.6170.400000111.6L35 W285 L292G30-L35 WeakPolarHBondContact O-CD1 3.49Å; G30-W285 CarbonylContact C-O 3.55Å; G30-W285 WeakPolarHBondContact CA-O 2.98Å; G30-L292 VanDerWaalsContact O-CD2 3.31Å; G30-L292 WeakPolarHBondContact O-CD2 3.45Å
31D95.9Very high93.4Very high8 Ų870.2 Ų70.24%0.04333%0.33CS..  trans-61.6158.8172.573.783.4000111.8T33 L34 L35 V284 W285 Y296D31-T33 PolarHBondContact O-N 3.42Å; D31-T33 WeakPolarHBondContact OD1-CA 3.3Å; D31-T33 WeakPolarHBondContact OD1-CB 3.27Å; D31-T33 PolarHBondContact OD1-N 2.86Å; D31-T33 PolarHBondContact OD1-OG1 2.88Å; D31-L34 PolarHBondContact O-N 2.98Å; D31-L34 PolarHBondContact OD1-N 3.38Å; D31-L34 WeakPolarHBondContact OD2-CB 3.47Å; D31-L35 WeakPolarHBondContact O-CG 3.4Å; D31-L35 PolarHBondContact O-N 3.33Å; D31-V284 WeakPolarHBondContact OD2-CA 3.43Å; D31-W285 HydrophobicContact CB-CB 4.21Å; D31-W285 PolarHBondContact N-O 3.33Å; D31-W285 PolarHBondContact OD2-N 3.29Å; D31-Y296 WeakPolarHBondContact CB-OH 3.31Å
32L92.9Very high93.9Very high87 Ų8770.5 Ų70.546%0.45533%0.327SS..Hα-helixtrans-61.7-31.6-173.9-62.4178.1000113.4F25 W36F25-L32 HydrophobicContact CD2-CD2 4.37Å; L32-W36 VanDerWaalsContact O-CB 3.3Å; L32-W36 WeakPolarHBondContact O-CB 3.27Å; L32-W36 PolarHBondContact O-N 3.47Å
33T94.7Very high94.3Very high88 Ų8872.8 Ų72.854%0.5433%0.329SS..Hα-helixtrans-68.4-45.8178.9-49.50000110D31 W36 A37 L281D31-T33 PolarHBondContact O-N 3.42Å; D31-T33 WeakPolarHBondContact OD1-CA 3.3Å; D31-T33 WeakPolarHBondContact OD1-CB 3.27Å; D31-T33 PolarHBondContact OD1-N 2.86Å; D31-T33 PolarHBondContact OD1-OG1 2.88Å; T33-W36 WeakPolarHBondContact O-CB 3.3Å; T33-W36 PolarHBondContact O-N 3.15Å; T33-A37 PolarHBondContact O-N 2.9Å; T33-L281 HydrophobicContact CG2-CD2 4.16Å
34L97.2Very high94.6Very high0 Ų069 Ų690%031%0.309CS..Hα-helixtrans-63-45.5176.1172.560.6000111.9D31 W36 A37 E38 L272 I275 L281 V284 I286D31-L34 PolarHBondContact O-N 2.98Å; D31-L34 PolarHBondContact OD1-N 3.38Å; D31-L34 WeakPolarHBondContact OD2-CB 3.47Å; L34-W36 VanDerWaalsContact C-N 3.26Å; L34-W36 PolarHBondContact O-N 3.21Å; L34-A37 CarbonylContact O-C 3.58Å; L34-A37 PolarHBondContact O-N 3.46Å; L34-E38 PolarHBondContact O-N 3.3Å; L34-L272 HydrophobicContact CD1-CB 4.48Å; L34-L272 HydrophobicContact CD1-CD2 4.29Å; L34-L272 WeakPolarHBondContact CD1-O 3.28Å; L34-L272 HydrophobicContact CD2-CB 4.01Å; L34-L272 HydrophobicContact CD2-CD1 4.37Å; L34-L272 HydrophobicContact CD2-CD2 4.16Å; L34-L272 HydrophobicContact CD2-CG 4.41Å; L34-L272 HydrophobicContact CG-CD2 4.13Å; L34-I275 HydrophobicContact CD1-CB 4.38Å; L34-I275 HydrophobicContact CD1-CG2 4.02Å; L34-L281 HydrophobicContact CB-CD1 4.36Å; L34-L281 HydrophobicContact CD1-CD1 4.14Å; L34-V284 HydrophobicContact CB-CB 4.25Å; L34-V284 HydrophobicContact CB-CG1 3.99Å; L34-V284 HydrophobicContact CD1-CG1 4.26Å; L34-V284 HydrophobicContact CD2-CB 4.05Å; L34-V284 HydrophobicContact CD2-CG1 4.49Å; L34-V284 HydrophobicContact CG-CG1 4.47Å; L34-I286 HydrophobicContact CD2-CD1 4.3Å; L34-I286 HydrophobicContact CD2-CG1 3.57Å
35L95.6Very high95Very high28 Ų2867 Ų6715%0.14731%0.305CS..Hα-helixtrans-66.9-30178.8-66.9-176.7000112.7A28 G30 D31 W39A28-L35 HydrophobicContact CB-CD1 3.57Å; G30-L35 WeakPolarHBondContact O-CD1 3.49Å; D31-L35 WeakPolarHBondContact O-CG 3.4Å; D31-L35 PolarHBondContact O-N 3.33Å; L35-W39 WeakPolarHBondContact O-CB 3.5Å; L35-W39 PolarHBondContact O-N 3.47Å
36W94.9Very high95.3Very high142 Ų14273.9 Ų73.954%0.53833%0.33SS..Hα-helixtrans-66.5-47.6170.3-176.5-88.6000111.4L32 T33 L34 E38 W39 Q40L32-W36 VanDerWaalsContact O-CB 3.3Å; L32-W36 WeakPolarHBondContact O-CB 3.27Å; L32-W36 PolarHBondContact O-N 3.47Å; T33-W36 WeakPolarHBondContact O-CB 3.3Å; T33-W36 PolarHBondContact O-N 3.15Å; L34-W36 VanDerWaalsContact C-N 3.26Å; L34-W36 PolarHBondContact O-N 3.21Å; W36-E38 VanDerWaalsContact C-N 3.28Å; W36-E38 PolarHBondContact O-N 2.89Å; W36-W39 HydrophobicContact CE3-CE3 4.09Å; W36-W39 HydrophobicContact CE3-CZ3 4.22Å; W36-W39 HydrophobicContact CH2-CE3 4.38Å; W36-W39 AromaticContact CH2-CZ3 3.85Å; W36-W39 HydrophobicContact CH2-CZ3 3.85Å; W36-W39 AromaticContact CZ3-CE3 3.97Å; W36-W39 HydrophobicContact CZ3-CE3 3.97Å; W36-W39 AromaticContact CZ3-CZ3 3.62Å; W36-W39 HydrophobicContact CZ3-CZ3 3.62Å; W36-W39 PolarHBondContact O-N 2.88Å; W36-W39 VanDerWaalsContact O-N 3.09Å; W36-Q40 PolarHBondContact O-N 3.49Å
37A97.3Very high95.7Very high8 Ų872 Ų727%0.06632%0.318CS..Hα-helixtrans-62.8-33.7176.300000112.5T33 L34 W39 G41 I275 N279 L281T33-A37 PolarHBondContact O-N 2.9Å; L34-A37 CarbonylContact O-C 3.58Å; L34-A37 PolarHBondContact O-N 3.46Å; A37-W39 VanDerWaalsContact C-N 3.33Å; A37-G41 WeakPolarHBondContact O-CA 3.39Å; A37-G41 PolarHBondContact O-N 3.32Å; A37-I275 HydrophobicContact CB-CG2 4.09Å; A37-N279 HydrophobicContact CB-CB 4.12Å; A37-L281 HydrophobicContact CB-CD1 3.89Å; A37-L281 HydrophobicContact CB-CD2 4.47Å
38E96.4Very high96Very high68 Ų6862.1 Ų62.132%0.31828%0.281SS..Hα-helixtrans-62.9-41.9171.8173.2164.4-128.300111.9L34 W36 R268 I275L34-E38 PolarHBondContact O-N 3.3Å; W36-E38 VanDerWaalsContact C-N 3.28Å; W36-E38 PolarHBondContact O-N 2.89Å; E38-R268 IonicContact OE1-CZ 2.67Å; E38-R268 IonicContact OE1-NH1 3.34Å; E38-R268 PolarHBondContact OE1-NH1 3.46Å; E38-R268 IonicContact OE1-NH2 2.93Å; E38-R268 PolarHBondContact OE1-NH2 3.37Å; E38-R268 IonicContact OE2-CZ 3.9Å; E38-R268 IonicContact OE2-NH1 3.71Å; E38-R268 IonicContact OE2-NH2 3.46Å; E38-R268 PolarHBondContact OE2-NH2 3.41Å; E38-I275 HydrophobicContact CB-CD1 3.85Å; E38-I275 HydrophobicContact CB-CG2 4.21Å; E38-I275 HydrophobicContact CG-CD1 3.74Å
39W94.7Very high96.2Very high151 Ų15164.3 Ų64.357%0.57229%0.294SS*.Hα-helixtrans-76.9-41.6-174.7-179.741.8000113.2L35 W36 A37L35-W39 WeakPolarHBondContact O-CB 3.5Å; L35-W39 PolarHBondContact O-N 3.47Å; W36-W39 HydrophobicContact CE3-CE3 4.09Å; W36-W39 HydrophobicContact CE3-CZ3 4.22Å; W36-W39 HydrophobicContact CH2-CE3 4.38Å; W36-W39 AromaticContact CH2-CZ3 3.85Å; W36-W39 HydrophobicContact CH2-CZ3 3.85Å; W36-W39 AromaticContact CZ3-CE3 3.97Å; W36-W39 HydrophobicContact CZ3-CE3 3.97Å; W36-W39 AromaticContact CZ3-CZ3 3.62Å; W36-W39 HydrophobicContact CZ3-CZ3 3.62Å; W36-W39 PolarHBondContact O-N 2.88Å; W36-W39 VanDerWaalsContact O-N 3.09Å; A37-W39 VanDerWaalsContact C-N 3.33Å
40Q95.8Very high96.3Very high109 Ų10968.4 Ų68.451%0.50932%0.316SS..Hα-helixtrans-131.1-0.9-171.8-64.8-167.3-13.500114.8W36W36-Q40 PolarHBondContact O-N 3.49Å
41G96.3Very high96.4Very high30 Ų3070.7 Ų70.731%0.30933%0.327SS..SBendtrans-77.3-175.5-177.700000113.7A37 N279A37-G41 WeakPolarHBondContact O-CA 3.39Å; A37-G41 PolarHBondContact O-N 3.32Å; G41-N279 VanDerWaalsContact CA-OD1 3.28Å; G41-N279 WeakPolarHBondContact CA-OD1 3.15Å
42R97.6Very high96.5Very high96 Ų9670.4 Ų70.436%0.36233%0.326SS..  trans-67.9145.2175.2-60.6179-75.1163.9-11.1110.7E47 A278 N279 D280R42-E47 HydrophobicContact CB-CG 3.57Å; R42-E47 HydrophobicContact CG-CG 4.4Å; R42-E47 IonicContact CZ-OE2 3.67Å; R42-E47 IonicContact NE-OE2 3.92Å; R42-E47 IonicContact NH1-OE2 3.22Å; R42-E47 PolarHBondContact NH1-OE2 3.28Å; R42-A278 PolarHBondContact NE-O 3.18Å; R42-A278 VanDerWaalsContact NE-O 3.15Å; R42-A278 PolarHBondContact NH1-O 3.36Å; R42-A278 PolarHBondContact NH2-O 3.17Å; R42-N279 PolarHBondContact N-OD1 3.49Å; R42-N279 VanDerWaalsContact NH2-C 3.3Å; R42-N279 PolarHBondContact NH2-O 2.67Å; R42-N279 PolarHBondContact O-ND2 2.97Å; R42-D280 IonicContact CZ-OD2 3.71Å; R42-D280 IonicContact NH1-OD2 3.55Å; R42-D280 PolarHBondContact NH1-OD2 3.31Å; R42-D280 IonicContact NH2-OD2 2.84Å; R42-D280 PolarHBondContact NH2-OD2 3.08Å
43R97.4Very high96.8Very high149 Ų14966.3 Ų66.356%0.56230%0.304SS*.  trans-87.6129.1-175.6-69.6-166.5178.4-166.60.6111.2E45 W46 E47R43-E45 PolarHBondContact O-N 3.33Å; R43-W46 HydrophobicContact CB-CD2 4.11Å; R43-W46 HydrophobicContact CB-CE3 3.91Å; R43-W46 HydrophobicContact CB-CZ3 4.37Å; R43-W46 HydrophobicContact CG-CE3 4.24Å; R43-W46 HydrophobicContact CG-CZ3 4.19Å; R43-W46 PolarHBondContact O-N 2.93Å; R43-E47 PolarHBondContact O-N 2.97Å; R43-E47 VanDerWaalsContact O-N 3.12Å
44P97.4Very high97Very high4 Ų462.1 Ų62.13%0.02628%0.278CS..Hα-helixtrans-56-33.1177.1-25.534.2000113.9W46 L48 L73 L274 I275 A278P44-W46 PolarHBondContact O-N 3.46Å; P44-W46 VanDerWaalsContact O-N 3.15Å; P44-L48 HydrophobicContact CB-CD1 4.03Å; P44-L48 WeakPolarHBondContact O-CB 3.13Å; P44-L48 PolarHBondContact O-N 2.94Å; P44-L73 HydrophobicContact CB-CD1 4.16Å; P44-L274 HydrophobicContact CB-CB 3.98Å; P44-L274 HydrophobicContact CG-CB 3.95Å; P44-I275 HydrophobicContact CG-CG1 4.09Å; P44-A278 HydrophobicContact CB-CB 4.24Å; P44-A278 HydrophobicContact CG-CB 4.01Å
45E95.8Very high97.1Very high63 Ų6362.1 Ų62.129%0.29428%0.278SS..Hα-helixtrans-63.9-15.1179.7-58.879.1-176.400113.9R43 T49 L73 R271R43-E45 PolarHBondContact O-N 3.33Å; E45-T49 PolarHBondContact O-OG1 3.06Å; E45-T49 VanDerWaalsContact O-OG1 3.07Å; E45-L73 HydrophobicContact CB-CD2 4.43Å; E45-L73 HydrophobicContact CG-CD2 3.94Å; E45-R271 IonicContact OE1-CZ 2.83Å; E45-R271 VanDerWaalsContact OE1-CZ 3.29Å; E45-R271 IonicContact OE1-NH1 3.91Å; E45-R271 PolarHBondContact OE1-NH1 3.2Å; E45-R271 IonicContact OE1-NH2 3.89Å; E45-R271 PolarHBondContact OE1-NH2 3.39Å; E45-R271 IonicContact OE2-NH2 2.81Å
46W96.1Very high97.3Very high179 Ų17960.8 Ų60.868%0.67827%0.272SS*.Hα-helixtrans-113.4-39.3178.1-57.4-27.3000112.1R43 P44R43-W46 HydrophobicContact CB-CD2 4.11Å; R43-W46 HydrophobicContact CB-CE3 3.91Å; R43-W46 HydrophobicContact CB-CZ3 4.37Å; R43-W46 HydrophobicContact CG-CE3 4.24Å; R43-W46 HydrophobicContact CG-CZ3 4.19Å; R43-W46 PolarHBondContact O-N 2.93Å; P44-W46 PolarHBondContact O-N 3.46Å; P44-W46 VanDerWaalsContact O-N 3.15Å
47E97.8Very high97.4Very high63 Ų6354.9 Ų54.929%0.29426%0.255SS..Hα-helixtrans-78.8-21.8-174.3-63.3-66.1133.200114.1R42 R43 A278R42-E47 HydrophobicContact CB-CG 3.57Å; R42-E47 HydrophobicContact CG-CG 4.4Å; R42-E47 IonicContact CZ-OE2 3.67Å; R42-E47 IonicContact NE-OE2 3.92Å; R42-E47 IonicContact NH1-OE2 3.22Å; R42-E47 PolarHBondContact NH1-OE2 3.28Å; R43-E47 PolarHBondContact O-N 2.97Å; R43-E47 VanDerWaalsContact O-N 3.12Å; E47-A278 HydrophobicContact CB-CB 3.97Å; E47-A278 HydrophobicContact CG-CB 4.18Å
48L97.8Very high97.4Very high0 Ų054.5 Ų54.50%025%0.252CS..SBendtrans-102.4-12.8-175.4-57.8-178000113.3P44 M51 L70 L73 V75 I134 L274 M277P44-L48 HydrophobicContact CB-CD1 4.03Å; P44-L48 WeakPolarHBondContact O-CB 3.13Å; P44-L48 PolarHBondContact O-N 2.94Å; L48-M51 VanDerWaalsContact O-CB 3.23Å; L48-M51 WeakPolarHBondContact O-CB 3.45Å; L48-M51 VanDerWaalsContact O-CG 3.27Å; L48-M51 WeakPolarHBondContact O-CG 3.48Å; L48-M51 PolarHBondContact O-N 3.01Å; L48-L70 HydrophobicContact CD1-CD2 4.1Å; L48-L73 HydrophobicContact CB-CD1 4.27Å; L48-L73 HydrophobicContact CD1-CD1 3.89Å; L48-V75 HydrophobicContact CB-CG1 4.33Å; L48-V75 WeakPolarHBondContact O-CG1 3.43Å; L48-I134 HydrophobicContact CD2-CD1 3.8Å; L48-L274 HydrophobicContact CD1-CD2 3.74Å; L48-M277 HydrophobicContact CD1-CB 4.5Å; L48-M277 HydrophobicContact CD1-CE 4.33Å; L48-M277 HydrophobicContact CD2-CB 4.31Å
49T97.3Very high97.4Very high50 Ų5051.7 Ų51.731%0.30724%0.239SC..THydrogen-bonded Turntrans-57.8142.7179.4-56.50000111.2E45 M51 L73E45-T49 PolarHBondContact O-OG1 3.06Å; E45-T49 VanDerWaalsContact O-OG1 3.07Å; T49-M51 PolarHBondContact O-N 3.39Å; T49-L73 WeakPolarHBondContact CA-O 3.26Å; T49-L73 WeakPolarHBondContact CB-O 3.33Å; T49-L73 PolarHBondContact OG1-O 3.48Å
50D97Very high97.4Very high114 Ų11446 Ų4661%0.6122%0.222SC*.THydrogen-bonded Turntrans62.83.6-176.8-55.1-42000115.8G74 R131D50-G74 PolarHBondContact N-O 3.3Å; D50-R131 PolarHBondContact O-NH2 3.35Å
51M98.4Very high97.4Very high47 Ų4741.5 Ų41.523%0.23221%0.205CC..  trans-76147.3175.5-63-72.7169.400111.2L48 T49 V53 V75 S76 D133L48-M51 VanDerWaalsContact O-CB 3.23Å; L48-M51 WeakPolarHBondContact O-CB 3.45Å; L48-M51 VanDerWaalsContact O-CG 3.27Å; L48-M51 WeakPolarHBondContact O-CG 3.48Å; L48-M51 PolarHBondContact O-N 3.01Å; T49-M51 PolarHBondContact O-N 3.39Å; M51-V53 HydrophobicContact CB-CG2 4.21Å; M51-V75 WeakPolarHBondContact O-CA 3.44Å; M51-V75 WeakPolarHBondContact O-CB 3.45Å; M51-S76 PolarHBondContact O-N 3.17Å; M51-D133 WeakPolarHBondContact CA-OD2 3.05Å; M51-D133 HydrophobicContact CB-CB 4.04Å; M51-D133 HydrophobicContact CG-CB 4.42Å; M51-D133 HydrophobicContact SD-CB 3.6Å; M51-D133 VanDerWaalsContact SD-CB 3.6Å
52V98.9Very high97.5Very high3 Ų341.2 Ų41.22%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-91.8111.2168.1-173.80000109.1S76 F129 R131 D133 I134V52-S76 WeakPolarHBondContact CA-O 3.38Å; V52-F129 HydrophobicContact CB-CB 4.47Å; V52-F129 HydrophobicContact CG1-CB 3.84Å; V52-F129 HydrophobicContact CG1-CD2 3.75Å; V52-F129 HydrophobicContact CG1-CG 3.97Å; V52-F129 HydrophobicContact CG2-CB 3.79Å; V52-F129 HydrophobicContact CG2-CG 4.36Å; V52-R131 HydrophobicContact CB-CG 4.26Å; V52-R131 WeakPolarHBondContact CB-O 3.39Å; V52-R131 VanDerWaalsContact CG1-O 3.24Å; V52-R131 WeakPolarHBondContact CG1-O 3.33Å; V52-R131 HydrophobicContact CG2-CG 3.59Å; V52-D133 PolarHBondContact N-OD2 3.11Å; V52-D133 PolarHBondContact O-N 2.9Å; V52-I134 PolarHBondContact O-N 3.39Å
53V98.9Very high97.5Very high0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-112.3114.9-175.5-172.30000110.3M51 V55 L70 V75 S76 L77 V78 I134 V136M51-V53 HydrophobicContact CB-CG2 4.21Å; V53-V55 HydrophobicContact CG1-CG2 4Å; V53-L70 HydrophobicContact CB-CD1 4.26Å; V53-L70 HydrophobicContact CG1-CD1 3.69Å; V53-V75 HydrophobicContact CG2-CB 4.24Å; V53-V75 HydrophobicContact CG2-CG2 4.28Å; V53-S76 PolarHBondContact N-O 3.09Å; V53-L77 HydrophobicContact CB-CD2 4.21Å; V53-V78 PolarHBondContact O-N 3.39Å; V53-I134 WeakPolarHBondContact CA-O 3.35Å; V53-I134 HydrophobicContact CB-CB 4.44Å; V53-I134 HydrophobicContact CG1-CB 4.09Å; V53-I134 HydrophobicContact CG1-CG2 4.23Å; V53-I134 HydrophobicContact CG2-CB 4.17Å; V53-I134 HydrophobicContact CG2-CD1 4.11Å; V53-I134 HydrophobicContact CG2-CG1 4.32Å; V53-V136 HydrophobicContact CG1-CG2 3.89Å
54W98.9Very high97.5Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-97.8114.1175.6-173.66000111.3V78 S80 L108 L110 A121 V125 I132 I134 L135 V136 L169 V173W54-V78 HydrophobicContact CB-CB 4Å; W54-V78 HydrophobicContact CB-CG2 4.36Å; W54-V78 VanDerWaalsContact CD1-CG1 3.42Å; W54-V78 HydrophobicContact CD2-CG1 4.37Å; W54-V78 HydrophobicContact CG-CB 3.82Å; W54-V78 HydrophobicContact CG-CG1 3.96Å; W54-V78 HydrophobicContact CG-CG2 4.45Å; W54-S80 PolarHBondContact NE1-OG 2.82Å; W54-L108 HydrophobicContact CH2-CD2 4.27Å; W54-L108 HydrophobicContact CZ2-CD2 3.61Å; W54-L110 HydrophobicContact CZ2-CD2 4.16Å; W54-A121 HydrophobicContact CH2-CB 4.04Å; W54-A121 HydrophobicContact CZ2-CB 4.22Å; W54-V125 HydrophobicContact CD2-CG2 4.04Å; W54-V125 HydrophobicContact CE3-CG2 3.96Å; W54-V125 HydrophobicContact CH2-CG2 4.08Å; W54-V125 HydrophobicContact CZ2-CG2 4.18Å; W54-V125 HydrophobicContact CZ3-CG2 3.99Å; W54-I132 HydrophobicContact CE3-CD1 3.91Å; W54-I132 HydrophobicContact CZ3-CD1 4.02Å; W54-I134 PolarHBondContact N-O 3.13Å; W54-L135 HydrophobicContact CB-CD1 4.29Å; W54-L135 HydrophobicContact CD2-CD1 4.1Å; W54-L135 HydrophobicContact CE3-CD1 4.08Å; W54-L135 HydrophobicContact CG-CD1 4.2Å; W54-V136 PolarHBondContact O-N 3.18Å; W54-L169 HydrophobicContact CH2-CD1 3.62Å; W54-L169 HydrophobicContact CZ2-CD1 4.12Å; W54-L169 HydrophobicContact CZ3-CD1 4.06Å; W54-V173 HydrophobicContact CE3-CG2 4.11Å; W54-V173 HydrophobicContact CZ3-CG2 3.77Å
55V98.9Very high97.6Very high0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans-107.7117-178.8-1730000111V53 A58 L66 L70 V78 S80 V136V53-V55 HydrophobicContact CG1-CG2 4Å; V55-A58 HydrophobicContact CB-CB 4.32Å; V55-A58 HydrophobicContact CG1-CB 4.14Å; V55-L66 HydrophobicContact CG1-CD2 4.16Å; V55-L66 HydrophobicContact CG2-CD2 4.19Å; V55-L70 HydrophobicContact CG2-CD1 4.08Å; V55-V78 PolarHBondContact N-O 2.87Å; V55-S80 PolarHBondContact O-N 3.48Å; V55-V136 HydrophobicContact CG1-CB 4.47Å; V55-V136 HydrophobicContact CG2-CB 4.26Å; V55-V136 HydrophobicContact CG2-CG2 4.31Å
56T98.7Very high97.7Very high1 Ų129.8 Ų29.81%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-87.9150.1170.370.40000111.6A58 S80 L110 L112 V136 N138 G139 L169T56-A58 VanDerWaalsContact C-N 3.25Å; T56-A58 PolarHBondContact O-N 3.39Å; T56-S80 CarbonylContact C-O 3.58Å; T56-S80 WeakPolarHBondContact CA-O 3.37Å; T56-L110 HydrophobicContact CG2-CD2 4.43Å; T56-L112 HydrophobicContact CG2-CD2 4.45Å; T56-V136 PolarHBondContact N-O 3.38Å; T56-V136 PolarHBondContact OG1-O 3.09Å; T56-N138 CarbonylContact O-C 3.34Å; T56-N138 WeakPolarHBondContact O-CB 3.37Å; T56-N138 PolarHBondContact O-ND2 2.79Å; T56-N138 PolarHBondContact OG1-N 2.91Å; T56-G139 PolarHBondContact O-N 2.86Å; T56-G139 PolarHBondContact OG1-N 2.8Å; T56-G139 VanDerWaalsContact OG1-N 3.12Å; T56-L169 HydrophobicContact CG2-CD2 3.48Å; T56-L169 VanDerWaalsContact CG2-CD2 3.48Å
57G97.4Very high97.8Very high18 Ų1821.2 Ų21.219%0.18612%0.121CC..THydrogen-bonded Turntrans66.428-173.100000113.2S59 S80 N138G57-S59 PolarHBondContact O-N 3.25Å; G57-S80 PolarHBondContact N-O 2.9Å; G57-N138 PolarHBondContact O-ND2 2.95Å
58A98.1Very high97.9Very high0 Ų019.4 Ų19.40%011%0.111CC..THydrogen-bonded Turntrans-70.6-10.7-175.400000114.4V55 T56 S60 E64 L79 S80 L87V55-A58 HydrophobicContact CB-CB 4.32Å; V55-A58 HydrophobicContact CG1-CB 4.14Å; T56-A58 VanDerWaalsContact C-N 3.25Å; T56-A58 PolarHBondContact O-N 3.39Å; A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 2.8Å; A58-E64 VanDerWaalsContact O-CA 3.26Å; A58-E64 WeakPolarHBondContact O-CA 3.45Å; A58-E64 WeakPolarHBondContact O-CB 3.48Å; A58-E64 PolarHBondContact O-N 2.74Å; A58-L79 HydrophobicContact CB-CB 4.07Å; A58-L79 HydrophobicContact CB-CD2 4.04Å; A58-S80 PolarHBondContact N-O 3.48Å; A58-S80 VanDerWaalsContact N-O 3.16Å; A58-L87 HydrophobicContact CB-CD2 4.06Å
59S96.8Very high97.9Very high9 Ų920.4 Ų20.46%0.06312%0.116CC..THydrogen-bonded Turntrans-75.4-7.9-174.566.20000116.1G57 A81 R83G57-S59 PolarHBondContact O-N 3.25Å; S59-A81 WeakPolarHBondContact OG-CB 3.42Å; S59-R83 PolarHBondContact O-NH2 2.97Å; S59-R83 VanDerWaalsContact O-NH2 3.16Å; S59-R83 PolarHBondContact OG-NH2 3.48Å
60S94.9Very high98Very high30 Ų3018 Ų1821%0.2110%0.101CC..SBendtrans-165.4158.5179.260.10000113.4A58 E64A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 2.8Å; S60-E64 VanDerWaalsContact CA-OE2 3.25Å; S60-E64 WeakPolarHBondContact CA-OE2 3.34Å
61G94.9Very high98Very high15 Ų1512.6 Ų12.616%0.1557%0.073CC..Hα-helixtrans67.2-133.1165.400000112.8G63 E64 E65G61-G63 PolarHBondContact O-N 2.93Å; G61-E64 PolarHBondContact N-OE2 3.02Å; G61-E64 PolarHBondContact O-N 2.9Å; G61-E65 PolarHBondContact O-N 3.21Å
62I97.4Very high98Very high24 Ų2415.6 Ų15.612%0.1238%0.084CC..Hα-helixtrans-60-43.4-177.5-66173.9000111.6E64 E65 L66 P234 V237 T266 V270 M273I62-E64 PolarHBondContact O-N 2.8Å; I62-E65 PolarHBondContact O-N 2.98Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 2.8Å; I62-P234 HydrophobicContact CD1-CB 4.38Å; I62-P234 HydrophobicContact CD1-CG 4.22Å; I62-V237 HydrophobicContact CD1-CB 4.49Å; I62-V237 HydrophobicContact CD1-CG1 4.39Å; I62-V237 HydrophobicContact CG1-CG1 4.28Å; I62-T266 HydrophobicContact CG1-CG2 4.09Å; I62-V270 HydrophobicContact CG2-CG2 4.05Å; I62-M273 HydrophobicContact CG2-CE 3.81Å; I62-M273 HydrophobicContact CG2-SD 3.45Å; I62-M273 WeakPolarHBondContact CG2-SD 3.42Å
63G98Very high97.9Very high0 Ų016.3 Ų16.30%09%0.088CC..Hα-helixtrans-66.1-36.8-179.400000113.5G61 A67 N138G61-G63 PolarHBondContact O-N 2.93Å; G63-A67 PolarHBondContact O-N 3.32Å; G63-N138 WeakPolarHBondContact CA-ND2 2.96Å
64E98.3Very high97.7Very high29 Ų2917.6 Ų17.614%0.13610%0.101CC..Hα-helixtrans-66.5-50.1175.1166.3175.9-153.300111.4A58 S60 G61 I62 L66 A67 Y68 R89 V90A58-E64 VanDerWaalsContact O-CA 3.26Å; A58-E64 WeakPolarHBondContact O-CA 3.45Å; A58-E64 WeakPolarHBondContact O-CB 3.48Å; A58-E64 PolarHBondContact O-N 2.74Å; S60-E64 VanDerWaalsContact CA-OE2 3.25Å; S60-E64 WeakPolarHBondContact CA-OE2 3.34Å; G61-E64 PolarHBondContact N-OE2 3.02Å; G61-E64 PolarHBondContact O-N 2.9Å; I62-E64 PolarHBondContact O-N 2.8Å; E64-L66 VanDerWaalsContact C-N 3.27Å; E64-L66 PolarHBondContact O-N 2.88Å; E64-A67 WeakPolarHBondContact O-CB 3.27Å; E64-A67 PolarHBondContact O-N 3.39Å; E64-A67 VanDerWaalsContact O-N 3.15Å; E64-Y68 HydrophobicContact CG-CD2 4.18Å; E64-Y68 HydrophobicContact CG-CE1 4.26Å; E64-Y68 HydrophobicContact CG-CE2 3.43Å; E64-Y68 VanDerWaalsContact CG-CE2 3.43Å; E64-Y68 VanDerWaalsContact CG-CZ 3.47Å; E64-Y68 PolarHBondContact O-N 3.04Å; E64-Y68 PolarHBondContact OE1-OH 2.92Å; E64-R89 IonicContact OE1-CZ 3.55Å; E64-R89 IonicContact OE1-NH1 3.9Å; E64-R89 PolarHBondContact OE1-NH1 2.92Å; E64-R89 IonicContact OE1-NH2 2.77Å; E64-R89 PolarHBondContact OE1-NH2 3.03Å; E64-R89 IonicContact OE2-NH2 3.79Å; E64-V90 HydrophobicContact CB-CG2 4.27Å; E64-V90 HydrophobicContact CG-CG2 3.84Å
65E98.5Very high97.7Very high43 Ų4317.7 Ų17.720%0.20110%0.102CC..Hα-helixtrans-64.8-33.8177.9178.165.2-165.300111.6G61 I62 Y68 Q69 T266 S267 V270G61-E65 PolarHBondContact O-N 3.21Å; I62-E65 PolarHBondContact O-N 2.98Å; E65-Y68 PolarHBondContact O-N 2.82Å; E65-Q69 PolarHBondContact O-N 3.11Å; E65-Q69 PolarHBondContact OE1-NE2 3.5Å; E65-T266 HydrophobicContact CB-CG2 3.54Å; E65-T266 HydrophobicContact CG-CG2 3.89Å; E65-S267 WeakPolarHBondContact OE1-CA 3.43Å; E65-S267 WeakPolarHBondContact OE1-CB 3.39Å; E65-S267 PolarHBondContact OE1-OG 2.9Å; E65-V270 HydrophobicContact CB-CG2 3.9Å; E65-V270 HydrophobicContact CG-CB 3.92Å; E65-V270 HydrophobicContact CG-CG1 4.29Å; E65-V270 HydrophobicContact CG-CG2 3.7Å
66L98.8Very high97.7Very high0 Ų018.8 Ų18.80%011%0.11CC..Hα-helixtrans-61.9-44.4172.6-179.363.6000111.4V55 I62 E64 Y68 Q69 L70 V136 V270 M273 L274 M277V55-L66 HydrophobicContact CG1-CD2 4.16Å; V55-L66 HydrophobicContact CG2-CD2 4.19Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 2.8Å; E64-L66 VanDerWaalsContact C-N 3.27Å; E64-L66 PolarHBondContact O-N 2.88Å; L66-Y68 VanDerWaalsContact C-N 3.3Å; L66-Y68 PolarHBondContact O-N 3.32Å; L66-Q69 PolarHBondContact O-N 3.17Å; L66-L70 HydrophobicContact CD1-CD1 3.91Å; L66-L70 HydrophobicContact CD1-CG 3.97Å; L66-L70 HydrophobicContact CD2-CD1 4.38Å; L66-L70 HydrophobicContact CG-CD1 3.73Å; L66-L70 HydrophobicContact CG-CG 4.24Å; L66-L70 VanDerWaalsContact O-CB 3.3Å; L66-L70 WeakPolarHBondContact O-CB 3.24Å; L66-L70 VanDerWaalsContact O-CG 3.27Å; L66-L70 WeakPolarHBondContact O-CG 3.36Å; L66-L70 PolarHBondContact O-N 3.32Å; L66-V136 HydrophobicContact CD2-CB 4.37Å; L66-V136 HydrophobicContact CD2-CG1 3.74Å; L66-V136 HydrophobicContact CD2-CG2 4.25Å; L66-V270 HydrophobicContact CB-CG1 4.09Å; L66-V270 HydrophobicContact CB-CG2 4.23Å; L66-V270 HydrophobicContact CD1-CG1 3.86Å; L66-M273 HydrophobicContact CD2-CE 4.13Å; L66-L274 HydrophobicContact CD1-CD2 3.71Å; L66-L274 HydrophobicContact CD1-CG 4.17Å; L66-M277 HydrophobicContact CD1-SD 4.45Å
67A98.7Very high97.7Very high0 Ų018.8 Ų18.80%011%0.109CC..Hα-helixtrans-59-42.4173.800000111.6G63 E64 Q69 L70 S71 L79 V90G63-A67 PolarHBondContact O-N 3.32Å; E64-A67 WeakPolarHBondContact O-CB 3.27Å; E64-A67 PolarHBondContact O-N 3.39Å; E64-A67 VanDerWaalsContact O-N 3.15Å; A67-Q69 PolarHBondContact O-N 3.34Å; A67-L70 PolarHBondContact O-N 2.63Å; A67-S71 WeakPolarHBondContact O-CB 3.23Å; A67-S71 PolarHBondContact O-N 2.82Å; A67-L79 HydrophobicContact CB-CD2 3.64Å; A67-V90 HydrophobicContact CB-CG1 3.84Å
68Y98.7Very high97.7Very high24 Ų2417.9 Ų17.99%0.09410%0.101CC..Hα-helixtrans-65.1-36.7178.3-62.4-22.3000114.2E64 E65 L66 S71 R89 V90 R93E64-Y68 HydrophobicContact CG-CD2 4.18Å; E64-Y68 HydrophobicContact CG-CE1 4.26Å; E64-Y68 HydrophobicContact CG-CE2 3.43Å; E64-Y68 VanDerWaalsContact CG-CE2 3.43Å; E64-Y68 VanDerWaalsContact CG-CZ 3.47Å; E64-Y68 PolarHBondContact O-N 3.04Å; E64-Y68 PolarHBondContact OE1-OH 2.92Å; E65-Y68 PolarHBondContact O-N 2.82Å; L66-Y68 VanDerWaalsContact C-N 3.3Å; L66-Y68 PolarHBondContact O-N 3.32Å; Y68-S71 PolarHBondContact O-OG 2.81Å; Y68-S71 VanDerWaalsContact O-OG 3.1Å; Y68-R89 PolarHBondContact OH-NH1 3.46Å; Y68-V90 HydrophobicContact CD1-CG1 4.41Å; Y68-V90 HydrophobicContact CE1-CB 4.32Å; Y68-V90 HydrophobicContact CE1-CG1 3.77Å; Y68-R93 HydrophobicContact CD1-CG 4.47Å; Y68-R93 HydrophobicContact CE1-CB 3.72Å; Y68-R93 HydrophobicContact CE1-CG 3.93Å; Y68-R93 WeakPolarHBondContact OH-CD 3.39Å
69Q98.7Very high97.8Very high21 Ų2117.9 Ų17.910%0.09810%0.101CC..Hα-helixtrans-79.5-39177.6-66.3-169.934.500111.6E65 L66 A67 S71 K72 S267 V270 L274E65-Q69 PolarHBondContact O-N 3.11Å; E65-Q69 PolarHBondContact OE1-NE2 3.5Å; L66-Q69 PolarHBondContact O-N 3.17Å; A67-Q69 PolarHBondContact O-N 3.34Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 2.89Å; Q69-K72 WeakPolarHBondContact O-CB 3.17Å; Q69-K72 PolarHBondContact O-N 3.28Å; Q69-S267 PolarHBondContact NE2-O 3.16Å; Q69-S267 PolarHBondContact NE2-OG 3.49Å; Q69-V270 HydrophobicContact CB-CG1 4Å; Q69-V270 VanDerWaalsContact CD-CG1 3.44Å; Q69-V270 HydrophobicContact CG-CG1 3.95Å; Q69-L274 HydrophobicContact CB-CD1 3.63Å
70L98.6Very high97.9Very high0 Ų017.5 Ų17.50%010%0.098CC..Hα-helixtrans-63.2-34.9174.8-74.8171.2000112.5L48 V53 V55 L66 A67 K72 L73 V75 L77 L274 M277L48-L70 HydrophobicContact CD1-CD2 4.1Å; V53-L70 HydrophobicContact CB-CD1 4.26Å; V53-L70 HydrophobicContact CG1-CD1 3.69Å; V55-L70 HydrophobicContact CG2-CD1 4.08Å; L66-L70 HydrophobicContact CD1-CD1 3.91Å; L66-L70 HydrophobicContact CD1-CG 3.97Å; L66-L70 HydrophobicContact CD2-CD1 4.38Å; L66-L70 HydrophobicContact CG-CD1 3.73Å; L66-L70 HydrophobicContact CG-CG 4.24Å; L66-L70 VanDerWaalsContact O-CB 3.3Å; L66-L70 WeakPolarHBondContact O-CB 3.24Å; L66-L70 VanDerWaalsContact O-CG 3.27Å; L66-L70 WeakPolarHBondContact O-CG 3.36Å; L66-L70 PolarHBondContact O-N 3.32Å; A67-L70 PolarHBondContact O-N 2.63Å; L70-K72 PolarHBondContact O-N 2.95Å; L70-L73 HydrophobicContact CD2-CD1 4.29Å; L70-L73 PolarHBondContact O-N 3.34Å; L70-V75 HydrophobicContact CB-CG2 4Å; L70-V75 HydrophobicContact CD2-CG1 4.38Å; L70-L77 HydrophobicContact CB-CD1 4.37Å; L70-L77 HydrophobicContact CB-CD2 3.79Å; L70-L77 HydrophobicContact CD1-CD2 3.79Å; L70-L77 HydrophobicContact CG-CD2 4.43Å; L70-L274 HydrophobicContact CD2-CD2 3.46Å; L70-L274 VanDerWaalsContact CD2-CD2 3.46Å; L70-L274 HydrophobicContact CG-CD2 3.94Å; L70-M277 HydrophobicContact CD2-CE 4.43Å
71S98.3Very high98Very high1 Ų116.6 Ų16.61%0.0079%0.092CC..THydrogen-bonded Turntrans-63-13.7178.477.90000113.5A67 Y68 Q69 C94 G98 N99 L100A67-S71 WeakPolarHBondContact O-CB 3.23Å; A67-S71 PolarHBondContact O-N 2.82Å; Y68-S71 PolarHBondContact O-OG 2.81Å; Y68-S71 VanDerWaalsContact O-OG 3.1Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 2.89Å; S71-C94 PolarHBondContact OG-O 3.39Å; S71-G98 WeakPolarHBondContact O-CA 3.03Å; S71-N99 PolarHBondContact O-N 2.78Å; S71-L100 WeakPolarHBondContact O-CG 3.4Å
72K97.8Very high98.1Very high110 Ų11022.9 Ų22.948%0.47811%0.111SC..THydrogen-bonded Turntrans-88.7-11.3175.4-60.8174.2-175.8179.40113Q69 L70 N97 N99Q69-K72 WeakPolarHBondContact O-CB 3.17Å; Q69-K72 PolarHBondContact O-N 3.28Å; L70-K72 PolarHBondContact O-N 2.95Å; K72-N97 WeakPolarHBondContact CE-O 3.05Å; K72-N99 PolarHBondContact O-ND2 2.88Å
73L97.1Very high98Very high17 Ų1726.1 Ų26.19%0.08912%0.122CC..THydrogen-bonded Turntrans-101.43.7-170.2-47-175.4000114.1P44 E45 L48 T49 L70 V75 L274P44-L73 HydrophobicContact CB-CD1 4.16Å; E45-L73 HydrophobicContact CB-CD2 4.43Å; E45-L73 HydrophobicContact CG-CD2 3.94Å; L48-L73 HydrophobicContact CB-CD1 4.27Å; L48-L73 HydrophobicContact CD1-CD1 3.89Å; T49-L73 WeakPolarHBondContact CA-O 3.26Å; T49-L73 WeakPolarHBondContact CB-O 3.33Å; T49-L73 PolarHBondContact OG1-O 3.48Å; L70-L73 HydrophobicContact CD2-CD1 4.29Å; L70-L73 PolarHBondContact O-N 3.34Å; L73-V75 HydrophobicContact CB-CG1 4.02Å; L73-L274 HydrophobicContact CD1-CD1 4.31Å; L73-L274 HydrophobicContact CD1-CD2 4.31Å
74G94.3Very high98Very high27 Ų2729.2 Ų29.228%0.27814%0.141SC..THydrogen-bonded Turntrans71.436.9179.600000113.6D50D50-G74 PolarHBondContact N-O 3.3Å
75V98.1Very high98Very high2 Ų233.8 Ų33.81%0.01216%0.162CC..  trans-95.5159.5177.2-410000110.7L48 M51 V53 L70 L73 L77 L100L48-V75 HydrophobicContact CB-CG1 4.33Å; L48-V75 WeakPolarHBondContact O-CG1 3.43Å; M51-V75 WeakPolarHBondContact O-CA 3.44Å; M51-V75 WeakPolarHBondContact O-CB 3.45Å; V53-V75 HydrophobicContact CG2-CB 4.24Å; V53-V75 HydrophobicContact CG2-CG2 4.28Å; L70-V75 HydrophobicContact CB-CG2 4Å; L70-V75 HydrophobicContact CD2-CG1 4.38Å; L73-V75 HydrophobicContact CB-CG1 4.02Å; V75-L77 HydrophobicContact CG2-CD1 4.45Å; V75-L77 HydrophobicContact CG2-CD2 3.41Å; V75-L77 VanDerWaalsContact CG2-CD2 3.41Å; V75-L77 HydrophobicContact CG2-CG 3.59Å; V75-L100 VanDerWaalsContact O-CD1 3.26Å; V75-L100 WeakPolarHBondContact O-CD1 3.46Å; V75-L100 WeakPolarHBondContact O-CD2 3.47Å
76S98.8Very high98Very high24 Ų2433.6 Ų33.617%0.16816%0.161CC..EExtended strand (participates in β ladder)trans-87.2129.4161.2-58.20000109.4M51 V52 V53 D104M51-S76 PolarHBondContact O-N 3.17Å; V52-S76 WeakPolarHBondContact CA-O 3.38Å; V53-S76 PolarHBondContact N-O 3.09Å; S76-D104 CarbonylContact C-O 3.17Å; S76-D104 WeakPolarHBondContact CA-O 3.42Å
77L98.8Very high98Very high0 Ų033.6 Ų33.60%016%0.161CC..EExtended strand (participates in β ladder)trans-110.2129.1-174.4-73.1-179.8000111.9V53 L70 V75 L79 L100 D104 I105 L106V53-L77 HydrophobicContact CB-CD2 4.21Å; L70-L77 HydrophobicContact CB-CD1 4.37Å; L70-L77 HydrophobicContact CB-CD2 3.79Å; L70-L77 HydrophobicContact CD1-CD2 3.79Å; L70-L77 HydrophobicContact CG-CD2 4.43Å; V75-L77 HydrophobicContact CG2-CD1 4.45Å; V75-L77 HydrophobicContact CG2-CD2 3.41Å; V75-L77 VanDerWaalsContact CG2-CD2 3.41Å; V75-L77 HydrophobicContact CG2-CG 3.59Å; L77-L79 HydrophobicContact CB-CD2 4.32Å; L77-L100 HydrophobicContact CB-CD1 4.42Å; L77-L100 HydrophobicContact CD1-CD1 3.64Å; L77-L100 HydrophobicContact CG-CD1 3.83Å; L77-D104 PolarHBondContact N-O 3.34Å; L77-I105 HydrophobicContact CB-CG1 4.32Å; L77-I105 HydrophobicContact CB-CG2 4.24Å; L77-I105 CarbonylContact O-C 3.59Å; L77-I105 VanDerWaalsContact O-CA 3.29Å; L77-I105 WeakPolarHBondContact O-CA 3.33Å; L77-L106 PolarHBondContact O-N 2.63Å
78V98.9Very high98Very high0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-105.7121.1162.1-173.50000108.4V53 W54 V55 L106 L108 V125 F129V53-V78 PolarHBondContact O-N 3.39Å; W54-V78 HydrophobicContact CB-CB 4Å; W54-V78 HydrophobicContact CB-CG2 4.36Å; W54-V78 VanDerWaalsContact CD1-CG1 3.42Å; W54-V78 HydrophobicContact CD2-CG1 4.37Å; W54-V78 HydrophobicContact CG-CB 3.82Å; W54-V78 HydrophobicContact CG-CG1 3.96Å; W54-V78 HydrophobicContact CG-CG2 4.45Å; V55-V78 PolarHBondContact N-O 2.87Å; V78-L106 CarbonylContact C-O 3.56Å; V78-L106 WeakPolarHBondContact CA-O 3.31Å; V78-L106 HydrophobicContact CG1-CB 4.46Å; V78-L106 HydrophobicContact CG1-CD2 4.22Å; V78-L106 HydrophobicContact CG1-CG 4.43Å; V78-L106 HydrophobicContact CG2-CB 4.36Å; V78-L106 HydrophobicContact CG2-CD2 4.36Å; V78-L108 HydrophobicContact CG1-CB 3.78Å; V78-L108 HydrophobicContact CG1-CD2 3.93Å; V78-V125 HydrophobicContact CB-CG2 4.38Å; V78-V125 HydrophobicContact CG1-CG2 3.79Å; V78-V125 HydrophobicContact CG2-CB 4.37Å; V78-V125 HydrophobicContact CG2-CG1 3.61Å; V78-V125 HydrophobicContact CG2-CG2 3.87Å; V78-F129 HydrophobicContact CG2-CD2 3.88Å; V78-F129 HydrophobicContact CG2-CE2 3.66Å
79L98.9Very high98Very high0 Ų039.1 Ų39.10%019%0.185CC..EExtended strand (participates in β ladder)trans-105.8113.4-179.4-53.8-179.2000109.6A58 A67 L77 L87 V90 K91 I105 L106 L108A58-L79 HydrophobicContact CB-CB 4.07Å; A58-L79 HydrophobicContact CB-CD2 4.04Å; A67-L79 HydrophobicContact CB-CD2 3.64Å; L77-L79 HydrophobicContact CB-CD2 4.32Å; L79-L87 HydrophobicContact CB-CD2 4.04Å; L79-V90 HydrophobicContact CD1-CB 4.47Å; L79-V90 HydrophobicContact CD1-CG1 3.98Å; L79-K91 HydrophobicContact CD1-CB 4.11Å; L79-I105 HydrophobicContact CD1-CG2 3.72Å; L79-I105 HydrophobicContact CG-CG2 3.96Å; L79-L106 PolarHBondContact N-O 3.2Å; L79-L108 PolarHBondContact O-N 2.87Å
80S98.8Very high98Very high1 Ų138.1 Ų38.11%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-122.2130.5-178.5-72.20000114W54 V55 T56 G57 A58 L108W54-S80 PolarHBondContact NE1-OG 2.82Å; V55-S80 PolarHBondContact O-N 3.48Å; T56-S80 CarbonylContact C-O 3.58Å; T56-S80 WeakPolarHBondContact CA-O 3.37Å; G57-S80 PolarHBondContact N-O 2.9Å; A58-S80 PolarHBondContact N-O 3.48Å; A58-S80 VanDerWaalsContact N-O 3.16Å; S80-L108 WeakPolarHBondContact CA-O 3.34Å; S80-L108 VanDerWaalsContact CB-O 3.27Å; S80-L108 WeakPolarHBondContact CB-O 3.5Å; S80-L108 PolarHBondContact OG-O 3.23Å
81A98.1Very high98Very high10 Ų1039 Ų398%0.08318%0.184CC..  trans-168.8175.2170.100000109S59 L87 P109 L110S59-A81 WeakPolarHBondContact OG-CB 3.42Å; A81-L87 HydrophobicContact CB-CD1 4.23Å; A81-L87 HydrophobicContact CB-CD2 3.77Å; A81-L87 HydrophobicContact CB-CG 4.15Å; A81-L87 WeakPolarHBondContact O-CD1 3.4Å; A81-P109 WeakPolarHBondContact O-CA 3.35Å; A81-L110 CarbonylContact C-O 3.47Å; A81-L110 PolarHBondContact O-N 3.17Å
82R96.5Very high98Very high148 Ų14846.1 Ų46.156%0.55821%0.21SC*.SBendtrans-72.8-31.5177.8-60.4172.9-63.7165.22.1113.8V84 L110 D111R82-V84 PolarHBondContact O-N 2.88Å; R82-L110 PolarHBondContact N-O 3.43Å; R82-D111 VanDerWaalsContact CD-CG 3.47Å; R82-D111 VanDerWaalsContact CD-OD2 3.27Å; R82-D111 WeakPolarHBondContact CD-OD2 3.35Å; R82-D111 HydrophobicContact CG-CB 3.89Å
83R96.4Very high98Very high91 Ų9147 Ų4734%0.34321%0.211SC..  trans-93.292.8-170.4-65.5179.3-62.6148.69.9110.8S59 H85 E86 L87S59-R83 PolarHBondContact O-NH2 2.97Å; S59-R83 VanDerWaalsContact O-NH2 3.16Å; S59-R83 PolarHBondContact OG-NH2 3.48Å; R83-H85 PolarHBondContact O-N 3Å; R83-E86 HydrophobicContact CB-CB 4.11Å; R83-E86 HydrophobicContact CB-CG 4.14Å; R83-E86 PolarHBondContact O-N 2.96Å; R83-E86 VanDerWaalsContact O-N 3.17Å; R83-L87 PolarHBondContact O-N 3.07Å; R83-L87 VanDerWaalsContact O-N 3.12Å
84V97.8Very high98.1Very high66 Ų6646.2 Ų46.240%0.421%0.206SC..Hα-helixtrans-56.4-46.2-177.1-171.40000112.4R82 E86 L87 E88 P109R82-V84 PolarHBondContact O-N 2.88Å; V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 3.21Å; V84-L87 WeakPolarHBondContact O-CB 3.43Å; V84-L87 PolarHBondContact O-N 3.12Å; V84-E88 HydrophobicContact CG1-CG 4.42Å; V84-E88 PolarHBondContact O-N 2.83Å; V84-P109 HydrophobicContact CG1-CG 4.45Å; V84-P109 HydrophobicContact CG2-CB 3.98Å; V84-P109 HydrophobicContact CG2-CG 3.67Å
85H98Very high98.2Very high125 Ų12547.1 Ų47.158%0.57921%0.205SC*.Hα-helixtrans-57.9-36.9179.565.5-86.4000113.4R83 R89R83-H85 PolarHBondContact O-N 3Å; H85-R89 WeakPolarHBondContact O-CB 3.47Å; H85-R89 PolarHBondContact O-N 3.32Å
86E98.1Very high98.2Very high38 Ų3853.9 Ų53.918%0.17824%0.236CC..Hα-helixtrans-73.3-37.1176-71-60.6111.700111.8R83 V84 E88 R89 V90R83-E86 HydrophobicContact CB-CB 4.11Å; R83-E86 HydrophobicContact CB-CG 4.14Å; R83-E86 PolarHBondContact O-N 2.96Å; R83-E86 VanDerWaalsContact O-N 3.17Å; V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 3.21Å; E86-E88 VanDerWaalsContact C-N 3.32Å; E86-R89 WeakPolarHBondContact O-CB 3.19Å; E86-R89 PolarHBondContact O-N 2.86Å; E86-R89 IonicContact OE1-NE 2.67Å; E86-R89 IonicContact OE2-CZ 3.77Å; E86-R89 VanDerWaalsContact OE2-CZ 3.25Å; E86-R89 IonicContact OE2-NE 3.91Å; E86-R89 PolarHBondContact OE2-NE 2.92Å; E86-R89 IonicContact OE2-NH2 2.63Å; E86-R89 PolarHBondContact OE2-NH2 2.89Å; E86-V90 VanDerWaalsContact O-CG2 3.29Å; E86-V90 WeakPolarHBondContact O-CG2 3.37Å; E86-V90 PolarHBondContact O-N 3.02Å
87L98.6Very high97.9Very high0 Ų057.1 Ų57.10%025%0.252CS..Hα-helixtrans-62.1-42.7174.3-65.7173.9000111.1A58 L79 A81 R83 V84 R89 V90 K91 V107A58-L87 HydrophobicContact CB-CD2 4.06Å; L79-L87 HydrophobicContact CB-CD2 4.04Å; A81-L87 HydrophobicContact CB-CD1 4.23Å; A81-L87 HydrophobicContact CB-CD2 3.77Å; A81-L87 HydrophobicContact CB-CG 4.15Å; A81-L87 WeakPolarHBondContact O-CD1 3.4Å; R83-L87 PolarHBondContact O-N 3.07Å; R83-L87 VanDerWaalsContact O-N 3.12Å; V84-L87 WeakPolarHBondContact O-CB 3.43Å; V84-L87 PolarHBondContact O-N 3.12Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 3.17Å; L87-V90 PolarHBondContact O-N 3.42Å; L87-K91 WeakPolarHBondContact O-CB 3.46Å; L87-K91 PolarHBondContact O-N 2.86Å; L87-V107 HydrophobicContact CB-CG1 3.68Å; L87-V107 HydrophobicContact CB-CG2 4.28Å; L87-V107 HydrophobicContact CD1-CG1 3.96Å; L87-V107 HydrophobicContact CG-CG1 4.49Å
88E98.6Very high97.7Very high73 Ų7357.9 Ų57.934%0.34126%0.259SS..Hα-helixtrans-65.9-35.8175.4-67.8-60.3167.200112.5V84 E86 K91 R92V84-E88 HydrophobicContact CG1-CG 4.42Å; V84-E88 PolarHBondContact O-N 2.83Å; E86-E88 VanDerWaalsContact C-N 3.32Å; E88-K91 PolarHBondContact O-N 3.3Å; E88-R92 WeakPolarHBondContact O-CB 3.47Å; E88-R92 WeakPolarHBondContact O-CG 3.23Å; E88-R92 PolarHBondContact O-N 3.14Å
89R98.4Very high97.5Very high68 Ų6863.8 Ų63.826%0.25729%0.291SS..Hα-helixtrans-61.7-44.4170.8-175.3-173.863.168.6-1.8111.3E64 Y68 H85 E86 L87 R93E64-R89 IonicContact OE1-CZ 3.55Å; E64-R89 IonicContact OE1-NH1 3.9Å; E64-R89 PolarHBondContact OE1-NH1 2.92Å; E64-R89 IonicContact OE1-NH2 2.77Å; E64-R89 PolarHBondContact OE1-NH2 3.03Å; E64-R89 IonicContact OE2-NH2 3.79Å; Y68-R89 PolarHBondContact OH-NH1 3.46Å; H85-R89 WeakPolarHBondContact O-CB 3.47Å; H85-R89 PolarHBondContact O-N 3.32Å; E86-R89 WeakPolarHBondContact O-CB 3.19Å; E86-R89 PolarHBondContact O-N 2.86Å; E86-R89 IonicContact OE1-NE 2.67Å; E86-R89 IonicContact OE2-CZ 3.77Å; E86-R89 VanDerWaalsContact OE2-CZ 3.25Å; E86-R89 IonicContact OE2-NE 3.91Å; E86-R89 PolarHBondContact OE2-NE 2.92Å; E86-R89 IonicContact OE2-NH2 2.63Å; E86-R89 PolarHBondContact OE2-NH2 2.89Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 3.17Å; R89-R93 PolarHBondContact O-N 3.37Å
90V98.6Very high97.4Very high0 Ų064.4 Ų64.40%030%0.295CS..Hα-helixtrans-64.6-47.4177.31730000110.4E64 A67 Y68 L79 E86 L87 R92 R93 C94E64-V90 HydrophobicContact CB-CG2 4.27Å; E64-V90 HydrophobicContact CG-CG2 3.84Å; A67-V90 HydrophobicContact CB-CG1 3.84Å; Y68-V90 HydrophobicContact CD1-CG1 4.41Å; Y68-V90 HydrophobicContact CE1-CB 4.32Å; Y68-V90 HydrophobicContact CE1-CG1 3.77Å; L79-V90 HydrophobicContact CD1-CB 4.47Å; L79-V90 HydrophobicContact CD1-CG1 3.98Å; E86-V90 VanDerWaalsContact O-CG2 3.29Å; E86-V90 WeakPolarHBondContact O-CG2 3.37Å; E86-V90 PolarHBondContact O-N 3.02Å; L87-V90 PolarHBondContact O-N 3.42Å; V90-R92 PolarHBondContact O-N 3.45Å; V90-R93 PolarHBondContact O-N 3.14Å; V90-C94 PolarHBondContact O-N 2.91Å; V90-C94 PolarHBondContact O-SG 2.83Å
91K98.6Very high97.3Very high19 Ų1971.1 Ų71.18%0.08332%0.323CS..Hα-helixtrans-54.4-52.7175.7174.4168.1171.9175.70111.9L79 L87 E88 R93 C94 L95 E102 I105 V107L79-K91 HydrophobicContact CD1-CB 4.11Å; L87-K91 WeakPolarHBondContact O-CB 3.46Å; L87-K91 PolarHBondContact O-N 2.86Å; E88-K91 PolarHBondContact O-N 3.3Å; K91-R93 VanDerWaalsContact C-N 3.29Å; K91-R93 PolarHBondContact O-N 3.43Å; K91-C94 WeakPolarHBondContact O-CB 3.46Å; K91-C94 PolarHBondContact O-N 2.92Å; K91-C94 VanDerWaalsContact O-N 3.08Å; K91-L95 HydrophobicContact CG-CD1 3.97Å; K91-L95 HydrophobicContact CG-CG 4.49Å; K91-L95 WeakPolarHBondContact O-CG 3.47Å; K91-L95 PolarHBondContact O-N 2.94Å; K91-E102 WeakPolarHBondContact CE-OE1 3.47Å; K91-E102 WeakPolarHBondContact CE-OE2 3.39Å; K91-E102 IonicContact NZ-OE1 3.96Å; K91-E102 PolarHBondContact NZ-OE1 3Å; K91-E102 IonicContact NZ-OE2 3.37Å; K91-I105 HydrophobicContact CB-CG2 4.24Å; K91-I105 HydrophobicContact CD-CB 4.19Å; K91-I105 HydrophobicContact CD-CG2 3.91Å; K91-I105 HydrophobicContact CG-CB 4.21Å; K91-I105 HydrophobicContact CG-CD1 4.32Å; K91-I105 HydrophobicContact CG-CG2 3.85Å; K91-I105 PolarHBondContact NZ-O 3.09Å; K91-I105 VanDerWaalsContact NZ-O 3.12Å; K91-V107 HydrophobicContact CB-CG2 3.99Å; K91-V107 HydrophobicContact CD-CG2 3.62Å; K91-V107 HydrophobicContact CG-CG2 4.43Å
92R98.5Very high97.2Very high149 Ų14976.1 Ų76.156%0.56235%0.345SS*.Hα-helixtrans-54-46.4177.3-76.2-173.7-66.2162.7-1.6112E88 V90 C94 L95 E96E88-R92 WeakPolarHBondContact O-CB 3.47Å; E88-R92 WeakPolarHBondContact O-CG 3.23Å; E88-R92 PolarHBondContact O-N 3.14Å; V90-R92 PolarHBondContact O-N 3.45Å; R92-C94 VanDerWaalsContact C-N 3.34Å; R92-C94 PolarHBondContact O-N 3.36Å; R92-L95 PolarHBondContact O-N 2.82Å; R92-E96 VanDerWaalsContact O-CG 3.32Å; R92-E96 WeakPolarHBondContact O-CG 3.36Å; R92-E96 PolarHBondContact O-N 3.37Å
93R98.1Very high97.2Very high129 Ų12976 Ų7649%0.48735%0.349SS..Hα-helixtrans-68.4-32.6179.6-166.9166.6-177.2176.62.4113.2Y68 R89 V90 K91 L95 N97Y68-R93 HydrophobicContact CD1-CG 4.47Å; Y68-R93 HydrophobicContact CE1-CB 3.72Å; Y68-R93 HydrophobicContact CE1-CG 3.93Å; Y68-R93 WeakPolarHBondContact OH-CD 3.39Å; R89-R93 PolarHBondContact O-N 3.37Å; V90-R93 PolarHBondContact O-N 3.14Å; K91-R93 VanDerWaalsContact C-N 3.29Å; K91-R93 PolarHBondContact O-N 3.43Å; R93-L95 VanDerWaalsContact C-N 3.34Å; R93-N97 VanDerWaalsContact CG-ND2 3.3Å; R93-N97 WeakPolarHBondContact CG-ND2 3.49Å; R93-N97 WeakPolarHBondContact O-CB 3.39Å; R93-N97 PolarHBondContact O-N 2.97Å; R93-N97 VanDerWaalsContact O-N 3.09Å; R93-N97 PolarHBondContact O-ND2 3.08Å
94C98.4Very high97.3Very high0 Ų073.3 Ų73.30%034%0.341CS..Hα-helixtrans-63.1-39.7171.5-72.70000112S71 V90 K91 R92 G98 I105S71-C94 PolarHBondContact OG-O 3.39Å; V90-C94 PolarHBondContact O-N 2.91Å; V90-C94 PolarHBondContact O-SG 2.83Å; K91-C94 WeakPolarHBondContact O-CB 3.46Å; K91-C94 PolarHBondContact O-N 2.92Å; K91-C94 VanDerWaalsContact O-N 3.08Å; R92-C94 VanDerWaalsContact C-N 3.34Å; R92-C94 PolarHBondContact O-N 3.36Å; C94-G98 WeakPolarHBondContact O-CA 3.41Å; C94-G98 PolarHBondContact O-N 3.27Å; C94-I105 HydrophobicContact CB-CD1 3.63Å
95L98Very high97.4Very high47 Ų4770.4 Ų70.425%0.24632%0.323CS..Hα-helixtrans-72.3-40.1177.9-63.5166.6000111.8K91 R92 R93 L100 E102 I105K91-L95 HydrophobicContact CG-CD1 3.97Å; K91-L95 HydrophobicContact CG-CG 4.49Å; K91-L95 WeakPolarHBondContact O-CG 3.47Å; K91-L95 PolarHBondContact O-N 2.94Å; R92-L95 PolarHBondContact O-N 2.82Å; R93-L95 VanDerWaalsContact C-N 3.34Å; L95-L100 WeakPolarHBondContact CD2-O 3.31Å; L95-E102 WeakPolarHBondContact CD1-OE2 3.15Å; L95-I105 HydrophobicContact CD2-CD1 3.8Å; L95-I105 HydrophobicContact CD2-CG1 4.43Å; L95-I105 HydrophobicContact CG-CD1 4Å
96E97.1Very high97.4Very high143 Ų14366.1 Ų66.167%0.66830%0.304SS*.Hα-helixtrans-67.7-38.1179.2-73.8167.7-175.900113.2R92R92-E96 VanDerWaalsContact O-CG 3.32Å; R92-E96 WeakPolarHBondContact O-CG 3.36Å; R92-E96 PolarHBondContact O-N 3.37Å
97N93.6Very high97.4Very high92 Ų9265.3 Ų65.349%0.49230%0.302SS..Hα-helixtrans-1152.7-170.6-57.8-75.9000114.1K72 R93K72-N97 WeakPolarHBondContact CE-O 3.05Å; R93-N97 VanDerWaalsContact CG-ND2 3.3Å; R93-N97 WeakPolarHBondContact CG-ND2 3.49Å; R93-N97 WeakPolarHBondContact O-CB 3.39Å; R93-N97 PolarHBondContact O-N 2.97Å; R93-N97 VanDerWaalsContact O-N 3.09Å; R93-N97 PolarHBondContact O-ND2 3.08Å
98G94.3Very high97.4Very high16 Ų1666.4 Ų66.417%0.16531%0.308CS..SBendtrans-115.1-170.2-179.200000112.4S71 C94S71-G98 WeakPolarHBondContact O-CA 3.03Å; C94-G98 WeakPolarHBondContact O-CA 3.41Å; C94-G98 PolarHBondContact O-N 3.27Å
99N93.9Very high97.4Very high125 Ų12566.3 Ų66.367%0.66831%0.313SS*.SBendtrans-109.911.8179.8-63.5-33.7000112S71 K72S71-N99 PolarHBondContact O-N 2.78Å; K72-N99 PolarHBondContact O-ND2 2.88Å
100L96.4Very high97.4Very high13 Ų1363.6 Ų63.67%0.06830%0.304CS..  trans-92.6153.6-176.8-58.7-166.4000112S71 V75 L77 L95 D104 I105S71-L100 WeakPolarHBondContact O-CG 3.4Å; V75-L100 VanDerWaalsContact O-CD1 3.26Å; V75-L100 WeakPolarHBondContact O-CD1 3.46Å; V75-L100 WeakPolarHBondContact O-CD2 3.47Å; L77-L100 HydrophobicContact CB-CD1 4.42Å; L77-L100 HydrophobicContact CD1-CD1 3.64Å; L77-L100 HydrophobicContact CG-CD1 3.83Å; L95-L100 WeakPolarHBondContact CD2-O 3.31Å; L100-D104 HydrophobicContact CB-CB 4.13Å; L100-D104 HydrophobicContact CD1-CB 4.49Å; L100-D104 HydrophobicContact CD2-CB 4.41Å; L100-I105 HydrophobicContact CB-CD1 4.18Å; L100-I105 HydrophobicContact CB-CG1 4.24Å; L100-I105 HydrophobicContact CD1-CD1 3.99Å; L100-I105 HydrophobicContact CD1-CG1 3.79Å
101K96.9Very high97.4Very high141 Ų14166.1 Ų66.161%0.61332%0.318SS*.  trans-103.1167.9172-58.3175.3-176.7176.10110.1K103 D104K101-K103 HydrophobicContact CB-CG 4.27Å; K101-K103 PolarHBondContact O-N 3.12Å; K101-D104 WeakPolarHBondContact CA-OD2 3.41Å; K101-D104 WeakPolarHBondContact CB-OD2 3.37Å; K101-D104 PolarHBondContact N-OD2 3.22Å; K101-D104 WeakPolarHBondContact O-CB 3.29Å; K101-D104 PolarHBondContact O-N 3.49Å
102E96.8Very high97.4Very high115 Ų11565.8 Ų65.854%0.53732%0.316SS..G310 helixtrans-50.8-43.3-179.4-172.163.7-162.100112.9K91 L95 D104 I105K91-E102 WeakPolarHBondContact CE-OE1 3.47Å; K91-E102 WeakPolarHBondContact CE-OE2 3.39Å; K91-E102 IonicContact NZ-OE1 3.96Å; K91-E102 PolarHBondContact NZ-OE1 3Å; K91-E102 IonicContact NZ-OE2 3.37Å; L95-E102 WeakPolarHBondContact CD1-OE2 3.15Å; E102-D104 PolarHBondContact O-N 2.8Å; E102-I105 PolarHBondContact O-N 3.19Å
103K96.9Very high97.3Very high146 Ų14661.8 Ų61.864%0.63531%0.309SS*.G310 helixtrans-68.6-16.8178.665.1165.8-167.1163.20114.5K101 I105 F129K101-K103 HydrophobicContact CB-CG 4.27Å; K101-K103 PolarHBondContact O-N 3.12Å; K103-I105 VanDerWaalsContact C-N 3.29Å; K103-F129 WeakPolarHBondContact O-CE1 3.29Å
104D98.1Very high97.3Very high34 Ų3460 Ų6018%0.18231%0.309CS..G310 helixtrans-89.2-2.3-178.6-51.6-42.4000110.7S76 L77 L100 K101 E102S76-D104 CarbonylContact C-O 3.17Å; S76-D104 WeakPolarHBondContact CA-O 3.42Å; L77-D104 PolarHBondContact N-O 3.34Å; L100-D104 HydrophobicContact CB-CB 4.13Å; L100-D104 HydrophobicContact CD1-CB 4.49Å; L100-D104 HydrophobicContact CD2-CB 4.41Å; K101-D104 WeakPolarHBondContact CA-OD2 3.41Å; K101-D104 WeakPolarHBondContact CB-OD2 3.37Å; K101-D104 PolarHBondContact N-OD2 3.22Å; K101-D104 WeakPolarHBondContact O-CB 3.29Å; K101-D104 PolarHBondContact O-N 3.49Å; E102-D104 PolarHBondContact O-N 2.8Å
105I98.7Very high97.3Very high5 Ų563.4 Ų63.43%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-129.2111.8-179-48.7-177.3000111.5L77 L79 K91 C94 L95 L100 E102 K103L77-I105 HydrophobicContact CB-CG1 4.32Å; L77-I105 HydrophobicContact CB-CG2 4.24Å; L77-I105 CarbonylContact O-C 3.59Å; L77-I105 VanDerWaalsContact O-CA 3.29Å; L77-I105 WeakPolarHBondContact O-CA 3.33Å; L79-I105 HydrophobicContact CD1-CG2 3.72Å; L79-I105 HydrophobicContact CG-CG2 3.96Å; K91-I105 HydrophobicContact CB-CG2 4.24Å; K91-I105 HydrophobicContact CD-CB 4.19Å; K91-I105 HydrophobicContact CD-CG2 3.91Å; K91-I105 HydrophobicContact CG-CB 4.21Å; K91-I105 HydrophobicContact CG-CD1 4.32Å; K91-I105 HydrophobicContact CG-CG2 3.85Å; K91-I105 PolarHBondContact NZ-O 3.09Å; K91-I105 VanDerWaalsContact NZ-O 3.12Å; C94-I105 HydrophobicContact CB-CD1 3.63Å; L95-I105 HydrophobicContact CD2-CD1 3.8Å; L95-I105 HydrophobicContact CD2-CG1 4.43Å; L95-I105 HydrophobicContact CG-CD1 4Å; L100-I105 HydrophobicContact CB-CD1 4.18Å; L100-I105 HydrophobicContact CB-CG1 4.24Å; L100-I105 HydrophobicContact CD1-CD1 3.99Å; L100-I105 HydrophobicContact CD1-CG1 3.79Å; E102-I105 PolarHBondContact O-N 3.19Å; K103-I105 VanDerWaalsContact C-N 3.29Å
106L98.8Very high97.3Very high35 Ų3564.3 Ų64.318%0.18335%0.351CS..EExtended strand (participates in β ladder)trans-93.6121.1170.7-179.362.2000110.4L77 V78 L79 L108 V125 E128 F129L77-L106 PolarHBondContact O-N 2.63Å; V78-L106 CarbonylContact C-O 3.56Å; V78-L106 WeakPolarHBondContact CA-O 3.31Å; V78-L106 HydrophobicContact CG1-CB 4.46Å; V78-L106 HydrophobicContact CG1-CD2 4.22Å; V78-L106 HydrophobicContact CG1-CG 4.43Å; V78-L106 HydrophobicContact CG2-CB 4.36Å; V78-L106 HydrophobicContact CG2-CD2 4.36Å; L79-L106 PolarHBondContact N-O 3.2Å; L106-L108 HydrophobicContact CD2-CB 4.49Å; L106-L108 HydrophobicContact CG-CB 4.34Å; L106-V125 HydrophobicContact CD2-CG2 4.33Å; L106-E128 HydrophobicContact CB-CG 4.49Å; L106-E128 HydrophobicContact CD1-CG 4.48Å; L106-E128 HydrophobicContact CD2-CB 4.05Å; L106-E128 HydrophobicContact CD2-CG 4.2Å; L106-F129 HydrophobicContact CB-CE2 3.62Å; L106-F129 HydrophobicContact CB-CZ 3.93Å; L106-F129 HydrophobicContact CD2-CE2 4.35Å
107V98.8Very high97.3Very high22 Ų2259.1 Ų59.113%0.13333%0.33CS..EExtended strand (participates in β ladder)trans-88.3115166.5168.70000107.8L87 K91L87-V107 HydrophobicContact CB-CG1 3.68Å; L87-V107 HydrophobicContact CB-CG2 4.28Å; L87-V107 HydrophobicContact CD1-CG1 3.96Å; L87-V107 HydrophobicContact CG-CG1 4.49Å; K91-V107 HydrophobicContact CB-CG2 3.99Å; K91-V107 HydrophobicContact CD-CG2 3.62Å; K91-V107 HydrophobicContact CG-CG2 4.43Å
108L98.7Very high97.6Very high23 Ų2354.7 Ų54.712%0.1231%0.306CS..  trans-124.494.7-175.5-179.164.8000109.7W54 V78 L79 S80 L106 L110 A121 A124 V125W54-L108 HydrophobicContact CH2-CD2 4.27Å; W54-L108 HydrophobicContact CZ2-CD2 3.61Å; V78-L108 HydrophobicContact CG1-CB 3.78Å; V78-L108 HydrophobicContact CG1-CD2 3.93Å; L79-L108 PolarHBondContact O-N 2.87Å; S80-L108 WeakPolarHBondContact CA-O 3.34Å; S80-L108 VanDerWaalsContact CB-O 3.27Å; S80-L108 WeakPolarHBondContact CB-O 3.5Å; S80-L108 PolarHBondContact OG-O 3.23Å; L106-L108 HydrophobicContact CD2-CB 4.49Å; L106-L108 HydrophobicContact CG-CB 4.34Å; L108-L110 PolarHBondContact O-N 3.35Å; L108-A121 HydrophobicContact CD2-CB 4.18Å; L108-A124 HydrophobicContact CD1-CB 4.27Å; L108-V125 HydrophobicContact CD2-CG2 3.53Å
109P98.4Very high97.8Very high70 Ų7061.2 Ų61.246%0.45533%0.333SS..  trans-56.6131177.3-23.434.6000111A81 V84A81-P109 WeakPolarHBondContact O-CA 3.35Å; V84-P109 HydrophobicContact CG1-CG 4.45Å; V84-P109 HydrophobicContact CG2-CB 3.98Å; V84-P109 HydrophobicContact CG2-CG 3.67Å
110L98.3Very high98Very high12 Ų1258.5 Ų58.56%0.06333%0.328CS..  trans-149.1127.7-176.5-170.570000110.2W54 T56 A81 R82 L108 L112 A121 L169W54-L110 HydrophobicContact CZ2-CD2 4.16Å; T56-L110 HydrophobicContact CG2-CD2 4.43Å; A81-L110 CarbonylContact C-O 3.47Å; A81-L110 PolarHBondContact O-N 3.17Å; R82-L110 PolarHBondContact N-O 3.43Å; L108-L110 PolarHBondContact O-N 3.35Å; L110-L112 HydrophobicContact CD2-CD2 4.05Å; L110-A121 HydrophobicContact CD1-CB 3.7Å; L110-L169 HydrophobicContact CD2-CD1 4.42Å; L110-L169 HydrophobicContact CD2-CD2 4.03Å
111D98.1Very high98.1Very high53 Ų5358.3 Ų58.328%0.28333%0.328SS..  trans-101.3115.3163.4-162.5-18.3000109.6R82 T113 D114R82-D111 VanDerWaalsContact CD-CG 3.47Å; R82-D111 VanDerWaalsContact CD-OD2 3.27Å; R82-D111 WeakPolarHBondContact CD-OD2 3.35Å; R82-D111 HydrophobicContact CG-CB 3.89Å; D111-T113 PolarHBondContact O-N 3.3Å; D111-T113 PolarHBondContact OD1-N 3.42Å; D111-T113 VanDerWaalsContact OD1-N 3.12Å; D111-T113 PolarHBondContact OD1-OG1 2.89Å; D111-T113 VanDerWaalsContact OD1-OG1 3.08Å; D111-D114 HydrophobicContact CB-CB 4.26Å; D111-D114 PolarHBondContact O-N 2.96Å
112L98Very high98.2Very high11 Ų1152 Ų526%0.05830%0.301CS..THydrogen-bonded Turntrans-65.2-19.1-179.3-73.7173.6000113T56 L110 D114 H118 L161 G165 L169T56-L112 HydrophobicContact CG2-CD2 4.45Å; L110-L112 HydrophobicContact CD2-CD2 4.05Å; L112-D114 VanDerWaalsContact C-N 3.33Å; L112-H118 PolarHBondContact O-CE1 3.49Å; L112-L161 HydrophobicContact CB-CD1 3.66Å; L112-L161 HydrophobicContact CD1-CD1 4.28Å; L112-G165 WeakPolarHBondContact O-CA 3.31Å; L112-L169 HydrophobicContact CD2-CD2 4.05Å
113T97.6Very high98.3Very high66 Ų6650.9 Ų50.941%0.40530%0.296SS..THydrogen-bonded Turntrans-80.3-17.6173.459.60000112.7D111 T115 E160 L161D111-T113 PolarHBondContact O-N 3.3Å; D111-T113 PolarHBondContact OD1-N 3.42Å; D111-T113 VanDerWaalsContact OD1-N 3.12Å; D111-T113 PolarHBondContact OD1-OG1 2.89Å; D111-T113 VanDerWaalsContact OD1-OG1 3.08Å; T113-T115 VanDerWaalsContact C-N 3.34Å; T113-T115 PolarHBondContact O-N 3.33Å; T113-E160 HydrophobicContact CG2-CB 4.47Å; T113-L161 HydrophobicContact CG2-CB 3.93Å; T113-L161 HydrophobicContact CG2-CD1 4.04Å
114D97.8Very high98.4Very high91 Ų9145.5 Ų45.549%0.48728%0.278SS..  trans-90.271.8176-176.916.7000110.9D111 L112 G116 S117 H118D111-D114 HydrophobicContact CB-CB 4.26Å; D111-D114 PolarHBondContact O-N 2.96Å; L112-D114 VanDerWaalsContact C-N 3.33Å; D114-G116 PolarHBondContact O-N 3.1Å; D114-S117 WeakPolarHBondContact O-CB 3.49Å; D114-S117 PolarHBondContact O-N 3.32Å; D114-S117 PolarHBondContact O-OG 2.92Å; D114-H118 PolarHBondContact O-CD2 3.49Å
115T97.8Very high98.4Very high72 Ų7243.9 Ų43.944%0.44227%0.27SS..G310 helixtrans-59-22-175.858.40000114.4T113 S117 H118 S168T113-T115 VanDerWaalsContact C-N 3.34Å; T113-T115 PolarHBondContact O-N 3.33Å; T115-S117 PolarHBondContact O-N 2.83Å; T115-H118 PolarHBondContact O-N 2.78Å; T115-S168 WeakPolarHBondContact CB-OG 3.24Å
116G97.9Very high98.4Very high66 Ų6645.3 Ų45.368%0.6828%0.277SS*.G310 helixtrans-68.9-22.3175.800000113.5D114D114-G116 PolarHBondContact O-N 3.1Å
117S98Very high98.4Very high33 Ų3350.3 Ų50.323%0.23130%0.3CS..G310 helixtrans-83.4-15.417971.90000114.1D114 T115 E119 A120 A121D114-S117 WeakPolarHBondContact O-CB 3.49Å; D114-S117 PolarHBondContact O-N 3.32Å; D114-S117 PolarHBondContact O-OG 2.92Å; T115-S117 PolarHBondContact O-N 2.83Å; S117-E119 PolarHBondContact O-N 2.98Å; S117-A120 PolarHBondContact O-N 3.43Å; S117-A121 WeakPolarHBondContact O-CB 3.49Å; S117-A121 PolarHBondContact O-N 3.12Å
118H98.8Very high98.4Very high0 Ų054.4 Ų54.40%032%0.317CS..Hα-helixtrans-67.8-34-167.5-68.2176.6000114L112 D114 T115 T122 G165 S168 L169L112-H118 PolarHBondContact O-CE1 3.49Å; D114-H118 PolarHBondContact O-CD2 3.49Å; T115-H118 PolarHBondContact O-N 2.78Å; H118-T122 WeakPolarHBondContact O-CB 3.26Å; H118-T122 PolarHBondContact O-N 2.67Å; H118-T122 PolarHBondContact O-OG1 3.01Å; H118-G165 PolarHBondContact CE1-O 3.43Å; H118-G165 VanDerWaalsContact CE1-O 3.26Å; H118-S168 WeakPolarHBondContact ND1-CB 3.31Å; H118-S168 PolarHBondContact ND1-OG 3.05Å; H118-L169 HydrophobicContact CB-CD1 4.12Å; H118-L169 PolarHBondContact ND1-N 3.04Å
119E98.6Very high98.4Very high153 Ų15355 Ų5572%0.71532%0.319SS*.Hα-helixtrans-66.5-50.3176.5-176.3172-16500110.6S117 A121 T122 E123S117-E119 PolarHBondContact O-N 2.98Å; E119-A121 VanDerWaalsContact C-N 3.3Å; E119-A121 PolarHBondContact O-N 3.31Å; E119-T122 WeakPolarHBondContact O-CB 3.46Å; E119-T122 PolarHBondContact O-N 2.95Å; E119-T122 VanDerWaalsContact O-N 3.1Å; E119-E123 PolarHBondContact O-N 3.09Å
120A98.6Very high98.4Very high68 Ų6854.3 Ų54.356%0.56233%0.325SS*.Hα-helixtrans-60.6-39.117600000112.3S117 T122 E123 A124S117-A120 PolarHBondContact O-N 3.43Å; A120-T122 VanDerWaalsContact C-N 3.35Å; A120-E123 PolarHBondContact O-N 2.92Å; A120-A124 WeakPolarHBondContact O-CB 3.5Å; A120-A124 PolarHBondContact O-N 2.87Å
121A98.8Very high98.4Very high9 Ų958.4 Ų58.47%0.07434%0.339CS..Hα-helixtrans-63.6-40.8174.700000112W54 L108 L110 S117 E119 A124 V125W54-A121 HydrophobicContact CH2-CB 4.04Å; W54-A121 HydrophobicContact CZ2-CB 4.22Å; L108-A121 HydrophobicContact CD2-CB 4.18Å; L110-A121 HydrophobicContact CD1-CB 3.7Å; S117-A121 WeakPolarHBondContact O-CB 3.49Å; S117-A121 PolarHBondContact O-N 3.12Å; E119-A121 VanDerWaalsContact C-N 3.3Å; E119-A121 PolarHBondContact O-N 3.31Å; A121-A124 PolarHBondContact O-N 3.18Å; A121-V125 WeakPolarHBondContact O-CG2 3.27Å; A121-V125 PolarHBondContact O-N 3.19Å
122T98.9Very high98.4Very high7 Ų755.9 Ų55.94%0.04333%0.326CS..Hα-helixtrans-64.2-46.4176.9-58.80000110.7H118 E119 A120 A124 V125 L126 I132 C172 V173H118-T122 WeakPolarHBondContact O-CB 3.26Å; H118-T122 PolarHBondContact O-N 2.67Å; H118-T122 PolarHBondContact O-OG1 3.01Å; E119-T122 WeakPolarHBondContact O-CB 3.46Å; E119-T122 PolarHBondContact O-N 2.95Å; E119-T122 VanDerWaalsContact O-N 3.1Å; A120-T122 VanDerWaalsContact C-N 3.35Å; T122-A124 VanDerWaalsContact C-N 3.33Å; T122-A124 PolarHBondContact O-N 2.99Å; T122-V125 PolarHBondContact O-N 3.18Å; T122-V125 VanDerWaalsContact O-N 3.17Å; T122-L126 HydrophobicContact CG2-CD1 4.25Å; T122-L126 WeakPolarHBondContact O-CG 3.3Å; T122-L126 PolarHBondContact O-N 2.97Å; T122-L126 VanDerWaalsContact O-N 3.07Å; T122-I132 HydrophobicContact CG2-CD1 3.94Å; T122-C172 WeakPolarHBondContact OG1-CB 3.47Å; T122-V173 HydrophobicContact CG2-CG2 3.96Å
123E98.7Very high98.5Very high92 Ų9255.7 Ų55.743%0.4333%0.325SS..Hα-helixtrans-60-41.6177.2-179.556.4-153.900111.8E119 A120 V125 L126 Q127E119-E123 PolarHBondContact O-N 3.09Å; A120-E123 PolarHBondContact O-N 2.92Å; E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 PolarHBondContact O-N 2.66Å; E123-L126 PolarHBondContact O-N 3.08Å; E123-L126 VanDerWaalsContact O-N 3.12Å; E123-Q127 HydrophobicContact CG-CG 4.39Å; E123-Q127 VanDerWaalsContact O-CG 3.31Å; E123-Q127 WeakPolarHBondContact O-CG 3.49Å; E123-Q127 PolarHBondContact O-N 3.27Å; E123-Q127 WeakPolarHBondContact OE1-CG 3.45Å; E123-Q127 PolarHBondContact OE1-NE2 2.87Å
124A98.8Very high98.5Very high33 Ų3352.5 Ų52.527%0.27331%0.305SS..Hα-helixtrans-59.3-38.9176.200000112.8L108 A120 A121 T122 Q127 E128L108-A124 HydrophobicContact CD1-CB 4.27Å; A120-A124 WeakPolarHBondContact O-CB 3.5Å; A120-A124 PolarHBondContact O-N 2.87Å; A121-A124 PolarHBondContact O-N 3.18Å; T122-A124 VanDerWaalsContact C-N 3.33Å; T122-A124 PolarHBondContact O-N 2.99Å; A124-Q127 PolarHBondContact O-N 3.11Å; A124-E128 PolarHBondContact O-N 2.82Å; A124-E128 VanDerWaalsContact O-N 3.12Å
125V98.8Very high98.6Very high0 Ų048.2 Ų48.20%028%0.282CS..Hα-helixtrans-67.5-41.5175.31780000111.4W54 V78 L106 L108 A121 T122 E123 Q127 E128 F129 I132W54-V125 HydrophobicContact CD2-CG2 4.04Å; W54-V125 HydrophobicContact CE3-CG2 3.96Å; W54-V125 HydrophobicContact CH2-CG2 4.08Å; W54-V125 HydrophobicContact CZ2-CG2 4.18Å; W54-V125 HydrophobicContact CZ3-CG2 3.99Å; V78-V125 HydrophobicContact CB-CG2 4.38Å; V78-V125 HydrophobicContact CG1-CG2 3.79Å; V78-V125 HydrophobicContact CG2-CB 4.37Å; V78-V125 HydrophobicContact CG2-CG1 3.61Å; V78-V125 HydrophobicContact CG2-CG2 3.87Å; L106-V125 HydrophobicContact CD2-CG2 4.33Å; L108-V125 HydrophobicContact CD2-CG2 3.53Å; A121-V125 WeakPolarHBondContact O-CG2 3.27Å; A121-V125 PolarHBondContact O-N 3.19Å; T122-V125 PolarHBondContact O-N 3.18Å; T122-V125 VanDerWaalsContact O-N 3.17Å; E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 PolarHBondContact O-N 2.66Å; V125-Q127 VanDerWaalsContact C-N 3.33Å; V125-E128 PolarHBondContact O-N 2.78Å; V125-F129 HydrophobicContact CG1-CD2 4.34Å; V125-F129 PolarHBondContact O-N 2.87Å; V125-I132 HydrophobicContact CB-CD1 4.21Å; V125-I132 HydrophobicContact CB-CG1 4.25Å; V125-I132 HydrophobicContact CG1-CD1 4Å; V125-I132 HydrophobicContact CG1-CG1 3.52Å
126L98.8Very high98.6Very high35 Ų3544.8 Ų44.818%0.18326%0.261CS..Hα-helixtrans-66.2-36.1177.9-65.7176.9000111.8T122 E123 G130 I132 H176T122-L126 HydrophobicContact CG2-CD1 4.25Å; T122-L126 WeakPolarHBondContact O-CG 3.3Å; T122-L126 PolarHBondContact O-N 2.97Å; T122-L126 VanDerWaalsContact O-N 3.07Å; E123-L126 PolarHBondContact O-N 3.08Å; E123-L126 VanDerWaalsContact O-N 3.12Å; L126-G130 WeakPolarHBondContact O-CA 3.4Å; L126-G130 PolarHBondContact O-N 2.86Å; L126-I132 HydrophobicContact CD2-CD1 4.02Å; L126-I132 HydrophobicContact CD2-CG1 3.99Å; L126-I132 HydrophobicContact CG-CD1 4.28Å; L126-H176 HydrophobicContact CD1-CB 4.48Å; L126-H176 WeakPolarHBondContact CD2-CE1 3.28Å; L126-H176 WeakPolarHBondContact CD2-NE2 3.22Å
127Q98.6Very high98.7Very high140 Ų14041.8 Ų41.865%0.65423%0.229SC*.Hα-helixtrans-66-41.6174.6-72.8174.6500112.2E123 A124 V125E123-Q127 HydrophobicContact CG-CG 4.39Å; E123-Q127 VanDerWaalsContact O-CG 3.31Å; E123-Q127 WeakPolarHBondContact O-CG 3.49Å; E123-Q127 PolarHBondContact O-N 3.27Å; E123-Q127 WeakPolarHBondContact OE1-CG 3.45Å; E123-Q127 PolarHBondContact OE1-NE2 2.87Å; A124-Q127 PolarHBondContact O-N 3.11Å; V125-Q127 VanDerWaalsContact C-N 3.33Å
128E98.5Very high98.7Very high108 Ų10841.3 Ų41.351%0.50522%0.224SC..Hα-helixtrans-72.8-47-178.2-173.564.6-159.200112.4L106 A124 V125L106-E128 HydrophobicContact CB-CG 4.49Å; L106-E128 HydrophobicContact CD1-CG 4.48Å; L106-E128 HydrophobicContact CD2-CB 4.05Å; L106-E128 HydrophobicContact CD2-CG 4.2Å; A124-E128 PolarHBondContact O-N 2.82Å; A124-E128 VanDerWaalsContact O-N 3.12Å; V125-E128 PolarHBondContact O-N 2.78Å
129F98.6Very high98.5Very high37 Ų3741.7 Ų41.716%0.16223%0.228CC..Hα-helixtrans-114.9-4.6-169.6-63.2-56.5000114.5V52 V78 K103 L106 V125 R131V52-F129 HydrophobicContact CB-CB 4.47Å; V52-F129 HydrophobicContact CG1-CB 3.84Å; V52-F129 HydrophobicContact CG1-CD2 3.75Å; V52-F129 HydrophobicContact CG1-CG 3.97Å; V52-F129 HydrophobicContact CG2-CB 3.79Å; V52-F129 HydrophobicContact CG2-CG 4.36Å; V78-F129 HydrophobicContact CG2-CD2 3.88Å; V78-F129 HydrophobicContact CG2-CE2 3.66Å; K103-F129 WeakPolarHBondContact O-CE1 3.29Å; L106-F129 HydrophobicContact CB-CE2 3.62Å; L106-F129 HydrophobicContact CB-CZ 3.93Å; L106-F129 HydrophobicContact CD2-CE2 4.35Å; V125-F129 HydrophobicContact CG1-CD2 4.34Å; V125-F129 PolarHBondContact O-N 2.87Å; F129-R131 PolarHBondContact O-N 2.95Å
130G98.3Very high98.2Very high55 Ų5536.1 Ų36.157%0.56721%0.212SC*.SBendtrans71.9-12.9-177.800000114.7L126L126-G130 WeakPolarHBondContact O-CA 3.4Å; L126-G130 PolarHBondContact O-N 2.86Å
131R98.3Very high97.9Very high98 Ų9833.9 Ų33.937%0.3719%0.191SC..  trans-158.5161.4-17670.2-175.5-172.8-153.8-3.7113.6D50 V52 F129 D133 H176D50-R131 PolarHBondContact O-NH2 3.35Å; V52-R131 HydrophobicContact CB-CG 4.26Å; V52-R131 WeakPolarHBondContact CB-O 3.39Å; V52-R131 VanDerWaalsContact CG1-O 3.24Å; V52-R131 WeakPolarHBondContact CG1-O 3.33Å; V52-R131 HydrophobicContact CG2-CG 3.59Å; F129-R131 PolarHBondContact O-N 2.95Å; R131-D133 WeakPolarHBondContact CD-OD2 3.48Å; R131-D133 IonicContact CZ-OD2 3.48Å; R131-D133 IonicContact NE-OD1 2.76Å; R131-D133 IonicContact NE-OD2 3.64Å; R131-D133 PolarHBondContact NE-OD2 2.84Å; R131-D133 IonicContact NH2-OD2 2.68Å; R131-H176 WeakPolarHBondContact CA-NE2 3.34Å
132I98.8Very high97.5Very high0 Ų033.9 Ų33.90%019%0.19CC..  trans-125.1110.4166.8-59.9162.7000106.6W54 T122 V125 L126 V173 H176 M177 R180W54-I132 HydrophobicContact CE3-CD1 3.91Å; W54-I132 HydrophobicContact CZ3-CD1 4.02Å; T122-I132 HydrophobicContact CG2-CD1 3.94Å; V125-I132 HydrophobicContact CB-CD1 4.21Å; V125-I132 HydrophobicContact CB-CG1 4.25Å; V125-I132 HydrophobicContact CG1-CD1 4Å; V125-I132 HydrophobicContact CG1-CG1 3.52Å; L126-I132 HydrophobicContact CD2-CD1 4.02Å; L126-I132 HydrophobicContact CD2-CG1 3.99Å; L126-I132 HydrophobicContact CG-CD1 4.28Å; I132-V173 HydrophobicContact CB-CG1 4.36Å; I132-V173 HydrophobicContact CD1-CG1 4.12Å; I132-V173 HydrophobicContact CD1-CG2 4.06Å; I132-V173 HydrophobicContact CG2-CG1 3.98Å; I132-H176 PolarHBondContact N-NE2 3.46Å; I132-M177 HydrophobicContact CG2-CE 4.16Å; I132-R180 PolarHBondContact O-NH1 3.08Å
133D98.9Very high97.2Very high6 Ų633.5 Ų33.53%0.03219%0.188CC..SBendtrans-88-38.6179.6-63.1-50.7000111.1M51 V52 R131 R180 G183 K184M51-D133 WeakPolarHBondContact CA-OD2 3.05Å; M51-D133 HydrophobicContact CB-CB 4.04Å; M51-D133 HydrophobicContact CG-CB 4.42Å; M51-D133 HydrophobicContact SD-CB 3.6Å; M51-D133 VanDerWaalsContact SD-CB 3.6Å; V52-D133 PolarHBondContact N-OD2 3.11Å; V52-D133 PolarHBondContact O-N 2.9Å; R131-D133 WeakPolarHBondContact CD-OD2 3.48Å; R131-D133 IonicContact CZ-OD2 3.48Å; R131-D133 IonicContact NE-OD1 2.76Å; R131-D133 IonicContact NE-OD2 3.64Å; R131-D133 PolarHBondContact NE-OD2 2.84Å; R131-D133 IonicContact NH2-OD2 2.68Å; D133-R180 IonicContact OD1-CZ 2.91Å; D133-R180 IonicContact OD1-NH1 3.58Å; D133-R180 PolarHBondContact OD1-NH1 3.29Å; D133-R180 IonicContact OD1-NH2 2.7Å; D133-R180 PolarHBondContact OD1-NH2 3.35Å; D133-G183 CarbonylContact O-C 2.9Å; D133-G183 WeakPolarHBondContact O-CA 3.45Å; D133-K184 PolarHBondContact O-N 2.79Å
134I98.9Very high96.7Very high0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-134.8121.2-179.2-50.2-174.5000110.1L48 V52 V53 W54 V136 K184 V186 M277L48-I134 HydrophobicContact CD2-CD1 3.8Å; V52-I134 PolarHBondContact O-N 3.39Å; V53-I134 WeakPolarHBondContact CA-O 3.35Å; V53-I134 HydrophobicContact CB-CB 4.44Å; V53-I134 HydrophobicContact CG1-CB 4.09Å; V53-I134 HydrophobicContact CG1-CG2 4.23Å; V53-I134 HydrophobicContact CG2-CB 4.17Å; V53-I134 HydrophobicContact CG2-CD1 4.11Å; V53-I134 HydrophobicContact CG2-CG1 4.32Å; W54-I134 PolarHBondContact N-O 3.13Å; I134-V136 HydrophobicContact CG2-CG2 3.82Å; I134-K184 CarbonylContact C-O 3.53Å; I134-K184 VanDerWaalsContact CA-O 3.29Å; I134-K184 WeakPolarHBondContact CA-O 3.36Å; I134-K184 HydrophobicContact CB-CB 4.44Å; I134-K184 HydrophobicContact CD1-CD 4.16Å; I134-K184 HydrophobicContact CG1-CB 4.09Å; I134-K184 HydrophobicContact CG1-CD 4.24Å; I134-K184 HydrophobicContact CG1-CG 4.28Å; I134-K184 HydrophobicContact CG2-CB 4.21Å; I134-V186 HydrophobicContact CG2-CG2 3.84Å; I134-M277 HydrophobicContact CD1-CE 3.88Å; I134-M277 HydrophobicContact CG2-CE 4.05Å
135L98.9Very high96.2Very high0 Ų028.9 Ų28.90%016%0.16CC..EExtended strand (participates in β ladder)trans-97.5115165.3175.664.5000109.2W54 L169 V173 M177 K184 V186W54-L135 HydrophobicContact CB-CD1 4.29Å; W54-L135 HydrophobicContact CD2-CD1 4.1Å; W54-L135 HydrophobicContact CE3-CD1 4.08Å; W54-L135 HydrophobicContact CG-CD1 4.2Å; L135-L169 HydrophobicContact CD1-CD2 4Å; L135-L169 HydrophobicContact CD1-CG 4.45Å; L135-L169 HydrophobicContact CD2-CG 4.47Å; L135-V173 HydrophobicContact CB-CG1 4.39Å; L135-V173 HydrophobicContact CD2-CB 4.12Å; L135-V173 HydrophobicContact CD2-CG1 4.36Å; L135-V173 HydrophobicContact CD2-CG2 4.05Å; L135-M177 HydrophobicContact CB-CE 4.32Å; L135-K184 PolarHBondContact N-O 3.11Å; L135-V186 PolarHBondContact O-N 3.31Å
136V98.9Very high95.8Very high0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-99.8100.5173.8-171.90000110V53 W54 V55 T56 L66 I134 N138 V186 V188 M277V53-V136 HydrophobicContact CG1-CG2 3.89Å; W54-V136 PolarHBondContact O-N 3.18Å; V55-V136 HydrophobicContact CG1-CB 4.47Å; V55-V136 HydrophobicContact CG2-CB 4.26Å; V55-V136 HydrophobicContact CG2-CG2 4.31Å; T56-V136 PolarHBondContact N-O 3.38Å; T56-V136 PolarHBondContact OG1-O 3.09Å; L66-V136 HydrophobicContact CD2-CB 4.37Å; L66-V136 HydrophobicContact CD2-CG1 3.74Å; L66-V136 HydrophobicContact CD2-CG2 4.25Å; I134-V136 HydrophobicContact CG2-CG2 3.82Å; V136-N138 HydrophobicContact CG1-CB 4.2Å; V136-N138 PolarHBondContact O-N 2.95Å; V136-N138 VanDerWaalsContact O-N 3.13Å; V136-V186 CarbonylContact C-O 3.54Å; V136-V186 VanDerWaalsContact CA-O 3.29Å; V136-V186 WeakPolarHBondContact CA-O 3.35Å; V136-V186 HydrophobicContact CG1-CG1 4.45Å; V136-V186 HydrophobicContact CG2-CB 4.29Å; V136-V188 HydrophobicContact CG1-CG2 4.25Å; V136-M277 HydrophobicContact CG2-CE 4.37Å
137N98.8Very high95.5Very high3 Ų332.8 Ų32.82%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-7989.4173.7-72.3-48.4000110.3T166 T170 V186 T187 V188N137-T166 HydrophobicContact CB-CG2 3.59Å; N137-T166 VanDerWaalsContact CG-CG2 3.46Å; N137-T170 PolarHBondContact ND2-OG1 3.29Å; N137-T170 VanDerWaalsContact ND2-OG1 3.11Å; N137-V186 PolarHBondContact N-O 3.05Å; N137-T187 HydrophobicContact CB-CG2 4.29Å; N137-V188 PolarHBondContact O-N 3.37Å
138N98.3Very high95.3Very high23 Ų2334.4 Ų34.412%0.12320%0.196CC..  trans-114.8-18.5-178.7161.588.9000114.1T56 G57 G63 V136 G140 V188T56-N138 CarbonylContact O-C 3.34Å; T56-N138 WeakPolarHBondContact O-CB 3.37Å; T56-N138 PolarHBondContact O-ND2 2.79Å; T56-N138 PolarHBondContact OG1-N 2.91Å; G57-N138 PolarHBondContact O-ND2 2.95Å; G63-N138 WeakPolarHBondContact CA-ND2 2.96Å; V136-N138 HydrophobicContact CG1-CB 4.2Å; V136-N138 PolarHBondContact O-N 2.95Å; V136-N138 VanDerWaalsContact O-N 3.13Å; N138-G140 PolarHBondContact O-N 2.77Å; N138-V188 HydrophobicContact CB-CB 4.08Å; N138-V188 HydrophobicContact CB-CG2 3.7Å
139G94.1Very high94.9Very high8 Ų834.2 Ų34.28%0.08220%0.198CC..  trans-58.4135178.300000113.4T56T56-G139 PolarHBondContact O-N 2.86Å; T56-G139 PolarHBondContact OG1-N 2.8Å; T56-G139 VanDerWaalsContact OG1-N 3.12Å
140G93.2Very high94.6Very high37 Ų3733.1 Ų33.138%0.38120%0.195SC..  trans172172.2175.200000113.5N138 N162N138-G140 PolarHBondContact O-N 2.77Å; G140-N162 WeakPolarHBondContact CA-OD1 3.29Å
141I92.2Very high94.4Very high21 Ų2132.4 Ų32.411%0.10818%0.181CC..  trans-128.7162.1175.165.3-172.7000110.7K157 L158 L161 N162 Y203 L246I141-K157 HydrophobicContact CD1-CD 4.43Å; I141-K157 HydrophobicContact CD1-CG 4.16Å; I141-L158 HydrophobicContact CD1-CD2 4.38Å; I141-L158 HydrophobicContact CG1-CD2 3.75Å; I141-L161 HydrophobicContact CB-CD2 4.21Å; I141-L161 HydrophobicContact CD1-CD2 3.82Å; I141-L161 HydrophobicContact CG1-CD2 3.85Å; I141-L161 HydrophobicContact CG2-CD2 3.62Å; I141-N162 PolarHBondContact N-OD1 3.15Å; I141-N162 PolarHBondContact O-ND2 3.05Å; I141-N162 PolarHBondContact O-OD1 3.38Å; I141-Y203 VanDerWaalsContact O-CD2 3.24Å; I141-Y203 WeakPolarHBondContact O-CD2 3.22Å; I141-Y203 WeakPolarHBondContact O-CE2 3.4Å; I141-L246 HydrophobicContact CD1-CD1 3.57Å; I141-L246 HydrophobicContact CD1-CD2 4.4Å; I141-L246 HydrophobicContact CD1-CG 3.92Å
142S91.4Very high94.4Very high8 Ų833.1 Ų33.16%0.05619%0.191CC..  trans-112.3178.2175.4-171.60000111.4S245 L246S142-S245 WeakPolarHBondContact CB-OG 3.32Å; S142-S245 WeakPolarHBondContact O-CA 3.36Å; S142-L246 PolarHBondContact O-N 2.82Å
143Q91.1Very high94.3Very high0 Ų037.2 Ų37.20%021%0.213CC..BIsolated β-bridgetrans-141.5137-178.2174.3-91.3-44.800110.4S145 T150 V154 L158 L199 S200 G202 L246Q143-S145 PolarHBondContact NE2-O 3.1Å; Q143-S145 PolarHBondContact NE2-OG 2.75Å; Q143-T150 HydrophobicContact CG-CG2 4.43Å; Q143-V154 HydrophobicContact CB-CG1 4.49Å; Q143-V154 HydrophobicContact CG-CG1 3.79Å; Q143-L158 HydrophobicContact CB-CD1 3.69Å; Q143-L158 HydrophobicContact CB-CD2 4.35Å; Q143-L158 HydrophobicContact CG-CD1 4.1Å; Q143-L199 CarbonylContact C-O 3.56Å; Q143-L199 PolarHBondContact NE2-O 2.92Å; Q143-S200 PolarHBondContact O-OG 3.47Å; Q143-S200 VanDerWaalsContact OE1-CA 3.24Å; Q143-G202 VanDerWaalsContact OE1-N 3.14Å; Q143-L246 CarbonylContact C-O 3.57Å; Q143-L246 WeakPolarHBondContact CA-O 3.43Å
144R88.8Confident94Very high21 Ų2137 Ų378%0.07921%0.212CC..  trans-138.483.3-177.1-72.6-64.2-178.1155.33.6111.1L199 L246 I254 F320 D327R144-L199 CarbonylContact C-O 3.59Å; R144-L199 WeakPolarHBondContact CA-O 3.34Å; R144-L246 PolarHBondContact N-O 3.43Å; R144-I254 HydrophobicContact CB-CD1 4.06Å; R144-I254 HydrophobicContact CB-CG1 3.84Å; R144-F320 HydrophobicContact CB-CE2 4.48Å; R144-D327 IonicContact CZ-OD2 3.53Å; R144-D327 IonicContact NH1-OD1 3.82Å; R144-D327 IonicContact NH1-OD2 3.47Å; R144-D327 IonicContact NH2-OD1 3.72Å; R144-D327 IonicContact NH2-OD2 3.51Å; R144-D327 PolarHBondContact NH2-OD2 2.78Å
145S89.1Confident93.9Very high7 Ų739.2 Ų39.25%0.04922%0.221CC..SBendtrans-164.6154.2175.245.80000110.4Q143 T150 L199 A247Q143-S145 PolarHBondContact NE2-O 3.1Å; Q143-S145 PolarHBondContact NE2-OG 2.75Å; S145-T150 WeakPolarHBondContact CB-OG1 3.14Å; S145-T150 PolarHBondContact OG-OG1 3.49Å; S145-L199 PolarHBondContact N-O 2.97Å; S145-L199 CarbonylContact O-C 3.55Å; S145-L199 WeakPolarHBondContact O-CA 3.36Å; S145-A247 PolarHBondContact OG-O 3.42Å
146L90.2Very high93.8Very high43 Ų4345.5 Ų45.523%0.22524%0.244CC..  trans-68150.3174.6-67.5168.7000110.1M148 D149 T150 L199 I317L146-M148 PolarHBondContact O-N 3.41Å; L146-D149 WeakPolarHBondContact CB-OD2 3.47Å; L146-D149 CarbonylContact O-C 3.59Å; L146-D149 PolarHBondContact O-N 2.95Å; L146-T150 PolarHBondContact O-N 3.36Å; L146-T150 VanDerWaalsContact O-N 3.15Å; L146-T150 PolarHBondContact O-OG1 2.9Å; L146-L199 HydrophobicContact CD2-CD2 3.58Å; L146-L199 HydrophobicContact CG-CD2 3.75Å; L146-I317 HydrophobicContact CD2-CD1 4.24Å; L146-I317 HydrophobicContact CD2-CG1 4.17Å; L146-I317 HydrophobicContact CD2-CG2 4.29Å
147C92.2Very high93.7Very high73 Ų7348.8 Ų48.849%0.49326%0.259SS..G310 helixtrans-54.9-41.4-178.5-174.70000112.5D149 T150 T201C147-D149 PolarHBondContact O-N 2.95Å; C147-T150 PolarHBondContact O-N 3.43Å; C147-T201 HydrophobicContact CB-CG2 4.18Å
148M93.3Very high93.6Very high175 Ų17548.7 Ų48.786%0.86226%0.258SS*.G310 helixtrans-65.5-23.8179.1-65.8-55.6-59.300113.4L146L146-M148 PolarHBondContact O-N 3.41Å
149D91.1Very high93.6Very high104 Ų10450.3 Ų50.356%0.55627%0.266SS*.G310 helixtrans-103.71.7-175.6-52.8-35.6000112.2L146 C147 G248L146-D149 WeakPolarHBondContact CB-OD2 3.47Å; L146-D149 CarbonylContact O-C 3.59Å; L146-D149 PolarHBondContact O-N 2.95Å; C147-D149 PolarHBondContact O-N 2.95Å; D149-G248 WeakPolarHBondContact O-CA 3.45Å
150T92.1Very high93.8Very high14 Ų1454.5 Ų54.59%0.08628%0.284CS..  trans-104.5121.6-174.3-53.10000110.2Q143 S145 L146 C147 V154 Y155Q143-T150 HydrophobicContact CG-CG2 4.43Å; S145-T150 WeakPolarHBondContact CB-OG1 3.14Å; S145-T150 PolarHBondContact OG-OG1 3.49Å; L146-T150 PolarHBondContact O-N 3.36Å; L146-T150 VanDerWaalsContact O-N 3.15Å; L146-T150 PolarHBondContact O-OG1 2.9Å; C147-T150 PolarHBondContact O-N 3.43Å; T150-V154 HydrophobicContact CG2-CB 3.8Å; T150-V154 HydrophobicContact CG2-CG1 3.75Å; T150-V154 HydrophobicContact CG2-CG2 4.38Å; T150-Y155 WeakPolarHBondContact CB-OH 3.35Å; T150-Y155 HydrophobicContact CG2-CD1 4.34Å; T150-Y155 HydrophobicContact CG2-CE1 3.72Å; T150-Y155 HydrophobicContact CG2-CE2 4.18Å
151S94.9Very high93.9Very high39 Ų3953.4 Ų53.427%0.27327%0.269SS..  trans-69.3154.4178.180.70000112.2D153 V154 G248S151-D153 PolarHBondContact O-N 2.98Å; S151-V154 WeakPolarHBondContact O-CB 3.21Å; S151-V154 PolarHBondContact O-N 3.45Å; S151-G248 PolarHBondContact N-O 3.19Å
152L96.4Very high94.2Very high114 Ų11452.4 Ų52.460%0.59726%0.264SS*.Hα-helixtrans-61.5-28.7175.5-71.4-178.1000112.9V154 Y155 R156L152-V154 VanDerWaalsContact C-N 3.29Å; L152-V154 PolarHBondContact O-N 3.21Å; L152-Y155 HydrophobicContact CD2-CD2 3.81Å; L152-Y155 HydrophobicContact CD2-CE2 4.3Å; L152-Y155 WeakPolarHBondContact O-CB 3.22Å; L152-Y155 PolarHBondContact O-N 3.13Å; L152-Y155 VanDerWaalsContact O-N 3.08Å; L152-R156 PolarHBondContact O-N 3.01Å
153D96.5Very high94.6Very high86 Ų8654.6 Ų54.646%0.4627%0.271SS..Hα-helixtrans-66.4-32.3178.6-61.1-41.3000112.5S151 Y155 R156 K157 V250S151-D153 PolarHBondContact O-N 2.98Å; D153-Y155 VanDerWaalsContact C-N 3.31Å; D153-Y155 PolarHBondContact O-N 2.93Å; D153-R156 PolarHBondContact O-N 3.26Å; D153-R156 IonicContact OD1-CZ 3.21Å; D153-R156 IonicContact OD1-NH1 2.78Å; D153-R156 PolarHBondContact OD1-NH1 3.13Å; D153-K157 WeakPolarHBondContact O-CB 3.15Å; D153-K157 PolarHBondContact O-N 2.87Å; D153-V250 HydrophobicContact CB-CG2 3.87Å
154V94Very high94.9Very high0 Ų058.6 Ų58.60%029%0.292CS..Hα-helixtrans-61.7-42.9171172.30000110.1Q143 T150 S151 L152 L158 L246 V250Q143-V154 HydrophobicContact CB-CG1 4.49Å; Q143-V154 HydrophobicContact CG-CG1 3.79Å; T150-V154 HydrophobicContact CG2-CB 3.8Å; T150-V154 HydrophobicContact CG2-CG1 3.75Å; T150-V154 HydrophobicContact CG2-CG2 4.38Å; S151-V154 WeakPolarHBondContact O-CB 3.21Å; S151-V154 PolarHBondContact O-N 3.45Å; L152-V154 VanDerWaalsContact C-N 3.29Å; L152-V154 PolarHBondContact O-N 3.21Å; V154-L158 HydrophobicContact CG1-CD1 3.96Å; V154-L158 WeakPolarHBondContact O-CD1 3.33Å; V154-L158 VanDerWaalsContact O-CG 3.26Å; V154-L158 WeakPolarHBondContact O-CG 3.04Å; V154-L158 PolarHBondContact O-N 2.84Å; V154-L246 HydrophobicContact CG1-CB 3.99Å; V154-L246 HydrophobicContact CG1-CD1 3.91Å; V154-V250 HydrophobicContact CG2-CG2 3.91Å
155Y96.3Very high95.4Very high48 Ų4857.6 Ų57.619%0.18829%0.288CS..Hα-helixtrans-66.1-44.3176.7-58.9-47.2000112.5T150 L152 D153 K157 L158 I159 T201 G202T150-Y155 WeakPolarHBondContact CB-OH 3.35Å; T150-Y155 HydrophobicContact CG2-CD1 4.34Å; T150-Y155 HydrophobicContact CG2-CE1 3.72Å; T150-Y155 HydrophobicContact CG2-CE2 4.18Å; L152-Y155 HydrophobicContact CD2-CD2 3.81Å; L152-Y155 HydrophobicContact CD2-CE2 4.3Å; L152-Y155 WeakPolarHBondContact O-CB 3.22Å; L152-Y155 PolarHBondContact O-N 3.13Å; L152-Y155 VanDerWaalsContact O-N 3.08Å; D153-Y155 VanDerWaalsContact C-N 3.31Å; D153-Y155 PolarHBondContact O-N 2.93Å; Y155-K157 PolarHBondContact O-N 3.26Å; Y155-L158 HydrophobicContact CD1-CD1 4.47Å; Y155-L158 PolarHBondContact O-N 3.14Å; Y155-I159 WeakPolarHBondContact O-CG1 3.39Å; Y155-I159 PolarHBondContact O-N 2.71Å; Y155-T201 PolarHBondContact OH-OG1 2.92Å; Y155-G202 VanDerWaalsContact CE1-CA 3.43Å
156R97.6Very high95.8Very high132 Ų13257.3 Ų57.350%0.49829%0.286SS..Hα-helixtrans-56.3-50.6175.3-70.4179.5-175.5119.60.4110.9L152 D153 L158 I159 E160L152-R156 PolarHBondContact O-N 3.01Å; D153-R156 PolarHBondContact O-N 3.26Å; D153-R156 IonicContact OD1-CZ 3.21Å; D153-R156 IonicContact OD1-NH1 2.78Å; D153-R156 PolarHBondContact OD1-NH1 3.13Å; R156-L158 VanDerWaalsContact C-N 3.32Å; R156-L158 PolarHBondContact O-N 3.01Å; R156-I159 PolarHBondContact O-N 3.48Å; R156-I159 VanDerWaalsContact O-N 3.09Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 WeakPolarHBondContact O-CG 3.37Å; R156-E160 PolarHBondContact O-N 2.89Å
157K96.4Very high96.2Very high68 Ų6856.1 Ų56.130%0.29628%0.281SS..Hα-helixtrans-60.2-39.1179.1-173.9169.3-178.61740113.1I141 D153 Y155 L161 L246 V250I141-K157 HydrophobicContact CD1-CD 4.43Å; I141-K157 HydrophobicContact CD1-CG 4.16Å; D153-K157 WeakPolarHBondContact O-CB 3.15Å; D153-K157 PolarHBondContact O-N 2.87Å; Y155-K157 PolarHBondContact O-N 3.26Å; K157-L161 VanDerWaalsContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CB 3.12Å; K157-L161 PolarHBondContact O-N 3.08Å; K157-L246 HydrophobicContact CD-CD1 4.04Å; K157-L246 HydrophobicContact CG-CD1 4.4Å; K157-V250 HydrophobicContact CD-CG1 3.5Å; K157-V250 HydrophobicContact CD-CG2 4.43Å; K157-V250 VanDerWaalsContact NZ-CG1 3.27Å
158L96.3Very high96.5Very high1 Ų153.7 Ų53.71%0.00527%0.265CS..Hα-helixtrans-64-42.6175.1-74.7160.6000111.6I141 Q143 V154 Y155 R156 N162I141-L158 HydrophobicContact CD1-CD2 4.38Å; I141-L158 HydrophobicContact CG1-CD2 3.75Å; Q143-L158 HydrophobicContact CB-CD1 3.69Å; Q143-L158 HydrophobicContact CB-CD2 4.35Å; Q143-L158 HydrophobicContact CG-CD1 4.1Å; V154-L158 HydrophobicContact CG1-CD1 3.96Å; V154-L158 WeakPolarHBondContact O-CD1 3.33Å; V154-L158 VanDerWaalsContact O-CG 3.26Å; V154-L158 WeakPolarHBondContact O-CG 3.04Å; V154-L158 PolarHBondContact O-N 2.84Å; Y155-L158 HydrophobicContact CD1-CD1 4.47Å; Y155-L158 PolarHBondContact O-N 3.14Å; R156-L158 VanDerWaalsContact C-N 3.32Å; R156-L158 PolarHBondContact O-N 3.01Å; L158-N162 WeakPolarHBondContact O-CA 3.2Å; L158-N162 WeakPolarHBondContact O-CB 3.38Å; L158-N162 PolarHBondContact O-N 3.23Å
159I98.1Very high96.8Very high58 Ų5845.4 Ų45.430%0.29722%0.224SC..Hα-helixtrans-68.9-45.1177.9-66.9-63000111.1Y155 R156 L161 Y163 L164Y155-I159 WeakPolarHBondContact O-CG1 3.39Å; Y155-I159 PolarHBondContact O-N 2.71Å; R156-I159 PolarHBondContact O-N 3.48Å; R156-I159 VanDerWaalsContact O-N 3.09Å; I159-L161 PolarHBondContact O-N 3.49Å; I159-Y163 HydrophobicContact CG2-CD1 4.25Å; I159-Y163 CarbonylContact O-C 3.58Å; I159-Y163 WeakPolarHBondContact O-CA 3.44Å; I159-Y163 VanDerWaalsContact O-CB 3.26Å; I159-Y163 WeakPolarHBondContact O-CB 3.44Å; I159-Y163 PolarHBondContact O-N 2.85Å; I159-Y163 VanDerWaalsContact O-N 3.12Å; I159-L164 HydrophobicContact CG2-CD1 4.27Å; I159-L164 HydrophobicContact CG2-CG 4.21Å; I159-L164 PolarHBondContact O-N 2.84Å
160E98Very high97.2Very high96 Ų9640.5 Ų40.545%0.44920%0.198SC..Iπ-helixtrans-58.2-50.5177.4-74.2167.9-175.700111.1T113 R156 G165T113-E160 HydrophobicContact CG2-CB 4.47Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 WeakPolarHBondContact O-CG 3.37Å; R156-E160 PolarHBondContact O-N 2.89Å; E160-G165 PolarHBondContact O-N 2.93Å
161L97Very high97.5Very high13 Ų1346.5 Ų46.57%0.06822%0.223CC..Iπ-helixtrans-78.4-55.6-175.8179.459.5000113.3L112 T113 I141 K157 I159 Y163L112-L161 HydrophobicContact CB-CD1 3.66Å; L112-L161 HydrophobicContact CD1-CD1 4.28Å; T113-L161 HydrophobicContact CG2-CB 3.93Å; T113-L161 HydrophobicContact CG2-CD1 4.04Å; I141-L161 HydrophobicContact CB-CD2 4.21Å; I141-L161 HydrophobicContact CD1-CD2 3.82Å; I141-L161 HydrophobicContact CG1-CD2 3.85Å; I141-L161 HydrophobicContact CG2-CD2 3.62Å; K157-L161 VanDerWaalsContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CB 3.12Å; K157-L161 PolarHBondContact O-N 3.08Å; I159-L161 PolarHBondContact O-N 3.49Å; L161-Y163 VanDerWaalsContact C-N 3.33Å; L161-Y163 PolarHBondContact O-N 2.97Å
162N97.8Very high97.7Very high0 Ų046.5 Ų46.50%022%0.222CC..Iπ-helixtrans-76.9-22.3-171-63.1-10.2000112.7G140 I141 L158 S206 L210G140-N162 WeakPolarHBondContact CA-OD1 3.29Å; I141-N162 PolarHBondContact N-OD1 3.15Å; I141-N162 PolarHBondContact O-ND2 3.05Å; I141-N162 PolarHBondContact O-OD1 3.38Å; L158-N162 WeakPolarHBondContact O-CA 3.2Å; L158-N162 WeakPolarHBondContact O-CB 3.38Å; L158-N162 PolarHBondContact O-N 3.23Å; N162-S206 PolarHBondContact ND2-OG 3.02Å; N162-S206 VanDerWaalsContact ND2-OG 3.1Å; N162-L210 WeakPolarHBondContact O-CD1 3.49Å
163Y98.6Very high97.8Very high55 Ų5541 Ų4122%0.21619%0.194CC..Iπ-helixtrans-116-71.3-175177.6-112.7000112I159 L161 G165 T166 V167 A209 L210 F213I159-Y163 HydrophobicContact CG2-CD1 4.25Å; I159-Y163 CarbonylContact O-C 3.58Å; I159-Y163 WeakPolarHBondContact O-CA 3.44Å; I159-Y163 VanDerWaalsContact O-CB 3.26Å; I159-Y163 WeakPolarHBondContact O-CB 3.44Å; I159-Y163 PolarHBondContact O-N 2.85Å; I159-Y163 VanDerWaalsContact O-N 3.12Å; L161-Y163 VanDerWaalsContact C-N 3.33Å; L161-Y163 PolarHBondContact O-N 2.97Å; Y163-G165 PolarHBondContact O-N 3.27Å; Y163-T166 PolarHBondContact O-N 3.17Å; Y163-T166 VanDerWaalsContact O-N 3.15Å; Y163-V167 HydrophobicContact CD2-CG2 3.98Å; Y163-V167 HydrophobicContact CE2-CG2 3.67Å; Y163-V167 WeakPolarHBondContact O-CG2 3.25Å; Y163-V167 PolarHBondContact O-N 2.77Å; Y163-A209 HydrophobicContact CD2-CB 4.02Å; Y163-A209 HydrophobicContact CE2-CB 4.18Å; Y163-A209 WeakPolarHBondContact CE2-O 3.37Å; Y163-A209 HydrophobicContact CG-CB 4.23Å; Y163-L210 HydrophobicContact CD2-CB 4.31Å; Y163-L210 HydrophobicContact CD2-CD1 4.15Å; Y163-F213 HydrophobicContact CE2-CB 3.65Å; Y163-F213 HydrophobicContact CE2-CG 4.16Å
164L98.6Very high97.9Very high83 Ų8338.1 Ų38.144%0.43518%0.178SC..Iπ-helixtrans-62.6-40.5-171.3-65.7178000112.8I159 T166 V167 S168I159-L164 HydrophobicContact CG2-CD1 4.27Å; I159-L164 HydrophobicContact CG2-CG 4.21Å; I159-L164 PolarHBondContact O-N 2.84Å; L164-T166 PolarHBondContact O-N 3.18Å; L164-V167 PolarHBondContact O-N 2.95Å; L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.48Å; L164-S168 PolarHBondContact O-N 3.28Å
165G98.5Very high98.1Very high0 Ų041.8 Ų41.80%020%0.201CC..Iπ-helixtrans-60.3-44.5175.600000112.9L112 H118 E160 Y163 S168 L169L112-G165 WeakPolarHBondContact O-CA 3.31Å; H118-G165 PolarHBondContact CE1-O 3.43Å; H118-G165 VanDerWaalsContact CE1-O 3.26Å; E160-G165 PolarHBondContact O-N 2.93Å; Y163-G165 PolarHBondContact O-N 3.27Å; G165-S168 PolarHBondContact O-N 2.85Å; G165-L169 PolarHBondContact O-N 3.32Å
166T98.5Very high98.2Very high2 Ų240.7 Ų40.71%0.01220%0.198CC..Hα-helixtrans-65.8-42.5176.9-660000112.1N137 Y163 L164 T170 L210 F214N137-T166 HydrophobicContact CB-CG2 3.59Å; N137-T166 VanDerWaalsContact CG-CG2 3.46Å; Y163-T166 PolarHBondContact O-N 3.17Å; Y163-T166 VanDerWaalsContact O-N 3.15Å; L164-T166 PolarHBondContact O-N 3.18Å; T166-T170 WeakPolarHBondContact O-CB 3.45Å; T166-T170 PolarHBondContact O-N 3.08Å; T166-T170 PolarHBondContact O-OG1 3.19Å; T166-L210 HydrophobicContact CG2-CD1 3.77Å; T166-F214 HydrophobicContact CG2-CE2 3.78Å; T166-F214 HydrophobicContact CG2-CZ 3.87Å
167V98.8Very high98.3Very high17 Ų1734.4 Ų34.410%0.10317%0.174CC..Hα-helixtrans-61.4-47.2175.5168.20000110.4Y163 L164 T170 K171 F213Y163-V167 HydrophobicContact CD2-CG2 3.98Å; Y163-V167 HydrophobicContact CE2-CG2 3.67Å; Y163-V167 WeakPolarHBondContact O-CG2 3.25Å; Y163-V167 PolarHBondContact O-N 2.77Å; L164-V167 PolarHBondContact O-N 2.95Å; V167-T170 PolarHBondContact O-N 2.88Å; V167-K171 HydrophobicContact CG1-CD 4.05Å; V167-K171 HydrophobicContact CG1-CG 4.5Å; V167-K171 WeakPolarHBondContact O-CG 3.33Å; V167-K171 PolarHBondContact O-N 3.17Å; V167-F213 HydrophobicContact CB-CE1 4.4Å; V167-F213 HydrophobicContact CB-CE2 4.45Å; V167-F213 HydrophobicContact CB-CZ 4.23Å; V167-F213 HydrophobicContact CG1-CD2 4.38Å; V167-F213 HydrophobicContact CG1-CE1 4.28Å; V167-F213 HydrophobicContact CG1-CE2 3.68Å; V167-F213 HydrophobicContact CG1-CZ 3.63Å; V167-F213 HydrophobicContact CG2-CD1 3.77Å; V167-F213 HydrophobicContact CG2-CD2 3.91Å; V167-F213 HydrophobicContact CG2-CE1 3.82Å; V167-F213 HydrophobicContact CG2-CE2 3.96Å; V167-F213 HydrophobicContact CG2-CG 3.82Å; V167-F213 HydrophobicContact CG2-CZ 3.93Å
168S98.8Very high98.4Very high23 Ų2333.5 Ų33.516%0.16117%0.172CC..Hα-helixtrans-59.7-50.4-179.9169.90000111.5T115 H118 L164 G165 T170 K171 C172T115-S168 WeakPolarHBondContact CB-OG 3.24Å; H118-S168 WeakPolarHBondContact ND1-CB 3.31Å; H118-S168 PolarHBondContact ND1-OG 3.05Å; L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.48Å; L164-S168 PolarHBondContact O-N 3.28Å; G165-S168 PolarHBondContact O-N 2.85Å; S168-T170 VanDerWaalsContact C-N 3.31Å; S168-T170 PolarHBondContact O-N 3.44Å; S168-K171 WeakPolarHBondContact O-CB 3.31Å; S168-K171 PolarHBondContact O-N 3.49Å; S168-K171 VanDerWaalsContact O-N 3.09Å; S168-C172 PolarHBondContact O-N 2.94Å; S168-C172 PolarHBondContact O-SG 3.25Å
169L98.9Very high98.5Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-61.1-41.4178.2-176.563.5000112W54 T56 L110 L112 H118 L135 G165 K171 C172 V173W54-L169 HydrophobicContact CH2-CD1 3.62Å; W54-L169 HydrophobicContact CZ2-CD1 4.12Å; W54-L169 HydrophobicContact CZ3-CD1 4.06Å; T56-L169 HydrophobicContact CG2-CD2 3.48Å; T56-L169 VanDerWaalsContact CG2-CD2 3.48Å; L110-L169 HydrophobicContact CD2-CD1 4.42Å; L110-L169 HydrophobicContact CD2-CD2 4.03Å; L112-L169 HydrophobicContact CD2-CD2 4.05Å; H118-L169 HydrophobicContact CB-CD1 4.12Å; H118-L169 PolarHBondContact ND1-N 3.04Å; L135-L169 HydrophobicContact CD1-CD2 4Å; L135-L169 HydrophobicContact CD1-CG 4.45Å; L135-L169 HydrophobicContact CD2-CG 4.47Å; G165-L169 PolarHBondContact O-N 3.32Å; L169-K171 VanDerWaalsContact C-N 3.29Å; L169-K171 PolarHBondContact O-N 3.47Å; L169-C172 PolarHBondContact O-N 2.93Å; L169-C172 VanDerWaalsContact O-N 3.13Å; L169-V173 PolarHBondContact O-N 2.99Å; L169-V173 VanDerWaalsContact O-N 3.11Å
170T98.8Very high98.5Very high1 Ų141.7 Ų41.71%0.00621%0.206CC..Hα-helixtrans-59.6-40.8175.6-58.80000111.4N137 T166 V167 S168 C172 V173 L174 I185 F214 L217N137-T170 PolarHBondContact ND2-OG1 3.29Å; N137-T170 VanDerWaalsContact ND2-OG1 3.11Å; T166-T170 WeakPolarHBondContact O-CB 3.45Å; T166-T170 PolarHBondContact O-N 3.08Å; T166-T170 PolarHBondContact O-OG1 3.19Å; V167-T170 PolarHBondContact O-N 2.88Å; S168-T170 VanDerWaalsContact C-N 3.31Å; S168-T170 PolarHBondContact O-N 3.44Å; T170-C172 VanDerWaalsContact C-N 3.28Å; T170-C172 PolarHBondContact O-N 3.15Å; T170-V173 PolarHBondContact O-N 3.21Å; T170-L174 WeakPolarHBondContact O-CB 3.42Å; T170-L174 PolarHBondContact O-N 2.78Å; T170-I185 HydrophobicContact CG2-CD1 3.85Å; T170-I185 HydrophobicContact CG2-CG2 4.3Å; T170-F214 HydrophobicContact CG2-CE1 3.96Å; T170-F214 HydrophobicContact CG2-CZ 4.4Å; T170-L217 HydrophobicContact CG2-CD2 3.95Å
171K98.8Very high98.5Very high141 Ų14144.4 Ų44.461%0.61322%0.216SC*.Hα-helixtrans-64.6-30177.3-72.4172.669.275.20112.9V167 S168 L169 P175V167-K171 HydrophobicContact CG1-CD 4.05Å; V167-K171 HydrophobicContact CG1-CG 4.5Å; V167-K171 WeakPolarHBondContact O-CG 3.33Å; V167-K171 PolarHBondContact O-N 3.17Å; S168-K171 WeakPolarHBondContact O-CB 3.31Å; S168-K171 PolarHBondContact O-N 3.49Å; S168-K171 VanDerWaalsContact O-N 3.09Å; L169-K171 VanDerWaalsContact C-N 3.29Å; L169-K171 PolarHBondContact O-N 3.47Å; K171-P175 WeakPolarHBondContact O-CD 3.21Å
172C98.9Very high98.6Very high38 Ų3848.8 Ų48.826%0.25724%0.237SC..Hα-helixtrans-74-38.9174.7-62.10000112.1T122 S168 L169 T170T122-C172 WeakPolarHBondContact OG1-CB 3.47Å; S168-C172 PolarHBondContact O-N 2.94Å; S168-C172 PolarHBondContact O-SG 3.25Å; L169-C172 PolarHBondContact O-N 2.93Å; L169-C172 VanDerWaalsContact O-N 3.13Å; T170-C172 VanDerWaalsContact C-N 3.28Å; T170-C172 PolarHBondContact O-N 3.15Å
173V98.9Very high98.6Very high0 Ų049 Ų490%024%0.238CC..Hα-helixtrans-80.2-32.6-177.81750000113W54 T122 I132 L135 L169 T170 H176 M177W54-V173 HydrophobicContact CE3-CG2 4.11Å; W54-V173 HydrophobicContact CZ3-CG2 3.77Å; T122-V173 HydrophobicContact CG2-CG2 3.96Å; I132-V173 HydrophobicContact CB-CG1 4.36Å; I132-V173 HydrophobicContact CD1-CG1 4.12Å; I132-V173 HydrophobicContact CD1-CG2 4.06Å; I132-V173 HydrophobicContact CG2-CG1 3.98Å; L135-V173 HydrophobicContact CB-CG1 4.39Å; L135-V173 HydrophobicContact CD2-CB 4.12Å; L135-V173 HydrophobicContact CD2-CG1 4.36Å; L135-V173 HydrophobicContact CD2-CG2 4.05Å; L169-V173 PolarHBondContact O-N 2.99Å; L169-V173 VanDerWaalsContact O-N 3.11Å; T170-V173 PolarHBondContact O-N 3.21Å; V173-H176 WeakPolarHBondContact O-CB 3.39Å; V173-H176 PolarHBondContact O-N 2.96Å; V173-M177 HydrophobicContact CG1-CE 3.74Å; V173-M177 HydrophobicContact CG1-CG 4.31Å; V173-M177 HydrophobicContact CG1-SD 4.19Å; V173-M177 PolarHBondContact O-N 3.29Å
174L98.8Very high98.6Very high24 Ų2447.7 Ų47.713%0.12623%0.234CC..Hα-helixtrans-59.6-41.2-171.8-179.564.1000114.8T170 H176 M177 I178 I185 L217 L221 I227T170-L174 WeakPolarHBondContact O-CB 3.42Å; T170-L174 PolarHBondContact O-N 2.78Å; L174-H176 VanDerWaalsContact C-N 3.3Å; L174-H176 PolarHBondContact O-N 3.33Å; L174-M177 PolarHBondContact O-N 2.95Å; L174-M177 VanDerWaalsContact O-N 3.11Å; L174-I178 HydrophobicContact CD1-CD1 4.14Å; L174-I178 HydrophobicContact CD1-CG1 4.12Å; L174-I178 HydrophobicContact CD2-CD1 4.31Å; L174-I178 HydrophobicContact CG-CD1 3.81Å; L174-I178 HydrophobicContact CG-CG1 4.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.39Å; L174-I178 PolarHBondContact O-N 3.5Å; L174-I185 HydrophobicContact CD1-CD1 4.1Å; L174-L217 HydrophobicContact CD2-CD1 3.88Å; L174-L221 HydrophobicContact CD1-CD1 3.92Å; L174-L221 HydrophobicContact CD1-CD2 4Å; L174-L221 HydrophobicContact CD2-CD2 4.39Å; L174-I227 HydrophobicContact CD1-CD1 4.48Å
175P98.7Very high98.6Very high77 Ų7743.8 Ų43.850%0.521%0.213SC..Hα-helixtrans-54.6-43.8176.9-2836.1000113.2K171 M177 I178 E179K171-P175 WeakPolarHBondContact O-CD 3.21Å; P175-M177 PolarHBondContact O-N 3.37Å; P175-I178 PolarHBondContact O-N 3.43Å; P175-E179 PolarHBondContact O-N 3.17Å
176H98.4Very high98.6Very high26 Ų2643.8 Ų43.812%0.1221%0.214CC..Hα-helixtrans-60.5-43.1175.8175.672.2000112.4L126 R131 I132 V173 L174 R180L126-H176 HydrophobicContact CD1-CB 4.48Å; L126-H176 WeakPolarHBondContact CD2-CE1 3.28Å; L126-H176 WeakPolarHBondContact CD2-NE2 3.22Å; R131-H176 WeakPolarHBondContact CA-NE2 3.34Å; I132-H176 PolarHBondContact N-NE2 3.46Å; V173-H176 WeakPolarHBondContact O-CB 3.39Å; V173-H176 PolarHBondContact O-N 2.96Å; L174-H176 VanDerWaalsContact C-N 3.3Å; L174-H176 PolarHBondContact O-N 3.33Å; H176-R180 WeakPolarHBondContact CE1-CD 3.38Å; H176-R180 WeakPolarHBondContact NE2-CD 3.49Å; H176-R180 PolarHBondContact NE2-NH1 3.21Å; H176-R180 WeakPolarHBondContact O-CB 3.4Å; H176-R180 WeakPolarHBondContact O-CG 3.3Å; H176-R180 PolarHBondContact O-N 3.32Å; H176-R180 VanDerWaalsContact O-N 3.12Å
177M98.8Very high98.6Very high0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-66.4-37.2176.6-68-176.7169.700112.2I132 L135 V173 L174 P175 K181 Q182 I185 I227I132-M177 HydrophobicContact CG2-CE 4.16Å; L135-M177 HydrophobicContact CB-CE 4.32Å; V173-M177 HydrophobicContact CG1-CE 3.74Å; V173-M177 HydrophobicContact CG1-CG 4.31Å; V173-M177 HydrophobicContact CG1-SD 4.19Å; V173-M177 PolarHBondContact O-N 3.29Å; L174-M177 PolarHBondContact O-N 2.95Å; L174-M177 VanDerWaalsContact O-N 3.11Å; P175-M177 PolarHBondContact O-N 3.37Å; M177-K181 WeakPolarHBondContact O-CA 3.35Å; M177-K181 PolarHBondContact O-N 3.32Å; M177-Q182 PolarHBondContact O-N 2.9Å; M177-Q182 VanDerWaalsContact O-N 3.07Å; M177-I185 HydrophobicContact CE-CG1 4.39Å; M177-I185 HydrophobicContact SD-CD1 4.28Å; M177-I185 HydrophobicContact SD-CG1 3.85Å; M177-I227 HydrophobicContact CB-CD1 4.05Å; M177-I227 HydrophobicContact CB-CG1 4.39Å
178I98.6Very high98.6Very high49 Ų4943.3 Ų43.325%0.25121%0.21SC..Hα-helixtrans-64.7-48.2176-75.9174.3000111.1L174 P175 R180 K181 L221 Y224 I227L174-I178 HydrophobicContact CD1-CD1 4.14Å; L174-I178 HydrophobicContact CD1-CG1 4.12Å; L174-I178 HydrophobicContact CD2-CD1 4.31Å; L174-I178 HydrophobicContact CG-CD1 3.81Å; L174-I178 HydrophobicContact CG-CG1 4.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.39Å; L174-I178 PolarHBondContact O-N 3.5Å; P175-I178 PolarHBondContact O-N 3.43Å; I178-R180 VanDerWaalsContact C-N 3.29Å; I178-R180 PolarHBondContact O-N 3.5Å; I178-K181 PolarHBondContact O-N 3.21Å; I178-L221 HydrophobicContact CD1-CD2 4.16Å; I178-L221 HydrophobicContact CG1-CD2 4.4Å; I178-Y224 HydrophobicContact CD1-CE2 4.39Å; I178-Y224 HydrophobicContact CG1-CD2 4.44Å; I178-Y224 HydrophobicContact CG1-CE2 4.41Å; I178-Y224 HydrophobicContact CG2-CD1 4.29Å; I178-Y224 HydrophobicContact CG2-CE1 3.64Å; I178-Y224 HydrophobicContact CG2-CE2 4.48Å; I178-I227 HydrophobicContact CB-CD1 4.42Å; I178-I227 HydrophobicContact CG1-CD1 3.71Å
179E98.3Very high98.5Very high159 Ų15942.4 Ų42.474%0.74320%0.204SC*.Hα-helixtrans-57.8-44.6177.8-177.4176.2-177.200111.3P175 K181P175-E179 PolarHBondContact O-N 3.17Å; E179-K181 VanDerWaalsContact C-N 3.26Å; E179-K181 PolarHBondContact O-N 2.91Å
180R97.9Very high98.4Very high72 Ų7242.9 Ų42.927%0.27221%0.207SC..THydrogen-bonded Turntrans-75.8-10.6176.5-70.7176.256-145.10114.5I132 D133 H176 I178 Q182I132-R180 PolarHBondContact O-NH1 3.08Å; D133-R180 IonicContact OD1-CZ 2.91Å; D133-R180 IonicContact OD1-NH1 3.58Å; D133-R180 PolarHBondContact OD1-NH1 3.29Å; D133-R180 IonicContact OD1-NH2 2.7Å; D133-R180 PolarHBondContact OD1-NH2 3.35Å; H176-R180 WeakPolarHBondContact CE1-CD 3.38Å; H176-R180 WeakPolarHBondContact NE2-CD 3.49Å; H176-R180 PolarHBondContact NE2-NH1 3.21Å; H176-R180 WeakPolarHBondContact O-CB 3.4Å; H176-R180 WeakPolarHBondContact O-CG 3.3Å; H176-R180 PolarHBondContact O-N 3.32Å; H176-R180 VanDerWaalsContact O-N 3.12Å; I178-R180 VanDerWaalsContact C-N 3.29Å; I178-R180 PolarHBondContact O-N 3.5Å; R180-Q182 PolarHBondContact O-N 3.43Å; R180-Q182 VanDerWaalsContact O-N 3.11Å
181K98.3Very high98.2Very high152 Ų15243 Ų4366%0.66121%0.208SC*.THydrogen-bonded Turntrans5423.6-172.8-54.7177.5-177.7176.50113.6M177 I178 E179 G226M177-K181 WeakPolarHBondContact O-CA 3.35Å; M177-K181 PolarHBondContact O-N 3.32Å; I178-K181 PolarHBondContact O-N 3.21Å; E179-K181 VanDerWaalsContact C-N 3.26Å; E179-K181 PolarHBondContact O-N 2.91Å; K181-G226 WeakPolarHBondContact O-CA 3.34Å
182Q98.2Very high98.1Very high106 Ų10637.3 Ų37.350%0.49518%0.184SC..  trans-151.7136.4-174.6-170.8175.941.200110.6M177 R180 G226M177-Q182 PolarHBondContact O-N 2.9Å; M177-Q182 VanDerWaalsContact O-N 3.07Å; R180-Q182 PolarHBondContact O-N 3.43Å; R180-Q182 VanDerWaalsContact O-N 3.11Å; Q182-G226 WeakPolarHBondContact CA-O 3.39Å
183G98.5Very high97.9Very high3 Ų335.5 Ų35.53%0.03117%0.172CC..EExtended strand (participates in β ladder)trans167.8165171.700000112.5D133 G226 I227 I228D133-G183 CarbonylContact O-C 2.9Å; D133-G183 WeakPolarHBondContact O-CA 3.45Å; G183-G226 PolarHBondContact N-O 2.86Å; G183-G226 VanDerWaalsContact N-O 3.15Å; G183-I227 CarbonylContact O-C 3.45Å; G183-I227 VanDerWaalsContact O-CA 3.27Å; G183-I227 WeakPolarHBondContact O-CA 3.5Å; G183-I228 PolarHBondContact O-N 2.96Å
184K98.8Very high97.7Very high28 Ų2836.1 Ų36.112%0.12218%0.175CC..EExtended strand (participates in β ladder)trans-128.3126.5174.8-48.3-170.5-169.6-166.40110.2D133 I134 L135 V186 I228 M277 D280D133-K184 PolarHBondContact O-N 2.79Å; I134-K184 CarbonylContact C-O 3.53Å; I134-K184 VanDerWaalsContact CA-O 3.29Å; I134-K184 WeakPolarHBondContact CA-O 3.36Å; I134-K184 HydrophobicContact CB-CB 4.44Å; I134-K184 HydrophobicContact CD1-CD 4.16Å; I134-K184 HydrophobicContact CG1-CB 4.09Å; I134-K184 HydrophobicContact CG1-CD 4.24Å; I134-K184 HydrophobicContact CG1-CG 4.28Å; I134-K184 HydrophobicContact CG2-CB 4.21Å; L135-K184 PolarHBondContact N-O 3.11Å; K184-V186 HydrophobicContact CB-CG2 4.42Å; K184-I228 CarbonylContact C-O 3.55Å; K184-I228 WeakPolarHBondContact CA-O 3.4Å; K184-I228 HydrophobicContact CB-CB 4.48Å; K184-I228 HydrophobicContact CG-CB 4.24Å; K184-I228 HydrophobicContact CG-CG1 4.49Å; K184-M277 PolarHBondContact NZ-O 2.68Å; K184-D280 WeakPolarHBondContact CD-OD1 3.31Å; K184-D280 WeakPolarHBondContact CE-OD1 3.34Å; K184-D280 IonicContact NZ-OD1 3.25Å; K184-D280 PolarHBondContact NZ-OD1 3.11Å; K184-D280 IonicContact NZ-OD2 2.72Å
185I98.9Very high97.4Very high1 Ų135.3 Ų35.31%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-106.8110.8170.8-58.3161.5000107.4T170 L174 M177 F214 L217 I228 V229 S230T170-I185 HydrophobicContact CG2-CD1 3.85Å; T170-I185 HydrophobicContact CG2-CG2 4.3Å; L174-I185 HydrophobicContact CD1-CD1 4.1Å; M177-I185 HydrophobicContact CE-CG1 4.39Å; M177-I185 HydrophobicContact SD-CD1 4.28Å; M177-I185 HydrophobicContact SD-CG1 3.85Å; I185-F214 HydrophobicContact CG2-CD1 4.17Å; I185-F214 HydrophobicContact CG2-CE1 3.49Å; I185-F214 VanDerWaalsContact CG2-CE1 3.49Å; I185-F214 HydrophobicContact CG2-CZ 4.19Å; I185-L217 HydrophobicContact CD1-CD2 4.21Å; I185-I228 PolarHBondContact N-O 2.98Å; I185-V229 HydrophobicContact CD1-CG2 4.47Å; I185-V229 WeakPolarHBondContact O-CA 3.48Å; I185-S230 PolarHBondContact O-N 2.89Å
186V98.8Very high97Very high1 Ų134.2 Ų34.21%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-111.8112.9-176-1790000108.3I134 L135 V136 N137 K184 I232 M277I134-V186 HydrophobicContact CG2-CG2 3.84Å; L135-V186 PolarHBondContact O-N 3.31Å; V136-V186 CarbonylContact C-O 3.54Å; V136-V186 VanDerWaalsContact CA-O 3.29Å; V136-V186 WeakPolarHBondContact CA-O 3.35Å; V136-V186 HydrophobicContact CG1-CG1 4.45Å; V136-V186 HydrophobicContact CG2-CB 4.29Å; N137-V186 PolarHBondContact N-O 3.05Å; K184-V186 HydrophobicContact CB-CG2 4.42Å; V186-I232 HydrophobicContact CG1-CD1 3.36Å; V186-I232 HydrophobicContact CG1-CG1 3.94Å; V186-M277 HydrophobicContact CG1-CG 4.2Å; V186-M277 HydrophobicContact CG2-CG 4.02Å
187T98.6Very high96.5Very high0 Ų033.7 Ų33.70%017%0.165CC..EExtended strand (participates in β ladder)trans-107.8119.1-176.8-60.50000110.6N137 N189 L210 F214 S230 I232N137-T187 HydrophobicContact CB-CG2 4.29Å; T187-N189 PolarHBondContact O-N 2.9Å; T187-N189 VanDerWaalsContact O-N 3.1Å; T187-L210 HydrophobicContact CG2-CD1 4.26Å; T187-L210 HydrophobicContact CG2-CD2 3.62Å; T187-L210 HydrophobicContact CG2-CG 3.82Å; T187-F214 HydrophobicContact CG2-CD2 3.67Å; T187-F214 HydrophobicContact CG2-CE2 3.53Å; T187-F214 HydrophobicContact CG2-CZ 4.39Å; T187-F214 WeakPolarHBondContact OG1-CD2 3.43Å; T187-F214 WeakPolarHBondContact OG1-CE2 3.34Å; T187-F214 WeakPolarHBondContact OG1-CZ 3.19Å; T187-S230 PolarHBondContact N-O 3.2Å; T187-I232 PolarHBondContact O-N 3.12Å
188V98.1Very high96Very high8 Ų835.5 Ų35.55%0.04818%0.177CC..EExtended strand (participates in β ladder)trans-79.794.2172.1-172.60000108.8V136 N137 N138 K207 P234 M273V136-V188 HydrophobicContact CG1-CG2 4.25Å; N137-V188 PolarHBondContact O-N 3.37Å; N138-V188 HydrophobicContact CB-CB 4.08Å; N138-V188 HydrophobicContact CB-CG2 3.7Å; V188-K207 PolarHBondContact O-NZ 3.34Å; V188-P234 HydrophobicContact CG1-CG 4Å; V188-M273 HydrophobicContact CG2-CE 3.6Å
189N96.3Very high95.5Very high4 Ų433.3 Ų33.32%0.02117%0.166CC..  trans-85.2-138.7174.6-154.4-30.2000110T187 K207 R211 I232T187-N189 PolarHBondContact O-N 2.9Å; T187-N189 VanDerWaalsContact O-N 3.1Å; N189-K207 PolarHBondContact ND2-O 3.29Å; N189-K207 VanDerWaalsContact OD1-CB 3.3Å; N189-K207 WeakPolarHBondContact OD1-CB 3.2Å; N189-K207 WeakPolarHBondContact OD1-CD 3.49Å; N189-K207 PolarHBondContact OD1-O 3.34Å; N189-R211 VanDerWaalsContact ND2-CA 3.32Å; N189-R211 WeakPolarHBondContact ND2-CA 3.39Å; N189-R211 WeakPolarHBondContact ND2-CB 3.44Å; N189-R211 PolarHBondContact ND2-N 3.02Å; N189-I232 CarbonylContact C-O 3.43Å; N189-I232 WeakPolarHBondContact CA-O 3.36Å; N189-I232 WeakPolarHBondContact CB-O 3.5Å; N189-I232 PolarHBondContact N-O 3.47Å
190S96.6Very high95.2Very high10 Ų1025.8 Ų25.87%0.0713%0.13CC..  trans-161.9158.2173.2179.60000108.4L192 G193 P234S190-L192 PolarHBondContact O-N 2.83Å; S190-L192 VanDerWaalsContact O-N 3.15Å; S190-L192 PolarHBondContact OG-N 3.38Å; S190-G193 PolarHBondContact O-N 3.38Å; S190-P234 WeakPolarHBondContact CA-O 3.46Å; S190-P234 PolarHBondContact OG-O 3.47Å
191I96.1Very high95.1Very high5 Ų525.1 Ų25.13%0.02613%0.134CC..G310 helixtrans-56-25.1162.467.4176.3000111.5G193 I194 I195 C233 P234 F291I191-G193 PolarHBondContact O-N 3.49Å; I191-I194 WeakPolarHBondContact O-CA 3.34Å; I191-I194 WeakPolarHBondContact O-CB 3.3Å; I191-I194 PolarHBondContact O-N 3.3Å; I191-I195 HydrophobicContact CD1-CD1 4.33Å; I191-I195 HydrophobicContact CG1-CD1 4.49Å; I191-I195 WeakPolarHBondContact O-CG1 3.39Å; I191-I195 PolarHBondContact O-N 3.18Å; I191-C233 HydrophobicContact CG2-CB 4.5Å; I191-C233 WeakPolarHBondContact CG2-O 3.32Å; I191-P234 PolarHBondContact N-O 3.4Å; I191-F291 HydrophobicContact CD1-CB 3.93Å; I191-F291 HydrophobicContact CD1-CD1 4.12Å; I191-F291 HydrophobicContact CD1-CG 4.39Å
192L94.9Very high94.9Very high20 Ų2018.1 Ų18.111%0.10511%0.105CC..G310 helixtrans-72.4-1.1172.8-64.2-175000114.2S190 I194 I195 A197 Y203 C204 H208S190-L192 PolarHBondContact O-N 2.83Å; S190-L192 VanDerWaalsContact O-N 3.15Å; S190-L192 PolarHBondContact OG-N 3.38Å; L192-I194 VanDerWaalsContact C-N 3.34Å; L192-I195 CarbonylContact C-O 3.17Å; L192-I195 VanDerWaalsContact C-O 3.29Å; L192-I195 VanDerWaalsContact CA-O 3.25Å; L192-I195 WeakPolarHBondContact CA-O 3.44Å; L192-I195 HydrophobicContact CD2-CD1 4.48Å; L192-I195 HydrophobicContact CD2-CG1 3.92Å; L192-I195 VanDerWaalsContact O-O 3.06Å; L192-A197 HydrophobicContact CD2-CB 3.67Å; L192-Y203 HydrophobicContact CB-CD1 4.18Å; L192-Y203 HydrophobicContact CB-CE1 4.03Å; L192-Y203 HydrophobicContact CD1-CD1 3.79Å; L192-Y203 HydrophobicContact CD1-CE1 3.87Å; L192-Y203 HydrophobicContact CG-CE1 4.48Å; L192-C204 WeakPolarHBondContact O-CA 3.31Å; L192-H208 PolarHBondContact O-CE1 3.49Å; L192-H208 PolarHBondContact O-ND1 3.22Å; L192-H208 VanDerWaalsContact O-ND1 3.14Å
193G94.8Very high94.8Very high0 Ų013.8 Ų13.80%09%0.085CC..G310 helixtrans-89.60.2163.300000113.6S190 I191 H208 R211S190-G193 PolarHBondContact O-N 3.38Å; I191-G193 PolarHBondContact O-N 3.49Å; G193-H208 VanDerWaalsContact C-CE1 3.49Å; G193-H208 PolarHBondContact O-CD2 3.43Å; G193-R211 WeakPolarHBondContact O-CD 3.46Å
194I94.6Very high94.7Very high13 Ų1313.8 Ų13.87%0.0678%0.084CC..THydrogen-bonded Turntrans-120.7-43.9178.6-55.3167.4000109.8I191 L192 C233 W285 T295I191-I194 WeakPolarHBondContact O-CA 3.34Å; I191-I194 WeakPolarHBondContact O-CB 3.3Å; I191-I194 PolarHBondContact O-N 3.3Å; L192-I194 VanDerWaalsContact C-N 3.34Å; I194-C233 HydrophobicContact CD1-CB 4.13Å; I194-W285 HydrophobicContact CD1-CD2 4.16Å; I194-W285 HydrophobicContact CD1-CG 4.17Å; I194-W285 HydrophobicContact CD1-CZ2 4.11Å; I194-T295 HydrophobicContact CB-CG2 4.26Å; I194-T295 HydrophobicContact CD1-CG2 3.9Å; I194-T295 HydrophobicContact CG2-CG2 3.94Å
195I93Very high94.7Very high8 Ų815.1 Ų15.14%0.04110%0.1CC..SBendtrans-112.7165.8178.278-178.8000110.1I191 L192 H208 V294 T295 W298I191-I195 HydrophobicContact CD1-CD1 4.33Å; I191-I195 HydrophobicContact CG1-CD1 4.49Å; I191-I195 WeakPolarHBondContact O-CG1 3.39Å; I191-I195 PolarHBondContact O-N 3.18Å; L192-I195 CarbonylContact C-O 3.17Å; L192-I195 VanDerWaalsContact C-O 3.29Å; L192-I195 VanDerWaalsContact CA-O 3.25Å; L192-I195 WeakPolarHBondContact CA-O 3.44Å; L192-I195 HydrophobicContact CD2-CD1 4.48Å; L192-I195 HydrophobicContact CD2-CG1 3.92Å; L192-I195 VanDerWaalsContact O-O 3.06Å; I195-H208 PolarHBondContact O-CE1 3.44Å; I195-V294 HydrophobicContact CD1-CG1 4.14Å; I195-T295 HydrophobicContact CG2-CG2 4.29Å; I195-W298 HydrophobicContact CB-CB 4.26Å; I195-W298 HydrophobicContact CB-CD2 3.71Å; I195-W298 HydrophobicContact CB-CE3 3.98Å; I195-W298 HydrophobicContact CB-CG 3.82Å; I195-W298 HydrophobicContact CG2-CB 3.37Å; I195-W298 HydrophobicContact CG2-CD2 3.84Å; I195-W298 HydrophobicContact CG2-CE3 4.27Å; I195-W298 HydrophobicContact CG2-CG 3.42Å; I195-W298 VanDerWaalsContact CG2-CG 3.42Å
196S90.1Very high94.6Very high53 Ų5315 Ų1537%0.37110%0.1SC..  trans-115.3152.7171.6-69.10000111.7
197A88.6Confident94.6Very high16 Ų1615.4 Ų15.413%0.13210%0.101CC..  trans-145144.9178.300000111.9L192 S200 R316L192-A197 HydrophobicContact CD2-CB 3.67Å; A197-S200 PolarHBondContact O-N 3Å; A197-R316 VanDerWaalsContact C-NH1 3.31Å
198P88Confident94.5Very high38 Ų3818.7 Ų18.725%0.24712%0.116CC..THydrogen-bonded Turntrans-58.7152-175.7-2432.6000112.9S200 R316 I317P198-S200 PolarHBondContact O-N 2.72Å; P198-R316 PolarHBondContact O-NH1 3.1Å; P198-I317 HydrophobicContact CB-CD1 4.07Å; P198-I317 HydrophobicContact CB-CG1 3.86Å
199L88.1Confident94.5Very high3 Ų320 Ų202%0.01613%0.128CC..THydrogen-bonded Turntrans75.3-0.7-177.4-45.3162.7000115.2Q143 R144 S145 L146 R316 F320 A326Q143-L199 CarbonylContact C-O 3.56Å; Q143-L199 PolarHBondContact NE2-O 2.92Å; R144-L199 CarbonylContact C-O 3.59Å; R144-L199 WeakPolarHBondContact CA-O 3.34Å; S145-L199 PolarHBondContact N-O 2.97Å; S145-L199 CarbonylContact O-C 3.55Å; S145-L199 WeakPolarHBondContact O-CA 3.36Å; L146-L199 HydrophobicContact CD2-CD2 3.58Å; L146-L199 HydrophobicContact CG-CD2 3.75Å; L199-R316 HydrophobicContact CD1-CG 4.46Å; L199-F320 HydrophobicContact CD1-CB 3.44Å; L199-F320 VanDerWaalsContact CD1-CB 3.44Å; L199-F320 HydrophobicContact CD1-CD1 4.08Å; L199-F320 HydrophobicContact CD1-CD2 3.82Å; L199-F320 HydrophobicContact CD1-CG 3.51Å; L199-F320 HydrophobicContact CD2-CB 4.44Å; L199-F320 HydrophobicContact CD2-CD1 3.62Å; L199-F320 HydrophobicContact CD2-CE1 3.94Å; L199-F320 HydrophobicContact CD2-CG 3.96Å; L199-F320 HydrophobicContact CG-CG 4.37Å; L199-A326 HydrophobicContact CD1-CB 4.05Å
200S92.1Very high94.6Very high0 Ų019.8 Ų19.80%013%0.127CC..  trans-133.630.7-175.1-61.30000112.2Q143 A197 P198 G202 Y203 C204Q143-S200 PolarHBondContact O-OG 3.47Å; Q143-S200 VanDerWaalsContact OE1-CA 3.24Å; A197-S200 PolarHBondContact O-N 3Å; P198-S200 PolarHBondContact O-N 2.72Å; S200-G202 VanDerWaalsContact C-N 3.32Å; S200-G202 PolarHBondContact O-N 3.36Å; S200-Y203 PolarHBondContact O-N 2.84Å; S200-C204 WeakPolarHBondContact O-CB 3.24Å; S200-C204 PolarHBondContact O-N 3.32Å; S200-C204 PolarHBondContact O-SG 2.77Å
201T94.9Very high94.7Very high58 Ų5821.5 Ų21.536%0.35613%0.132SC..Hα-helixtrans-55.2-46.2-175.744.90000112.2C147 Y155 A205C147-T201 HydrophobicContact CB-CG2 4.18Å; Y155-T201 PolarHBondContact OH-OG1 2.92Å; T201-A205 WeakPolarHBondContact O-CB 3.37Å; T201-A205 PolarHBondContact O-N 3.12Å
202G95.5Very high94.8Very high5 Ų523.3 Ų23.35%0.05215%0.152CC..Hα-helixtrans-67.4-43.4178.900000112.8Q143 Y155 S200 A205 S206Q143-G202 VanDerWaalsContact OE1-N 3.14Å; Y155-G202 VanDerWaalsContact CE1-CA 3.43Å; S200-G202 VanDerWaalsContact C-N 3.32Å; S200-G202 PolarHBondContact O-N 3.36Å; G202-A205 PolarHBondContact O-N 3.33Å; G202-S206 PolarHBondContact O-N 2.91Å
203Y95.9Very high95Very high16 Ų1625 Ų256%0.06316%0.158CC..Hα-helixtrans-64.1-46.8178.4179.1-106.6000111.3I141 L192 S200 A205 S206 K207I141-Y203 VanDerWaalsContact O-CD2 3.24Å; I141-Y203 WeakPolarHBondContact O-CD2 3.22Å; I141-Y203 WeakPolarHBondContact O-CE2 3.4Å; L192-Y203 HydrophobicContact CB-CD1 4.18Å; L192-Y203 HydrophobicContact CB-CE1 4.03Å; L192-Y203 HydrophobicContact CD1-CD1 3.79Å; L192-Y203 HydrophobicContact CD1-CE1 3.87Å; L192-Y203 HydrophobicContact CG-CE1 4.48Å; S200-Y203 PolarHBondContact O-N 2.84Å; Y203-A205 VanDerWaalsContact C-N 3.33Å; Y203-A205 PolarHBondContact O-N 3.21Å; Y203-S206 PolarHBondContact O-N 3.45Å; Y203-S206 PolarHBondContact O-OG 2.79Å; Y203-K207 HydrophobicContact CD1-CG 4.39Å; Y203-K207 HydrophobicContact CD2-CG 4.25Å; Y203-K207 HydrophobicContact CE1-CG 3.96Å; Y203-K207 HydrophobicContact CE2-CD 4.3Å; Y203-K207 HydrophobicContact CE2-CG 3.84Å; Y203-K207 PolarHBondContact O-N 3.43Å; Y203-K207 WeakPolarHBondContact OH-CE 3.27Å
204C96.6Very high95.2Very high3 Ų325 Ų252%0.0216%0.158CC..Hα-helixtrans-57.7-46.8176.4-63.40000110.4L192 S200 S206 K207 H208L192-C204 WeakPolarHBondContact O-CA 3.31Å; S200-C204 WeakPolarHBondContact O-CB 3.24Å; S200-C204 PolarHBondContact O-N 3.32Å; S200-C204 PolarHBondContact O-SG 2.77Å; C204-S206 PolarHBondContact O-N 3.42Å; C204-K207 PolarHBondContact O-N 3.09Å; C204-H208 PolarHBondContact O-N 2.73Å; C204-H208 PolarHBondContact O-ND1 3.16Å
205A97.4Very high95.3Very high55 Ų5526.7 Ų26.746%0.45517%0.167SC..Hα-helixtrans-57.4-47.9176.600000111.9T201 G202 Y203 K207 H208 A209T201-A205 WeakPolarHBondContact O-CB 3.37Å; T201-A205 PolarHBondContact O-N 3.12Å; G202-A205 PolarHBondContact O-N 3.33Å; Y203-A205 VanDerWaalsContact C-N 3.33Å; Y203-A205 PolarHBondContact O-N 3.21Å; A205-K207 VanDerWaalsContact C-N 3.33Å; A205-K207 PolarHBondContact O-N 3.05Å; A205-H208 PolarHBondContact O-N 3.24Å; A205-A209 WeakPolarHBondContact O-CB 3.47Å; A205-A209 PolarHBondContact O-N 2.89Å
206S97.9Very high95.6Very high0 Ų027.5 Ų27.50%018%0.178CC..Hα-helixtrans-61.5-38.9178.675.70000113N162 G202 Y203 C204 L210N162-S206 PolarHBondContact ND2-OG 3.02Å; N162-S206 VanDerWaalsContact ND2-OG 3.1Å; G202-S206 PolarHBondContact O-N 2.91Å; Y203-S206 PolarHBondContact O-N 3.45Å; Y203-S206 PolarHBondContact O-OG 2.79Å; C204-S206 PolarHBondContact O-N 3.42Å; S206-L210 WeakPolarHBondContact O-CB 3.37Å; S206-L210 PolarHBondContact O-N 2.59Å
207K97.6Very high95.9Very high9 Ų925.5 Ų25.54%0.03916%0.163CC..Hα-helixtrans-77.4-31.4-178.9-72.1-58.8-174.9178.90113V188 N189 Y203 C204 A205 L210 R211V188-K207 PolarHBondContact O-NZ 3.34Å; N189-K207 PolarHBondContact ND2-O 3.29Å; N189-K207 VanDerWaalsContact OD1-CB 3.3Å; N189-K207 WeakPolarHBondContact OD1-CB 3.2Å; N189-K207 WeakPolarHBondContact OD1-CD 3.49Å; N189-K207 PolarHBondContact OD1-O 3.34Å; Y203-K207 HydrophobicContact CD1-CG 4.39Å; Y203-K207 HydrophobicContact CD2-CG 4.25Å; Y203-K207 HydrophobicContact CE1-CG 3.96Å; Y203-K207 HydrophobicContact CE2-CD 4.3Å; Y203-K207 HydrophobicContact CE2-CG 3.84Å; Y203-K207 PolarHBondContact O-N 3.43Å; Y203-K207 WeakPolarHBondContact OH-CE 3.27Å; C204-K207 PolarHBondContact O-N 3.09Å; A205-K207 VanDerWaalsContact C-N 3.33Å; A205-K207 PolarHBondContact O-N 3.05Å; K207-L210 HydrophobicContact CD-CD2 4.14Å; K207-R211 WeakPolarHBondContact O-CB 3.25Å; K207-R211 PolarHBondContact O-N 3.34Å
208H97.9Very high96.4Very high68 Ų6827.3 Ų27.332%0.31517%0.167SC..Hα-helixtrans-66.1-45.5168.6-77.674.6000111.4L192 G193 I195 C204 A205 L210 R211 G212L192-H208 PolarHBondContact O-CE1 3.49Å; L192-H208 PolarHBondContact O-ND1 3.22Å; L192-H208 VanDerWaalsContact O-ND1 3.14Å; G193-H208 VanDerWaalsContact C-CE1 3.49Å; G193-H208 PolarHBondContact O-CD2 3.43Å; I195-H208 PolarHBondContact O-CE1 3.44Å; C204-H208 PolarHBondContact O-N 2.73Å; C204-H208 PolarHBondContact O-ND1 3.16Å; A205-H208 PolarHBondContact O-N 3.24Å; H208-L210 VanDerWaalsContact C-N 3.33Å; H208-L210 PolarHBondContact O-N 3.48Å; H208-R211 PolarHBondContact O-N 3.47Å; H208-G212 PolarHBondContact O-N 2.88Å
209A98.4Very high96.8Very high35 Ų3530.5 Ų30.529%0.28919%0.186SC..Hα-helixtrans-58.4-46.5175.900000111.3Y163 A205 R211 G212 F213Y163-A209 HydrophobicContact CD2-CB 4.02Å; Y163-A209 HydrophobicContact CE2-CB 4.18Å; Y163-A209 WeakPolarHBondContact CE2-O 3.37Å; Y163-A209 HydrophobicContact CG-CB 4.23Å; A205-A209 WeakPolarHBondContact O-CB 3.47Å; A205-A209 PolarHBondContact O-N 2.89Å; A209-R211 PolarHBondContact O-N 3.22Å; A209-G212 PolarHBondContact O-N 3.26Å; A209-F213 PolarHBondContact O-N 3.48Å
210L98.3Very high97.3Very high1 Ų137.4 Ų37.41%0.00522%0.218CC..Hα-helixtrans-59.1-45.9175.9-168.565.7000112.3N162 Y163 T166 T187 S206 K207 H208 G212 F213 F214N162-L210 WeakPolarHBondContact O-CD1 3.49Å; Y163-L210 HydrophobicContact CD2-CB 4.31Å; Y163-L210 HydrophobicContact CD2-CD1 4.15Å; T166-L210 HydrophobicContact CG2-CD1 3.77Å; T187-L210 HydrophobicContact CG2-CD1 4.26Å; T187-L210 HydrophobicContact CG2-CD2 3.62Å; T187-L210 HydrophobicContact CG2-CG 3.82Å; S206-L210 WeakPolarHBondContact O-CB 3.37Å; S206-L210 PolarHBondContact O-N 2.59Å; K207-L210 HydrophobicContact CD-CD2 4.14Å; H208-L210 VanDerWaalsContact C-N 3.33Å; H208-L210 PolarHBondContact O-N 3.48Å; L210-G212 PolarHBondContact O-N 2.92Å; L210-F213 PolarHBondContact O-N 3.18Å; L210-F214 HydrophobicContact CD1-CD2 3.98Å; L210-F214 HydrophobicContact CD1-CE2 3.57Å; L210-F214 HydrophobicContact CG-CD2 4.15Å; L210-F214 HydrophobicContact CG-CE2 4.16Å; L210-F214 WeakPolarHBondContact O-CD2 3.21Å; L210-F214 PolarHBondContact O-N 2.79Å; L210-F214 VanDerWaalsContact O-N 3.17Å
211R97.8Very high97.5Very high46 Ų4638 Ų3817%0.17422%0.221CC..Hα-helixtrans-60.2-47.4176.8-163.7175.5166.8-131.55.9111.4N189 G193 K207 H208 A209 F214 N215 E283N189-R211 VanDerWaalsContact ND2-CA 3.32Å; N189-R211 WeakPolarHBondContact ND2-CA 3.39Å; N189-R211 WeakPolarHBondContact ND2-CB 3.44Å; N189-R211 PolarHBondContact ND2-N 3.02Å; G193-R211 WeakPolarHBondContact O-CD 3.46Å; K207-R211 WeakPolarHBondContact O-CB 3.25Å; K207-R211 PolarHBondContact O-N 3.34Å; H208-R211 PolarHBondContact O-N 3.47Å; A209-R211 PolarHBondContact O-N 3.22Å; R211-F214 PolarHBondContact O-N 3.39Å; R211-N215 WeakPolarHBondContact O-CB 3.29Å; R211-N215 VanDerWaalsContact O-CG 3.27Å; R211-N215 PolarHBondContact O-N 3.12Å; R211-E283 IonicContact CZ-OE1 3.22Å; R211-E283 IonicContact CZ-OE2 2.8Å; R211-E283 IonicContact NE-OE1 3.14Å; R211-E283 IonicContact NE-OE2 2.68Å; R211-E283 PolarHBondContact NE-OE2 3.11Å; R211-E283 IonicContact NH2-OE1 3.09Å; R211-E283 PolarHBondContact NH2-OE1 3.42Å; R211-E283 IonicContact NH2-OE2 3.19Å; R211-E283 PolarHBondContact NH2-OE2 3.33Å
212G98.3Very high97.6Very high43 Ų4339.1 Ų39.144%0.44324%0.236SC..Hα-helixtrans-59-47.2-179.300000111.7H208 A209 L210 N215 G216H208-G212 PolarHBondContact O-N 2.88Å; A209-G212 PolarHBondContact O-N 3.26Å; L210-G212 PolarHBondContact O-N 2.92Å; G212-N215 PolarHBondContact O-N 3.23Å; G212-G216 PolarHBondContact O-N 2.81Å
213F98.7Very high97.7Very high55 Ų5542.7 Ų42.724%0.24127%0.265CS..Hα-helixtrans-58.7-51.7177.1175.9-90.4000112.5Y163 V167 A209 L210 N215 G216 L217Y163-F213 HydrophobicContact CE2-CB 3.65Å; Y163-F213 HydrophobicContact CE2-CG 4.16Å; V167-F213 HydrophobicContact CB-CE1 4.4Å; V167-F213 HydrophobicContact CB-CE2 4.45Å; V167-F213 HydrophobicContact CB-CZ 4.23Å; V167-F213 HydrophobicContact CG1-CD2 4.38Å; V167-F213 HydrophobicContact CG1-CE1 4.28Å; V167-F213 HydrophobicContact CG1-CE2 3.68Å; V167-F213 HydrophobicContact CG1-CZ 3.63Å; V167-F213 HydrophobicContact CG2-CD1 3.77Å; V167-F213 HydrophobicContact CG2-CD2 3.91Å; V167-F213 HydrophobicContact CG2-CE1 3.82Å; V167-F213 HydrophobicContact CG2-CE2 3.96Å; V167-F213 HydrophobicContact CG2-CG 3.82Å; V167-F213 HydrophobicContact CG2-CZ 3.93Å; A209-F213 PolarHBondContact O-N 3.48Å; L210-F213 PolarHBondContact O-N 3.18Å; F213-N215 VanDerWaalsContact C-N 3.29Å; F213-N215 PolarHBondContact O-N 2.82Å; F213-G216 PolarHBondContact O-N 2.72Å; F213-G216 VanDerWaalsContact O-N 3.15Å; F213-L217 HydrophobicContact CE1-CD2 4.17Å; F213-L217 WeakPolarHBondContact O-CB 3.43Å; F213-L217 PolarHBondContact O-N 2.91Å
214F98.6Very high97.8Very high0 Ų046 Ų460%028%0.278CS..Hα-helixtrans-69.3-27.5-179-79.1-68.7000113.3T166 T170 I185 T187 L210 R211 L217 R218 V229T166-F214 HydrophobicContact CG2-CE2 3.78Å; T166-F214 HydrophobicContact CG2-CZ 3.87Å; T170-F214 HydrophobicContact CG2-CE1 3.96Å; T170-F214 HydrophobicContact CG2-CZ 4.4Å; I185-F214 HydrophobicContact CG2-CD1 4.17Å; I185-F214 HydrophobicContact CG2-CE1 3.49Å; I185-F214 VanDerWaalsContact CG2-CE1 3.49Å; I185-F214 HydrophobicContact CG2-CZ 4.19Å; T187-F214 HydrophobicContact CG2-CD2 3.67Å; T187-F214 HydrophobicContact CG2-CE2 3.53Å; T187-F214 HydrophobicContact CG2-CZ 4.39Å; T187-F214 WeakPolarHBondContact OG1-CD2 3.43Å; T187-F214 WeakPolarHBondContact OG1-CE2 3.34Å; T187-F214 WeakPolarHBondContact OG1-CZ 3.19Å; L210-F214 HydrophobicContact CD1-CD2 3.98Å; L210-F214 HydrophobicContact CD1-CE2 3.57Å; L210-F214 HydrophobicContact CG-CD2 4.15Å; L210-F214 HydrophobicContact CG-CE2 4.16Å; L210-F214 WeakPolarHBondContact O-CD2 3.21Å; L210-F214 PolarHBondContact O-N 2.79Å; L210-F214 VanDerWaalsContact O-N 3.17Å; R211-F214 PolarHBondContact O-N 3.39Å; F214-L217 HydrophobicContact CD1-CD2 4.02Å; F214-L217 HydrophobicContact CE1-CD2 4.09Å; F214-R218 WeakPolarHBondContact O-CB 3.44Å; F214-R218 PolarHBondContact O-N 3.03Å; F214-R218 VanDerWaalsContact O-N 3.08Å; F214-V229 HydrophobicContact CB-CG1 3.93Å; F214-V229 HydrophobicContact CD1-CG1 3.72Å; F214-V229 HydrophobicContact CG-CG1 4.26Å; F214-V229 WeakPolarHBondContact O-CG1 3.26Å
215N97.7Very high97.7Very high48 Ų4851.2 Ų51.226%0.25731%0.312SS..Hα-helixtrans-67.9-41.6170.5-75.4-11.8000111.9R211 G212 F213 R218 N231R211-N215 WeakPolarHBondContact O-CB 3.29Å; R211-N215 VanDerWaalsContact O-CG 3.27Å; R211-N215 PolarHBondContact O-N 3.12Å; G212-N215 PolarHBondContact O-N 3.23Å; F213-N215 VanDerWaalsContact C-N 3.29Å; F213-N215 PolarHBondContact O-N 2.82Å; N215-R218 PolarHBondContact OD1-NH1 3.06Å; N215-N231 PolarHBondContact OD1-ND2 3.25Å
216G98.3Very high97.7Very high26 Ų2650.1 Ų50.127%0.26831%0.306SS..Hα-helixtrans-62.9-51.7172.600000112.1G212 F213 R218 T219 E220G212-G216 PolarHBondContact O-N 2.81Å; F213-G216 PolarHBondContact O-N 2.72Å; F213-G216 VanDerWaalsContact O-N 3.15Å; G216-R218 PolarHBondContact O-N 2.76Å; G216-T219 WeakPolarHBondContact O-CA 3.49Å; G216-T219 PolarHBondContact O-N 3.15Å; G216-T219 PolarHBondContact O-OG1 2.78Å; G216-E220 PolarHBondContact O-N 3.27Å; G216-E220 VanDerWaalsContact O-N 3.11Å
217L98.4Very high97.8Very high11 Ų1150.6 Ų50.66%0.05831%0.309CS..Hα-helixtrans-53.8-41.6178.617961.7000112.1T170 L174 I185 F213 F214 T219 E220 L221 V229T170-L217 HydrophobicContact CG2-CD2 3.95Å; L174-L217 HydrophobicContact CD2-CD1 3.88Å; I185-L217 HydrophobicContact CD1-CD2 4.21Å; F213-L217 HydrophobicContact CE1-CD2 4.17Å; F213-L217 WeakPolarHBondContact O-CB 3.43Å; F213-L217 PolarHBondContact O-N 2.91Å; F214-L217 HydrophobicContact CD1-CD2 4.02Å; F214-L217 HydrophobicContact CE1-CD2 4.09Å; L217-T219 PolarHBondContact O-N 3.1Å; L217-E220 PolarHBondContact O-N 3.03Å; L217-L221 HydrophobicContact CD1-CD1 3.99Å; L217-L221 HydrophobicContact CD1-CG 4.08Å; L217-L221 HydrophobicContact CG-CD1 3.93Å; L217-L221 HydrophobicContact CG-CG 4.41Å; L217-L221 WeakPolarHBondContact O-CG 3.44Å; L217-L221 PolarHBondContact O-N 3.42Å; L217-V229 HydrophobicContact CG-CG2 4.5Å
218R97.6Very high97.8Very high54 Ų5452 Ų5220%0.20432%0.316CS..Hα-helixtrans-56.2-38.5175.7-171.2-175.5-60106.92112.6F214 N215 G216 V229 K282F214-R218 WeakPolarHBondContact O-CB 3.44Å; F214-R218 PolarHBondContact O-N 3.03Å; F214-R218 VanDerWaalsContact O-N 3.08Å; N215-R218 PolarHBondContact OD1-NH1 3.06Å; G216-R218 PolarHBondContact O-N 2.76Å; R218-V229 HydrophobicContact CB-CB 4.03Å; R218-V229 HydrophobicContact CB-CG1 4.42Å; R218-V229 HydrophobicContact CB-CG2 4.41Å; R218-V229 HydrophobicContact CG-CB 4.25Å; R218-V229 PolarHBondContact NE-O 3Å; R218-V229 PolarHBondContact NH2-O 3.39Å; R218-K282 PolarHBondContact NH2-O 3.32Å
219T97.1Very high97.8Very high105 Ų10549 Ų4964%0.64430%0.302SS*.Hα-helixtrans-75-35.2178.763.40000112.3G216 L217 L221 A222G216-T219 WeakPolarHBondContact O-CA 3.49Å; G216-T219 PolarHBondContact O-N 3.15Å; G216-T219 PolarHBondContact O-OG1 2.78Å; L217-T219 PolarHBondContact O-N 3.1Å; T219-L221 VanDerWaalsContact C-N 3.25Å; T219-L221 PolarHBondContact O-N 3.46Å; T219-A222 WeakPolarHBondContact O-CB 3.15Å; T219-A222 PolarHBondContact O-N 2.99Å
220E97.8Very high97.8Very high148 Ų14847.5 Ų47.569%0.69229%0.29SS*.Hα-helixtrans-64.3-31.5174.2-66.6174.6-154.300112.1G216 L217 A222G216-E220 PolarHBondContact O-N 3.27Å; G216-E220 VanDerWaalsContact O-N 3.11Å; L217-E220 PolarHBondContact O-N 3.03Å; E220-A222 VanDerWaalsContact C-N 3.26Å; E220-A222 PolarHBondContact O-N 3.25Å
221L97.9Very high97.8Very high12 Ų1247.5 Ų47.56%0.06329%0.29CS..G310 helixtrans-85.115.1179.7-63.9174.8000114.4L174 I178 L217 T219 A223 Y224 I227 V229L174-L221 HydrophobicContact CD1-CD1 3.92Å; L174-L221 HydrophobicContact CD1-CD2 4Å; L174-L221 HydrophobicContact CD2-CD2 4.39Å; I178-L221 HydrophobicContact CD1-CD2 4.16Å; I178-L221 HydrophobicContact CG1-CD2 4.4Å; L217-L221 HydrophobicContact CD1-CD1 3.99Å; L217-L221 HydrophobicContact CD1-CG 4.08Å; L217-L221 HydrophobicContact CG-CD1 3.93Å; L217-L221 HydrophobicContact CG-CG 4.41Å; L217-L221 WeakPolarHBondContact O-CG 3.44Å; L217-L221 PolarHBondContact O-N 3.42Å; T219-L221 VanDerWaalsContact C-N 3.25Å; T219-L221 PolarHBondContact O-N 3.46Å; L221-A223 PolarHBondContact O-N 3.45Å; L221-A223 VanDerWaalsContact O-N 3.11Å; L221-Y224 HydrophobicContact CD2-CD2 3.96Å; L221-Y224 CarbonylContact O-C 3.5Å; L221-Y224 WeakPolarHBondContact O-CA 3.49Å; L221-Y224 PolarHBondContact O-N 2.89Å; L221-I227 HydrophobicContact CD1-CB 4.48Å; L221-I227 HydrophobicContact CD1-CG2 3.86Å; L221-V229 HydrophobicContact CD1-CG2 3.91Å
222A96.1Very high97.8Very high81 Ų8145.3 Ų45.367%0.66928%0.281SS*.G310 helixtrans-56.9-29-179.500000113.9T219 E220 Y224T219-A222 WeakPolarHBondContact O-CB 3.15Å; T219-A222 PolarHBondContact O-N 2.99Å; E220-A222 VanDerWaalsContact C-N 3.26Å; E220-A222 PolarHBondContact O-N 3.25Å; A222-Y224 PolarHBondContact O-N 2.87Å
223A97.2Very high97.8Very high81 Ų8143.2 Ų43.267%0.66926%0.26SS*.G310 helixtrans-73.9-9.8175.100000114L221 P225L221-A223 PolarHBondContact O-N 3.45Å; L221-A223 VanDerWaalsContact O-N 3.11Å; A223-P225 VanDerWaalsContact C-CD 3.49Å; A223-P225 WeakPolarHBondContact O-CD 3.49Å
224Y97.9Very high97.8Very high84 Ų8440.9 Ų40.933%0.32925%0.251SS..  trans-123.169.1-175.7-54.5-79.5000110.8I178 L221 A222 G226 I227I178-Y224 HydrophobicContact CD1-CE2 4.39Å; I178-Y224 HydrophobicContact CG1-CD2 4.44Å; I178-Y224 HydrophobicContact CG1-CE2 4.41Å; I178-Y224 HydrophobicContact CG2-CD1 4.29Å; I178-Y224 HydrophobicContact CG2-CE1 3.64Å; I178-Y224 HydrophobicContact CG2-CE2 4.48Å; L221-Y224 HydrophobicContact CD2-CD2 3.96Å; L221-Y224 CarbonylContact O-C 3.5Å; L221-Y224 WeakPolarHBondContact O-CA 3.49Å; L221-Y224 PolarHBondContact O-N 2.89Å; A222-Y224 PolarHBondContact O-N 2.87Å; Y224-G226 PolarHBondContact O-N 2.94Å; Y224-I227 HydrophobicContact CG-CD1 4.23Å; Y224-I227 PolarHBondContact O-N 3.24Å
225P95.2Very high97.6Very high113 Ų11341.7 Ų41.773%0.73426%0.259SS*.THydrogen-bonded Turntrans-63.2-17.2-173.226.1-35.9000114.4A223 I227A223-P225 VanDerWaalsContact C-CD 3.49Å; A223-P225 WeakPolarHBondContact O-CD 3.49Å; P225-I227 VanDerWaalsContact C-N 3.28Å
226G97.6Very high97.3Very high32 Ų3240.6 Ų40.633%0.3325%0.254SS..THydrogen-bonded Turntrans-79.1-4.9173.100000114.6K181 Q182 G183 Y224K181-G226 WeakPolarHBondContact O-CA 3.34Å; Q182-G226 WeakPolarHBondContact CA-O 3.39Å; G183-G226 PolarHBondContact N-O 2.86Å; G183-G226 VanDerWaalsContact N-O 3.15Å; Y224-G226 PolarHBondContact O-N 2.94Å
227I98.6Very high97Very high11 Ų1139.9 Ų39.96%0.05625%0.245CC..EExtended strand (participates in β ladder)trans-101.4113.4175.8-54.2176.8000109.6L174 M177 I178 G183 L221 Y224 P225L174-I227 HydrophobicContact CD1-CD1 4.48Å; M177-I227 HydrophobicContact CB-CD1 4.05Å; M177-I227 HydrophobicContact CB-CG1 4.39Å; I178-I227 HydrophobicContact CB-CD1 4.42Å; I178-I227 HydrophobicContact CG1-CD1 3.71Å; G183-I227 CarbonylContact O-C 3.45Å; G183-I227 VanDerWaalsContact O-CA 3.27Å; G183-I227 WeakPolarHBondContact O-CA 3.5Å; L221-I227 HydrophobicContact CD1-CB 4.48Å; L221-I227 HydrophobicContact CD1-CG2 3.86Å; Y224-I227 HydrophobicContact CG-CD1 4.23Å; Y224-I227 PolarHBondContact O-N 3.24Å; P225-I227 VanDerWaalsContact C-N 3.28Å
228I98.5Very high96.6Very high39 Ų3942.6 Ų42.620%0.226%0.257CS..EExtended strand (participates in β ladder)trans-98.6129.4-177-52.6-56.7000109.8G183 K184 I185 D280G183-I228 PolarHBondContact O-N 2.96Å; K184-I228 CarbonylContact C-O 3.55Å; K184-I228 WeakPolarHBondContact CA-O 3.4Å; K184-I228 HydrophobicContact CB-CB 4.48Å; K184-I228 HydrophobicContact CG-CB 4.24Å; K184-I228 HydrophobicContact CG-CG1 4.49Å; I185-I228 PolarHBondContact N-O 2.98Å; I228-D280 HydrophobicContact CD1-CB 4.31Å; I228-D280 HydrophobicContact CG1-CB 4.12Å; I228-D280 HydrophobicContact CG2-CB 4.02Å
229V98.6Very high95.9Very high4 Ų440.7 Ų40.72%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-111.7114171.7-177.20000109.3I185 F214 L217 R218 L221I185-V229 HydrophobicContact CD1-CG2 4.47Å; I185-V229 WeakPolarHBondContact O-CA 3.48Å; F214-V229 HydrophobicContact CB-CG1 3.93Å; F214-V229 HydrophobicContact CD1-CG1 3.72Å; F214-V229 HydrophobicContact CG-CG1 4.26Å; F214-V229 WeakPolarHBondContact O-CG1 3.26Å; L217-V229 HydrophobicContact CG-CG2 4.5Å; R218-V229 HydrophobicContact CB-CB 4.03Å; R218-V229 HydrophobicContact CB-CG1 4.42Å; R218-V229 HydrophobicContact CB-CG2 4.41Å; R218-V229 HydrophobicContact CG-CB 4.25Å; R218-V229 PolarHBondContact NE-O 3Å; R218-V229 PolarHBondContact NH2-O 3.39Å; L221-V229 HydrophobicContact CD1-CG2 3.91Å
230S98.2Very high95.1Very high4 Ų439.3 Ų39.33%0.02824%0.241CC..EExtended strand (participates in β ladder)trans-116128.8-175.6-173.60000111.7I185 T187 L281 K282I185-S230 PolarHBondContact O-N 2.89Å; T187-S230 PolarHBondContact N-O 3.2Å; S230-L281 VanDerWaalsContact CB-O 3.23Å; S230-L281 WeakPolarHBondContact CB-O 3.37Å; S230-L281 PolarHBondContact OG-O 2.94Å; S230-K282 CarbonylContact C-O 3.54Å; S230-K282 WeakPolarHBondContact CA-O 3.27Å
231N98.2Very high94.1Very high0 Ų035.4 Ų35.40%022%0.224CC..EExtended strand (participates in β ladder)trans-102.6113170.3-79-43.3000109.9N215 K282 E283 V284N215-N231 PolarHBondContact OD1-ND2 3.25Å; N231-K282 PolarHBondContact N-O 3.29Å; N231-E283 HydrophobicContact CB-CB 4.39Å; N231-E283 HydrophobicContact CB-CG 4.07Å; N231-E283 CarbonylContact O-C 3.29Å; N231-E283 VanDerWaalsContact O-CA 3.22Å; N231-E283 WeakPolarHBondContact O-CA 3.09Å; N231-V284 PolarHBondContact O-N 3.13Å
232I98.5Very high92.7Very high0 Ų035.7 Ų35.70%023%0.226CC..EExtended strand (participates in β ladder)trans-94.8123.3172.4-58.5-175.8000107.3V186 T187 N189 P234 M273 V284 I286V186-I232 HydrophobicContact CG1-CD1 3.36Å; V186-I232 HydrophobicContact CG1-CG1 3.94Å; T187-I232 PolarHBondContact O-N 3.12Å; N189-I232 CarbonylContact C-O 3.43Å; N189-I232 WeakPolarHBondContact CA-O 3.36Å; N189-I232 WeakPolarHBondContact CB-O 3.5Å; N189-I232 PolarHBondContact N-O 3.47Å; I232-P234 VanDerWaalsContact C-CD 3.49Å; I232-P234 HydrophobicContact CG2-CG 4.1Å; I232-P234 WeakPolarHBondContact O-CD 3.26Å; I232-M273 HydrophobicContact CD1-CB 3.84Å; I232-M273 HydrophobicContact CD1-CE 3.99Å; I232-M273 HydrophobicContact CD1-CG 3.86Å; I232-M273 HydrophobicContact CG2-CG 3.71Å; I232-M273 HydrophobicContact CG2-SD 4.35Å; I232-V284 HydrophobicContact CB-CG2 4.18Å; I232-V284 HydrophobicContact CG1-CG2 3.96Å; I232-V284 HydrophobicContact CG2-CG2 4.06Å; I232-I286 HydrophobicContact CG2-CD1 3.66Å
233C98.2Very high91.5Very high0 Ų035.8 Ų35.80%021%0.213CC..EExtended strand (participates in β ladder)trans-115.282.1-177.7-63.10000110.9I191 I194 V284 I286I191-C233 HydrophobicContact CG2-CB 4.5Å; I191-C233 WeakPolarHBondContact CG2-O 3.32Å; I194-C233 HydrophobicContact CD1-CB 4.13Å; C233-V284 WeakPolarHBondContact CB-O 3.41Å; C233-V284 PolarHBondContact N-O 3.27Å; C233-I286 PolarHBondContact O-N 3.47Å
234P97.4Very high90.5Very high6 Ų635.4 Ų35.44%0.03920%0.199CC..EExtended strand (participates in β ladder)trans-68.4145.2174-19.133000112.4I62 V188 S190 I191 I232 V237 I286I62-P234 HydrophobicContact CD1-CB 4.38Å; I62-P234 HydrophobicContact CD1-CG 4.22Å; V188-P234 HydrophobicContact CG1-CG 4Å; S190-P234 WeakPolarHBondContact CA-O 3.46Å; S190-P234 PolarHBondContact OG-O 3.47Å; I191-P234 PolarHBondContact N-O 3.4Å; I232-P234 VanDerWaalsContact C-CD 3.49Å; I232-P234 HydrophobicContact CG2-CG 4.1Å; I232-P234 WeakPolarHBondContact O-CD 3.26Å; P234-V237 HydrophobicContact CB-CG2 4.09Å; P234-I286 CarbonylContact C-O 3.49Å; P234-I286 WeakPolarHBondContact CA-O 3.43Å
235G94.6Very high89.3Confident16 Ų1631.4 Ų31.417%0.16518%0.184CC..  trans-84.8-150.1165.200000112.6V237 I286G235-V237 PolarHBondContact O-N 3.15Å; G235-I286 PolarHBondContact N-O 3.15Å
236P91.3Very high88.5Confident25 Ų2526.5 Ų26.516%0.16215%0.151CC..SBendtrans-65.4115.7173.6-21.134.1000111.6K263 M264 F291 F331P236-K263 HydrophobicContact CB-CB 4.41Å; P236-K263 HydrophobicContact CB-CD 4.14Å; P236-K263 HydrophobicContact CB-CG 3.97Å; P236-M264 PolarHBondContact O-N 3.05Å; P236-F291 HydrophobicContact CG-CD1 4.11Å; P236-F291 HydrophobicContact CG-CD2 3.92Å; P236-F291 HydrophobicContact CG-CE1 4.03Å; P236-F291 HydrophobicContact CG-CE2 3.89Å; P236-F291 HydrophobicContact CG-CG 4.04Å; P236-F291 HydrophobicContact CG-CZ 3.9Å; P236-F331 HydrophobicContact CB-CZ 4.13Å; P236-F331 HydrophobicContact CG-CZ 4.18Å
237V92.2Very high87.7Confident12 Ų1225.7 Ų25.77%0.07314%0.141CC..BIsolated β-bridgetrans-125.3143.2180177.90000109.6I62 P234 G235 S239 M264 T266 C269I62-V237 HydrophobicContact CD1-CB 4.49Å; I62-V237 HydrophobicContact CD1-CG1 4.39Å; I62-V237 HydrophobicContact CG1-CG1 4.28Å; P234-V237 HydrophobicContact CB-CG2 4.09Å; G235-V237 PolarHBondContact O-N 3.15Å; V237-S239 PolarHBondContact O-N 3.26Å; V237-S239 PolarHBondContact O-OG 3.34Å; V237-M264 WeakPolarHBondContact CA-O 3.41Å; V237-M264 HydrophobicContact CG2-CB 4.46Å; V237-T266 HydrophobicContact CG1-CG2 4.46Å; V237-T266 WeakPolarHBondContact CG1-OG1 2.98Å; V237-C269 HydrophobicContact CG1-CB 3.99Å; V237-C269 HydrophobicContact CG2-CB 3.96Å
238Q89.8Confident86.3Confident68 Ų6826 Ų2632%0.31815%0.147SC..SBendtrans-6493.3-178.4-71.8178.5-6.300112.8Q260 K263 M264 T266Q238-Q260 VanDerWaalsContact CA-OE1 3.29Å; Q238-Q260 HydrophobicContact CG-CB 4.24Å; Q238-Q260 WeakPolarHBondContact CG-O 3.37Å; Q238-Q260 PolarHBondContact NE2-O 2.9Å; Q238-K263 HydrophobicContact CG-CB 3.94Å; Q238-K263 PolarHBondContact NE2-O 3.17Å; Q238-M264 WeakPolarHBondContact CG-O 3.48Å; Q238-M264 PolarHBondContact N-O 2.69Å; Q238-T266 PolarHBondContact O-OG1 3.26Å
239S83.9Confident85Confident14 Ų1428.3 Ų28.310%0.09816%0.157CC..SBendtrans-152.9166.1-175.466.60000113.1V237 I241 Q260V237-S239 PolarHBondContact O-N 3.26Å; V237-S239 PolarHBondContact O-OG 3.34Å; S239-I241 PolarHBondContact O-N 3.07Å; S239-I241 VanDerWaalsContact O-N 3.13Å; S239-I241 WeakPolarHBondContact OG-CG2 3.28Å; S239-I241 PolarHBondContact OG-N 2.82Å; S239-Q260 PolarHBondContact O-NE2 3.37Å; S239-Q260 PolarHBondContact O-OE1 2.98Å
240N79.9Confident83.3Confident75 Ų7530.3 Ų30.340%0.40117%0.169SC..THydrogen-bonded Turntrans-74.98.6175.5-61.2-18.5000113V242 Q243 N244N240-V242 PolarHBondContact O-N 3.03Å; N240-Q243 PolarHBondContact O-N 2.88Å; N240-N244 WeakPolarHBondContact O-CB 3.41Å; N240-N244 VanDerWaalsContact O-CG 3.32Å; N240-N244 PolarHBondContact O-N 3.21Å; N240-N244 PolarHBondContact O-ND2 2.84Å
241I76.1Confident82Confident66 Ų6635.8 Ų35.834%0.33820%0.203SC..THydrogen-bonded Turntrans-61.2-33.5-179.4-162171.2000112.2S239 N244 S245S239-I241 PolarHBondContact O-N 3.07Å; S239-I241 VanDerWaalsContact O-N 3.13Å; S239-I241 WeakPolarHBondContact OG-CG2 3.28Å; S239-I241 PolarHBondContact OG-N 2.82Å; I241-N244 CarbonylContact O-C 3.51Å; I241-S245 PolarHBondContact O-N 3.4Å; I241-S245 VanDerWaalsContact O-N 3.11Å; I241-S245 PolarHBondContact O-OG 3.42Å
242V69.8Low80.6Confident18 Ų1841 Ų4111%0.10923%0.225CC..THydrogen-bonded Turntrans-70.6-46.6177.81750000110.3N240 N244 S245 N257N240-V242 PolarHBondContact O-N 3.03Å; V242-N244 PolarHBondContact O-N 3.04Å; V242-S245 WeakPolarHBondContact CA-OG 3.41Å; V242-S245 WeakPolarHBondContact O-CB 3.46Å; V242-S245 PolarHBondContact O-N 2.9Å; V242-S245 PolarHBondContact O-OG 2.94Å; V242-N257 WeakPolarHBondContact CB-OD1 3.42Å
243Q70.3Confident79.2Confident84 Ų8445 Ų4539%0.39325%0.25SC..THydrogen-bonded Turntrans-59.1-37.1174.7-176.9175.68.600112.5N240 S245 I254 N257N240-Q243 PolarHBondContact O-N 2.88Å; Q243-S245 VanDerWaalsContact C-N 3.27Å; Q243-S245 PolarHBondContact O-N 3.06Å; Q243-I254 WeakPolarHBondContact CA-O 3.5Å; Q243-N257 WeakPolarHBondContact CA-OD1 3.47Å; Q243-N257 VanDerWaalsContact CB-OD1 3.3Å; Q243-N257 WeakPolarHBondContact CB-OD1 3.17Å; Q243-N257 PolarHBondContact N-OD1 2.97Å; Q243-N257 PolarHBondContact OE1-ND2 3.45Å
244N75.7Confident77.7Confident73 Ų7346.7 Ų46.739%0.3926%0.258SS..THydrogen-bonded Turntrans-87.36.8178.4-63.6-27.1000113N240 I241 V242N240-N244 WeakPolarHBondContact O-CB 3.41Å; N240-N244 VanDerWaalsContact O-CG 3.32Å; N240-N244 PolarHBondContact O-N 3.21Å; N240-N244 PolarHBondContact O-ND2 2.84Å; I241-N244 CarbonylContact O-C 3.51Å; V242-N244 PolarHBondContact O-N 3.04Å
245S73.6Confident75.7Confident0 Ų051 Ų510%030%0.295CS..  trans-73.5138178.3-64.90000111S142 I241 V242 Q243 T253 I254S142-S245 WeakPolarHBondContact CB-OG 3.32Å; S142-S245 WeakPolarHBondContact O-CA 3.36Å; I241-S245 PolarHBondContact O-N 3.4Å; I241-S245 VanDerWaalsContact O-N 3.11Å; I241-S245 PolarHBondContact O-OG 3.42Å; V242-S245 WeakPolarHBondContact CA-OG 3.41Å; V242-S245 WeakPolarHBondContact O-CB 3.46Å; V242-S245 PolarHBondContact O-N 2.9Å; V242-S245 PolarHBondContact O-OG 2.94Å; Q243-S245 VanDerWaalsContact C-N 3.27Å; Q243-S245 PolarHBondContact O-N 3.06Å; S245-T253 WeakPolarHBondContact O-CA 3.39Å; S245-I254 PolarHBondContact O-N 3.15Å
246L77.6Confident74.1Confident9 Ų955.8 Ų55.85%0.04732%0.317CS..BIsolated β-bridgetrans-68.1138.5169.2-57.8-179.3000109.7I141 S142 Q143 R144 V154 K157 V250I141-L246 HydrophobicContact CD1-CD1 3.57Å; I141-L246 HydrophobicContact CD1-CD2 4.4Å; I141-L246 HydrophobicContact CD1-CG 3.92Å; S142-L246 PolarHBondContact O-N 2.82Å; Q143-L246 CarbonylContact C-O 3.57Å; Q143-L246 WeakPolarHBondContact CA-O 3.43Å; R144-L246 PolarHBondContact N-O 3.43Å; V154-L246 HydrophobicContact CG1-CB 3.99Å; V154-L246 HydrophobicContact CG1-CD1 3.91Å; K157-L246 HydrophobicContact CD-CD1 4.04Å; K157-L246 HydrophobicContact CG-CD1 4.4Å; L246-V250 WeakPolarHBondContact CD2-O 3.4Å
247A81.5Confident72.7Confident15 Ų1556.1 Ų56.112%0.12432%0.317CS..  trans-88-147.3169.200000109.7S145 E249 K252 I254S145-A247 PolarHBondContact OG-O 3.42Å; A247-E249 PolarHBondContact O-N 2.98Å; A247-K252 HydrophobicContact CB-CB 3.92Å; A247-K252 WeakPolarHBondContact CB-O 3.38Å; A247-K252 PolarHBondContact N-O 3.31Å; A247-I254 HydrophobicContact CB-CD1 4.15Å
248G68.2Low71.5Confident17 Ų1757.1 Ų57.118%0.17533%0.33CS..SBendtrans-64.9-21.8178.800000114.8D149 S151D149-G248 WeakPolarHBondContact O-CA 3.45Å; S151-G248 PolarHBondContact N-O 3.19Å
249E70.4Confident70.8Confident88 Ų8858.4 Ų58.441%0.41134%0.339SS..SBendtrans-126.1155.6179.1-71.1164.6-150.100110.7A247 T251 K252A247-E249 PolarHBondContact O-N 2.98Å; E249-T251 PolarHBondContact O-N 2.71Å; E249-K252 HydrophobicContact CB-CD 4.29Å; E249-K252 HydrophobicContact CB-CG 4.45Å; E249-K252 PolarHBondContact O-N 2.99Å; E249-K252 IonicContact OE1-NZ 2.82Å; E249-K252 PolarHBondContact OE1-NZ 3.19Å; E249-K252 WeakPolarHBondContact OE2-CE 3.3Å; E249-K252 IonicContact OE2-NZ 2.93Å; E249-K252 PolarHBondContact OE2-NZ 3.21Å
250V63.7Low70.6Confident46 Ų4659 Ų5928%0.27934%0.34SS..THydrogen-bonded Turntrans-63-27.7-176.9175.10000113.6D153 V154 K157 L246D153-V250 HydrophobicContact CB-CG2 3.87Å; V154-V250 HydrophobicContact CG2-CG2 3.91Å; K157-V250 HydrophobicContact CD-CG1 3.5Å; K157-V250 HydrophobicContact CD-CG2 4.43Å; K157-V250 VanDerWaalsContact NZ-CG1 3.27Å; L246-V250 WeakPolarHBondContact CD2-O 3.4Å
251T70.5Confident70.6Confident119 Ų11959.2 Ų59.273%0.7335%0.348SS*.THydrogen-bonded Turntrans-89-16.7-17750.80000113.4E249E249-T251 PolarHBondContact O-N 2.71Å
252K68.7Low70.8Confident109 Ų10957.6 Ų57.647%0.47434%0.339SS..  trans-96.6123.9-176.5-70.3174.5-179.1155.50110A247 E249A247-K252 HydrophobicContact CB-CB 3.92Å; A247-K252 WeakPolarHBondContact CB-O 3.38Å; A247-K252 PolarHBondContact N-O 3.31Å; E249-K252 HydrophobicContact CB-CD 4.29Å; E249-K252 HydrophobicContact CB-CG 4.45Å; E249-K252 PolarHBondContact O-N 2.99Å; E249-K252 IonicContact OE1-NZ 2.82Å; E249-K252 PolarHBondContact OE1-NZ 3.19Å; E249-K252 WeakPolarHBondContact OE2-CE 3.3Å; E249-K252 IonicContact OE2-NZ 2.93Å; E249-K252 PolarHBondContact OE2-NZ 3.21Å
253T70.6Confident71.7Confident85 Ų8557.2 Ų57.252%0.52134%0.335SS..BIsolated β-bridgetrans-107.5161.617256.90000111.3S245 A255S245-T253 WeakPolarHBondContact O-CA 3.39Å; T253-A255 PolarHBondContact O-N 3.29Å
254I65.6Low72.8Confident35 Ų3553.3 Ų53.318%0.17932%0.317CS..  trans-78.3115.7173.9-56.1-61.7000109R144 Q243 S245 A247 N256 F320R144-I254 HydrophobicContact CB-CD1 4.06Å; R144-I254 HydrophobicContact CB-CG1 3.84Å; Q243-I254 WeakPolarHBondContact CA-O 3.5Å; S245-I254 PolarHBondContact O-N 3.15Å; A247-I254 HydrophobicContact CB-CD1 4.15Å; I254-N256 PolarHBondContact O-N 3.34Å; I254-F320 HydrophobicContact CD1-CE2 4.37Å
255A54.8Low73.8Confident98 Ų9853 Ų5381%0.8132%0.318SS*.  trans-73.6-20-174.100000114.7T253T253-A255 PolarHBondContact O-N 3.29Å
256N62.2Low74.8Confident116 Ų11653.8 Ų53.862%0.6232%0.323SS*.  trans-125.9123.2-174-167.7-10.5000111.9I254 G258I254-N256 PolarHBondContact O-N 3.34Å; N256-G258 VanDerWaalsContact C-N 3.31Å; N256-G258 PolarHBondContact OD1-N 3.4Å
257N61.3Low75.8Confident32 Ų3256.1 Ų56.117%0.17134%0.34CS..  trans-77.4-12.9178.9-93-23.8000114.1V242 Q243V242-N257 WeakPolarHBondContact CB-OD1 3.42Å; Q243-N257 WeakPolarHBondContact CA-OD1 3.47Å; Q243-N257 VanDerWaalsContact CB-OD1 3.3Å; Q243-N257 WeakPolarHBondContact CB-OD1 3.17Å; Q243-N257 PolarHBondContact N-OD1 2.97Å; Q243-N257 PolarHBondContact OE1-ND2 3.45Å
258G67.2Low76.5Confident32 Ų3258.5 Ų58.533%0.3335%0.346SS..  trans60.3-175.8-169.700000113.1N256 Q260N256-G258 VanDerWaalsContact C-N 3.31Å; N256-G258 PolarHBondContact OD1-N 3.4Å; G258-Q260 PolarHBondContact O-N 3.5Å
259D75.3Confident78Confident95 Ų9557.7 Ų57.751%0.50834%0.337SS..  trans-71.4117.9172.2170.425.5000110.2S261 H262D259-S261 VanDerWaalsContact CG-OG 3.25Å; D259-S261 WeakPolarHBondContact OD1-CB 3.4Å; D259-S261 PolarHBondContact OD1-N 3.31Å; D259-S261 PolarHBondContact OD1-OG 3.02Å; D259-S261 PolarHBondContact OD2-OG 2.94Å; D259-S261 VanDerWaalsContact OD2-OG 3.05Å; D259-H262 PolarHBondContact O-CE1 3.16Å; D259-H262 PolarHBondContact O-ND1 3.41Å; D259-H262 VanDerWaalsContact O-ND1 3.15Å
260Q79Confident79.3Confident26 Ų2653.5 Ų53.512%0.12132%0.318CS..  trans-102.34.2177.4-59.1-1548.200114Q238 S239 G258 H262 K263Q238-Q260 VanDerWaalsContact CA-OE1 3.29Å; Q238-Q260 HydrophobicContact CG-CB 4.24Å; Q238-Q260 WeakPolarHBondContact CG-O 3.37Å; Q238-Q260 PolarHBondContact NE2-O 2.9Å; S239-Q260 PolarHBondContact O-NE2 3.37Å; S239-Q260 PolarHBondContact O-OE1 2.98Å; G258-Q260 PolarHBondContact O-N 3.5Å; Q260-H262 PolarHBondContact O-N 3.21Å; Q260-K263 HydrophobicContact CB-CD 4.14Å; Q260-K263 HydrophobicContact CG-CD 4.24Å; Q260-K263 WeakPolarHBondContact O-CB 3.39Å; Q260-K263 PolarHBondContact O-N 3.37Å
261S79.5Confident81Confident81 Ų8155.6 Ų55.657%0.56632%0.321SS*.THydrogen-bonded Turntrans-56.9-25.6-17662.80000113.9D259D259-S261 VanDerWaalsContact CG-OG 3.25Å; D259-S261 WeakPolarHBondContact OD1-CB 3.4Å; D259-S261 PolarHBondContact OD1-N 3.31Å; D259-S261 PolarHBondContact OD1-OG 3.02Å; D259-S261 PolarHBondContact OD2-OG 2.94Å; D259-S261 VanDerWaalsContact OD2-OG 3.05Å
262H80.8Confident82.3Confident32 Ų3249.9 Ų49.915%0.14829%0.286CS..THydrogen-bonded Turntrans-83.2-8.4-179.863.8-101.1000114.2D259 Q260 D325 F331D259-H262 PolarHBondContact O-CE1 3.16Å; D259-H262 PolarHBondContact O-ND1 3.41Å; D259-H262 VanDerWaalsContact O-ND1 3.15Å; Q260-H262 PolarHBondContact O-N 3.21Å; H262-D325 IonicContact CE1-OD2 2.67Å; H262-D325 PolarHBondContact CE1-OD2 3.11Å; H262-D325 IonicContact NE2-OD2 3.84Å; H262-F331 HydrophobicContact CB-CB 4.08Å; H262-F331 HydrophobicContact CB-CD1 4.22Å; H262-F331 HydrophobicContact CB-CD2 4.45Å; H262-F331 HydrophobicContact CB-CG 4.01Å; H262-F331 AromaticContact CD2-CD1 3.89Å; H262-F331 AromaticContact CD2-CD2 2.98Å; H262-F331 WeakPolarHBondContact CD2-CD2 3.42Å; H262-F331 AromaticContact CD2-CE1 3.96Å; H262-F331 AromaticContact CD2-CE2 3.09Å; H262-F331 WeakPolarHBondContact CD2-CE2 3.04Å; H262-F331 AromaticContact CD2-CG 3.4Å; H262-F331 VanDerWaalsContact CD2-CG 3.4Å; H262-F331 WeakPolarHBondContact CD2-CG 3.38Å; H262-F331 AromaticContact CD2-CZ 3.57Å; H262-F331 AromaticContact CG-CD2 3.85Å; H262-F331 AromaticContact CG-CG 3.91Å; H262-F331 AromaticContact NE2-CD2 3.43Å; H262-F331 WeakPolarHBondContact NE2-CD2 3.41Å; H262-F331 AromaticContact NE2-CE2 3.41Å; H262-F331 WeakPolarHBondContact NE2-CE2 3.13Å; H262-F331 WeakPolarHBondContact O-CD1 3.43Å; H262-F331 WeakPolarHBondContact O-CE1 3.17Å
263K88.9Confident83.7Confident9 Ų944.7 Ų44.74%0.03926%0.263CS..SBendtrans-88.7158.6179.3-59.8178.1-173166.10110.2P236 Q238 Q260 T265 D325 F331P236-K263 HydrophobicContact CB-CB 4.41Å; P236-K263 HydrophobicContact CB-CD 4.14Å; P236-K263 HydrophobicContact CB-CG 3.97Å; Q238-K263 HydrophobicContact CG-CB 3.94Å; Q238-K263 PolarHBondContact NE2-O 3.17Å; Q260-K263 HydrophobicContact CB-CD 4.14Å; Q260-K263 HydrophobicContact CG-CD 4.24Å; Q260-K263 WeakPolarHBondContact O-CB 3.39Å; Q260-K263 PolarHBondContact O-N 3.37Å; K263-T265 PolarHBondContact O-N 2.88Å; K263-D325 VanDerWaalsContact CE-OD2 3.3Å; K263-D325 WeakPolarHBondContact CE-OD2 3.19Å; K263-D325 IonicContact NZ-OD1 2.71Å; K263-D325 IonicContact NZ-OD2 3.97Å; K263-D325 PolarHBondContact NZ-OD2 2.89Å; K263-F331 HydrophobicContact CG-CZ 4.46Å
264M93.6Very high85.1Confident2 Ų240.8 Ų40.81%0.0124%0.239CC..BIsolated β-bridgetrans-59.4139173.5-179.4-172.7-7200110.3D29 P236 V237 Q238 R268 C269 I286 Q288D29-M264 HydrophobicContact CB-CE 3.84Å; D29-M264 VanDerWaalsContact O-CE 3.24Å; D29-M264 WeakPolarHBondContact O-CE 3.46Å; P236-M264 PolarHBondContact O-N 3.05Å; V237-M264 WeakPolarHBondContact CA-O 3.41Å; V237-M264 HydrophobicContact CG2-CB 4.46Å; Q238-M264 WeakPolarHBondContact CG-O 3.48Å; Q238-M264 PolarHBondContact N-O 2.69Å; M264-R268 HydrophobicContact CG-CB 4.15Å; M264-R268 HydrophobicContact CG-CG 4.21Å; M264-R268 HydrophobicContact SD-CB 4.5Å; M264-R268 HydrophobicContact SD-CG 4.24Å; M264-C269 HydrophobicContact SD-CB 3.71Å; M264-I286 HydrophobicContact CE-CG2 3.76Å; M264-I286 HydrophobicContact SD-CG2 3.57Å; M264-I286 VanDerWaalsContact SD-CG2 3.57Å; M264-Q288 HydrophobicContact CB-CG 4.31Å; M264-Q288 HydrophobicContact CE-CG 3.95Å
265T95.9Very high86.7Confident66 Ų6639.4 Ų39.441%0.40523%0.232SC..PPolyproline II helixtrans-65.5142.1173.866.60000110.6K263 S267 R268 C269K263-T265 PolarHBondContact O-N 2.88Å; T265-S267 PolarHBondContact O-N 2.87Å; T265-R268 PolarHBondContact O-N 3.42Å; T265-R268 VanDerWaalsContact O-N 3.17Å; T265-R268 VanDerWaalsContact OG1-CB 3.28Å; T265-R268 WeakPolarHBondContact OG1-CB 3.15Å; T265-R268 PolarHBondContact OG1-N 3.33Å; T265-C269 PolarHBondContact O-N 3.15Å; T265-C269 VanDerWaalsContact O-N 3.08Å
266T96.3Very high88.7Confident17 Ų1734.8 Ų34.810%0.10419%0.194CC..Hα-helixtrans-59.3-37.4177.6-60.50000111.7I62 E65 V237 Q238 R268 C269 V270I62-T266 HydrophobicContact CG1-CG2 4.09Å; E65-T266 HydrophobicContact CB-CG2 3.54Å; E65-T266 HydrophobicContact CG-CG2 3.89Å; V237-T266 HydrophobicContact CG1-CG2 4.46Å; V237-T266 WeakPolarHBondContact CG1-OG1 2.98Å; Q238-T266 PolarHBondContact O-OG1 3.26Å; T266-R268 PolarHBondContact O-N 3Å; T266-C269 WeakPolarHBondContact O-CB 3.44Å; T266-C269 PolarHBondContact O-N 2.8Å; T266-V270 HydrophobicContact CG2-CG2 4.34Å; T266-V270 WeakPolarHBondContact O-CG2 3.42Å; T266-V270 PolarHBondContact O-N 3.14Å
267S97.4Very high90.5Very high59 Ų5929.4 Ų29.441%0.41317%0.165SC..Hα-helixtrans-60.8-42.3177.4-160.40000112.7E65 Q69 T265 V270 R271E65-S267 WeakPolarHBondContact OE1-CA 3.43Å; E65-S267 WeakPolarHBondContact OE1-CB 3.39Å; E65-S267 PolarHBondContact OE1-OG 2.9Å; Q69-S267 PolarHBondContact NE2-O 3.16Å; Q69-S267 PolarHBondContact NE2-OG 3.49Å; T265-S267 PolarHBondContact O-N 2.87Å; S267-V270 PolarHBondContact O-N 3.25Å; S267-R271 WeakPolarHBondContact O-CB 3.38Å; S267-R271 PolarHBondContact O-N 3.38Å
268R97.4Very high92.2Very high64 Ų6427.9 Ų27.924%0.24216%0.157CC..Hα-helixtrans-66.4-43.3175.1178.556.9179160.45.2111.8D29 E38 M264 T265 T266 V270 R271 L272D29-R268 IonicContact OD1-CZ 3.51Å; D29-R268 IonicContact OD1-NE 3.62Å; D29-R268 IonicContact OD1-NH2 2.74Å; D29-R268 PolarHBondContact OD1-NH2 2.75Å; D29-R268 VanDerWaalsContact OD1-NH2 3.09Å; D29-R268 IonicContact OD2-CZ 3.64Å; D29-R268 IonicContact OD2-NE 2.81Å; D29-R268 PolarHBondContact OD2-NE 3.31Å; D29-R268 IonicContact OD2-NH2 3.29Å; D29-R268 PolarHBondContact OD2-NH2 3.27Å; E38-R268 IonicContact OE1-CZ 2.67Å; E38-R268 IonicContact OE1-NH1 3.34Å; E38-R268 PolarHBondContact OE1-NH1 3.46Å; E38-R268 IonicContact OE1-NH2 2.93Å; E38-R268 PolarHBondContact OE1-NH2 3.37Å; E38-R268 IonicContact OE2-CZ 3.9Å; E38-R268 IonicContact OE2-NH1 3.71Å; E38-R268 IonicContact OE2-NH2 3.46Å; E38-R268 PolarHBondContact OE2-NH2 3.41Å; M264-R268 HydrophobicContact CG-CB 4.15Å; M264-R268 HydrophobicContact CG-CG 4.21Å; M264-R268 HydrophobicContact SD-CB 4.5Å; M264-R268 HydrophobicContact SD-CG 4.24Å; T265-R268 PolarHBondContact O-N 3.42Å; T265-R268 VanDerWaalsContact O-N 3.17Å; T265-R268 VanDerWaalsContact OG1-CB 3.28Å; T265-R268 WeakPolarHBondContact OG1-CB 3.15Å; T265-R268 PolarHBondContact OG1-N 3.33Å; T266-R268 PolarHBondContact O-N 3Å; R268-V270 PolarHBondContact O-N 3.44Å; R268-R271 PolarHBondContact O-N 2.97Å; R268-L272 PolarHBondContact O-N 3.03Å; R268-L272 VanDerWaalsContact O-N 3.17Å
269C98.4Very high93.7Very high0 Ų027.6 Ų27.60%015%0.147CC..Hα-helixtrans-56.9-50.9176.2-178.60000110.9V237 M264 T265 T266 R271 L272 M273 I286V237-C269 HydrophobicContact CG1-CB 3.99Å; V237-C269 HydrophobicContact CG2-CB 3.96Å; M264-C269 HydrophobicContact SD-CB 3.71Å; T265-C269 PolarHBondContact O-N 3.15Å; T265-C269 VanDerWaalsContact O-N 3.08Å; T266-C269 WeakPolarHBondContact O-CB 3.44Å; T266-C269 PolarHBondContact O-N 2.8Å; C269-R271 VanDerWaalsContact C-N 3.34Å; C269-R271 PolarHBondContact O-N 2.98Å; C269-L272 WeakPolarHBondContact O-CB 3.4Å; C269-L272 PolarHBondContact O-N 3.43Å; C269-M273 VanDerWaalsContact O-CG 3.31Å; C269-M273 WeakPolarHBondContact O-CG 3.38Å; C269-M273 PolarHBondContact O-N 3.09Å; C269-I286 HydrophobicContact CB-CG2 4.29Å
270V98.6Very high94.8Very high0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-63.2-38.2179.7167.80000112I62 E65 L66 Q69 T266 S267 R268 L272 M273 L274I62-V270 HydrophobicContact CG2-CG2 4.05Å; E65-V270 HydrophobicContact CB-CG2 3.9Å; E65-V270 HydrophobicContact CG-CB 3.92Å; E65-V270 HydrophobicContact CG-CG1 4.29Å; E65-V270 HydrophobicContact CG-CG2 3.7Å; L66-V270 HydrophobicContact CB-CG1 4.09Å; L66-V270 HydrophobicContact CB-CG2 4.23Å; L66-V270 HydrophobicContact CD1-CG1 3.86Å; Q69-V270 HydrophobicContact CB-CG1 4Å; Q69-V270 VanDerWaalsContact CD-CG1 3.44Å; Q69-V270 HydrophobicContact CG-CG1 3.95Å; T266-V270 HydrophobicContact CG2-CG2 4.34Å; T266-V270 WeakPolarHBondContact O-CG2 3.42Å; T266-V270 PolarHBondContact O-N 3.14Å; S267-V270 PolarHBondContact O-N 3.25Å; R268-V270 PolarHBondContact O-N 3.44Å; V270-L272 VanDerWaalsContact C-N 3.28Å; V270-L272 PolarHBondContact O-N 3.01Å; V270-M273 HydrophobicContact CG2-SD 4.25Å; V270-M273 WeakPolarHBondContact O-CA 3.41Å; V270-M273 WeakPolarHBondContact O-CB 3.25Å; V270-M273 PolarHBondContact O-N 2.82Å; V270-M273 VanDerWaalsContact O-N 3.08Å; V270-L274 HydrophobicContact CG1-CD1 4.39Å; V270-L274 HydrophobicContact CG1-CG 4.48Å; V270-L274 WeakPolarHBondContact O-CG 3.41Å; V270-L274 PolarHBondContact O-N 3.49Å
271R98.4Very high95.7Very high90 Ų9025 Ų2534%0.3413%0.134SC..Hα-helixtrans-57.1-45174.917961.1-179-16510.4111.5E45 S267 R268 C269 L274 I275E45-R271 IonicContact OE1-CZ 2.83Å; E45-R271 VanDerWaalsContact OE1-CZ 3.29Å; E45-R271 IonicContact OE1-NH1 3.91Å; E45-R271 PolarHBondContact OE1-NH1 3.2Å; E45-R271 IonicContact OE1-NH2 3.89Å; E45-R271 PolarHBondContact OE1-NH2 3.39Å; E45-R271 IonicContact OE2-NH2 2.81Å; S267-R271 WeakPolarHBondContact O-CB 3.38Å; S267-R271 PolarHBondContact O-N 3.38Å; R268-R271 PolarHBondContact O-N 2.97Å; C269-R271 VanDerWaalsContact C-N 3.34Å; C269-R271 PolarHBondContact O-N 2.98Å; R271-L274 PolarHBondContact O-N 3.08Å; R271-I275 HydrophobicContact CG-CD1 4.28Å; R271-I275 WeakPolarHBondContact O-CG1 3.49Å; R271-I275 PolarHBondContact O-N 3.1Å; R271-I275 VanDerWaalsContact O-N 3.14Å
272L98.6Very high96.5Very high0 Ų027.9 Ų27.90%014%0.137CC..Hα-helixtrans-67.4-34.7176.4-72.2174.5000112.4L34 R268 C269 V270 I275 S276 I286L34-L272 HydrophobicContact CD1-CB 4.48Å; L34-L272 HydrophobicContact CD1-CD2 4.29Å; L34-L272 WeakPolarHBondContact CD1-O 3.28Å; L34-L272 HydrophobicContact CD2-CB 4.01Å; L34-L272 HydrophobicContact CD2-CD1 4.37Å; L34-L272 HydrophobicContact CD2-CD2 4.16Å; L34-L272 HydrophobicContact CD2-CG 4.41Å; L34-L272 HydrophobicContact CG-CD2 4.13Å; R268-L272 PolarHBondContact O-N 3.03Å; R268-L272 VanDerWaalsContact O-N 3.17Å; C269-L272 WeakPolarHBondContact O-CB 3.4Å; C269-L272 PolarHBondContact O-N 3.43Å; V270-L272 VanDerWaalsContact C-N 3.28Å; V270-L272 PolarHBondContact O-N 3.01Å; L272-I275 HydrophobicContact CD2-CD1 4.22Å; L272-I275 PolarHBondContact O-N 3.39Å; L272-S276 PolarHBondContact O-N 2.99Å; L272-I286 HydrophobicContact CB-CD1 3.82Å; L272-I286 HydrophobicContact CB-CG1 4.13Å; L272-I286 HydrophobicContact CB-CG2 4.27Å; L272-I286 HydrophobicContact CD1-CG2 3.77Å
273M98.7Very high97.3Very high0 Ų028.5 Ų28.50%014%0.14CC..Hα-helixtrans-61-45.5172.1-64.8173.654.700111.9I62 L66 V188 I232 C269 V270 I275 S276 M277 I286I62-M273 HydrophobicContact CG2-CE 3.81Å; I62-M273 HydrophobicContact CG2-SD 3.45Å; I62-M273 WeakPolarHBondContact CG2-SD 3.42Å; L66-M273 HydrophobicContact CD2-CE 4.13Å; V188-M273 HydrophobicContact CG2-CE 3.6Å; I232-M273 HydrophobicContact CD1-CB 3.84Å; I232-M273 HydrophobicContact CD1-CE 3.99Å; I232-M273 HydrophobicContact CD1-CG 3.86Å; I232-M273 HydrophobicContact CG2-CG 3.71Å; I232-M273 HydrophobicContact CG2-SD 4.35Å; C269-M273 VanDerWaalsContact O-CG 3.31Å; C269-M273 WeakPolarHBondContact O-CG 3.38Å; C269-M273 PolarHBondContact O-N 3.09Å; V270-M273 HydrophobicContact CG2-SD 4.25Å; V270-M273 WeakPolarHBondContact O-CA 3.41Å; V270-M273 WeakPolarHBondContact O-CB 3.25Å; V270-M273 PolarHBondContact O-N 2.82Å; V270-M273 VanDerWaalsContact O-N 3.08Å; M273-I275 VanDerWaalsContact C-N 3.32Å; M273-I275 PolarHBondContact O-N 2.84Å; M273-S276 VanDerWaalsContact O-CB 3.31Å; M273-S276 WeakPolarHBondContact O-CB 3.48Å; M273-S276 PolarHBondContact O-N 3.08Å; M273-S276 VanDerWaalsContact O-N 3.14Å; M273-M277 VanDerWaalsContact O-CG 3.26Å; M273-M277 WeakPolarHBondContact O-CG 3.34Å; M273-M277 PolarHBondContact O-N 3.12Å; M273-I286 HydrophobicContact CG-CD1 3.65Å
274L98.8Very high97.8Very high2 Ų228 Ų281%0.0114%0.138CC..Hα-helixtrans-62-40.4177.8-69.4174.5000111.9P44 L48 L66 Q69 L70 L73 V270 R271 S276 M277 A278P44-L274 HydrophobicContact CB-CB 3.98Å; P44-L274 HydrophobicContact CG-CB 3.95Å; L48-L274 HydrophobicContact CD1-CD2 3.74Å; L66-L274 HydrophobicContact CD1-CD2 3.71Å; L66-L274 HydrophobicContact CD1-CG 4.17Å; Q69-L274 HydrophobicContact CB-CD1 3.63Å; L70-L274 HydrophobicContact CD2-CD2 3.46Å; L70-L274 VanDerWaalsContact CD2-CD2 3.46Å; L70-L274 HydrophobicContact CG-CD2 3.94Å; L73-L274 HydrophobicContact CD1-CD1 4.31Å; L73-L274 HydrophobicContact CD1-CD2 4.31Å; V270-L274 HydrophobicContact CG1-CD1 4.39Å; V270-L274 HydrophobicContact CG1-CG 4.48Å; V270-L274 WeakPolarHBondContact O-CG 3.41Å; V270-L274 PolarHBondContact O-N 3.49Å; R271-L274 PolarHBondContact O-N 3.08Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 2.82Å; L274-M277 HydrophobicContact CD2-CE 4.46Å; L274-M277 HydrophobicContact CD2-SD 4.23Å; L274-M277 PolarHBondContact O-N 2.76Å; L274-A278 WeakPolarHBondContact O-CB 3.24Å; L274-A278 PolarHBondContact O-N 2.81Å
275I98.7Very high98Very high7 Ų728.7 Ų28.74%0.03614%0.14CC..Hα-helixtrans-60.1-44.5173.8-69.5161000110.6L34 A37 E38 P44 R271 L272 M273 M277 A278 N279L34-I275 HydrophobicContact CD1-CB 4.38Å; L34-I275 HydrophobicContact CD1-CG2 4.02Å; A37-I275 HydrophobicContact CB-CG2 4.09Å; E38-I275 HydrophobicContact CB-CD1 3.85Å; E38-I275 HydrophobicContact CB-CG2 4.21Å; E38-I275 HydrophobicContact CG-CD1 3.74Å; P44-I275 HydrophobicContact CG-CG1 4.09Å; R271-I275 HydrophobicContact CG-CD1 4.28Å; R271-I275 WeakPolarHBondContact O-CG1 3.49Å; R271-I275 PolarHBondContact O-N 3.1Å; R271-I275 VanDerWaalsContact O-N 3.14Å; L272-I275 HydrophobicContact CD2-CD1 4.22Å; L272-I275 PolarHBondContact O-N 3.39Å; M273-I275 VanDerWaalsContact C-N 3.32Å; M273-I275 PolarHBondContact O-N 2.84Å; I275-M277 PolarHBondContact O-N 2.84Å; I275-A278 PolarHBondContact O-N 2.88Å; I275-N279 WeakPolarHBondContact O-CB 3.09Å; I275-N279 PolarHBondContact O-N 2.77Å; I275-N279 PolarHBondContact O-ND2 3.41Å
276S98.5Very high98.1Very high0 Ų025.5 Ų25.50%012%0.121CC..Hα-helixtrans-59.6-44.6175.1-177.80000112.3L272 M273 L274 N279 D280 L281 V284L272-S276 PolarHBondContact O-N 2.99Å; M273-S276 VanDerWaalsContact O-CB 3.31Å; M273-S276 WeakPolarHBondContact O-CB 3.48Å; M273-S276 PolarHBondContact O-N 3.08Å; M273-S276 VanDerWaalsContact O-N 3.14Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 2.82Å; S276-N279 PolarHBondContact O-N 3.44Å; S276-D280 PolarHBondContact O-N 3.4Å; S276-D280 VanDerWaalsContact O-N 3.08Å; S276-L281 PolarHBondContact O-N 3.06Å; S276-V284 WeakPolarHBondContact OG-CG1 3.26Å
277M98.4Very high98Very high3 Ų324.9 Ų24.92%0.01512%0.117CC..Hα-helixtrans-65.6-38.7179.2-68.316855.200112.7L48 L66 L70 I134 V136 K184 V186 M273 L274 I275 N279L48-M277 HydrophobicContact CD1-CB 4.5Å; L48-M277 HydrophobicContact CD1-CE 4.33Å; L48-M277 HydrophobicContact CD2-CB 4.31Å; L66-M277 HydrophobicContact CD1-SD 4.45Å; L70-M277 HydrophobicContact CD2-CE 4.43Å; I134-M277 HydrophobicContact CD1-CE 3.88Å; I134-M277 HydrophobicContact CG2-CE 4.05Å; V136-M277 HydrophobicContact CG2-CE 4.37Å; K184-M277 PolarHBondContact NZ-O 2.68Å; V186-M277 HydrophobicContact CG1-CG 4.2Å; V186-M277 HydrophobicContact CG2-CG 4.02Å; M273-M277 VanDerWaalsContact O-CG 3.26Å; M273-M277 WeakPolarHBondContact O-CG 3.34Å; M273-M277 PolarHBondContact O-N 3.12Å; L274-M277 HydrophobicContact CD2-CE 4.46Å; L274-M277 HydrophobicContact CD2-SD 4.23Å; L274-M277 PolarHBondContact O-N 2.76Å; I275-M277 PolarHBondContact O-N 2.84Å; M277-N279 VanDerWaalsContact C-N 3.32Å
278A98.4Very high97.8Very high0 Ų025.5 Ų25.50%011%0.113CC..Hα-helixtrans-70.1-30177.200000112.3R42 P44 E47 L274 I275R42-A278 PolarHBondContact NE-O 3.18Å; R42-A278 VanDerWaalsContact NE-O 3.15Å; R42-A278 PolarHBondContact NH1-O 3.36Å; R42-A278 PolarHBondContact NH2-O 3.17Å; P44-A278 HydrophobicContact CB-CB 4.24Å; P44-A278 HydrophobicContact CG-CB 4.01Å; E47-A278 HydrophobicContact CB-CB 3.97Å; E47-A278 HydrophobicContact CG-CB 4.18Å; L274-A278 WeakPolarHBondContact O-CB 3.24Å; L274-A278 PolarHBondContact O-N 2.81Å; I275-A278 PolarHBondContact O-N 2.88Å
279N98.6Very high97.5Very high26 Ų2624.2 Ų24.214%0.13911%0.11CC..Hα-helixtrans-100.72.9-175.7-73.5-83.5000114.4A37 G41 R42 I275 S276 M277 L281A37-N279 HydrophobicContact CB-CB 4.12Å; G41-N279 VanDerWaalsContact CA-OD1 3.28Å; G41-N279 WeakPolarHBondContact CA-OD1 3.15Å; R42-N279 PolarHBondContact N-OD1 3.49Å; R42-N279 VanDerWaalsContact NH2-C 3.3Å; R42-N279 PolarHBondContact NH2-O 2.67Å; R42-N279 PolarHBondContact O-ND2 2.97Å; I275-N279 WeakPolarHBondContact O-CB 3.09Å; I275-N279 PolarHBondContact O-N 2.77Å; I275-N279 PolarHBondContact O-ND2 3.41Å; S276-N279 PolarHBondContact O-N 3.44Å; M277-N279 VanDerWaalsContact C-N 3.32Å; N279-L281 HydrophobicContact CB-CD2 4.05Å; N279-L281 HydrophobicContact CB-CG 3.97Å; N279-L281 PolarHBondContact O-N 2.82Å
280D97.7Very high97.2Very high43 Ų4324.5 Ų24.523%0.2311%0.112CC..THydrogen-bonded Turntrans56.535.7-179.8-58.4-42.3000113.4R42 K184 I228 S276 K282R42-D280 IonicContact CZ-OD2 3.71Å; R42-D280 IonicContact NH1-OD2 3.55Å; R42-D280 PolarHBondContact NH1-OD2 3.31Å; R42-D280 IonicContact NH2-OD2 2.84Å; R42-D280 PolarHBondContact NH2-OD2 3.08Å; K184-D280 WeakPolarHBondContact CD-OD1 3.31Å; K184-D280 WeakPolarHBondContact CE-OD1 3.34Å; K184-D280 IonicContact NZ-OD1 3.25Å; K184-D280 PolarHBondContact NZ-OD1 3.11Å; K184-D280 IonicContact NZ-OD2 2.72Å; I228-D280 HydrophobicContact CD1-CB 4.31Å; I228-D280 HydrophobicContact CG1-CB 4.12Å; I228-D280 HydrophobicContact CG2-CB 4.02Å; S276-D280 PolarHBondContact O-N 3.4Å; S276-D280 VanDerWaalsContact O-N 3.08Å; D280-K282 PolarHBondContact O-N 3.45Å
281L98.1Very high96.8Very high24 Ų2425.5 Ų25.513%0.12612%0.116CC..  trans-69.2130.8-179.7-55.8-175.5000110.2T33 L34 A37 S230 S276 N279 V284T33-L281 HydrophobicContact CG2-CD2 4.16Å; L34-L281 HydrophobicContact CB-CD1 4.36Å; L34-L281 HydrophobicContact CD1-CD1 4.14Å; A37-L281 HydrophobicContact CB-CD1 3.89Å; A37-L281 HydrophobicContact CB-CD2 4.47Å; S230-L281 VanDerWaalsContact CB-O 3.23Å; S230-L281 WeakPolarHBondContact CB-O 3.37Å; S230-L281 PolarHBondContact OG-O 2.94Å; S276-L281 PolarHBondContact O-N 3.06Å; N279-L281 HydrophobicContact CB-CD2 4.05Å; N279-L281 HydrophobicContact CB-CG 3.97Å; N279-L281 PolarHBondContact O-N 2.82Å; L281-V284 HydrophobicContact CB-CG1 3.65Å; L281-V284 HydrophobicContact CD1-CG1 3.53Å; L281-V284 HydrophobicContact CG-CG1 4.24Å
282K97.1Very high96.6Very high141 Ų14121.2 Ų21.261%0.61310%0.1SC*.SBendtrans-74-36.6-173.9-66.3175.7-179.8176.70113.1R218 S230 N231 D280R218-K282 PolarHBondContact NH2-O 3.32Å; S230-K282 CarbonylContact C-O 3.54Å; S230-K282 WeakPolarHBondContact CA-O 3.27Å; N231-K282 PolarHBondContact N-O 3.29Å; D280-K282 PolarHBondContact O-N 3.45Å
283E97.7Very high96.4Very high45 Ų4524.4 Ų24.421%0.2112%0.117CC..EExtended strand (participates in β ladder)trans-149136.8174.5-173.1169.6115.300108.8R211 N231 W285R211-E283 IonicContact CZ-OE1 3.22Å; R211-E283 IonicContact CZ-OE2 2.8Å; R211-E283 IonicContact NE-OE1 3.14Å; R211-E283 IonicContact NE-OE2 2.68Å; R211-E283 PolarHBondContact NE-OE2 3.11Å; R211-E283 IonicContact NH2-OE1 3.09Å; R211-E283 PolarHBondContact NH2-OE1 3.42Å; R211-E283 IonicContact NH2-OE2 3.19Å; R211-E283 PolarHBondContact NH2-OE2 3.33Å; N231-E283 HydrophobicContact CB-CB 4.39Å; N231-E283 HydrophobicContact CB-CG 4.07Å; N231-E283 CarbonylContact O-C 3.29Å; N231-E283 VanDerWaalsContact O-CA 3.22Å; N231-E283 WeakPolarHBondContact O-CA 3.09Å; E283-W285 PolarHBondContact OE1-NE1 2.75Å
284V98.2Very high96Very high0 Ų025.2 Ų25.20%012%0.122CC..EExtended strand (participates in β ladder)trans-135.9141.7175.5-63.10000110.9D31 L34 N231 I232 C233 S276 L281 I286D31-V284 WeakPolarHBondContact OD2-CA 3.43Å; L34-V284 HydrophobicContact CB-CB 4.25Å; L34-V284 HydrophobicContact CB-CG1 3.99Å; L34-V284 HydrophobicContact CD1-CG1 4.26Å; L34-V284 HydrophobicContact CD2-CB 4.05Å; L34-V284 HydrophobicContact CD2-CG1 4.49Å; L34-V284 HydrophobicContact CG-CG1 4.47Å; N231-V284 PolarHBondContact O-N 3.13Å; I232-V284 HydrophobicContact CB-CG2 4.18Å; I232-V284 HydrophobicContact CG1-CG2 3.96Å; I232-V284 HydrophobicContact CG2-CG2 4.06Å; C233-V284 WeakPolarHBondContact CB-O 3.41Å; C233-V284 PolarHBondContact N-O 3.27Å; S276-V284 WeakPolarHBondContact OG-CG1 3.26Å; L281-V284 HydrophobicContact CB-CG1 3.65Å; L281-V284 HydrophobicContact CD1-CG1 3.53Å; L281-V284 HydrophobicContact CG-CG1 4.24Å; V284-I286 HydrophobicContact CG2-CD1 4.26Å; V284-I286 HydrophobicContact CG2-CG1 4.29Å
285W98Very high95.8Very high15 Ų1525.1 Ų25.16%0.05712%0.121CC..EExtended strand (participates in β ladder)trans-109.9113.8176.2-51.4-14.4000108.4G30 D31 I194 E283 L292 T295 Y296 Q299 Y300G30-W285 CarbonylContact C-O 3.55Å; G30-W285 WeakPolarHBondContact CA-O 2.98Å; D31-W285 HydrophobicContact CB-CB 4.21Å; D31-W285 PolarHBondContact N-O 3.33Å; D31-W285 PolarHBondContact OD2-N 3.29Å; I194-W285 HydrophobicContact CD1-CD2 4.16Å; I194-W285 HydrophobicContact CD1-CG 4.17Å; I194-W285 HydrophobicContact CD1-CZ2 4.11Å; E283-W285 PolarHBondContact OE1-NE1 2.75Å; W285-L292 HydrophobicContact CB-CD1 4.16Å; W285-L292 HydrophobicContact CE3-CD1 4.32Å; W285-T295 HydrophobicContact CD2-CG2 3.82Å; W285-T295 HydrophobicContact CE3-CG2 3.58Å; W285-T295 HydrophobicContact CG-CG2 4.48Å; W285-T295 HydrophobicContact CH2-CG2 4.13Å; W285-T295 HydrophobicContact CZ2-CG2 4.35Å; W285-T295 HydrophobicContact CZ3-CG2 3.74Å; W285-Y296 HydrophobicContact CE3-CD2 4.25Å; W285-Y296 HydrophobicContact CE3-CE1 4.31Å; W285-Y296 AromaticContact CE3-CE2 3.99Å; W285-Y296 HydrophobicContact CE3-CE2 3.99Å; W285-Y296 HydrophobicContact CH2-CD1 4.25Å; W285-Y296 HydrophobicContact CH2-CE1 4.28Å; W285-Y296 AromaticContact CZ3-CD1 3.6Å; W285-Y296 HydrophobicContact CZ3-CD1 3.6Å; W285-Y296 AromaticContact CZ3-CD2 3.91Å; W285-Y296 HydrophobicContact CZ3-CD2 3.91Å; W285-Y296 AromaticContact CZ3-CE1 3.61Å; W285-Y296 HydrophobicContact CZ3-CE1 3.61Å; W285-Y296 AromaticContact CZ3-CE2 3.93Å; W285-Y296 HydrophobicContact CZ3-CE2 3.93Å; W285-Y296 AromaticContact CZ3-CG 3.75Å; W285-Y296 HydrophobicContact CZ3-CG 3.75Å; W285-Y296 AromaticContact CZ3-CZ 3.78Å; W285-Q299 HydrophobicContact CH2-CB 4Å; W285-Q299 HydrophobicContact CH2-CG 4.02Å; W285-Q299 HydrophobicContact CZ2-CG 4.32Å; W285-Y300 HydrophobicContact CH2-CE2 4.14Å
286I97.9Very high95.6Very high0 Ų027.3 Ų27.30%013%0.129CC..EExtended strand (participates in β ladder)trans-107.193.9-175.9-60.7173.6000107.7L34 I232 C233 P234 G235 M264 C269 L272 M273 V284L34-I286 HydrophobicContact CD2-CD1 4.3Å; L34-I286 HydrophobicContact CD2-CG1 3.57Å; I232-I286 HydrophobicContact CG2-CD1 3.66Å; C233-I286 PolarHBondContact O-N 3.47Å; P234-I286 CarbonylContact C-O 3.49Å; P234-I286 WeakPolarHBondContact CA-O 3.43Å; G235-I286 PolarHBondContact N-O 3.15Å; M264-I286 HydrophobicContact CE-CG2 3.76Å; M264-I286 HydrophobicContact SD-CG2 3.57Å; M264-I286 VanDerWaalsContact SD-CG2 3.57Å; C269-I286 HydrophobicContact CB-CG2 4.29Å; L272-I286 HydrophobicContact CB-CD1 3.82Å; L272-I286 HydrophobicContact CB-CG1 4.13Å; L272-I286 HydrophobicContact CB-CG2 4.27Å; L272-I286 HydrophobicContact CD1-CG2 3.77Å; M273-I286 HydrophobicContact CG-CD1 3.65Å; V284-I286 HydrophobicContact CG2-CD1 4.26Å; V284-I286 HydrophobicContact CG2-CG1 4.29Å
287S95.2Very high95.4Very high3 Ų328.7 Ų28.72%0.02114%0.137CC..  trans-156.5141.2-174.6-160.70000111.9D29 F291D29-S287 CarbonylContact C-O 3.56Å; D29-S287 VanDerWaalsContact CA-O 3.31Å; D29-S287 WeakPolarHBondContact CA-O 3.3Å; D29-S287 CarbonylContact O-C 3.56Å; D29-S287 PolarHBondContact O-N 2.94Å; S287-F291 VanDerWaalsContact OG-CB 3.24Å; S287-F291 WeakPolarHBondContact OG-CB 3.37Å
288Q93.3Very high95.1Very high73 Ų7330.3 Ų30.334%0.34114%0.143SC..  trans-79159.8170.5-68.7177.4-38.800111D29 M264 F291 L292D29-Q288 HydrophobicContact CB-CG 4.02Å; M264-Q288 HydrophobicContact CB-CG 4.31Å; M264-Q288 HydrophobicContact CE-CG 3.95Å; Q288-F291 PolarHBondContact O-N 3.45Å; Q288-F291 VanDerWaalsContact O-N 3.09Å; Q288-L292 PolarHBondContact O-N 2.89Å
289Q91.3Very high94.9Very high36 Ų3633.8 Ų33.817%0.16816%0.159CC..THydrogen-bonded Turntrans-63145168.6-61.5-64.63.900111.2F25F25-Q289 PolarHBondContact O-NE2 2.92Å
290P90.6Very high94.7Very high7 Ų740.1 Ų40.15%0.04518%0.182CC..THydrogen-bonded Turncis-89.2-1534.9-36000115.2L292 L293 V294 F334P290-L292 VanDerWaalsContact C-N 3.34Å; P290-L292 PolarHBondContact O-N 3.38Å; P290-L293 PolarHBondContact O-N 3.44Å; P290-V294 WeakPolarHBondContact O-CG2 3.41Å; P290-V294 PolarHBondContact O-N 2.96Å; P290-F334 HydrophobicContact CB-CD2 4.04Å; P290-F334 HydrophobicContact CB-CE2 3.49Å; P290-F334 VanDerWaalsContact CB-CE2 3.49Å; P290-F334 HydrophobicContact CB-CZ 4.11Å; P290-F334 HydrophobicContact CG-CD2 3.95Å; P290-F334 HydrophobicContact CG-CE2 3.78Å
291F91.5Very high94.6Very high20 Ų2042.2 Ų42.29%0.08819%0.192CC..Hα-helixtrans-64.6-39-172.7-71.1-86.9000112.1I191 P236 S287 Q288 L293 V294 T295 Y330 F331I191-F291 HydrophobicContact CD1-CB 3.93Å; I191-F291 HydrophobicContact CD1-CD1 4.12Å; I191-F291 HydrophobicContact CD1-CG 4.39Å; P236-F291 HydrophobicContact CG-CD1 4.11Å; P236-F291 HydrophobicContact CG-CD2 3.92Å; P236-F291 HydrophobicContact CG-CE1 4.03Å; P236-F291 HydrophobicContact CG-CE2 3.89Å; P236-F291 HydrophobicContact CG-CG 4.04Å; P236-F291 HydrophobicContact CG-CZ 3.9Å; S287-F291 VanDerWaalsContact OG-CB 3.24Å; S287-F291 WeakPolarHBondContact OG-CB 3.37Å; Q288-F291 PolarHBondContact O-N 3.45Å; Q288-F291 VanDerWaalsContact O-N 3.09Å; F291-L293 PolarHBondContact O-N 2.95Å; F291-V294 PolarHBondContact O-N 3.46Å; F291-T295 PolarHBondContact O-N 3.35Å; F291-T295 PolarHBondContact O-OG1 3.42Å; F291-Y330 HydrophobicContact CE1-CD1 4.31Å; F291-Y330 HydrophobicContact CE1-CD2 4.21Å; F291-Y330 HydrophobicContact CE1-CG 4.06Å; F291-Y330 HydrophobicContact CE2-CG 4.27Å; F291-Y330 VanDerWaalsContact CZ-CB 3.41Å; F291-Y330 HydrophobicContact CZ-CD1 4.16Å; F291-Y330 AromaticContact CZ-CD2 3.72Å; F291-Y330 HydrophobicContact CZ-CD2 3.72Å; F291-Y330 AromaticContact CZ-CG 3.51Å; F291-Y330 HydrophobicContact CZ-CG 3.51Å; F291-F331 HydrophobicContact CD2-CE1 4.18Å; F291-F331 HydrophobicContact CD2-CE2 4.43Å; F291-F331 AromaticContact CD2-CZ 3.85Å; F291-F331 HydrophobicContact CD2-CZ 3.85Å; F291-F331 HydrophobicContact CE2-CD2 4.16Å; F291-F331 AromaticContact CE2-CE1 3.81Å; F291-F331 HydrophobicContact CE2-CE1 3.81Å; F291-F331 AromaticContact CE2-CE2 3.39Å; F291-F331 HydrophobicContact CE2-CE2 3.39Å; F291-F331 AromaticContact CE2-CZ 3.21Å; F291-F331 HydrophobicContact CE2-CZ 3.21Å; F291-F331 AromaticContact CZ-CE2 3.89Å; F291-F331 HydrophobicContact CZ-CE2 3.89Å; F291-F331 HydrophobicContact CZ-CZ 4.1Å
292L94.2Very high94.2Very high0 Ų044.2 Ų44.20%021%0.206CC..Hα-helixtrans-57.1-49.9174.8-175.762.5000112.1F25 A28 G30 W285 Q288 P290 V294 T295 Y296F25-L292 HydrophobicContact CE2-CD2 4.18Å; F25-L292 HydrophobicContact CE2-CG 4.38Å; A28-L292 HydrophobicContact CB-CD2 3.83Å; G30-L292 VanDerWaalsContact O-CD2 3.31Å; G30-L292 WeakPolarHBondContact O-CD2 3.45Å; W285-L292 HydrophobicContact CB-CD1 4.16Å; W285-L292 HydrophobicContact CE3-CD1 4.32Å; Q288-L292 PolarHBondContact O-N 2.89Å; P290-L292 VanDerWaalsContact C-N 3.34Å; P290-L292 PolarHBondContact O-N 3.38Å; L292-V294 VanDerWaalsContact C-N 3.34Å; L292-V294 PolarHBondContact O-N 3.23Å; L292-T295 WeakPolarHBondContact O-CB 3.3Å; L292-T295 PolarHBondContact O-N 2.8Å; L292-Y296 HydrophobicContact CD1-CD2 4.28Å; L292-Y296 HydrophobicContact CD1-CE2 3.83Å; L292-Y296 HydrophobicContact CG-CD2 4.19Å; L292-Y296 HydrophobicContact CG-CE2 3.96Å; L292-Y296 VanDerWaalsContact O-CD2 3.3Å; L292-Y296 WeakPolarHBondContact O-CD2 3.47Å; L292-Y296 PolarHBondContact O-N 3.26Å; L292-Y296 VanDerWaalsContact O-N 3.08Å
293L92.9Very high94Very high68 Ų6842.8 Ų42.836%0.35621%0.209SC..Hα-helixtrans-59.6-43.5175.5172.961.5000111.9F25 P290 F291 T295 Y296 L297F25-L293 HydrophobicContact CE1-CB 4.27Å; F25-L293 HydrophobicContact CE1-CD1 4.05Å; F25-L293 HydrophobicContact CZ-CB 4.3Å; F25-L293 HydrophobicContact CZ-CD1 4.3Å; P290-L293 PolarHBondContact O-N 3.44Å; F291-L293 PolarHBondContact O-N 2.95Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 2.87Å; L293-Y296 PolarHBondContact O-N 3.47Å; L293-L297 HydrophobicContact CD1-CD1 4.24Å; L293-L297 HydrophobicContact CD1-CG 4.1Å; L293-L297 HydrophobicContact CG-CD1 4.13Å; L293-L297 HydrophobicContact CG-CG 4.42Å; L293-L297 WeakPolarHBondContact O-CG 3.43Å; L293-L297 PolarHBondContact O-N 3.04Å
294V91.5Very high93.6Very high17 Ų1747.8 Ų47.810%0.10323%0.226CC..Hα-helixtrans-60.7-39177.21730000111I195 P290 F291 L292 L297 W298 T309I195-V294 HydrophobicContact CD1-CG1 4.14Å; P290-V294 WeakPolarHBondContact O-CG2 3.41Å; P290-V294 PolarHBondContact O-N 2.96Å; F291-V294 PolarHBondContact O-N 3.46Å; L292-V294 VanDerWaalsContact C-N 3.34Å; L292-V294 PolarHBondContact O-N 3.23Å; V294-L297 PolarHBondContact O-N 3.42Å; V294-W298 WeakPolarHBondContact O-CB 3.42Å; V294-W298 VanDerWaalsContact O-CD1 3.32Å; V294-W298 PolarHBondContact O-N 2.75Å; V294-T309 HydrophobicContact CG1-CG2 4.28Å
295T94.1Very high93.2Very high0 Ų047.8 Ų47.80%023%0.227CC..Hα-helixtrans-61.8-45.2174.9-56.50000112I194 I195 W285 F291 L292 L293 L297 W298 Q299I194-T295 HydrophobicContact CB-CG2 4.26Å; I194-T295 HydrophobicContact CD1-CG2 3.9Å; I194-T295 HydrophobicContact CG2-CG2 3.94Å; I195-T295 HydrophobicContact CG2-CG2 4.29Å; W285-T295 HydrophobicContact CD2-CG2 3.82Å; W285-T295 HydrophobicContact CE3-CG2 3.58Å; W285-T295 HydrophobicContact CG-CG2 4.48Å; W285-T295 HydrophobicContact CH2-CG2 4.13Å; W285-T295 HydrophobicContact CZ2-CG2 4.35Å; W285-T295 HydrophobicContact CZ3-CG2 3.74Å; F291-T295 PolarHBondContact O-N 3.35Å; F291-T295 PolarHBondContact O-OG1 3.42Å; L292-T295 WeakPolarHBondContact O-CB 3.3Å; L292-T295 PolarHBondContact O-N 2.8Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 2.87Å; T295-L297 PolarHBondContact O-N 3.29Å; T295-W298 PolarHBondContact O-N 2.91Å; T295-Q299 WeakPolarHBondContact O-CB 3.36Å; T295-Q299 PolarHBondContact O-N 2.6Å
296Y94.7Very high92.6Very high52 Ų5254.1 Ų54.120%0.20425%0.251CS..Hα-helixtrans-60.1-45.6173.4-82.7-75000112.4F25 D31 W285 L292 L293 W298 Q299 Y300F25-Y296 AromaticContact CE2-CD2 3.84Å; F25-Y296 HydrophobicContact CE2-CD2 3.84Å; F25-Y296 AromaticContact CE2-CE2 3.69Å; F25-Y296 HydrophobicContact CE2-CE2 3.69Å; F25-Y296 AromaticContact CZ-CD2 3.9Å; F25-Y296 HydrophobicContact CZ-CD2 3.9Å; F25-Y296 HydrophobicContact CZ-CE2 4.24Å; D31-Y296 WeakPolarHBondContact CB-OH 3.31Å; W285-Y296 HydrophobicContact CE3-CD2 4.25Å; W285-Y296 HydrophobicContact CE3-CE1 4.31Å; W285-Y296 AromaticContact CE3-CE2 3.99Å; W285-Y296 HydrophobicContact CE3-CE2 3.99Å; W285-Y296 HydrophobicContact CH2-CD1 4.25Å; W285-Y296 HydrophobicContact CH2-CE1 4.28Å; W285-Y296 AromaticContact CZ3-CD1 3.6Å; W285-Y296 HydrophobicContact CZ3-CD1 3.6Å; W285-Y296 AromaticContact CZ3-CD2 3.91Å; W285-Y296 HydrophobicContact CZ3-CD2 3.91Å; W285-Y296 AromaticContact CZ3-CE1 3.61Å; W285-Y296 HydrophobicContact CZ3-CE1 3.61Å; W285-Y296 AromaticContact CZ3-CE2 3.93Å; W285-Y296 HydrophobicContact CZ3-CE2 3.93Å; W285-Y296 AromaticContact CZ3-CG 3.75Å; W285-Y296 HydrophobicContact CZ3-CG 3.75Å; W285-Y296 AromaticContact CZ3-CZ 3.78Å; L292-Y296 HydrophobicContact CD1-CD2 4.28Å; L292-Y296 HydrophobicContact CD1-CE2 3.83Å; L292-Y296 HydrophobicContact CG-CD2 4.19Å; L292-Y296 HydrophobicContact CG-CE2 3.96Å; L292-Y296 VanDerWaalsContact O-CD2 3.3Å; L292-Y296 WeakPolarHBondContact O-CD2 3.47Å; L292-Y296 PolarHBondContact O-N 3.26Å; L292-Y296 VanDerWaalsContact O-N 3.08Å; L293-Y296 PolarHBondContact O-N 3.47Å; Y296-W298 VanDerWaalsContact C-N 3.33Å; Y296-W298 PolarHBondContact O-N 3.33Å; Y296-Q299 PolarHBondContact O-N 3.41Å; Y296-Y300 AromaticContact CD1-CD2 3.94Å; Y296-Y300 HydrophobicContact CD1-CD2 3.94Å; Y296-Y300 AromaticContact CD1-CE2 3.7Å; Y296-Y300 HydrophobicContact CD1-CE2 3.7Å; Y296-Y300 HydrophobicContact CE1-CE2 4.15Å; Y296-Y300 WeakPolarHBondContact O-CD2 3.37Å; Y296-Y300 PolarHBondContact O-N 3.41Å
297L93.8Very high92.1Very high30 Ų3060.8 Ų60.816%0.15728%0.276CS..Hα-helixtrans-62.8-39.8178.7-69.6175.8000111.7L293 V294 T295 M301 A305 I308L293-L297 HydrophobicContact CD1-CD1 4.24Å; L293-L297 HydrophobicContact CD1-CG 4.1Å; L293-L297 HydrophobicContact CG-CD1 4.13Å; L293-L297 HydrophobicContact CG-CG 4.42Å; L293-L297 WeakPolarHBondContact O-CG 3.43Å; L293-L297 PolarHBondContact O-N 3.04Å; V294-L297 PolarHBondContact O-N 3.42Å; T295-L297 PolarHBondContact O-N 3.29Å; L297-M301 HydrophobicContact CD2-CB 4.13Å; L297-M301 HydrophobicContact CD2-CG 4.47Å; L297-M301 HydrophobicContact CD2-SD 3.82Å; L297-M301 CarbonylContact O-C 3.47Å; L297-M301 WeakPolarHBondContact O-CA 3.39Å; L297-M301 PolarHBondContact O-N 3.23Å; L297-A305 HydrophobicContact CB-CB 4.11Å; L297-I308 HydrophobicContact CD1-CD1 3.61Å
298W92.7Very high91.7Very high36 Ų3662.8 Ų62.814%0.13629%0.286CS..Hα-helixtrans-63.5-44175.3-95.272.3000112.5I195 V294 T295 Y296 A305 W306 T309I195-W298 HydrophobicContact CB-CB 4.26Å; I195-W298 HydrophobicContact CB-CD2 3.71Å; I195-W298 HydrophobicContact CB-CE3 3.98Å; I195-W298 HydrophobicContact CB-CG 3.82Å; I195-W298 HydrophobicContact CG2-CB 3.37Å; I195-W298 HydrophobicContact CG2-CD2 3.84Å; I195-W298 HydrophobicContact CG2-CE3 4.27Å; I195-W298 HydrophobicContact CG2-CG 3.42Å; I195-W298 VanDerWaalsContact CG2-CG 3.42Å; V294-W298 WeakPolarHBondContact O-CB 3.42Å; V294-W298 VanDerWaalsContact O-CD1 3.32Å; V294-W298 PolarHBondContact O-N 2.75Å; T295-W298 PolarHBondContact O-N 2.91Å; Y296-W298 VanDerWaalsContact C-N 3.33Å; Y296-W298 PolarHBondContact O-N 3.33Å; W298-A305 VanDerWaalsContact CA-CB 3.48Å; W298-A305 HydrophobicContact CB-CB 4.16Å; W298-A305 HydrophobicContact CD2-CB 4.34Å; W298-A305 HydrophobicContact CG-CB 3.68Å; W298-W306 HydrophobicContact CH2-CD2 4.46Å; W298-W306 HydrophobicContact CH2-CE3 4.13Å; W298-W306 AromaticContact CH2-CH2 3.3Å; W298-W306 HydrophobicContact CH2-CH2 3.3Å; W298-W306 AromaticContact CH2-CZ2 3.65Å; W298-W306 HydrophobicContact CH2-CZ2 3.65Å; W298-W306 AromaticContact CH2-CZ3 3.56Å; W298-W306 HydrophobicContact CH2-CZ3 3.56Å; W298-W306 HydrophobicContact CZ2-CD2 4.46Å; W298-W306 HydrophobicContact CZ2-CE3 4.07Å; W298-W306 HydrophobicContact CZ2-CH2 4.07Å; W298-W306 HydrophobicContact CZ2-CZ2 4.42Å; W298-W306 AromaticContact CZ2-CZ3 3.87Å; W298-W306 HydrophobicContact CZ2-CZ3 3.87Å; W298-W306 AromaticContact CZ3-CH2 3.95Å; W298-W306 HydrophobicContact CZ3-CH2 3.95Å; W298-W306 AromaticContact CZ3-CZ2 3.88Å; W298-W306 HydrophobicContact CZ3-CZ2 3.88Å; W298-T309 HydrophobicContact CZ2-CG2 4.02Å
299Q93.8Very high91.2Very high73 Ų7360.6 Ų60.634%0.34128%0.277SS..Hα-helixtrans-71.9-33.7-175-17558.97500112.8W285 T295 Y296W285-Q299 HydrophobicContact CH2-CB 4Å; W285-Q299 HydrophobicContact CH2-CG 4.02Å; W285-Q299 HydrophobicContact CZ2-CG 4.32Å; T295-Q299 WeakPolarHBondContact O-CB 3.36Å; T295-Q299 PolarHBondContact O-N 2.6Å; Y296-Q299 PolarHBondContact O-N 3.41Å
300Y94.6Very high90.8Very high159 Ų15962.6 Ų62.662%0.62430%0.295SS*.Hα-helixtrans-121.1-18.7-170.8-58.4-67.9000114.9W285 Y296W285-Y300 HydrophobicContact CH2-CE2 4.14Å; Y296-Y300 AromaticContact CD1-CD2 3.94Å; Y296-Y300 HydrophobicContact CD1-CD2 3.94Å; Y296-Y300 AromaticContact CD1-CE2 3.7Å; Y296-Y300 HydrophobicContact CD1-CE2 3.7Å; Y296-Y300 HydrophobicContact CE1-CE2 4.15Å; Y296-Y300 WeakPolarHBondContact O-CD2 3.37Å; Y296-Y300 PolarHBondContact O-N 3.41Å
301M94.6Very high90.4Very high88 Ų8868.4 Ų68.443%0.43332%0.32SS..  trans-138.158.4-174.8-62.5-178.169.100111.9L297 T303 W304 A305L297-M301 HydrophobicContact CD2-CB 4.13Å; L297-M301 HydrophobicContact CD2-CG 4.47Å; L297-M301 HydrophobicContact CD2-SD 3.82Å; L297-M301 CarbonylContact O-C 3.47Å; L297-M301 WeakPolarHBondContact O-CA 3.39Å; L297-M301 PolarHBondContact O-N 3.23Å; M301-T303 VanDerWaalsContact C-N 3.31Å; M301-T303 PolarHBondContact O-N 3.03Å; M301-T303 VanDerWaalsContact O-N 3.15Å; M301-W304 HydrophobicContact CB-CB 4.49Å; M301-W304 VanDerWaalsContact CE-CD1 3.47Å; M301-W304 HydrophobicContact CE-CG 4.19Å; M301-W304 PolarHBondContact O-N 2.95Å; M301-A305 PolarHBondContact O-N 3.02Å; M301-A305 VanDerWaalsContact O-N 3.1Å
302P90.9Very high90Very high65 Ų6568.9 Ų68.942%0.42232%0.323SS..Hα-helixtrans-57.3-37.8-166.821.2-33.6000113.7W304 A305 W306P302-W304 VanDerWaalsContact C-N 3.31Å; P302-W304 PolarHBondContact O-N 2.85Å; P302-A305 WeakPolarHBondContact O-CB 3.39Å; P302-A305 PolarHBondContact O-N 3.19Å; P302-A305 VanDerWaalsContact O-N 3.16Å; P302-W306 PolarHBondContact O-N 3.04Å
303T91.9Very high89.5Confident112 Ų11269.1 Ų69.169%0.68733%0.326SS*.Hα-helixtrans-55-46.1177.5-510000112.3M301 W307M301-T303 VanDerWaalsContact C-N 3.31Å; M301-T303 PolarHBondContact O-N 3.03Å; M301-T303 VanDerWaalsContact O-N 3.15Å; T303-W307 PolarHBondContact O-N 3.01Å
304W89.2Confident89.1Confident149 Ų14972.6 Ų72.656%0.56434%0.338SS*.Hα-helixtrans-72.4-38.7178.5-65.499.8000111.4M301 P302 W306 W307 I308M301-W304 HydrophobicContact CB-CB 4.49Å; M301-W304 VanDerWaalsContact CE-CD1 3.47Å; M301-W304 HydrophobicContact CE-CG 4.19Å; M301-W304 PolarHBondContact O-N 2.95Å; P302-W304 VanDerWaalsContact C-N 3.31Å; P302-W304 PolarHBondContact O-N 2.85Å; W304-W306 PolarHBondContact O-N 3.25Å; W304-W307 PolarHBondContact O-N 2.91Å; W304-I308 WeakPolarHBondContact O-CG1 3.26Å; W304-I308 PolarHBondContact O-N 2.97Å
305A89.6Confident88.7Confident1 Ų176.5 Ų76.51%0.00835%0.353CS..Hα-helixtrans-59.7-43.6176.400000112.5L297 W298 M301 P302 I308 T309L297-A305 HydrophobicContact CB-CB 4.11Å; W298-A305 VanDerWaalsContact CA-CB 3.48Å; W298-A305 HydrophobicContact CB-CB 4.16Å; W298-A305 HydrophobicContact CD2-CB 4.34Å; W298-A305 HydrophobicContact CG-CB 3.68Å; M301-A305 PolarHBondContact O-N 3.02Å; M301-A305 VanDerWaalsContact O-N 3.1Å; P302-A305 WeakPolarHBondContact O-CB 3.39Å; P302-A305 PolarHBondContact O-N 3.19Å; P302-A305 VanDerWaalsContact O-N 3.16Å; A305-I308 PolarHBondContact O-N 3.12Å; A305-T309 WeakPolarHBondContact O-CB 3.34Å; A305-T309 WeakPolarHBondContact O-CG2 3.17Å; A305-T309 PolarHBondContact O-N 2.98Å; A305-T309 PolarHBondContact O-OG1 3.07Å
306W87.4Confident88.2Confident148 Ų14876.9 Ų76.956%0.56136%0.355SS*.Hα-helixtrans-65.7-39.8175.7-73.8119000112.6W298 P302 W304 T309 S310W298-W306 HydrophobicContact CH2-CD2 4.46Å; W298-W306 HydrophobicContact CH2-CE3 4.13Å; W298-W306 AromaticContact CH2-CH2 3.3Å; W298-W306 HydrophobicContact CH2-CH2 3.3Å; W298-W306 AromaticContact CH2-CZ2 3.65Å; W298-W306 HydrophobicContact CH2-CZ2 3.65Å; W298-W306 AromaticContact CH2-CZ3 3.56Å; W298-W306 HydrophobicContact CH2-CZ3 3.56Å; W298-W306 HydrophobicContact CZ2-CD2 4.46Å; W298-W306 HydrophobicContact CZ2-CE3 4.07Å; W298-W306 HydrophobicContact CZ2-CH2 4.07Å; W298-W306 HydrophobicContact CZ2-CZ2 4.42Å; W298-W306 AromaticContact CZ2-CZ3 3.87Å; W298-W306 HydrophobicContact CZ2-CZ3 3.87Å; W298-W306 AromaticContact CZ3-CH2 3.95Å; W298-W306 HydrophobicContact CZ3-CH2 3.95Å; W298-W306 AromaticContact CZ3-CZ2 3.88Å; W298-W306 HydrophobicContact CZ3-CZ2 3.88Å; P302-W306 PolarHBondContact O-N 3.04Å; W304-W306 PolarHBondContact O-N 3.25Å; W306-T309 WeakPolarHBondContact CA-OG1 3.33Å; W306-T309 PolarHBondContact O-N 2.68Å; W306-T309 PolarHBondContact O-OG1 3.17Å; W306-S310 VanDerWaalsContact O-CB 3.31Å; W306-S310 WeakPolarHBondContact O-CB 3.35Å; W306-S310 PolarHBondContact O-N 3.39Å; W306-S310 PolarHBondContact O-OG 3.47Å
307W86.8Confident87.7Confident139 Ų13976.5 Ų76.553%0.52736%0.356SS..Hα-helixtrans-62.5-42.7175.5179.482.2000112.4T303 W304 S310 K311T303-W307 PolarHBondContact O-N 3.01Å; W304-W307 PolarHBondContact O-N 2.91Å; W307-S310 PolarHBondContact O-OG 3Å; W307-K311 HydrophobicContact CZ2-CD 4.43Å
308I85.5Confident87.4Confident46 Ų4679.8 Ų79.824%0.23637%0.37CS..Hα-helixtrans-68.8-48.2176.9-66.1176.1000110.8L297 W304 A305 S310 K311 M312L297-I308 HydrophobicContact CD1-CD1 3.61Å; W304-I308 WeakPolarHBondContact O-CG1 3.26Å; W304-I308 PolarHBondContact O-N 2.97Å; A305-I308 PolarHBondContact O-N 3.12Å; I308-S310 PolarHBondContact O-N 3.01Å; I308-K311 PolarHBondContact O-N 3.42Å; I308-M312 HydrophobicContact CG2-CG 4.25Å; I308-M312 HydrophobicContact CG2-SD 3.48Å; I308-M312 WeakPolarHBondContact CG2-SD 3.44Å; I308-M312 WeakPolarHBondContact O-CG 3.47Å; I308-M312 PolarHBondContact O-N 3.2Å
309T83.3Confident86.9Confident26 Ų2679.3 Ų79.316%0.1637%0.37CS..Hα-helixtrans-70-32.4-173.949.50000113.5V294 W298 A305 W306 M312 G313V294-T309 HydrophobicContact CG1-CG2 4.28Å; W298-T309 HydrophobicContact CZ2-CG2 4.02Å; A305-T309 WeakPolarHBondContact O-CB 3.34Å; A305-T309 WeakPolarHBondContact O-CG2 3.17Å; A305-T309 PolarHBondContact O-N 2.98Å; A305-T309 PolarHBondContact O-OG1 3.07Å; W306-T309 WeakPolarHBondContact CA-OG1 3.33Å; W306-T309 PolarHBondContact O-N 2.68Å; W306-T309 PolarHBondContact O-OG1 3.17Å; T309-M312 PolarHBondContact O-N 3.26Å; T309-G313 WeakPolarHBondContact O-CA 3.31Å; T309-G313 PolarHBondContact O-N 2.67Å
310S83.3Confident86.3Confident79 Ų7979 Ų7955%0.55237%0.368SS*.Hα-helixtrans-61.2-43.4172.755.40000112W306 W307 I308W306-S310 VanDerWaalsContact O-CB 3.31Å; W306-S310 WeakPolarHBondContact O-CB 3.35Å; W306-S310 PolarHBondContact O-N 3.39Å; W306-S310 PolarHBondContact O-OG 3.47Å; W307-S310 PolarHBondContact O-OG 3Å; I308-S310 PolarHBondContact O-N 3.01Å
311K82.9Confident85.7Confident129 Ų12978.8 Ų78.856%0.56137%0.37SS*.Hα-helixtrans-64.3-47.5175.2-72.8-175.6174.7-175.60112.3W307 I308W307-K311 HydrophobicContact CZ2-CD 4.43Å; I308-K311 PolarHBondContact O-N 3.42Å
312M82.6Confident85Confident29 Ų2978.2 Ų78.214%0.14338%0.375CS..Hα-helixtrans-71.1-33-178.4-64.4175.5118.200112.7I308 T309 K314 K315 R316 Y330 I333I308-M312 HydrophobicContact CG2-CG 4.25Å; I308-M312 HydrophobicContact CG2-SD 3.48Å; I308-M312 WeakPolarHBondContact CG2-SD 3.44Å; I308-M312 WeakPolarHBondContact O-CG 3.47Å; I308-M312 PolarHBondContact O-N 3.2Å; T309-M312 PolarHBondContact O-N 3.26Å; M312-K314 VanDerWaalsContact C-N 3.33Å; M312-K314 PolarHBondContact O-N 3.45Å; M312-K315 PolarHBondContact O-N 3.08Å; M312-R316 PolarHBondContact O-N 3.42Å; M312-Y330 HydrophobicContact CB-CD1 4.36Å; M312-Y330 HydrophobicContact CB-CE1 3.49Å; M312-Y330 VanDerWaalsContact CB-CE1 3.49Å; M312-Y330 HydrophobicContact CE-CD1 3.26Å; M312-Y330 HydrophobicContact CE-CE1 3.71Å; M312-Y330 HydrophobicContact CE-CG 4.34Å; M312-Y330 HydrophobicContact CG-CD1 4.44Å; M312-Y330 HydrophobicContact CG-CE1 3.97Å; M312-Y330 HydrophobicContact SD-CD1 3.73Å; M312-Y330 HydrophobicContact SD-CE1 3.51Å; M312-Y330 VanDerWaalsContact SD-CE1 3.51Å; M312-I333 HydrophobicContact CE-CD1 4.29Å
313G83.2Confident84.2Confident6 Ų678.2 Ų78.26%0.06239%0.387CS..Hα-helixtrans-62.9-38.4-176.100000112.8T309 K315 R316 I317T309-G313 WeakPolarHBondContact O-CA 3.31Å; T309-G313 PolarHBondContact O-N 2.67Å; G313-K315 VanDerWaalsContact C-N 3.34Å; G313-K315 PolarHBondContact O-N 3.41Å; G313-R316 PolarHBondContact O-N 3.06Å; G313-I317 WeakPolarHBondContact O-CG1 3.38Å; G313-I317 PolarHBondContact O-N 3.29Å
314K84.8Confident83.3Confident141 Ų14176.4 Ų76.461%0.61338%0.375SS*.Hα-helixtrans-56.3-49.3173.6-177.3175.9175.7179.60111.3M312 R316 I317 E318M312-K314 VanDerWaalsContact C-N 3.33Å; M312-K314 PolarHBondContact O-N 3.45Å; K314-R316 PolarHBondContact O-N 2.62Å; K314-I317 PolarHBondContact O-N 2.78Å; K314-E318 WeakPolarHBondContact CE-OE1 3.34Å; K314-E318 WeakPolarHBondContact CG-OE1 3.45Å; K314-E318 WeakPolarHBondContact O-CG 3.15Å; K314-E318 PolarHBondContact O-N 3.2Å
315K83.6Confident82.6Confident98 Ų9870.2 Ų70.243%0.42635%0.354SS..Hα-helixtrans-66-36.3-179.9-165.6167.7-176.2175.30112.7M312 G313 I317 E318 N319M312-K315 PolarHBondContact O-N 3.08Å; G313-K315 VanDerWaalsContact C-N 3.34Å; G313-K315 PolarHBondContact O-N 3.41Å; K315-I317 VanDerWaalsContact C-N 3.35Å; K315-E318 PolarHBondContact O-N 3.42Å; K315-N319 WeakPolarHBondContact O-CB 3.49Å; K315-N319 PolarHBondContact O-N 2.85Å
316R83.1Confident81.9Confident8 Ų870.5 Ų70.53%0.0336%0.355CS..Hα-helixtrans-60.9-43.4174-168.5-174.9-156.8-159.814.3111.7A197 P198 L199 M312 G313 K314 F320 A326 D327 Y330A197-R316 VanDerWaalsContact C-NH1 3.31Å; P198-R316 PolarHBondContact O-NH1 3.1Å; L199-R316 HydrophobicContact CD1-CG 4.46Å; M312-R316 PolarHBondContact O-N 3.42Å; G313-R316 PolarHBondContact O-N 3.06Å; K314-R316 PolarHBondContact O-N 2.62Å; R316-F320 PolarHBondContact O-N 2.68Å; R316-F320 VanDerWaalsContact O-N 3.15Å; R316-A326 HydrophobicContact CG-CB 3.86Å; R316-D327 IonicContact CZ-OD1 3.69Å; R316-D327 IonicContact NE-OD1 3.45Å; R316-D327 PolarHBondContact NE-OD1 2.91Å; R316-D327 IonicContact NH2-OD1 2.82Å; R316-D327 PolarHBondContact NH2-OD1 3.41Å; R316-D327 IonicContact NH2-OD2 2.87Å; R316-Y330 HydrophobicContact CB-CE2 4.21Å; R316-Y330 HydrophobicContact CG-CE2 4.08Å
317I85.1Confident81.4Confident45 Ų4563.8 Ų63.823%0.23133%0.331CS..Hα-helixtrans-68-43.3178.1-64.7166.5000110.8L146 P198 G313 K314 K315 F320 K321L146-I317 HydrophobicContact CD2-CD1 4.24Å; L146-I317 HydrophobicContact CD2-CG1 4.17Å; L146-I317 HydrophobicContact CD2-CG2 4.29Å; P198-I317 HydrophobicContact CB-CD1 4.07Å; P198-I317 HydrophobicContact CB-CG1 3.86Å; G313-I317 WeakPolarHBondContact O-CG1 3.38Å; G313-I317 PolarHBondContact O-N 3.29Å; K314-I317 PolarHBondContact O-N 2.78Å; K315-I317 VanDerWaalsContact C-N 3.35Å; I317-F320 PolarHBondContact O-N 3.05Å; I317-K321 HydrophobicContact CG2-CD 4.33Å; I317-K321 WeakPolarHBondContact O-CG 3.45Å; I317-K321 PolarHBondContact O-N 3.5Å
318E86Confident80.7Confident99 Ų9957.9 Ų57.946%0.46331%0.311SS..Hα-helixtrans-58.8-48176.2-73.3167.5178.600111.7K314 K315 F320 K321 S322K314-E318 WeakPolarHBondContact CE-OE1 3.34Å; K314-E318 WeakPolarHBondContact CG-OE1 3.45Å; K314-E318 WeakPolarHBondContact O-CG 3.15Å; K314-E318 PolarHBondContact O-N 3.2Å; K315-E318 PolarHBondContact O-N 3.42Å; E318-F320 VanDerWaalsContact C-N 3.32Å; E318-F320 PolarHBondContact O-N 3.28Å; E318-K321 PolarHBondContact O-N 2.98Å; E318-S322 PolarHBondContact O-N 3.24Å; E318-S322 PolarHBondContact O-OG 3.45Å
319N82.8Confident79.9Confident25 Ų2556 Ų5613%0.13430%0.302CS..Hα-helixtrans-57.6-43.5176.4-80.22.3000112.6K315 S322 G323 V324 S328 S329K315-N319 WeakPolarHBondContact O-CB 3.49Å; K315-N319 PolarHBondContact O-N 2.85Å; N319-S322 WeakPolarHBondContact CA-OG 3.21Å; N319-S322 CarbonylContact O-C 3.51Å; N319-S322 PolarHBondContact O-N 2.96Å; N319-S322 PolarHBondContact O-OG 2.99Å; N319-G323 PolarHBondContact O-N 3.3Å; N319-V324 PolarHBondContact O-N 3.15Å; N319-S328 PolarHBondContact ND2-OG 3.28Å; N319-S329 WeakPolarHBondContact ND2-CB 3.47Å
320F81.8Confident79.3Confident66 Ų6655.8 Ų55.829%0.28930%0.298SS..Hα-helixtrans-63.4-44.4178.1176.3-101.7000111.4R144 L199 I254 R316 I317 E318 S322 G323 A326R144-F320 HydrophobicContact CB-CE2 4.48Å; L199-F320 HydrophobicContact CD1-CB 3.44Å; L199-F320 VanDerWaalsContact CD1-CB 3.44Å; L199-F320 HydrophobicContact CD1-CD1 4.08Å; L199-F320 HydrophobicContact CD1-CD2 3.82Å; L199-F320 HydrophobicContact CD1-CG 3.51Å; L199-F320 HydrophobicContact CD2-CB 4.44Å; L199-F320 HydrophobicContact CD2-CD1 3.62Å; L199-F320 HydrophobicContact CD2-CE1 3.94Å; L199-F320 HydrophobicContact CD2-CG 3.96Å; L199-F320 HydrophobicContact CG-CG 4.37Å; I254-F320 HydrophobicContact CD1-CE2 4.37Å; R316-F320 PolarHBondContact O-N 2.68Å; R316-F320 VanDerWaalsContact O-N 3.15Å; I317-F320 PolarHBondContact O-N 3.05Å; E318-F320 VanDerWaalsContact C-N 3.32Å; E318-F320 PolarHBondContact O-N 3.28Å; F320-S322 PolarHBondContact O-N 2.88Å; F320-G323 PolarHBondContact O-N 3.27Å; F320-G323 VanDerWaalsContact O-N 3.11Å; F320-A326 HydrophobicContact CB-CB 4.35Å
321K82.2Confident78.6Confident156 Ų15653.3 Ų53.368%0.67828%0.277SS*.Hα-helixtrans-63.1-30.3175.4-71.5-177.5177.3-171.70112.6I317 E318 G323I317-K321 HydrophobicContact CG2-CD 4.33Å; I317-K321 WeakPolarHBondContact O-CG 3.45Å; I317-K321 PolarHBondContact O-N 3.5Å; E318-K321 PolarHBondContact O-N 2.98Å; K321-G323 VanDerWaalsContact C-N 3.31Å
322S79.5Confident77.4Confident76 Ų7654 Ų5453%0.53128%0.281SS..THydrogen-bonded Turntrans-85.95.4176.270.60000114.2E318 N319 F320 V324E318-S322 PolarHBondContact O-N 3.24Å; E318-S322 PolarHBondContact O-OG 3.45Å; N319-S322 WeakPolarHBondContact CA-OG 3.21Å; N319-S322 CarbonylContact O-C 3.51Å; N319-S322 PolarHBondContact O-N 2.96Å; N319-S322 PolarHBondContact O-OG 2.99Å; F320-S322 PolarHBondContact O-N 2.88Å; S322-V324 VanDerWaalsContact C-N 3.28Å; S322-V324 PolarHBondContact O-N 3.23Å
323G72.9Confident76Confident65 Ų6557.8 Ų57.867%0.6730%0.3SS*.THydrogen-bonded Turntrans71.915.2178.900000115.3N319 F320 K321N319-G323 PolarHBondContact O-N 3.3Å; F320-G323 PolarHBondContact O-N 3.27Å; F320-G323 VanDerWaalsContact O-N 3.11Å; K321-G323 VanDerWaalsContact C-N 3.31Å
324V74.2Confident74.2Confident73 Ų7363.5 Ų63.544%0.44232%0.323SS..SBendtrans-94.3155.6176.2-178.90000109N319 S322 A326N319-V324 PolarHBondContact O-N 3.15Å; S322-V324 VanDerWaalsContact C-N 3.28Å; S322-V324 PolarHBondContact O-N 3.23Å; V324-A326 PolarHBondContact O-N 3.38Å
325D74.3Confident72.1Confident20 Ų2064.1 Ų64.111%0.10733%0.326CS..  trans-52.1117.5170.8-175.7-3.9000109.4H262 K263 D327 S328H262-D325 IonicContact CE1-OD2 2.67Å; H262-D325 PolarHBondContact CE1-OD2 3.11Å; H262-D325 IonicContact NE2-OD2 3.84Å; K263-D325 VanDerWaalsContact CE-OD2 3.3Å; K263-D325 WeakPolarHBondContact CE-OD2 3.19Å; K263-D325 IonicContact NZ-OD1 2.71Å; K263-D325 IonicContact NZ-OD2 3.97Å; K263-D325 PolarHBondContact NZ-OD2 2.89Å; D325-D327 PolarHBondContact O-N 3.24Å; D325-D327 VanDerWaalsContact O-N 3.12Å; D325-D327 PolarHBondContact OD1-N 3.21Å; D325-S328 VanDerWaalsContact O-CB 3.31Å; D325-S328 WeakPolarHBondContact O-CB 3.32Å; D325-S328 PolarHBondContact O-N 3.34Å; D325-S328 VanDerWaalsContact O-N 3.07Å; D325-S328 PolarHBondContact O-OG 3.34Å
326A75.8Confident69.9Low6 Ų665.1 Ų65.15%0.0534%0.341CS..THydrogen-bonded Turntrans-53.1-35.1-179.200000111.2L199 R316 F320 V324L199-A326 HydrophobicContact CD1-CB 4.05Å; R316-A326 HydrophobicContact CG-CB 3.86Å; F320-A326 HydrophobicContact CB-CB 4.35Å; V324-A326 PolarHBondContact O-N 3.38Å
327D74.9Confident67.5Low7 Ų774 Ų744%0.03738%0.38CS..THydrogen-bonded Turntrans-86.2-11.8-174.1-59.6-29.2000113.4R144 R316 D325 S329 Y330 F331R144-D327 IonicContact CZ-OD2 3.53Å; R144-D327 IonicContact NH1-OD1 3.82Å; R144-D327 IonicContact NH1-OD2 3.47Å; R144-D327 IonicContact NH2-OD1 3.72Å; R144-D327 IonicContact NH2-OD2 3.51Å; R144-D327 PolarHBondContact NH2-OD2 2.78Å; R316-D327 IonicContact CZ-OD1 3.69Å; R316-D327 IonicContact NE-OD1 3.45Å; R316-D327 PolarHBondContact NE-OD1 2.91Å; R316-D327 IonicContact NH2-OD1 2.82Å; R316-D327 PolarHBondContact NH2-OD1 3.41Å; R316-D327 IonicContact NH2-OD2 2.87Å; D325-D327 PolarHBondContact O-N 3.24Å; D325-D327 VanDerWaalsContact O-N 3.12Å; D325-D327 PolarHBondContact OD1-N 3.21Å; D327-S329 PolarHBondContact O-N 2.97Å; D327-Y330 HydrophobicContact CB-CD2 4.35Å; D327-Y330 WeakPolarHBondContact O-CD2 3.44Å; D327-Y330 PolarHBondContact O-N 3.23Å; D327-Y330 VanDerWaalsContact O-N 3.11Å; D327-F331 HydrophobicContact CB-CE2 4.43Å; D327-F331 VanDerWaalsContact O-CD2 3.26Å; D327-F331 WeakPolarHBondContact O-CD2 3.45Å
328S73.9Confident65.2Low16 Ų1683 Ų8311%0.11241%0.411CS..Hα-helixtrans-58-28.6-176.663.20000114.3N319 D325 Y330 F331 K332N319-S328 PolarHBondContact ND2-OG 3.28Å; D325-S328 VanDerWaalsContact O-CB 3.31Å; D325-S328 WeakPolarHBondContact O-CB 3.32Å; D325-S328 PolarHBondContact O-N 3.34Å; D325-S328 VanDerWaalsContact O-N 3.07Å; D325-S328 PolarHBondContact O-OG 3.34Å; S328-Y330 VanDerWaalsContact C-N 3.32Å; S328-Y330 PolarHBondContact O-N 3.36Å; S328-F331 PolarHBondContact O-N 3.31Å; S328-K332 PolarHBondContact O-N 2.95Å
329S67.6Low62.7Low7 Ų789.1 Ų89.15%0.04945%0.446CS..Hα-helixtrans-69.9-27.4-178.459.80000113.4N319 D327 F331N319-S329 WeakPolarHBondContact ND2-CB 3.47Å; D327-S329 PolarHBondContact O-N 2.97Å; S329-F331 VanDerWaalsContact C-N 3.31Å
330Y71.6Confident61.7Low20 Ų2092.3 Ų92.38%0.07846%0.462CS..Hα-helixtrans-69.2-31.3178.1-64-83.4000111.9F291 M312 R316 D327 S328F291-Y330 HydrophobicContact CE1-CD1 4.31Å; F291-Y330 HydrophobicContact CE1-CD2 4.21Å; F291-Y330 HydrophobicContact CE1-CG 4.06Å; F291-Y330 HydrophobicContact CE2-CG 4.27Å; F291-Y330 VanDerWaalsContact CZ-CB 3.41Å; F291-Y330 HydrophobicContact CZ-CD1 4.16Å; F291-Y330 AromaticContact CZ-CD2 3.72Å; F291-Y330 HydrophobicContact CZ-CD2 3.72Å; F291-Y330 AromaticContact CZ-CG 3.51Å; F291-Y330 HydrophobicContact CZ-CG 3.51Å; M312-Y330 HydrophobicContact CB-CD1 4.36Å; M312-Y330 HydrophobicContact CB-CE1 3.49Å; M312-Y330 VanDerWaalsContact CB-CE1 3.49Å; M312-Y330 HydrophobicContact CE-CD1 3.26Å; M312-Y330 HydrophobicContact CE-CE1 3.71Å; M312-Y330 HydrophobicContact CE-CG 4.34Å; M312-Y330 HydrophobicContact CG-CD1 4.44Å; M312-Y330 HydrophobicContact CG-CE1 3.97Å; M312-Y330 HydrophobicContact SD-CD1 3.73Å; M312-Y330 HydrophobicContact SD-CE1 3.51Å; M312-Y330 VanDerWaalsContact SD-CE1 3.51Å; R316-Y330 HydrophobicContact CB-CE2 4.21Å; R316-Y330 HydrophobicContact CG-CE2 4.08Å; D327-Y330 HydrophobicContact CB-CD2 4.35Å; D327-Y330 WeakPolarHBondContact O-CD2 3.44Å; D327-Y330 PolarHBondContact O-N 3.23Å; D327-Y330 VanDerWaalsContact O-N 3.11Å; S328-Y330 VanDerWaalsContact C-N 3.32Å; S328-Y330 PolarHBondContact O-N 3.36Å
331F67.5Low60.6Low27 Ų2793.7 Ų93.712%0.11847%0.471CS..Hα-helixtrans-88.9-22.2-176.6-61.7-86.6000113.5P236 H262 K263 F291 D327 S328 S329 I333 F334 K335P236-F331 HydrophobicContact CB-CZ 4.13Å; P236-F331 HydrophobicContact CG-CZ 4.18Å; H262-F331 HydrophobicContact CB-CB 4.08Å; H262-F331 HydrophobicContact CB-CD1 4.22Å; H262-F331 HydrophobicContact CB-CD2 4.45Å; H262-F331 HydrophobicContact CB-CG 4.01Å; H262-F331 AromaticContact CD2-CD1 3.89Å; H262-F331 AromaticContact CD2-CD2 2.98Å; H262-F331 WeakPolarHBondContact CD2-CD2 3.42Å; H262-F331 AromaticContact CD2-CE1 3.96Å; H262-F331 AromaticContact CD2-CE2 3.09Å; H262-F331 WeakPolarHBondContact CD2-CE2 3.04Å; H262-F331 AromaticContact CD2-CG 3.4Å; H262-F331 VanDerWaalsContact CD2-CG 3.4Å; H262-F331 WeakPolarHBondContact CD2-CG 3.38Å; H262-F331 AromaticContact CD2-CZ 3.57Å; H262-F331 AromaticContact CG-CD2 3.85Å; H262-F331 AromaticContact CG-CG 3.91Å; H262-F331 AromaticContact NE2-CD2 3.43Å; H262-F331 WeakPolarHBondContact NE2-CD2 3.41Å; H262-F331 AromaticContact NE2-CE2 3.41Å; H262-F331 WeakPolarHBondContact NE2-CE2 3.13Å; H262-F331 WeakPolarHBondContact O-CD1 3.43Å; H262-F331 WeakPolarHBondContact O-CE1 3.17Å; K263-F331 HydrophobicContact CG-CZ 4.46Å; F291-F331 HydrophobicContact CD2-CE1 4.18Å; F291-F331 HydrophobicContact CD2-CE2 4.43Å; F291-F331 AromaticContact CD2-CZ 3.85Å; F291-F331 HydrophobicContact CD2-CZ 3.85Å; F291-F331 HydrophobicContact CE2-CD2 4.16Å; F291-F331 AromaticContact CE2-CE1 3.81Å; F291-F331 HydrophobicContact CE2-CE1 3.81Å; F291-F331 AromaticContact CE2-CE2 3.39Å; F291-F331 HydrophobicContact CE2-CE2 3.39Å; F291-F331 AromaticContact CE2-CZ 3.21Å; F291-F331 HydrophobicContact CE2-CZ 3.21Å; F291-F331 AromaticContact CZ-CE2 3.89Å; F291-F331 HydrophobicContact CZ-CE2 3.89Å; F291-F331 HydrophobicContact CZ-CZ 4.1Å; D327-F331 HydrophobicContact CB-CE2 4.43Å; D327-F331 VanDerWaalsContact O-CD2 3.26Å; D327-F331 WeakPolarHBondContact O-CD2 3.45Å; S328-F331 PolarHBondContact O-N 3.31Å; S329-F331 VanDerWaalsContact C-N 3.31Å; F331-I333 VanDerWaalsContact C-N 3.33Å; F331-I333 PolarHBondContact O-N 2.97Å; F331-F334 PolarHBondContact O-N 2.93Å; F331-K335 PolarHBondContact O-N 3.15Å
332K58.3Low59.4Low144 Ų14490.2 Ų90.263%0.62646%0.46SS*.Hα-helixtrans-69.2-26.5178.1-76.8-176.6-179.7-1790113.7S328 F334S328-K332 PolarHBondContact O-N 2.95Å; K332-F334 PolarHBondContact O-N 3.36Å
333I52.6Low58.2Low108 Ų10891.1 Ų91.155%0.55446%0.455SS*.THydrogen-bonded Turntrans-66.9-25.6-180-64.8172.1000111.7M312 F331M312-I333 HydrophobicContact CE-CD1 4.29Å; F331-I333 VanDerWaalsContact C-N 3.33Å; F331-I333 PolarHBondContact O-N 2.97Å
334F45.2Very low57.3Low126 Ų12692.7 Ų92.755%0.55344%0.442SS*.THydrogen-bonded Turntrans-110.65.2-176.3-67.4-85.3000114P290 F331 K332 T336P290-F334 HydrophobicContact CB-CD2 4.04Å; P290-F334 HydrophobicContact CB-CE2 3.49Å; P290-F334 VanDerWaalsContact CB-CE2 3.49Å; P290-F334 HydrophobicContact CB-CZ 4.11Å; P290-F334 HydrophobicContact CG-CD2 3.95Å; P290-F334 HydrophobicContact CG-CE2 3.78Å; F331-F334 PolarHBondContact O-N 2.93Å; K332-F334 PolarHBondContact O-N 3.36Å; F334-T336 VanDerWaalsContact C-N 3.31Å; F334-T336 PolarHBondContact O-N 3.2Å
335K40.9Very low56.2Low155 Ų15594 Ų9467%0.67444%0.442SS*.  trans-73.488.4165-87.2-169.7174.4-174.90108.7F331 K337F331-K335 PolarHBondContact O-N 3.15Å; K335-K337 PolarHBondContact O-N 2.95Å
336T37.3Very low54.9Low119 Ų11999.3 Ų99.373%0.7347%0.466SS*.  trans-52.7125.4142160000106.6F334 R338F334-T336 VanDerWaalsContact C-N 3.31Å; F334-T336 PolarHBondContact O-N 3.2Å; T336-R338 PolarHBondContact O-N 2.82Å
337K34Very low53.3Low195 Ų195106.5 Ų106.585%0.84850%0.498SS*.  trans-45.4109.4164.4-78.7180173.4-1770106.9K335K335-K337 PolarHBondContact O-N 2.95Å
338R35.1Very low51.5Low233 Ų233114.8 Ų114.888%0.87954%0.536SS*.  trans-97.8119.1153.7-78.2-173.7-179.9176.5-0103.5T336T336-R338 PolarHBondContact O-N 2.82Å
339D33.8Very low49.5Very low227 Ų227123.7 Ų123.7100%1.21458%0.575SS**  trans-51.80-175.5-60.6-45.9000112.9

Retrieved 339 of 339 residues in 169.6 ms (Link to these results)

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