A0A3Q0KB97_SCHMA Loading...

1-acylglycerol-3-phosphate O-acyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KB97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 265 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
1M73Confident78.3Confident176 Ų176116.7 Ų116.787%0.86759%0.587SS**  0-55.80-161.2168.674.600112.7L3 C4 M5M1-L3 PolarHBondContact O-N 2.98Å; M1-C4 WeakPolarHBondContact O-CB 3.34Å; M1-C4 PolarHBondContact O-N 3.38Å; M1-M5 HydrophobicContact CG-CE 4.11Å; M1-M5 PolarHBondContact O-N 2.85Å; M1-M5 HydrophobicContact SD-CE 4.37Å
2F75.9Confident78.3Confident153 Ų153115.4 Ų115.467%0.67158%0.582SS**Hα-helixtrans-58.7-46.7-179.1-173.2-105.9000114.4C4 M5 L6F2-C4 VanDerWaalsContact C-N 3.31Å; F2-C4 PolarHBondContact O-N 3.42Å; F2-M5 PolarHBondContact O-N 3.34Å; F2-M5 VanDerWaalsContact O-N 3.16Å; F2-L6 HydrophobicContact CD1-CD1 3.8Å; F2-L6 HydrophobicContact CD1-CG 4.37Å; F2-L6 HydrophobicContact CE1-CD1 3.36Å; F2-L6 HydrophobicContact CE1-CG 4.06Å; F2-L6 HydrophobicContact CZ-CD1 3.91Å; F2-L6 HydrophobicContact CZ-CD2 4.43Å; F2-L6 HydrophobicContact CZ-CG 4.21Å; F2-L6 PolarHBondContact O-N 3.31Å
3L77.3Confident78.5Confident144 Ų144117.3 Ų117.375%0.75459%0.585SS**Hα-helixtrans-59.5-39.2175.3-78.9159.2000112.8M1 L6 A7M1-L3 PolarHBondContact O-N 2.98Å; L3-L6 PolarHBondContact O-N 2.64Å; L3-A7 WeakPolarHBondContact O-CB 3.4Å; L3-A7 PolarHBondContact O-N 3.19Å
4C78.1Confident78.8Confident75 Ų75111.9 Ų111.951%0.50757%0.568SS.*Hα-helixtrans-64.9-45.4175-560000110.7M1 F2 L6 A7 Y8M1-C4 WeakPolarHBondContact O-CB 3.34Å; M1-C4 PolarHBondContact O-N 3.38Å; F2-C4 VanDerWaalsContact C-N 3.31Å; F2-C4 PolarHBondContact O-N 3.42Å; C4-L6 PolarHBondContact O-N 3.26Å; C4-A7 PolarHBondContact O-N 2.95Å; C4-Y8 WeakPolarHBondContact O-CD2 3.34Å; C4-Y8 PolarHBondContact O-N 3.39Å
5M77Confident79Confident111 Ų111108 Ų10855%0.54755%0.552SS.*Hα-helixtrans-60.4-43.7176.9-71.8-173.9173.100111.9M1 F2 Y8 T9M1-M5 HydrophobicContact CG-CE 4.11Å; M1-M5 PolarHBondContact O-N 2.85Å; M1-M5 HydrophobicContact SD-CE 4.37Å; F2-M5 PolarHBondContact O-N 3.34Å; F2-M5 VanDerWaalsContact O-N 3.16Å; M5-Y8 PolarHBondContact O-N 3.02Å; M5-T9 WeakPolarHBondContact O-CG2 3.22Å; M5-T9 PolarHBondContact O-N 2.74Å; M5-T9 PolarHBondContact O-OG1 2.89Å
6L79.7Confident79.3Confident84 Ų84106.9 Ų106.944%0.4455%0.546SS..Hα-helixtrans-60.5-46.9174.5-75.8176.6000111.8F2 L3 C4 Y8 T9 F10F2-L6 HydrophobicContact CD1-CD1 3.8Å; F2-L6 HydrophobicContact CD1-CG 4.37Å; F2-L6 HydrophobicContact CE1-CD1 3.36Å; F2-L6 HydrophobicContact CE1-CG 4.06Å; F2-L6 HydrophobicContact CZ-CD1 3.91Å; F2-L6 HydrophobicContact CZ-CD2 4.43Å; F2-L6 HydrophobicContact CZ-CG 4.21Å; F2-L6 PolarHBondContact O-N 3.31Å; L3-L6 PolarHBondContact O-N 2.64Å; C4-L6 PolarHBondContact O-N 3.26Å; L6-Y8 PolarHBondContact O-N 3.45Å; L6-T9 WeakPolarHBondContact CA-OG1 3.06Å; L6-T9 PolarHBondContact O-N 3.03Å; L6-T9 PolarHBondContact O-OG1 3.39Å; L6-F10 WeakPolarHBondContact O-CB 3.29Å; L6-F10 PolarHBondContact O-N 3.48Å
7A81.3Confident79.6Confident50 Ų50105 Ų10541%0.41354%0.542SS..Hα-helixtrans-60.6-43.517700000112.1L3 C4 F10 I11L3-A7 WeakPolarHBondContact O-CB 3.4Å; L3-A7 PolarHBondContact O-N 3.19Å; C4-A7 PolarHBondContact O-N 2.95Å; A7-F10 PolarHBondContact O-N 3.45Å; A7-I11 WeakPolarHBondContact O-CB 3.47Å; A7-I11 VanDerWaalsContact O-CG1 3.24Å; A7-I11 WeakPolarHBondContact O-CG1 3.34Å; A7-I11 PolarHBondContact O-N 3.33Å
8Y78.6Confident80Confident174 Ų174104.9 Ų104.968%0.68254%0.542SS*.Hα-helixtrans-62.8-43.9175.6-83.7-67.2000112.3C4 M5 L6 F10 I11 L12C4-Y8 WeakPolarHBondContact O-CD2 3.34Å; C4-Y8 PolarHBondContact O-N 3.39Å; M5-Y8 PolarHBondContact O-N 3.02Å; L6-Y8 PolarHBondContact O-N 3.45Å; Y8-F10 VanDerWaalsContact C-N 3.34Å; Y8-F10 PolarHBondContact O-N 3.42Å; Y8-I11 PolarHBondContact O-N 3.05Å; Y8-L12 VanDerWaalsContact O-CB 3.32Å; Y8-L12 WeakPolarHBondContact O-CB 3.49Å; Y8-L12 PolarHBondContact O-N 2.81Å
9T78.3Confident80.5Confident65 Ų65104.5 Ų104.540%0.39954%0.54SS..Hα-helixtrans-62.3-43.3175.553.20000111.3M5 L6 L12 F13M5-T9 WeakPolarHBondContact O-CG2 3.22Å; M5-T9 PolarHBondContact O-N 2.74Å; M5-T9 PolarHBondContact O-OG1 2.89Å; L6-T9 WeakPolarHBondContact CA-OG1 3.06Å; L6-T9 PolarHBondContact O-N 3.03Å; L6-T9 PolarHBondContact O-OG1 3.39Å; T9-L12 PolarHBondContact O-N 3.02Å; T9-F13 WeakPolarHBondContact O-CD2 3.49Å; T9-F13 PolarHBondContact O-N 3.06Å
10F82.3Confident81Confident154 Ų154103.5 Ų103.568%0.67553%0.529SS*.Hα-helixtrans-63.1-45.3177.8-172.5-94.8000112.1L6 A7 Y8 L12 F13 A14L6-F10 WeakPolarHBondContact O-CB 3.29Å; L6-F10 PolarHBondContact O-N 3.48Å; A7-F10 PolarHBondContact O-N 3.45Å; Y8-F10 VanDerWaalsContact C-N 3.34Å; Y8-F10 PolarHBondContact O-N 3.42Å; F10-L12 PolarHBondContact O-N 3.1Å; F10-F13 PolarHBondContact O-N 3.21Å; F10-A14 WeakPolarHBondContact O-CB 3.31Å; F10-A14 PolarHBondContact O-N 3.33Å
11I80.3Confident81.4Confident98 Ų98108 Ų10850%0.50354%0.54SS..Hα-helixtrans-62.5-42.9176.5-67.5165.1000110.6A7 Y8 A14 T15A7-I11 WeakPolarHBondContact O-CB 3.47Å; A7-I11 VanDerWaalsContact O-CG1 3.24Å; A7-I11 WeakPolarHBondContact O-CG1 3.34Å; A7-I11 PolarHBondContact O-N 3.33Å; Y8-I11 PolarHBondContact O-N 3.05Å; I11-A14 PolarHBondContact O-N 3.01Å; I11-T15 HydrophobicContact CG2-CG2 4.22Å; I11-T15 WeakPolarHBondContact O-CB 3.49Å; I11-T15 WeakPolarHBondContact O-CG2 3.26Å; I11-T15 PolarHBondContact O-N 2.97Å; I11-T15 PolarHBondContact O-OG1 3.34Å
12L77.2Confident82.4Confident101 Ų101103 Ų10353%0.52952%0.519SS..Hα-helixtrans-61.4-48.9176.8-176.866.9000111.3Y8 T9 F10 A14 T15 I16Y8-L12 VanDerWaalsContact O-CB 3.32Å; Y8-L12 WeakPolarHBondContact O-CB 3.49Å; Y8-L12 PolarHBondContact O-N 2.81Å; T9-L12 PolarHBondContact O-N 3.02Å; F10-L12 PolarHBondContact O-N 3.1Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.27Å; L12-T15 PolarHBondContact O-N 3.11Å; L12-T15 PolarHBondContact O-OG1 3.36Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 2.89Å
13F82Confident83.3Confident140 Ų14098.8 Ų98.861%0.61451%0.507SS*.Hα-helixtrans-68.1-32.6178.4-75.9-65.9000112.7T9 F10 P17T9-F13 WeakPolarHBondContact O-CD2 3.49Å; T9-F13 PolarHBondContact O-N 3.06Å; F10-F13 PolarHBondContact O-N 3.21Å; F13-P17 WeakPolarHBondContact O-CD 3.13Å
14A81.7Confident84.2Confident42 Ų4298.1 Ų98.135%0.34750%0.498SS..Hα-helixtrans-72.6-31.5175.900000112.8F10 I11 L12 I18F10-A14 WeakPolarHBondContact O-CB 3.31Å; F10-A14 PolarHBondContact O-N 3.33Å; I11-A14 PolarHBondContact O-N 3.01Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.27Å; A14-I18 WeakPolarHBondContact O-CD1 3.28Å; A14-I18 WeakPolarHBondContact O-CG1 3.19Å
15T82.5Confident85Confident53 Ų5396.7 Ų96.733%0.32549%0.487SS..Hα-helixtrans-77.9-30.1-179.849.50000113I11 L12 I18 L19I11-T15 HydrophobicContact CG2-CG2 4.22Å; I11-T15 WeakPolarHBondContact O-CB 3.49Å; I11-T15 WeakPolarHBondContact O-CG2 3.26Å; I11-T15 PolarHBondContact O-N 2.97Å; I11-T15 PolarHBondContact O-OG1 3.34Å; L12-T15 PolarHBondContact O-N 3.11Å; L12-T15 PolarHBondContact O-OG1 3.36Å; T15-I18 WeakPolarHBondContact O-CB 3.23Å; T15-I18 PolarHBondContact O-N 2.88Å; T15-I18 VanDerWaalsContact O-N 3.17Å; T15-L19 WeakPolarHBondContact O-CG 3.35Å; T15-L19 PolarHBondContact O-N 2.9Å
16I83Confident85.9Confident90 Ų9093.4 Ų93.446%0.46247%0.471SS..Hα-helixtrans-57-52179.3-70.3164.5000112.5L12 I18 L19 Y20L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 2.89Å; I16-I18 VanDerWaalsContact C-N 3.28Å; I16-I18 PolarHBondContact O-N 3.08Å; I16-L19 PolarHBondContact O-N 3.09Å; I16-Y20 WeakPolarHBondContact O-CB 3.38Å; I16-Y20 PolarHBondContact O-N 2.96Å
17P85.5Confident86.8Confident75 Ų7590.5 Ų90.549%0.48745%0.454SS..Hα-helixtrans-60.5-36.2176.1-24.332.9000113F13 Y20 R21F13-P17 WeakPolarHBondContact O-CD 3.13Å; P17-Y20 PolarHBondContact O-N 2.92Å; P17-R21 PolarHBondContact O-N 3.01Å
18I87Confident87.5Confident103 Ų10394 Ų9453%0.52846%0.457SS..Hα-helixtrans-65.8-48.7178.8-63.1171.2000109.9A14 T15 I16 Y20 R21A14-I18 WeakPolarHBondContact O-CD1 3.28Å; A14-I18 WeakPolarHBondContact O-CG1 3.19Å; T15-I18 WeakPolarHBondContact O-CB 3.23Å; T15-I18 PolarHBondContact O-N 2.88Å; T15-I18 VanDerWaalsContact O-N 3.17Å; I16-I18 VanDerWaalsContact C-N 3.28Å; I16-I18 PolarHBondContact O-N 3.08Å; I18-Y20 VanDerWaalsContact C-N 3.3Å; I18-Y20 PolarHBondContact O-N 3.06Å; I18-R21 WeakPolarHBondContact O-CB 3.46Å; I18-R21 PolarHBondContact O-N 3.1Å; I18-R21 VanDerWaalsContact O-N 3.1Å
19L88Confident88.4Confident98 Ų9888.6 Ų88.651%0.51344%0.442SS..Hα-helixtrans-62.1-39.2176.6-69174.8000111.4T15 I16 R21 V22 V25T15-L19 WeakPolarHBondContact O-CG 3.35Å; T15-L19 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 3.09Å; L19-R21 PolarHBondContact O-N 2.9Å; L19-R21 VanDerWaalsContact O-N 3.16Å; L19-V22 WeakPolarHBondContact O-CB 3.17Å; L19-V22 PolarHBondContact O-N 3.08Å; L19-V25 HydrophobicContact CB-CG1 4.42Å; L19-V25 WeakPolarHBondContact O-CB 3.41Å
20Y91Very high89.3Confident83 Ų8385.7 Ų85.733%0.32542%0.424SS..THydrogen-bonded Turntrans-67.5-10.3177.6-163.8-102.6000113.4I16 P17 I18 V22 Q26 V29 K30I16-Y20 WeakPolarHBondContact O-CB 3.38Å; I16-Y20 PolarHBondContact O-N 2.96Å; P17-Y20 PolarHBondContact O-N 2.92Å; I18-Y20 VanDerWaalsContact C-N 3.3Å; I18-Y20 PolarHBondContact O-N 3.06Å; Y20-V22 PolarHBondContact O-N 3.28Å; Y20-Q26 HydrophobicContact CD1-CG 4.13Å; Y20-Q26 HydrophobicContact CD2-CG 3.96Å; Y20-Q26 HydrophobicContact CE1-CG 3.98Å; Y20-Q26 HydrophobicContact CE2-CB 4.06Å; Y20-Q26 HydrophobicContact CE2-CG 3.8Å; Y20-Q26 HydrophobicContact CG-CG 4.12Å; Y20-Q26 VanDerWaalsContact O-CD 3.3Å; Y20-Q26 WeakPolarHBondContact O-CG 3.31Å; Y20-Q26 PolarHBondContact O-NE2 2.8Å; Y20-V29 HydrophobicContact CD2-CG1 4.4Å; Y20-V29 HydrophobicContact CE2-CB 4.26Å; Y20-V29 HydrophobicContact CE2-CG1 4.03Å; Y20-K30 WeakPolarHBondContact OH-CE 3.34Å
21R90.2Very high90Very high199 Ų19979.8 Ų79.875%0.75140%0.398SS*.THydrogen-bonded Turntrans-72.3-17.4168.9-67.9178.7179.4170.9-0.1113P17 I18 L19 P23P17-R21 PolarHBondContact O-N 3.01Å; I18-R21 WeakPolarHBondContact O-CB 3.46Å; I18-R21 PolarHBondContact O-N 3.1Å; I18-R21 VanDerWaalsContact O-N 3.1Å; L19-R21 PolarHBondContact O-N 2.9Å; L19-R21 VanDerWaalsContact O-N 3.16Å; R21-P23 WeakPolarHBondContact O-CD 3.4Å
22V93.8Very high90.9Very high70 Ų7078.9 Ų78.942%0.42440%0.4SS..SBendtrans-81.6120.1179.2-178.60000109.8L19 Y20 K24 V25 Q26L19-V22 WeakPolarHBondContact O-CB 3.17Å; L19-V22 PolarHBondContact O-N 3.08Å; Y20-V22 PolarHBondContact O-N 3.28Å; V22-K24 VanDerWaalsContact C-N 3.28Å; V22-K24 HydrophobicContact CG1-CB 4.47Å; V22-K24 PolarHBondContact O-N 3.43Å; V22-K24 VanDerWaalsContact O-N 3.15Å; V22-V25 HydrophobicContact CB-CB 4.17Å; V22-V25 HydrophobicContact CB-CG2 3.82Å; V22-V25 HydrophobicContact CG1-CG2 4.09Å; V22-V25 WeakPolarHBondContact O-CA 3Å; V22-V25 WeakPolarHBondContact O-CB 3.15Å; V22-V25 PolarHBondContact O-N 3.08Å; V22-Q26 PolarHBondContact O-N 3.3Å; V22-Q26 VanDerWaalsContact O-N 3.12Å
23P94.6Very high91.9Very high66 Ų6676.8 Ų76.843%0.42939%0.392SS..Hα-helixtrans-56.3-37.3-174.6-29.235.8000114.8R21 V25 Q26 Y27 L217R21-P23 WeakPolarHBondContact O-CD 3.4Å; P23-V25 VanDerWaalsContact C-N 3.33Å; P23-V25 PolarHBondContact O-N 2.95Å; P23-Q26 WeakPolarHBondContact O-CB 3.48Å; P23-Q26 PolarHBondContact O-N 2.81Å; P23-Y27 PolarHBondContact O-N 3.43Å; P23-L217 HydrophobicContact CB-CD1 3.87Å
24K96.2Very high92.6Very high129 Ų12970.4 Ų70.456%0.56136%0.364SS*.Hα-helixtrans-64.3-37.7176.3-62.6-170.2176.6173.70112.2V22 Y27 Y28 K216V22-K24 VanDerWaalsContact C-N 3.28Å; V22-K24 HydrophobicContact CG1-CB 4.47Å; V22-K24 PolarHBondContact O-N 3.43Å; V22-K24 VanDerWaalsContact O-N 3.15Å; K24-Y27 WeakPolarHBondContact O-CB 3.26Å; K24-Y27 PolarHBondContact O-N 3.44Å; K24-Y28 WeakPolarHBondContact O-CD2 3.23Å; K24-Y28 PolarHBondContact O-N 3.05Å; K24-Y28 VanDerWaalsContact O-N 3.14Å; K24-K216 HydrophobicContact CG-CB 4.12Å
25V95.3Very high93.4Very high46 Ų4671.8 Ų71.828%0.27937%0.37SS..Hα-helixtrans-66.1-45.5176.3176.10000109.5L19 V22 P23 Y27 Y28 V29L19-V25 HydrophobicContact CB-CG1 4.42Å; L19-V25 WeakPolarHBondContact O-CB 3.41Å; V22-V25 HydrophobicContact CB-CB 4.17Å; V22-V25 HydrophobicContact CB-CG2 3.82Å; V22-V25 HydrophobicContact CG1-CG2 4.09Å; V22-V25 WeakPolarHBondContact O-CA 3Å; V22-V25 WeakPolarHBondContact O-CB 3.15Å; V22-V25 PolarHBondContact O-N 3.08Å; P23-V25 VanDerWaalsContact C-N 3.33Å; P23-V25 PolarHBondContact O-N 2.95Å; V25-Y27 VanDerWaalsContact C-N 3.3Å; V25-Y27 PolarHBondContact O-N 3.44Å; V25-Y28 PolarHBondContact O-N 3.3Å; V25-V29 HydrophobicContact CG1-CG2 3.96Å; V25-V29 WeakPolarHBondContact O-CB 3.13Å; V25-V29 VanDerWaalsContact O-CG2 3.24Å; V25-V29 WeakPolarHBondContact O-CG2 3.1Å; V25-V29 PolarHBondContact O-N 3.03Å
26Q95.6Very high94.1Very high42 Ų4274 Ų7420%0.19638%0.38CS..Hα-helixtrans-55.7-45.3174.7-60.8-175.3-16.400111.8Y20 V22 P23 V29 K30Y20-Q26 HydrophobicContact CD1-CG 4.13Å; Y20-Q26 HydrophobicContact CD2-CG 3.96Å; Y20-Q26 HydrophobicContact CE1-CG 3.98Å; Y20-Q26 HydrophobicContact CE2-CB 4.06Å; Y20-Q26 HydrophobicContact CE2-CG 3.8Å; Y20-Q26 HydrophobicContact CG-CG 4.12Å; Y20-Q26 VanDerWaalsContact O-CD 3.3Å; Y20-Q26 WeakPolarHBondContact O-CG 3.31Å; Y20-Q26 PolarHBondContact O-NE2 2.8Å; V22-Q26 PolarHBondContact O-N 3.3Å; V22-Q26 VanDerWaalsContact O-N 3.12Å; P23-Q26 WeakPolarHBondContact O-CB 3.48Å; P23-Q26 PolarHBondContact O-N 2.81Å; Q26-V29 PolarHBondContact O-N 3.48Å; Q26-K30 WeakPolarHBondContact O-CB 3.29Å; Q26-K30 VanDerWaalsContact O-CG 3.25Å; Q26-K30 WeakPolarHBondContact O-CG 3.27Å; Q26-K30 PolarHBondContact O-N 2.83Å
27Y97.6Very high94.8Very high22 Ų2271.4 Ų71.49%0.08637%0.366CS..Hα-helixtrans-55.5-53.9177.1176-81000112.2P23 K24 V25 F31 L211 H213 K216 F218P23-Y27 PolarHBondContact O-N 3.43Å; K24-Y27 WeakPolarHBondContact O-CB 3.26Å; K24-Y27 PolarHBondContact O-N 3.44Å; V25-Y27 VanDerWaalsContact C-N 3.3Å; V25-Y27 PolarHBondContact O-N 3.44Å; Y27-F31 HydrophobicContact CD1-CD2 4.12Å; Y27-F31 HydrophobicContact CD2-CD2 4.19Å; Y27-F31 AromaticContact CD2-CE2 3.92Å; Y27-F31 HydrophobicContact CD2-CE2 3.92Å; Y27-F31 AromaticContact CE1-CD2 3.78Å; Y27-F31 HydrophobicContact CE1-CD2 3.78Å; Y27-F31 HydrophobicContact CE1-CE2 4.13Å; Y27-F31 AromaticContact CE2-CD2 3.92Å; Y27-F31 HydrophobicContact CE2-CD2 3.92Å; Y27-F31 AromaticContact CE2-CE2 3.43Å; Y27-F31 HydrophobicContact CE2-CE2 3.43Å; Y27-F31 VanDerWaalsContact CE2-CE2 3.43Å; Y27-F31 HydrophobicContact CG-CD2 4.28Å; Y27-F31 HydrophobicContact CG-CE2 4.46Å; Y27-F31 AromaticContact CZ-CD2 3.66Å; Y27-F31 AromaticContact CZ-CE2 3.51Å; Y27-F31 WeakPolarHBondContact O-CD2 3.31Å; Y27-F31 PolarHBondContact O-N 2.86Å; Y27-F31 VanDerWaalsContact O-N 3.15Å; Y27-L211 HydrophobicContact CD2-CD1 4.34Å; Y27-L211 HydrophobicContact CE2-CD1 4.02Å; Y27-H213 AromaticContact CE2-ND1 3.8Å; Y27-H213 AromaticContact CZ-ND1 3.83Å; Y27-H213 PolarHBondContact OH-ND1 3.25Å; Y27-K216 WeakPolarHBondContact CB-O 3.42Å; Y27-K216 HydrophobicContact CD1-CB 4.1Å; Y27-K216 HydrophobicContact CD1-CD 4.03Å; Y27-K216 VanDerWaalsContact CD2-C 3.46Å; Y27-K216 HydrophobicContact CD2-CB 4.3Å; Y27-K216 HydrophobicContact CE1-CD 3.68Å; Y27-K216 HydrophobicContact CE2-CD 4.34Å; Y27-K216 HydrophobicContact CG-CB 4Å; Y27-F218 HydrophobicContact CD2-CB 3.95Å; Y27-F218 HydrophobicContact CG-CB 4.46Å
28Y97.6Very high95.4Very high125 Ų12570 Ų7049%0.4935%0.354SS..Hα-helixtrans-70-38.7-177.8-71.2-63.2000112.6K24 V25 S32K24-Y28 WeakPolarHBondContact O-CD2 3.23Å; K24-Y28 PolarHBondContact O-N 3.05Å; K24-Y28 VanDerWaalsContact O-N 3.14Å; V25-Y28 PolarHBondContact O-N 3.3Å; Y28-S32 VanDerWaalsContact O-CB 3.27Å; Y28-S32 WeakPolarHBondContact O-CB 3.39Å; Y28-S32 PolarHBondContact O-N 3.29Å; Y28-S32 PolarHBondContact O-OG 3.01Å
29V96.3Very high95.9Very high60 Ų6070.6 Ų70.636%0.36436%0.358SS..Hα-helixtrans-60.6-48.6176.2168.70000110.2Y20 V25 Q26 F31 S32 V33Y20-V29 HydrophobicContact CD2-CG1 4.4Å; Y20-V29 HydrophobicContact CE2-CB 4.26Å; Y20-V29 HydrophobicContact CE2-CG1 4.03Å; V25-V29 HydrophobicContact CG1-CG2 3.96Å; V25-V29 WeakPolarHBondContact O-CB 3.13Å; V25-V29 VanDerWaalsContact O-CG2 3.24Å; V25-V29 WeakPolarHBondContact O-CG2 3.1Å; V25-V29 PolarHBondContact O-N 3.03Å; Q26-V29 PolarHBondContact O-N 3.48Å; V29-F31 PolarHBondContact O-N 3.03Å; V29-S32 PolarHBondContact O-N 3.25Å; V29-V33 HydrophobicContact CG1-CG2 4.31Å; V29-V33 WeakPolarHBondContact O-CB 3.31Å; V29-V33 VanDerWaalsContact O-CG2 3.3Å; V29-V33 WeakPolarHBondContact O-CG2 3.49Å; V29-V33 PolarHBondContact O-N 3.23Å
30K97.8Very high96.4Very high4 Ų469.4 Ų69.42%0.01735%0.352CS..Hα-helixtrans-61.8-46.4-180-75.3-178.7174.3-149.60112.9Y20 Q26 S32 V33 L34 I73 F218 K219 N220Y20-K30 WeakPolarHBondContact OH-CE 3.34Å; Q26-K30 WeakPolarHBondContact O-CB 3.29Å; Q26-K30 VanDerWaalsContact O-CG 3.25Å; Q26-K30 WeakPolarHBondContact O-CG 3.27Å; Q26-K30 PolarHBondContact O-N 2.83Å; K30-S32 VanDerWaalsContact C-N 3.31Å; K30-S32 PolarHBondContact O-N 3.13Å; K30-V33 PolarHBondContact O-N 3.27Å; K30-L34 WeakPolarHBondContact O-CB 3.2Å; K30-L34 PolarHBondContact O-N 2.86Å; K30-I73 HydrophobicContact CB-CB 4.33Å; K30-I73 VanDerWaalsContact CE-O 3.26Å; K30-I73 WeakPolarHBondContact CE-O 3.32Å; K30-I73 HydrophobicContact CG-CB 4.29Å; K30-I73 PolarHBondContact NZ-O 3.18Å; K30-F218 HydrophobicContact CB-CD1 3.82Å; K30-F218 HydrophobicContact CB-CE1 4.11Å; K30-F218 HydrophobicContact CB-CG 4.45Å; K30-F218 HydrophobicContact CD-CB 4.08Å; K30-F218 HydrophobicContact CD-CD1 3.87Å; K30-F218 HydrophobicContact CD-CD2 4.01Å; K30-F218 HydrophobicContact CD-CE1 4.31Å; K30-F218 HydrophobicContact CD-CE2 4.4Å; K30-F218 HydrophobicContact CD-CG 3.71Å; K30-F218 WeakPolarHBondContact CD-O 3.35Å; K30-F218 WeakPolarHBondContact CE-O 3.32Å; K30-F218 PolarHBondContact NZ-O 2.9Å; K30-K219 PolarHBondContact NZ-O 2.82Å; K30-K219 VanDerWaalsContact NZ-O 3.08Å; K30-N220 WeakPolarHBondContact CE-OD1 3.39Å; K30-N220 PolarHBondContact NZ-OD1 3.22Å
31F97.8Very high96.7Very high30 Ų3065.5 Ų65.513%0.13234%0.336CS..Hα-helixtrans-66-35.2176.4-82.9-66.2000112.2Y27 V29 L34 C35 I100 L211 H213 F218Y27-F31 HydrophobicContact CD1-CD2 4.12Å; Y27-F31 HydrophobicContact CD2-CD2 4.19Å; Y27-F31 AromaticContact CD2-CE2 3.92Å; Y27-F31 HydrophobicContact CD2-CE2 3.92Å; Y27-F31 AromaticContact CE1-CD2 3.78Å; Y27-F31 HydrophobicContact CE1-CD2 3.78Å; Y27-F31 HydrophobicContact CE1-CE2 4.13Å; Y27-F31 AromaticContact CE2-CD2 3.92Å; Y27-F31 HydrophobicContact CE2-CD2 3.92Å; Y27-F31 AromaticContact CE2-CE2 3.43Å; Y27-F31 HydrophobicContact CE2-CE2 3.43Å; Y27-F31 VanDerWaalsContact CE2-CE2 3.43Å; Y27-F31 HydrophobicContact CG-CD2 4.28Å; Y27-F31 HydrophobicContact CG-CE2 4.46Å; Y27-F31 AromaticContact CZ-CD2 3.66Å; Y27-F31 AromaticContact CZ-CE2 3.51Å; Y27-F31 WeakPolarHBondContact O-CD2 3.31Å; Y27-F31 PolarHBondContact O-N 2.86Å; Y27-F31 VanDerWaalsContact O-N 3.15Å; V29-F31 PolarHBondContact O-N 3.03Å; F31-L34 HydrophobicContact CD1-CD2 4.49Å; F31-L34 PolarHBondContact O-N 3.35Å; F31-C35 VanDerWaalsContact O-CB 3.29Å; F31-C35 WeakPolarHBondContact O-CB 3.32Å; F31-C35 PolarHBondContact O-N 2.83Å; F31-C35 PolarHBondContact O-SG 3.3Å; F31-I100 HydrophobicContact CE1-CG2 4.28Å; F31-L211 HydrophobicContact CE2-CD1 3.82Å; F31-L211 HydrophobicContact CZ-CD1 3.88Å; F31-L211 HydrophobicContact CZ-CD2 4.36Å; F31-H213 AromaticContact CZ-CE1 3.64Å; F31-F218 AromaticContact CD2-CD1 3.97Å; F31-F218 HydrophobicContact CD2-CD1 3.97Å; F31-F218 HydrophobicContact CD2-CE1 4.42Å; F31-F218 HydrophobicContact CE1-CE1 4.27Å; F31-F218 AromaticContact CE2-CD1 3.52Å; F31-F218 HydrophobicContact CE2-CD1 3.52Å; F31-F218 AromaticContact CE2-CE1 3.92Å; F31-F218 HydrophobicContact CE2-CE1 3.92Å; F31-F218 AromaticContact CZ-CD1 3.91Å; F31-F218 HydrophobicContact CZ-CD1 3.91Å; F31-F218 AromaticContact CZ-CE1 3.83Å; F31-F218 HydrophobicContact CZ-CE1 3.83Å
32S97.7Very high97.1Very high78 Ų7856.2 Ų56.255%0.54530%0.302SS..Hα-helixtrans-65.7-45.4175.9-57.90000111.6Y28 V29 K30 C35 L36Y28-S32 VanDerWaalsContact O-CB 3.27Å; Y28-S32 WeakPolarHBondContact O-CB 3.39Å; Y28-S32 PolarHBondContact O-N 3.29Å; Y28-S32 PolarHBondContact O-OG 3.01Å; V29-S32 PolarHBondContact O-N 3.25Å; K30-S32 VanDerWaalsContact C-N 3.31Å; K30-S32 PolarHBondContact O-N 3.13Å; S32-C35 PolarHBondContact O-N 2.79Å; S32-L36 WeakPolarHBondContact O-CB 3.5Å; S32-L36 PolarHBondContact O-N 3.25Å
33V97.8Very high97.3Very high58 Ų5857.3 Ų57.335%0.35230%0.301SS..Hα-helixtrans-62-46.2175.1171.60000110.5V29 K30 C35 L36 L37 I73V29-V33 HydrophobicContact CG1-CG2 4.31Å; V29-V33 WeakPolarHBondContact O-CB 3.31Å; V29-V33 VanDerWaalsContact O-CG2 3.3Å; V29-V33 WeakPolarHBondContact O-CG2 3.49Å; V29-V33 PolarHBondContact O-N 3.23Å; K30-V33 PolarHBondContact O-N 3.27Å; V33-C35 PolarHBondContact O-N 3.45Å; V33-L36 PolarHBondContact O-N 2.7Å; V33-L37 HydrophobicContact CG1-CD1 3.9Å; V33-L37 HydrophobicContact CG1-CG 4.35Å; V33-L37 WeakPolarHBondContact O-CB 3.48Å; V33-L37 VanDerWaalsContact O-CG 3.29Å; V33-L37 WeakPolarHBondContact O-CG 3.24Å; V33-L37 PolarHBondContact O-N 3.3Å; V33-I73 HydrophobicContact CB-CG2 4.11Å; V33-I73 HydrophobicContact CG1-CG2 3.81Å
34L97.9Very high97.5Very high5 Ų560.4 Ų60.43%0.02631%0.308CS..Hα-helixtrans-60.4-46.6177.4-176.561.8000111.9K30 F31 L36 L37 I38 A69 I73 I100 T103K30-L34 WeakPolarHBondContact O-CB 3.2Å; K30-L34 PolarHBondContact O-N 2.86Å; F31-L34 HydrophobicContact CD1-CD2 4.49Å; F31-L34 PolarHBondContact O-N 3.35Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.45Å; L34-L37 PolarHBondContact O-N 3.21Å; L34-I38 HydrophobicContact CD1-CD1 4.12Å; L34-I38 HydrophobicContact CD1-CG1 4.38Å; L34-I38 HydrophobicContact CG-CD1 3.9Å; L34-I38 WeakPolarHBondContact O-CB 3.39Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.21Å; L34-I38 PolarHBondContact O-N 3.01Å; L34-A69 HydrophobicContact CD1-CB 4.15Å; L34-I73 HydrophobicContact CB-CD1 4.14Å; L34-I73 HydrophobicContact CB-CG2 4.34Å; L34-I73 HydrophobicContact CD1-CD1 4.24Å; L34-I73 HydrophobicContact CD2-CD1 3.97Å; L34-I73 HydrophobicContact CG-CD1 4.33Å; L34-I100 HydrophobicContact CD2-CG2 3.78Å; L34-T103 HydrophobicContact CD1-CG2 4.47Å
35C97.4Very high97.6Very high71 Ų7156.5 Ų56.548%0.4829%0.29SS..Hα-helixtrans-59.8-44.9176.3-76.20000111.4F31 S32 V33 I38 L39F31-C35 VanDerWaalsContact O-CB 3.29Å; F31-C35 WeakPolarHBondContact O-CB 3.32Å; F31-C35 PolarHBondContact O-N 2.83Å; F31-C35 PolarHBondContact O-SG 3.3Å; S32-C35 PolarHBondContact O-N 2.79Å; V33-C35 PolarHBondContact O-N 3.45Å; C35-I38 PolarHBondContact O-N 3.18Å; C35-L39 VanDerWaalsContact O-CG 3.3Å; C35-L39 WeakPolarHBondContact O-CG 3.47Å; C35-L39 PolarHBondContact O-N 3.23Å
36L97.9Very high97.7Very high101 Ų10154.6 Ų54.653%0.52928%0.279SS..Hα-helixtrans-62.4-45.4178.3-176.263.5000111.6S32 V33 L34 L39 I40S32-L36 WeakPolarHBondContact O-CB 3.5Å; S32-L36 PolarHBondContact O-N 3.25Å; V33-L36 PolarHBondContact O-N 2.7Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.45Å; L36-L39 PolarHBondContact O-N 2.97Å; L36-I40 HydrophobicContact CD1-CD1 3.93Å; L36-I40 HydrophobicContact CD1-CG1 4.25Å; L36-I40 HydrophobicContact CD2-CD1 4.43Å; L36-I40 HydrophobicContact CG-CD1 3.77Å; L36-I40 HydrophobicContact CG-CG1 4.43Å; L36-I40 WeakPolarHBondContact O-CB 3.44Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.35Å; L36-I40 PolarHBondContact O-N 3.27Å
37L98.2Very high97.8Very high34 Ų3456.4 Ų56.418%0.17829%0.289CS..Hα-helixtrans-60.9-46.7175.1-69.3172.8000110.8V33 L34 L39 I40 G41 Y65 A69 M72V33-L37 HydrophobicContact CG1-CD1 3.9Å; V33-L37 HydrophobicContact CG1-CG 4.35Å; V33-L37 WeakPolarHBondContact O-CB 3.48Å; V33-L37 VanDerWaalsContact O-CG 3.29Å; V33-L37 WeakPolarHBondContact O-CG 3.24Å; V33-L37 PolarHBondContact O-N 3.3Å; L34-L37 PolarHBondContact O-N 3.21Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.31Å; L37-I40 PolarHBondContact O-N 3.14Å; L37-G41 PolarHBondContact O-N 3.02Å; L37-Y65 WeakPolarHBondContact O-CE1 3.36Å; L37-Y65 PolarHBondContact O-OH 3.29Å; L37-A69 HydrophobicContact CB-CB 3.96Å; L37-A69 HydrophobicContact CD1-CB 3.9Å; L37-M72 HydrophobicContact CD1-CB 3.91Å; L37-M72 HydrophobicContact CD1-CG 4.33Å
38I97.5Very high97.8Very high46 Ų4662.1 Ų62.124%0.23631%0.311CS..Hα-helixtrans-58.5-42.7176.5-69.8169.2000111.1L34 C35 S42 L66L34-I38 HydrophobicContact CD1-CD1 4.12Å; L34-I38 HydrophobicContact CD1-CG1 4.38Å; L34-I38 HydrophobicContact CG-CD1 3.9Å; L34-I38 WeakPolarHBondContact O-CB 3.39Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.21Å; L34-I38 PolarHBondContact O-N 3.01Å; C35-I38 PolarHBondContact O-N 3.18Å; I38-S42 WeakPolarHBondContact O-CA 3.19Å; I38-S42 WeakPolarHBondContact O-CB 3.02Å; I38-S42 PolarHBondContact O-N 3.2Å; I38-S42 PolarHBondContact O-OG 3.11Å; I38-L66 HydrophobicContact CD1-CD2 4.49Å; I38-L66 HydrophobicContact CG1-CD2 3.77Å
39L97.5Very high97.8Very high116 Ų11656.1 Ų56.161%0.60729%0.287SS*.Hα-helixtrans-65.2-50.6179-73171.1000112.1C35 L36 L37 S42 F43C35-L39 VanDerWaalsContact O-CG 3.3Å; C35-L39 WeakPolarHBondContact O-CG 3.47Å; C35-L39 PolarHBondContact O-N 3.23Å; L36-L39 PolarHBondContact O-N 2.97Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.31Å; L39-S42 PolarHBondContact O-N 3.45Å; L39-F43 PolarHBondContact O-N 3.09Å
40I97.9Very high97.9Very high73 Ų7356.1 Ų56.137%0.37429%0.293SS..Hα-helixtrans-60.3-51179-69.4173.1000110.1L36 L37 S42 F43 F44L36-I40 HydrophobicContact CD1-CD1 3.93Å; L36-I40 HydrophobicContact CD1-CG1 4.25Å; L36-I40 HydrophobicContact CD2-CD1 4.43Å; L36-I40 HydrophobicContact CG-CD1 3.77Å; L36-I40 HydrophobicContact CG-CG1 4.43Å; L36-I40 WeakPolarHBondContact O-CB 3.44Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.35Å; L36-I40 PolarHBondContact O-N 3.27Å; L37-I40 PolarHBondContact O-N 3.14Å; I40-S42 VanDerWaalsContact C-N 3.31Å; I40-S42 PolarHBondContact O-N 2.98Å; I40-F43 WeakPolarHBondContact O-CB 3.42Å; I40-F43 PolarHBondContact O-N 3.08Å; I40-F44 HydrophobicContact CG2-CD2 3.62Å; I40-F44 HydrophobicContact CG2-CE2 3.47Å; I40-F44 VanDerWaalsContact CG2-CE2 3.47Å; I40-F44 WeakPolarHBondContact O-CD2 3.31Å; I40-F44 PolarHBondContact O-N 2.99Å
41G98.1Very high97.9Very high1 Ų164.7 Ų64.71%0.0133%0.331CS..Hα-helixtrans-59.5-41.6176.100000112.3L37 F43 F44 Y45 Y65L37-G41 PolarHBondContact O-N 3.02Å; G41-F43 VanDerWaalsContact C-N 3.33Å; G41-F43 PolarHBondContact O-N 2.95Å; G41-F44 PolarHBondContact O-N 3.29Å; G41-Y45 VanDerWaalsContact O-CB 3.3Å; G41-Y45 WeakPolarHBondContact O-CB 3.3Å; G41-Y45 VanDerWaalsContact O-CD2 3.3Å; G41-Y45 WeakPolarHBondContact O-CD2 3.41Å; G41-Y45 PolarHBondContact O-N 3.08Å; G41-Y65 VanDerWaalsContact CA-CE1 3.47Å; G41-Y65 PolarHBondContact N-OH 2.96Å
42S98Very high97.8Very high4 Ų467.9 Ų67.93%0.02834%0.342CS..Hα-helixtrans-62.7-42.3178.6-630000111.5I38 L39 I40 S46 I130I38-S42 WeakPolarHBondContact O-CA 3.19Å; I38-S42 WeakPolarHBondContact O-CB 3.02Å; I38-S42 PolarHBondContact O-N 3.2Å; I38-S42 PolarHBondContact O-OG 3.11Å; L39-S42 PolarHBondContact O-N 3.45Å; I40-S42 VanDerWaalsContact C-N 3.31Å; I40-S42 PolarHBondContact O-N 2.98Å; S42-S46 WeakPolarHBondContact O-CB 3.44Å; S42-S46 PolarHBondContact O-N 3.32Å; S42-S46 PolarHBondContact O-OG 3.18Å; S42-I130 VanDerWaalsContact CA-CD1 3.48Å; S42-I130 WeakPolarHBondContact O-CD1 3.35Å
43F98.3Very high97.8Very high93 Ų9365.6 Ų65.641%0.40833%0.33SS..Hα-helixtrans-58.5-56.3174.3176.6-106.2000111.3L39 I40 G41 Y45 S46 I47 F126L39-F43 PolarHBondContact O-N 3.09Å; I40-F43 WeakPolarHBondContact O-CB 3.42Å; I40-F43 PolarHBondContact O-N 3.08Å; G41-F43 VanDerWaalsContact C-N 3.33Å; G41-F43 PolarHBondContact O-N 2.95Å; F43-Y45 PolarHBondContact O-N 3.42Å; F43-S46 PolarHBondContact O-N 2.65Å; F43-S46 PolarHBondContact O-OG 3.02Å; F43-I47 HydrophobicContact CE1-CD1 3.98Å; F43-I47 HydrophobicContact CE2-CD1 4.08Å; F43-I47 HydrophobicContact CZ-CD1 3.74Å; F43-I47 PolarHBondContact O-N 2.87Å; F43-F126 HydrophobicContact CB-CD2 4.22Å; F43-F126 HydrophobicContact CB-CE2 4.43Å; F43-F126 HydrophobicContact CD2-CD1 4.42Å; F43-F126 HydrophobicContact CD2-CD2 4.23Å; F43-F126 AromaticContact CD2-CE1 3.92Å; F43-F126 HydrophobicContact CD2-CE1 3.92Å; F43-F126 AromaticContact CD2-CE2 3.71Å; F43-F126 HydrophobicContact CD2-CE2 3.71Å; F43-F126 AromaticContact CD2-CZ 3.55Å; F43-F126 HydrophobicContact CD2-CZ 3.55Å; F43-F126 HydrophobicContact CE2-CE1 4.43Å; F43-F126 HydrophobicContact CE2-CZ 4.05Å
44F98.3Very high97.7Very high130 Ų13068.3 Ų68.357%0.5734%0.335SS*.Hα-helixtrans-61.6-44.3-178.4-76.1-65.7000113.3I40 G41 I47 R48I40-F44 HydrophobicContact CG2-CD2 3.62Å; I40-F44 HydrophobicContact CG2-CE2 3.47Å; I40-F44 VanDerWaalsContact CG2-CE2 3.47Å; I40-F44 WeakPolarHBondContact O-CD2 3.31Å; I40-F44 PolarHBondContact O-N 2.99Å; G41-F44 PolarHBondContact O-N 3.29Å; F44-I47 PolarHBondContact O-N 3.25Å; F44-R48 WeakPolarHBondContact O-CB 3.48Å; F44-R48 PolarHBondContact O-N 2.86Å
45Y98.3Very high97.7Very high47 Ų4772.4 Ų72.418%0.18435%0.352CS..Hα-helixtrans-71.8-30.5179.8-84.2-101.3000112.2G41 F43 I47 R48 L49 M61 F62 Y65G41-Y45 VanDerWaalsContact O-CB 3.3Å; G41-Y45 WeakPolarHBondContact O-CB 3.3Å; G41-Y45 VanDerWaalsContact O-CD2 3.3Å; G41-Y45 WeakPolarHBondContact O-CD2 3.41Å; G41-Y45 PolarHBondContact O-N 3.08Å; F43-Y45 PolarHBondContact O-N 3.42Å; Y45-I47 VanDerWaalsContact C-N 3.3Å; Y45-I47 PolarHBondContact O-N 2.97Å; Y45-R48 PolarHBondContact O-N 3.3Å; Y45-L49 HydrophobicContact CD1-CD1 4.43Å; Y45-L49 HydrophobicContact CD1-CG 4.41Å; Y45-L49 WeakPolarHBondContact O-CB 3.31Å; Y45-L49 WeakPolarHBondContact O-CG 3.46Å; Y45-L49 PolarHBondContact O-N 3.42Å; Y45-M61 HydrophobicContact CE1-CB 3.87Å; Y45-M61 WeakPolarHBondContact CE1-O 3.24Å; Y45-M61 PolarHBondContact OH-O 3.09Å; Y45-F62 HydrophobicContact CD1-CB 4.17Å; Y45-F62 HydrophobicContact CD1-CD2 4.02Å; Y45-F62 AromaticContact CD2-CD2 3.93Å; Y45-F62 HydrophobicContact CD2-CD2 3.93Å; Y45-F62 HydrophobicContact CD2-CE2 4.37Å; Y45-F62 HydrophobicContact CE1-CB 4.48Å; Y45-F62 HydrophobicContact CE2-CD2 4.49Å; Y45-F62 AromaticContact CG-CD2 3.66Å; Y45-F62 HydrophobicContact CG-CD2 3.66Å; Y45-F62 HydrophobicContact CG-CE2 4.35Å; Y45-Y65 AromaticContact CE2-CD2 3.98Å; Y45-Y65 HydrophobicContact CE2-CD2 3.98Å; Y45-Y65 AromaticContact CE2-CG 3.82Å; Y45-Y65 HydrophobicContact CE2-CG 3.82Å
46S97.6Very high97.7Very high7 Ų770.2 Ų70.25%0.04933%0.334CS..Hα-helixtrans-59.6-43.6174.2720000111.4S42 F43 A50 F126S42-S46 WeakPolarHBondContact O-CB 3.44Å; S42-S46 PolarHBondContact O-N 3.32Å; S42-S46 PolarHBondContact O-OG 3.18Å; F43-S46 PolarHBondContact O-N 2.65Å; F43-S46 PolarHBondContact O-OG 3.02Å; S46-A50 VanDerWaalsContact O-CB 3.31Å; S46-A50 WeakPolarHBondContact O-CB 3.33Å; S46-A50 PolarHBondContact O-N 3.26Å; S46-F126 VanDerWaalsContact OG-CD1 3.27Å; S46-F126 WeakPolarHBondContact OG-CD1 3.47Å
47I98Very high97.6Very high79 Ų7967.3 Ų67.341%0.40532%0.318SS..Hα-helixtrans-67-53.5175.9-60.9171.6000110.1F43 F44 Y45 L49 A50 F51F43-I47 HydrophobicContact CE1-CD1 3.98Å; F43-I47 HydrophobicContact CE2-CD1 4.08Å; F43-I47 HydrophobicContact CZ-CD1 3.74Å; F43-I47 PolarHBondContact O-N 2.87Å; F44-I47 PolarHBondContact O-N 3.25Å; Y45-I47 VanDerWaalsContact C-N 3.3Å; Y45-I47 PolarHBondContact O-N 2.97Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.44Å; I47-A50 WeakPolarHBondContact O-CB 3.35Å; I47-A50 PolarHBondContact O-N 2.85Å; I47-A50 VanDerWaalsContact O-N 3.14Å; I47-F51 HydrophobicContact CG2-CD2 4.29Å; I47-F51 HydrophobicContact CG2-CE2 3.82Å; I47-F51 VanDerWaalsContact O-CD2 3.23Å; I47-F51 WeakPolarHBondContact O-CD2 3.45Å; I47-F51 PolarHBondContact O-N 3.49Å
48R98.2Very high97.6Very high142 Ų14265.7 Ų65.754%0.53631%0.309SS..Hα-helixtrans-56.3-42.4-178.3178.8-179.9171.383.3-1.7112.4F44 Y45F44-R48 WeakPolarHBondContact O-CB 3.48Å; F44-R48 PolarHBondContact O-N 2.86Å; Y45-R48 PolarHBondContact O-N 3.3Å
49L98Very high97.6Very high0 Ų063.9 Ų63.90%030%0.301CS..Hα-helixtrans-79-26.3-177.7-61.2-178.7000112.1Y45 I47 F51 R52 G53 N58 M61 I130 L133Y45-L49 HydrophobicContact CD1-CD1 4.43Å; Y45-L49 HydrophobicContact CD1-CG 4.41Å; Y45-L49 WeakPolarHBondContact O-CB 3.31Å; Y45-L49 WeakPolarHBondContact O-CG 3.46Å; Y45-L49 PolarHBondContact O-N 3.42Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.44Å; L49-F51 VanDerWaalsContact C-N 3.31Å; L49-F51 PolarHBondContact O-N 3.47Å; L49-R52 PolarHBondContact O-N 3.05Å; L49-G53 PolarHBondContact O-N 3.01Å; L49-N58 HydrophobicContact CD1-CB 3.95Å; L49-N58 HydrophobicContact CD2-CB 3.96Å; L49-N58 HydrophobicContact CG-CB 4.47Å; L49-M61 HydrophobicContact CD2-CE 3.36Å; L49-I130 HydrophobicContact CD1-CG1 4.27Å; L49-I130 HydrophobicContact CD1-CG2 3.94Å; L49-L133 HydrophobicContact CB-CB 4.28Å; L49-L133 HydrophobicContact CB-CD1 3.66Å
50A97.3Very high97.6Very high60 Ų6062.3 Ų62.350%0.49629%0.287SS..Hα-helixtrans-58.3-44.7173.200000111S46 I47 R52 G53S46-A50 VanDerWaalsContact O-CB 3.31Å; S46-A50 WeakPolarHBondContact O-CB 3.33Å; S46-A50 PolarHBondContact O-N 3.26Å; I47-A50 WeakPolarHBondContact O-CB 3.35Å; I47-A50 PolarHBondContact O-N 2.85Å; I47-A50 VanDerWaalsContact O-N 3.14Å; A50-R52 PolarHBondContact O-N 3.39Å; A50-G53 PolarHBondContact O-N 3.06Å
51F97.2Very high97.7Very high183 Ų18359.9 Ų59.980%0.80327%0.274SS*.THydrogen-bonded Turntrans-66.8-21.4174.3-69-74.3000114.1I47 L49I47-F51 HydrophobicContact CG2-CD2 4.29Å; I47-F51 HydrophobicContact CG2-CE2 3.82Å; I47-F51 VanDerWaalsContact O-CD2 3.23Å; I47-F51 WeakPolarHBondContact O-CD2 3.45Å; I47-F51 PolarHBondContact O-N 3.49Å; L49-F51 VanDerWaalsContact C-N 3.31Å; L49-F51 PolarHBondContact O-N 3.47Å
52R96.8Very high97.7Very high98 Ų9860.3 Ų60.337%0.3728%0.276SS..THydrogen-bonded Turntrans-87.1-17.7177-69.5-176.766.186.7-3.2113.5L49 A50 K55L49-R52 PolarHBondContact O-N 3.05Å; A50-R52 PolarHBondContact O-N 3.39Å; R52-K55 WeakPolarHBondContact O-CE 3.45Å; R52-K55 PolarHBondContact O-NZ 3.32Å
53G96.6Very high97.7Very high29 Ų2960.5 Ų60.530%0.29928%0.277SS..  trans68.7-174.3-170.300000113.3L49 A50 K55 N58L49-G53 PolarHBondContact O-N 3.01Å; A50-G53 PolarHBondContact O-N 3.06Å; G53-K55 PolarHBondContact O-N 3.25Å; G53-N58 PolarHBondContact O-ND2 2.67Å
54R96.9Very high97.7Very high116 Ų11659.3 Ų59.344%0.43827%0.271SS..SBendtrans-78105.5-174.8-58.9-177.972.3-166.1-1.5111.8W132 L133 K135R54-W132 HydrophobicContact CG-CE3 4.34Å; R54-W132 HydrophobicContact CG-CH2 4.14Å; R54-W132 HydrophobicContact CG-CZ2 4.45Å; R54-W132 HydrophobicContact CG-CZ3 4.07Å; R54-W132 PolarHBondContact NE-O 3.17Å; R54-W132 PolarHBondContact NH2-O 3.25Å; R54-L133 VanDerWaalsContact CA-O 3.29Å; R54-L133 WeakPolarHBondContact CA-O 2.94Å; R54-L133 HydrophobicContact CG-CD2 4.15Å; R54-K135 HydrophobicContact CB-CG 4.34Å; R54-K135 WeakPolarHBondContact O-CE 3.39Å
55K97.3Very high97.7Very high91 Ų9154.8 Ų54.840%0.39625%0.251SS..  trans-133.9147.8-176.4-65.9-177.1176.1173.20111.5R52 G53 E57 N58 L133R52-K55 WeakPolarHBondContact O-CE 3.45Å; R52-K55 PolarHBondContact O-NZ 3.32Å; G53-K55 PolarHBondContact O-N 3.25Å; K55-E57 PolarHBondContact O-N 2.95Å; K55-N58 PolarHBondContact N-ND2 3.26Å; K55-N58 WeakPolarHBondContact O-CB 3.42Å; K55-N58 PolarHBondContact O-N 2.58Å; K55-L133 PolarHBondContact N-O 3.19Å; K55-L133 VanDerWaalsContact N-O 3.13Å
56Y96.8Very high97.7Very high25 Ų2553.1 Ų53.110%0.09825%0.245CC..THydrogen-bonded Turntrans-70.4-20.1178.9-69.6-78.3000112.7N58 K135 N161 V163Y56-N58 VanDerWaalsContact C-N 3.25Å; Y56-N58 PolarHBondContact O-N 3.27Å; Y56-K135 HydrophobicContact CD1-CB 4.01Å; Y56-K135 HydrophobicContact CD1-CD 3.87Å; Y56-K135 HydrophobicContact CD2-CD 3.69Å; Y56-K135 HydrophobicContact CE1-CB 3.8Å; Y56-K135 HydrophobicContact CE1-CD 3.64Å; Y56-K135 HydrophobicContact CE1-CG 4.4Å; Y56-K135 HydrophobicContact CE2-CD 3.43Å; Y56-K135 VanDerWaalsContact CE2-CD 3.43Å; Y56-K135 HydrophobicContact CG-CD 3.91Å; Y56-K135 VanDerWaalsContact CZ-CD 3.43Å; Y56-N161 HydrophobicContact CD2-CB 4.26Å; Y56-N161 HydrophobicContact CE2-CB 3.62Å; Y56-V163 HydrophobicContact CD1-CB 4.18Å; Y56-V163 HydrophobicContact CD1-CG1 3.84Å; Y56-V163 HydrophobicContact CD1-CG2 3.97Å; Y56-V163 HydrophobicContact CD2-CG1 3.6Å; Y56-V163 HydrophobicContact CE1-CG1 4.32Å; Y56-V163 HydrophobicContact CE1-CG2 3.82Å; Y56-V163 HydrophobicContact CE2-CG1 4.1Å; Y56-V163 HydrophobicContact CG-CB 4.27Å; Y56-V163 HydrophobicContact CG-CG1 3.44Å; Y56-V163 VanDerWaalsContact CG-CG1 3.44Å; Y56-V163 HydrophobicContact CG-CG2 4.39Å
57E97.2Very high97.7Very high40 Ų4052.9 Ų52.919%0.18724%0.243CC..Hα-helixtrans-75.8-12.4174.9-62.884.317000113.8K55 W60 M61 K111 R112K55-E57 PolarHBondContact O-N 2.95Å; E57-W60 PolarHBondContact O-N 3.42Å; E57-M61 PolarHBondContact O-N 3.03Å; E57-K111 VanDerWaalsContact CA-O 3.3Å; E57-K111 WeakPolarHBondContact CA-O 3.09Å; E57-K111 HydrophobicContact CG-CG 4.35Å; E57-R112 HydrophobicContact CG-CG 3.99Å; E57-R112 WeakPolarHBondContact OE1-CG 3.4Å; E57-R112 IonicContact OE1-CZ 3.88Å; E57-R112 IonicContact OE1-NE 3.66Å; E57-R112 IonicContact OE1-NH1 2.88Å; E57-R112 PolarHBondContact OE1-NH1 2.65Å; E57-R112 IonicContact OE2-NH1 2.89Å
58N98.2Very high97.7Very high0 Ų054.1 Ų54.10%025%0.246CC..Hα-helixtrans-67.3-38.8-176-70.8-11000112L49 G53 K55 Y56 W60 M61 F62 L133 S134L49-N58 HydrophobicContact CD1-CB 3.95Å; L49-N58 HydrophobicContact CD2-CB 3.96Å; L49-N58 HydrophobicContact CG-CB 4.47Å; G53-N58 PolarHBondContact O-ND2 2.67Å; K55-N58 PolarHBondContact N-ND2 3.26Å; K55-N58 WeakPolarHBondContact O-CB 3.42Å; K55-N58 PolarHBondContact O-N 2.58Å; Y56-N58 VanDerWaalsContact C-N 3.25Å; Y56-N58 PolarHBondContact O-N 3.27Å; N58-W60 VanDerWaalsContact C-N 3.31Å; N58-W60 PolarHBondContact O-N 2.94Å; N58-M61 HydrophobicContact CB-CE 4.39Å; N58-M61 PolarHBondContact O-N 3.45Å; N58-M61 WeakPolarHBondContact OD1-CE 3.47Å; N58-F62 PolarHBondContact O-N 2.88Å; N58-L133 PolarHBondContact ND2-O 3.14Å; N58-S134 WeakPolarHBondContact CB-OG 3.5Å
59A97.4Very high97.7Very high7 Ų747.3 Ų47.36%0.05822%0.22CC..Hα-helixtrans-57.8-45.6175.500000111.1M61 F62 V63 W109 S134A59-M61 VanDerWaalsContact C-N 3.35Å; A59-M61 PolarHBondContact O-N 3.42Å; A59-F62 PolarHBondContact O-N 3.37Å; A59-V63 WeakPolarHBondContact O-CB 3.16Å; A59-V63 VanDerWaalsContact O-CG2 3.27Å; A59-V63 WeakPolarHBondContact O-CG2 3.35Å; A59-V63 PolarHBondContact O-N 3.43Å; A59-W109 HydrophobicContact CB-CZ2 4.26Å; A59-S134 PolarHBondContact N-OG 3.48Å
60W98.1Very high97.8Very high84 Ų8447.4 Ų47.432%0.31822%0.221SC..Hα-helixtrans-57.4-45.7-179177.885.4000112.2E57 N58 F62 V63 K64 W109 K111E57-W60 PolarHBondContact O-N 3.42Å; N58-W60 VanDerWaalsContact C-N 3.31Å; N58-W60 PolarHBondContact O-N 2.94Å; W60-F62 VanDerWaalsContact C-N 3.35Å; W60-F62 PolarHBondContact O-N 2.83Å; W60-V63 PolarHBondContact O-N 3.24Å; W60-K64 HydrophobicContact CD2-CG 4.3Å; W60-K64 HydrophobicContact CZ2-CG 4.19Å; W60-K64 WeakPolarHBondContact O-CG 3.3Å; W60-K64 PolarHBondContact O-N 2.69Å; W60-W109 VanDerWaalsContact CD1-O 3.23Å; W60-K111 HydrophobicContact CD2-CG 4.36Å; W60-K111 HydrophobicContact CG-CB 4.44Å; W60-K111 HydrophobicContact CG-CG 4.41Å
61M98.1Very high97.8Very high21 Ų2149 Ų4910%0.10321%0.214CC..Hα-helixtrans-64.3-39.5-179.9-62.4-178.6-78.900112.4Y45 L49 E57 N58 A59 Y65Y45-M61 HydrophobicContact CE1-CB 3.87Å; Y45-M61 WeakPolarHBondContact CE1-O 3.24Å; Y45-M61 PolarHBondContact OH-O 3.09Å; L49-M61 HydrophobicContact CD2-CE 3.36Å; E57-M61 PolarHBondContact O-N 3.03Å; N58-M61 HydrophobicContact CB-CE 4.39Å; N58-M61 PolarHBondContact O-N 3.45Å; N58-M61 WeakPolarHBondContact OD1-CE 3.47Å; A59-M61 VanDerWaalsContact C-N 3.35Å; A59-M61 PolarHBondContact O-N 3.42Å; M61-Y65 PolarHBondContact O-N 3.27Å
62F98.2Very high97.8Very high10 Ų1045.7 Ų45.74%0.04420%0.203CC..Hα-helixtrans-75.9-37.1179.5-171.8-119000111.9Y45 N58 A59 W60 K64 Y65 L66 L127 I130Y45-F62 HydrophobicContact CD1-CB 4.17Å; Y45-F62 HydrophobicContact CD1-CD2 4.02Å; Y45-F62 AromaticContact CD2-CD2 3.93Å; Y45-F62 HydrophobicContact CD2-CD2 3.93Å; Y45-F62 HydrophobicContact CD2-CE2 4.37Å; Y45-F62 HydrophobicContact CE1-CB 4.48Å; Y45-F62 HydrophobicContact CE2-CD2 4.49Å; Y45-F62 AromaticContact CG-CD2 3.66Å; Y45-F62 HydrophobicContact CG-CD2 3.66Å; Y45-F62 HydrophobicContact CG-CE2 4.35Å; N58-F62 PolarHBondContact O-N 2.88Å; A59-F62 PolarHBondContact O-N 3.37Å; W60-F62 VanDerWaalsContact C-N 3.35Å; W60-F62 PolarHBondContact O-N 2.83Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 3.41Å; F62-Y65 HydrophobicContact CD2-CD1 4.22Å; F62-Y65 AromaticContact CE2-CD1 3.92Å; F62-Y65 HydrophobicContact CE2-CD1 3.92Å; F62-Y65 HydrophobicContact CE2-CE1 4.47Å; F62-Y65 CarbonylContact O-C 3.56Å; F62-Y65 WeakPolarHBondContact O-CA 3.48Å; F62-Y65 VanDerWaalsContact O-CB 3.29Å; F62-Y65 WeakPolarHBondContact O-CB 3.37Å; F62-Y65 PolarHBondContact O-N 2.99Å; F62-Y65 VanDerWaalsContact O-N 3.1Å; F62-L66 HydrophobicContact CD1-CD1 3.93Å; F62-L66 HydrophobicContact CD1-CG 4.25Å; F62-L66 HydrophobicContact CE1-CD1 3.76Å; F62-L66 HydrophobicContact CE1-CD2 4.11Å; F62-L66 HydrophobicContact CE1-CG 4.04Å; F62-L66 HydrophobicContact CZ-CD1 4.48Å; F62-L66 HydrophobicContact CZ-CD2 4.01Å; F62-L66 HydrophobicContact CZ-CG 4.31Å; F62-L66 WeakPolarHBondContact O-CG 3.19Å; F62-L66 PolarHBondContact O-N 3.41Å; F62-L127 HydrophobicContact CE1-CD1 3.51Å; F62-L127 HydrophobicContact CZ-CD1 4.01Å; F62-I130 HydrophobicContact CB-CG2 4.13Å; F62-I130 HydrophobicContact CD1-CD1 4.47Å; F62-I130 HydrophobicContact CD1-CG2 3.76Å; F62-I130 HydrophobicContact CD2-CD1 3.97Å; F62-I130 HydrophobicContact CE1-CD1 4.26Å; F62-I130 HydrophobicContact CE1-CG2 4.3Å; F62-I130 HydrophobicContact CE2-CD1 3.75Å; F62-I130 HydrophobicContact CG-CD1 4.32Å; F62-I130 HydrophobicContact CG-CG2 3.9Å; F62-I130 HydrophobicContact CZ-CD1 3.9Å
63V98.1Very high97.9Very high8 Ų841.4 Ų41.45%0.04819%0.187CC..Hα-helixtrans-65.2-36.9175.5169.60000111.4A59 W60 Y65 L66 A67 V102 W109A59-V63 WeakPolarHBondContact O-CB 3.16Å; A59-V63 VanDerWaalsContact O-CG2 3.27Å; A59-V63 WeakPolarHBondContact O-CG2 3.35Å; A59-V63 PolarHBondContact O-N 3.43Å; W60-V63 PolarHBondContact O-N 3.24Å; V63-Y65 VanDerWaalsContact C-N 3.29Å; V63-Y65 PolarHBondContact O-N 3.26Å; V63-L66 PolarHBondContact O-N 3.3Å; V63-L66 VanDerWaalsContact O-N 3.17Å; V63-A67 WeakPolarHBondContact O-CB 3.4Å; V63-A67 PolarHBondContact O-N 3.41Å; V63-V102 HydrophobicContact CG2-CG2 4.2Å; V63-W109 HydrophobicContact CB-CD2 4.16Å; V63-W109 HydrophobicContact CB-CG 4.1Å; V63-W109 HydrophobicContact CG1-CB 3.78Å; V63-W109 HydrophobicContact CG1-CD2 3.81Å; V63-W109 HydrophobicContact CG1-CE3 3.96Å; V63-W109 HydrophobicContact CG1-CG 3.74Å; V63-W109 HydrophobicContact CG2-CD2 3.93Å; V63-W109 HydrophobicContact CG2-CE3 4.23Å; V63-W109 HydrophobicContact CG2-CG 4.36Å; V63-W109 HydrophobicContact CG2-CH2 4.42Å; V63-W109 HydrophobicContact CG2-CZ2 4.16Å; V63-W109 HydrophobicContact CG2-CZ3 4.47Å
64K98.3Very high97.9Very high68 Ų6840.6 Ų40.630%0.29618%0.178SC..Hα-helixtrans-61.3-37.6170.7-70-62.9-177.8-169.90112.2W60 F62 A67 F68 G106 D107W60-K64 HydrophobicContact CD2-CG 4.3Å; W60-K64 HydrophobicContact CZ2-CG 4.19Å; W60-K64 WeakPolarHBondContact O-CG 3.3Å; W60-K64 PolarHBondContact O-N 2.69Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 3.41Å; K64-A67 WeakPolarHBondContact O-CB 3.44Å; K64-A67 PolarHBondContact O-N 3.45Å; K64-F68 PolarHBondContact O-N 2.62Å; K64-G106 WeakPolarHBondContact CD-O 3.46Å; K64-G106 VanDerWaalsContact CE-O 3.32Å; K64-G106 WeakPolarHBondContact CE-O 3.13Å; K64-G106 PolarHBondContact NZ-O 3.36Å; K64-D107 PolarHBondContact NZ-O 3.3Å
65Y98.4Very high98Very high35 Ų3535.1 Ų35.114%0.13716%0.158CC..Hα-helixtrans-64.4-43.3171.4172.3-94.1000112.4L37 G41 Y45 M61 F62 V63 A67 F68 A69L37-Y65 WeakPolarHBondContact O-CE1 3.36Å; L37-Y65 PolarHBondContact O-OH 3.29Å; G41-Y65 VanDerWaalsContact CA-CE1 3.47Å; G41-Y65 PolarHBondContact N-OH 2.96Å; Y45-Y65 AromaticContact CE2-CD2 3.98Å; Y45-Y65 HydrophobicContact CE2-CD2 3.98Å; Y45-Y65 AromaticContact CE2-CG 3.82Å; Y45-Y65 HydrophobicContact CE2-CG 3.82Å; M61-Y65 PolarHBondContact O-N 3.27Å; F62-Y65 HydrophobicContact CD2-CD1 4.22Å; F62-Y65 AromaticContact CE2-CD1 3.92Å; F62-Y65 HydrophobicContact CE2-CD1 3.92Å; F62-Y65 HydrophobicContact CE2-CE1 4.47Å; F62-Y65 CarbonylContact O-C 3.56Å; F62-Y65 WeakPolarHBondContact O-CA 3.48Å; F62-Y65 VanDerWaalsContact O-CB 3.29Å; F62-Y65 WeakPolarHBondContact O-CB 3.37Å; F62-Y65 PolarHBondContact O-N 2.99Å; F62-Y65 VanDerWaalsContact O-N 3.1Å; V63-Y65 VanDerWaalsContact C-N 3.29Å; V63-Y65 PolarHBondContact O-N 3.26Å; Y65-A67 VanDerWaalsContact C-N 3.3Å; Y65-A67 PolarHBondContact O-N 2.96Å; Y65-F68 WeakPolarHBondContact O-CB 3.27Å; Y65-F68 PolarHBondContact O-N 3.44Å; Y65-F68 VanDerWaalsContact O-N 3.16Å; Y65-A69 PolarHBondContact O-N 2.88Å
66L98.4Very high98Very high12 Ų1234.1 Ų34.16%0.06316%0.157CC..Hα-helixtrans-64-35.7176.1-64.9176.5000112.2I38 F62 V63 F68 A69 G70 V102 T103I38-L66 HydrophobicContact CD1-CD2 4.49Å; I38-L66 HydrophobicContact CG1-CD2 3.77Å; F62-L66 HydrophobicContact CD1-CD1 3.93Å; F62-L66 HydrophobicContact CD1-CG 4.25Å; F62-L66 HydrophobicContact CE1-CD1 3.76Å; F62-L66 HydrophobicContact CE1-CD2 4.11Å; F62-L66 HydrophobicContact CE1-CG 4.04Å; F62-L66 HydrophobicContact CZ-CD1 4.48Å; F62-L66 HydrophobicContact CZ-CD2 4.01Å; F62-L66 HydrophobicContact CZ-CG 4.31Å; F62-L66 WeakPolarHBondContact O-CG 3.19Å; F62-L66 PolarHBondContact O-N 3.41Å; V63-L66 PolarHBondContact O-N 3.3Å; V63-L66 VanDerWaalsContact O-N 3.17Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-A69 PolarHBondContact O-N 3.3Å; L66-G70 PolarHBondContact O-N 3.34Å; L66-V102 HydrophobicContact CB-CG1 4.5Å; L66-V102 HydrophobicContact CD1-CB 4.42Å; L66-V102 HydrophobicContact CD1-CG1 3.87Å; L66-V102 HydrophobicContact CD1-CG2 3.64Å; L66-T103 WeakPolarHBondContact O-CG2 3.33Å
67A98.4Very high98.1Very high2 Ų233.6 Ų33.62%0.01716%0.157CC..Hα-helixtrans-64.1-39.717300000111.7V63 K64 Y65 G70 R71V63-A67 WeakPolarHBondContact O-CB 3.4Å; V63-A67 PolarHBondContact O-N 3.41Å; K64-A67 WeakPolarHBondContact O-CB 3.44Å; K64-A67 PolarHBondContact O-N 3.45Å; Y65-A67 VanDerWaalsContact C-N 3.3Å; Y65-A67 PolarHBondContact O-N 2.96Å; A67-G70 PolarHBondContact O-N 2.99Å; A67-R71 VanDerWaalsContact C-NH1 3.25Å; A67-R71 WeakPolarHBondContact O-CG 3.23Å; A67-R71 PolarHBondContact O-N 2.84Å; A67-R71 PolarHBondContact O-NH1 2.7Å
68F98.4Very high98.1Very high105 Ų10535.2 Ų35.246%0.46117%0.169SC..Hα-helixtrans-63.4-45.5171.2168.3-99.5000111.3K64 Y65 L66 G70 R71 M72K64-F68 PolarHBondContact O-N 2.62Å; Y65-F68 WeakPolarHBondContact O-CB 3.27Å; Y65-F68 PolarHBondContact O-N 3.44Å; Y65-F68 VanDerWaalsContact O-N 3.16Å; L66-F68 VanDerWaalsContact C-N 3.34Å; F68-G70 VanDerWaalsContact C-N 3.27Å; F68-G70 PolarHBondContact O-N 3.37Å; F68-R71 WeakPolarHBondContact O-CB 3.21Å; F68-R71 PolarHBondContact O-N 2.81Å; F68-M72 HydrophobicContact CD1-CG 4.31Å; F68-M72 HydrophobicContact CE1-CG 3.81Å; F68-M72 HydrophobicContact CE1-SD 4.31Å; F68-M72 HydrophobicContact CE2-CG 4.09Å; F68-M72 HydrophobicContact CE2-SD 3.84Å; F68-M72 HydrophobicContact CZ-CG 3.69Å; F68-M72 HydrophobicContact CZ-SD 3.59Å; F68-M72 VanDerWaalsContact CZ-SD 3.59Å; F68-M72 WeakPolarHBondContact O-CG 3.27Å; F68-M72 PolarHBondContact O-N 2.95Å
69A98.4Very high98.1Very high0 Ų037.5 Ų37.50%018%0.183CC..Hα-helixtrans-59.9-36.8176.900000112.6L34 L37 Y65 L66 M72 I73L34-A69 HydrophobicContact CD1-CB 4.15Å; L37-A69 HydrophobicContact CB-CB 3.96Å; L37-A69 HydrophobicContact CD1-CB 3.9Å; Y65-A69 PolarHBondContact O-N 2.88Å; L66-A69 PolarHBondContact O-N 3.3Å; A69-M72 PolarHBondContact O-N 2.82Å; A69-I73 PolarHBondContact O-N 2.92Å
70G98.4Very high98.2Very high1 Ų139.7 Ų39.71%0.0119%0.192CC..Hα-helixtrans-59.6-46.5170.900000112.7L66 A67 F68 M72 I73 G74 L75L66-G70 PolarHBondContact O-N 3.34Å; A67-G70 PolarHBondContact O-N 2.99Å; F68-G70 VanDerWaalsContact C-N 3.27Å; F68-G70 PolarHBondContact O-N 3.37Å; G70-M72 VanDerWaalsContact C-N 3.29Å; G70-M72 PolarHBondContact O-N 3.4Å; G70-I73 WeakPolarHBondContact O-CG1 3.48Å; G70-I73 PolarHBondContact O-N 3.45Å; G70-I73 VanDerWaalsContact O-N 3.09Å; G70-G74 PolarHBondContact O-N 3.27Å; G70-L75 WeakPolarHBondContact O-CB 3.24Å; G70-L75 PolarHBondContact O-N 2.97Å
71R98.4Very high98.2Very high94 Ų9438.2 Ų38.236%0.35519%0.19SC..Hα-helixtrans-60.7-38.3176.9-69.4173.2-17992.4-6.6112.5A67 F68 I73 G74 L75 D107A67-R71 VanDerWaalsContact C-NH1 3.25Å; A67-R71 WeakPolarHBondContact O-CG 3.23Å; A67-R71 PolarHBondContact O-N 2.84Å; A67-R71 PolarHBondContact O-NH1 2.7Å; F68-R71 WeakPolarHBondContact O-CB 3.21Å; F68-R71 PolarHBondContact O-N 2.81Å; R71-I73 PolarHBondContact O-N 2.88Å; R71-G74 PolarHBondContact O-N 2.96Å; R71-L75 WeakPolarHBondContact CA-O 3.39Å; R71-L75 WeakPolarHBondContact CG-O 3.34Å; R71-D107 IonicContact CZ-OD1 3.95Å; R71-D107 IonicContact CZ-OD2 3.74Å; R71-D107 IonicContact NH1-OD1 2.65Å; R71-D107 IonicContact NH2-OD1 2.67Å; R71-D107 PolarHBondContact NH2-OD1 3.33Å; R71-D107 IonicContact NH2-OD2 3.8Å; R71-D107 PolarHBondContact NH2-OD2 3.27Å
72M98Very high98.1Very high114 Ų11438.5 Ų38.556%0.56220%0.199SC*.Hα-helixtrans-61.7-24.4176.7-66.7-58.6-6100113.6L37 F68 A69 G70L37-M72 HydrophobicContact CD1-CB 3.91Å; L37-M72 HydrophobicContact CD1-CG 4.33Å; F68-M72 HydrophobicContact CD1-CG 4.31Å; F68-M72 HydrophobicContact CE1-CG 3.81Å; F68-M72 HydrophobicContact CE1-SD 4.31Å; F68-M72 HydrophobicContact CE2-CG 4.09Å; F68-M72 HydrophobicContact CE2-SD 3.84Å; F68-M72 HydrophobicContact CZ-CG 3.69Å; F68-M72 HydrophobicContact CZ-SD 3.59Å; F68-M72 VanDerWaalsContact CZ-SD 3.59Å; F68-M72 WeakPolarHBondContact O-CG 3.27Å; F68-M72 PolarHBondContact O-N 2.95Å; A69-M72 PolarHBondContact O-N 2.82Å; G70-M72 VanDerWaalsContact C-N 3.29Å; G70-M72 PolarHBondContact O-N 3.4Å
73I97.4Very high98.1Very high8 Ų845.2 Ų45.24%0.04123%0.23CC..THydrogen-bonded Turntrans-101.413.5175.665.6160.9000113.2K30 V33 L34 A69 G70 R71 L75 F218K30-I73 HydrophobicContact CB-CB 4.33Å; K30-I73 VanDerWaalsContact CE-O 3.26Å; K30-I73 WeakPolarHBondContact CE-O 3.32Å; K30-I73 HydrophobicContact CG-CB 4.29Å; K30-I73 PolarHBondContact NZ-O 3.18Å; V33-I73 HydrophobicContact CB-CG2 4.11Å; V33-I73 HydrophobicContact CG1-CG2 3.81Å; L34-I73 HydrophobicContact CB-CD1 4.14Å; L34-I73 HydrophobicContact CB-CG2 4.34Å; L34-I73 HydrophobicContact CD1-CD1 4.24Å; L34-I73 HydrophobicContact CD2-CD1 3.97Å; L34-I73 HydrophobicContact CG-CD1 4.33Å; A69-I73 PolarHBondContact O-N 2.92Å; G70-I73 WeakPolarHBondContact O-CG1 3.48Å; G70-I73 PolarHBondContact O-N 3.45Å; G70-I73 VanDerWaalsContact O-N 3.09Å; R71-I73 PolarHBondContact O-N 2.88Å; I73-L75 HydrophobicContact CD1-CD1 3.96Å; I73-L75 HydrophobicContact CD1-CG 4.3Å; I73-L75 HydrophobicContact CG1-CD1 4.27Å; I73-L75 HydrophobicContact CG1-CG 4.22Å; I73-F218 HydrophobicContact CD1-CE1 3.87Å; I73-F218 HydrophobicContact CD1-CZ 3.71Å
74G97.6Very high98.1Very high11 Ų1147.5 Ų47.511%0.11324%0.242CC..THydrogen-bonded Turntrans83.724174.600000115.2G70 R71 N220 A221G70-G74 PolarHBondContact O-N 3.27Å; R71-G74 PolarHBondContact O-N 2.96Å; G74-N220 CarbonylContact O-C 3.52Å; G74-N220 WeakPolarHBondContact O-CA 3.22Å; G74-A221 PolarHBondContact O-N 3.37Å
75L98.4Very high98Very high1 Ų146.8 Ų46.81%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-93.7121.9170.3-65.2176.6000110.5G70 R71 I73 I100 T103 F210 F218 Y223G70-L75 WeakPolarHBondContact O-CB 3.24Å; G70-L75 PolarHBondContact O-N 2.97Å; R71-L75 WeakPolarHBondContact CA-O 3.39Å; R71-L75 WeakPolarHBondContact CG-O 3.34Å; I73-L75 HydrophobicContact CD1-CD1 3.96Å; I73-L75 HydrophobicContact CD1-CG 4.3Å; I73-L75 HydrophobicContact CG1-CD1 4.27Å; I73-L75 HydrophobicContact CG1-CG 4.22Å; L75-I100 HydrophobicContact CD1-CB 4.01Å; L75-I100 HydrophobicContact CD1-CD1 3.85Å; L75-I100 HydrophobicContact CD1-CG1 4.48Å; L75-I100 HydrophobicContact CD1-CG2 4.33Å; L75-I100 HydrophobicContact CD2-CD1 4.13Å; L75-T103 WeakPolarHBondContact CD1-OG1 3.49Å; L75-F210 HydrophobicContact CD2-CD2 4.3Å; L75-F210 HydrophobicContact CD2-CE2 3.58Å; L75-F210 HydrophobicContact CD2-CZ 4.13Å; L75-F218 HydrophobicContact CD1-CZ 4.22Å; L75-F218 HydrophobicContact CD2-CE2 3.74Å; L75-F218 HydrophobicContact CD2-CZ 4.01Å; L75-F218 HydrophobicContact CG-CE2 4.33Å; L75-F218 HydrophobicContact CG-CZ 4.2Å; L75-Y223 HydrophobicContact CB-CE1 4.02Å; L75-Y223 HydrophobicContact CD2-CE1 3.94Å
76N98Very high97.7Very high71 Ų7146 Ų4638%0.3824%0.24SC..EExtended strand (participates in β ladder)trans-125.280.9-178.7-57.2-72.3000109.7A221 T222 Y223N76-A221 PolarHBondContact N-O 3.38Å; N76-T222 VanDerWaalsContact O-CA 3.28Å; N76-T222 WeakPolarHBondContact O-CA 3.36Å; N76-Y223 PolarHBondContact O-N 3.21Å
77P97.9Very high97.3Very high14 Ų1455 Ų559%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-63.1138.5175.127.5-33.6000110.3Y223 V225P77-Y223 CarbonylContact C-O 3.6Å; P77-Y223 WeakPolarHBondContact CA-O 3.36Å; P77-Y223 HydrophobicContact CB-CE1 4.32Å; P77-Y223 HydrophobicContact CB-CE2 4.06Å; P77-V225 HydrophobicContact CB-CG2 3.89Å
78V98.2Very high97Very high73 Ų7358.5 Ų58.544%0.44230%0.298SS..EExtended strand (participates in β ladder)trans-116.5119.7171.3176.80000107.6E80 T222 Y223 K224 V225V78-E80 PolarHBondContact O-N 3.17Å; V78-T222 HydrophobicContact CG2-CG2 3.49Å; V78-T222 VanDerWaalsContact CG2-CG2 3.49Å; V78-Y223 PolarHBondContact N-O 3.32Å; V78-K224 WeakPolarHBondContact O-CA 3.35Å; V78-V225 PolarHBondContact O-N 3.26Å
79V98.3Very high96.7Very high49 Ų4955.2 Ų55.230%0.29729%0.287SS..EExtended strand (participates in β ladder)trans-76.6118178.2-176.50000108.9D107 I108 V225 V227V79-D107 HydrophobicContact CG2-CB 3.89Å; V79-I108 HydrophobicContact CB-CG2 4.16Å; V79-I108 HydrophobicContact CG1-CG2 3.5Å; V79-I108 VanDerWaalsContact CG1-CG2 3.5Å; V79-I108 HydrophobicContact CG2-CG2 3.49Å; V79-I108 VanDerWaalsContact CG2-CG2 3.49Å; V79-V225 WeakPolarHBondContact CA-O 3.49Å; V79-V227 HydrophobicContact CG1-CG2 4.06Å
80E98.1Very high96.5Very high52 Ų5255.2 Ų55.224%0.24329%0.287CS..EExtended strand (participates in β ladder)trans-99137.1172.4-168.8176131.400108.7V78 G82 K224 V225 K226 V227V78-E80 PolarHBondContact O-N 3.17Å; E80-G82 PolarHBondContact O-N 2.77Å; E80-K224 VanDerWaalsContact OE2-CD 3.26Å; E80-K224 WeakPolarHBondContact OE2-CD 3.28Å; E80-K224 VanDerWaalsContact OE2-CE 3.28Å; E80-K224 WeakPolarHBondContact OE2-CE 3.41Å; E80-K224 IonicContact OE2-NZ 2.75Å; E80-K224 PolarHBondContact OE2-NZ 3.28Å; E80-V225 PolarHBondContact N-O 3.4Å; E80-K226 HydrophobicContact CB-CB 4.32Å; E80-K226 HydrophobicContact CB-CG 4.25Å; E80-K226 HydrophobicContact CG-CG 4.42Å; E80-K226 IonicContact OE1-NZ 2.62Å; E80-K226 PolarHBondContact OE1-NZ 3.08Å; E80-V227 PolarHBondContact O-N 2.89Å
81D98.2Very high96.4Very high54 Ų5455.1 Ų55.129%0.28929%0.286SS..SBendtrans58.730.1-179.7-56.3-41.8000114.7H83 L84 K226 V227D81-H83 PolarHBondContact O-N 3.35Å; D81-H83 IonicContact OD1-CE1 3.27Å; D81-L84 HydrophobicContact CB-CD1 3.88Å; D81-L84 HydrophobicContact CB-CG 4.28Å; D81-L84 WeakPolarHBondContact O-CB 3.46Å; D81-L84 PolarHBondContact O-N 3.47Å; D81-K226 IonicContact OD2-NZ 3.43Å; D81-K226 PolarHBondContact OD2-NZ 2.82Å; D81-V227 WeakPolarHBondContact CB-O 3.06Å; D81-V227 WeakPolarHBondContact O-CB 3.24Å
82G97.5Very high96.3Very high27 Ų2751 Ų5128%0.27827%0.271SS..G310 helixtrans-56.8-20.6-17900000115.4E80 L84 L85E80-G82 PolarHBondContact O-N 2.77Å; G82-L84 PolarHBondContact O-N 2.99Å; G82-L85 WeakPolarHBondContact O-CB 3.16Å; G82-L85 WeakPolarHBondContact O-CD1 3.49Å; G82-L85 VanDerWaalsContact O-CG 3.3Å; G82-L85 WeakPolarHBondContact O-CG 3.46Å; G82-L85 PolarHBondContact O-N 3.45Å
83H97.2Very high96.3Very high150 Ų15045.6 Ų45.669%0.69424%0.244SC*.G310 helixtrans-65.8-14.9174.167-84.9000113.5D81 L85D81-H83 PolarHBondContact O-N 3.35Å; D81-H83 IonicContact OD1-CE1 3.27Å; H83-L85 VanDerWaalsContact C-N 3.32Å
84L97.6Very high96.3Very high57 Ų5745.2 Ų45.230%0.29824%0.242SC..G310 helixtrans-81.8-7.9175.1-61.7179.7000113.4D81 G82 Q200 V227 P229D81-L84 HydrophobicContact CB-CD1 3.88Å; D81-L84 HydrophobicContact CB-CG 4.28Å; D81-L84 WeakPolarHBondContact O-CB 3.46Å; D81-L84 PolarHBondContact O-N 3.47Å; G82-L84 PolarHBondContact O-N 2.99Å; L84-Q200 PolarHBondContact O-OE1 2.95Å; L84-V227 HydrophobicContact CB-CB 4.48Å; L84-V227 HydrophobicContact CB-CG1 3.81Å; L84-P229 HydrophobicContact CD1-CG 4.21Å
85L96.7Very high96.3Very high52 Ų5244.7 Ų44.727%0.27224%0.237SC..  trans-62.5128.6177.7-69.8169.2000110.1G82 H83 Y92 I108 I202 V227G82-L85 WeakPolarHBondContact O-CB 3.16Å; G82-L85 WeakPolarHBondContact O-CD1 3.49Å; G82-L85 VanDerWaalsContact O-CG 3.3Å; G82-L85 WeakPolarHBondContact O-CG 3.46Å; G82-L85 PolarHBondContact O-N 3.45Å; H83-L85 VanDerWaalsContact C-N 3.32Å; L85-Y92 HydrophobicContact CD2-CE1 3.77Å; L85-I108 HydrophobicContact CD1-CB 3.97Å; L85-I108 HydrophobicContact CD1-CG2 3.9Å; L85-I108 HydrophobicContact CD2-CB 4.28Å; L85-I202 HydrophobicContact CD2-CD1 4.21Å; L85-V227 HydrophobicContact CD2-CG1 3.88Å; L85-V227 HydrophobicContact CD2-CG2 3.97Å; L85-V227 HydrophobicContact CG-CG1 4.11Å; L85-V227 HydrophobicContact CG-CG2 4.08Å
86P92.8Very high96.2Very high20 Ų2046 Ų4613%0.1324%0.242CC..  trans-74.8150.5-177.329.2-33.4000111.4E88 C90 Q200P86-E88 HydrophobicContact CB-CG 4.35Å; P86-E88 WeakPolarHBondContact CB-OE2 3.3Å; P86-C90 HydrophobicContact CG-CB 4.06Å; P86-C90 WeakPolarHBondContact CG-SG 3.45Å; P86-Q200 HydrophobicContact CG-CB 4.45Å; P86-Q200 HydrophobicContact CG-CG 4.37Å
87E90.1Very high96Very high200 Ų20043 Ų4394%0.93523%0.227SC*.SBendtrans-82.7-29.3169.3-62.9-170.8163.600111.2
88E91.1Very high95.9Very high76 Ų7642.6 Ų42.636%0.35522%0.224SC..SBendtrans-77.8153.6178.172.3-85.2-160.300113.1P86 C90 P198 K230P86-E88 HydrophobicContact CB-CG 4.35Å; P86-E88 WeakPolarHBondContact CB-OE2 3.3Å; E88-C90 PolarHBondContact O-N 3.31Å; E88-P198 HydrophobicContact CG-CG 4.32Å; E88-K230 IonicContact OE1-NZ 2.76Å; E88-K230 PolarHBondContact OE1-NZ 3.24Å; E88-K230 IonicContact OE2-NZ 3.71Å
89P92.3Very high95.6Very high35 Ų3541.7 Ų41.723%0.22722%0.22CC..  trans-54.6132.6169.9-2736.2000112.5K162 F197P89-K162 HydrophobicContact CG-CB 4.06Å; P89-F197 HydrophobicContact CB-CE1 3.85Å; P89-F197 HydrophobicContact CB-CE2 4.33Å; P89-F197 HydrophobicContact CB-CZ 3.7Å
90C94.8Very high95.6Very high0 Ų039.4 Ų39.40%021%0.206CC..  trans-147.3175.4-178.673.50000111.4P86 E88 Y92 S164 V165 P198P86-C90 HydrophobicContact CG-CB 4.06Å; P86-C90 WeakPolarHBondContact CG-SG 3.45Å; E88-C90 PolarHBondContact O-N 3.31Å; C90-Y92 VanDerWaalsContact SG-CD2 3.58Å; C90-Y92 WeakPolarHBondContact SG-CE2 3.29Å; C90-S164 PolarHBondContact N-OG 2.97Å; C90-S164 CarbonylContact O-C 3.58Å; C90-S164 WeakPolarHBondContact O-CA 3.27Å; C90-S164 VanDerWaalsContact O-CB 3.23Å; C90-S164 WeakPolarHBondContact O-CB 3.41Å; C90-V165 PolarHBondContact O-N 3.36Å; C90-P198 HydrophobicContact CB-CG 3.73Å; C90-P198 WeakPolarHBondContact CB-O 3.3Å
91I95.6Very high95.5Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-102.8109.5171.2-58.9177.7000108.5V93 V165 I167 A186 M189 A190 F197 P198 I199 Q200I91-V93 HydrophobicContact CG2-CG1 4.12Å; I91-V165 CarbonylContact C-O 3.58Å; I91-V165 WeakPolarHBondContact CA-O 3.4Å; I91-I167 HydrophobicContact CG2-CD1 3.73Å; I91-I167 HydrophobicContact CG2-CG1 4.15Å; I91-A186 HydrophobicContact CG2-CB 4.48Å; I91-M189 HydrophobicContact CD1-CB 3.87Å; I91-M189 HydrophobicContact CD1-CG 3.56Å; I91-M189 HydrophobicContact CD1-SD 3.85Å; I91-M189 HydrophobicContact CG1-SD 4.36Å; I91-A190 VanDerWaalsContact CD1-CA 3.44Å; I91-A190 HydrophobicContact CD1-CB 3.73Å; I91-A190 VanDerWaalsContact CD1-N 3.33Å; I91-F197 HydrophobicContact CD1-CB 4.39Å; I91-F197 HydrophobicContact CG1-CB 4.1Å; I91-F197 HydrophobicContact CG1-CD2 4.04Å; I91-P198 PolarHBondContact N-O 3.2Å; I91-I199 HydrophobicContact CB-CD1 3.92Å; I91-I199 HydrophobicContact CD1-CD1 4.42Å; I91-I199 HydrophobicContact CG2-CD1 4.19Å; I91-I199 WeakPolarHBondContact O-CA 3.4Å; I91-Q200 PolarHBondContact O-N 2.93Å
92Y97.6Very high95.4Very high7 Ų736.5 Ų36.53%0.02719%0.194CC..EExtended strand (participates in β ladder)trans-76.5128.2171.1-67.1-93.8000109.1L85 C90 P110 V165 F166 I167 Q200 I202L85-Y92 HydrophobicContact CD2-CE1 3.77Å; C90-Y92 VanDerWaalsContact SG-CD2 3.58Å; C90-Y92 WeakPolarHBondContact SG-CE2 3.29Å; Y92-P110 HydrophobicContact CD2-CG 3.83Å; Y92-P110 HydrophobicContact CE1-CG 4.31Å; Y92-P110 HydrophobicContact CE2-CB 4.27Å; Y92-P110 HydrophobicContact CE2-CG 3.14Å; Y92-P110 VanDerWaalsContact CZ-CG 3.44Å; Y92-V165 PolarHBondContact N-O 2.94Å; Y92-F166 VanDerWaalsContact CB-CD2 3.47Å; Y92-F166 HydrophobicContact CD1-CE2 4.37Å; Y92-F166 HydrophobicContact CD2-CD2 4.44Å; Y92-F166 AromaticContact CG-CD2 3.95Å; Y92-F166 HydrophobicContact CG-CD2 3.95Å; Y92-F166 HydrophobicContact CG-CE2 4.12Å; Y92-I167 PolarHBondContact O-N 3.05Å; Y92-Q200 WeakPolarHBondContact CA-O 3.16Å; Y92-Q200 HydrophobicContact CD1-CB 3.88Å; Y92-Q200 HydrophobicContact CD1-CG 3.58Å; Y92-Q200 HydrophobicContact CE1-CB 4.01Å; Y92-Q200 HydrophobicContact CE1-CG 3.46Å; Y92-Q200 VanDerWaalsContact CE1-CG 3.46Å; Y92-Q200 HydrophobicContact CG-CB 4.35Å; Y92-I202 HydrophobicContact CD1-CD1 4.34Å; Y92-I202 HydrophobicContact CD1-CG1 4.09Å
93V97.7Very high95.3Very high0 Ų035.4 Ų35.40%018%0.182CC..EExtended strand (participates in β ladder)trans-119.8131.6172.6-63.40000109.7I91 I167 P169 A186 I199 Q200 P201 I202 T248 M252I91-V93 HydrophobicContact CG2-CG1 4.12Å; V93-I167 VanDerWaalsContact CA-O 3.31Å; V93-I167 WeakPolarHBondContact CA-O 3.45Å; V93-P169 HydrophobicContact CB-CG 4.15Å; V93-A186 HydrophobicContact CG1-CB 4.08Å; V93-I199 HydrophobicContact CG1-CG2 4.22Å; V93-I199 HydrophobicContact CG2-CG2 3.52Å; V93-Q200 PolarHBondContact N-O 3.42Å; V93-P201 HydrophobicContact CG2-CB 4.1Å; V93-I202 PolarHBondContact O-N 3.05Å; V93-T248 HydrophobicContact CG2-CG2 3.72Å; V93-M252 HydrophobicContact CG2-SD 3.93Å
94S97.7Very high95.3Very high0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-140.7151.4178.5-161.10000112.7I167 F168 P169 I202S94-I167 PolarHBondContact N-O 3.18Å; S94-I167 VanDerWaalsContact N-O 3.15Å; S94-F168 VanDerWaalsContact O-CD1 3.32Å; S94-F168 WeakPolarHBondContact O-CD1 3.47Å; S94-P169 VanDerWaalsContact O-CD 3.24Å; S94-P169 WeakPolarHBondContact O-CD 3.27Å; S94-I202 WeakPolarHBondContact CA-O 3.32Å; S94-I202 WeakPolarHBondContact CB-O 3.41Å; S94-I202 PolarHBondContact OG-O 3.45Å
95N97Very high95.2Very high1 Ų125.5 Ų25.51%0.00513%0.134CC..  trans-63.9151.5174.257.8-59.1000111.2Q97 E170 L179 V203 I204 M252 F256N95-Q97 PolarHBondContact ND2-NE2 3.37Å; N95-Q97 VanDerWaalsContact ND2-NE2 3.1Å; N95-E170 WeakPolarHBondContact CA-OE1 3.47Å; N95-E170 WeakPolarHBondContact CB-OE1 3.3Å; N95-L179 HydrophobicContact CB-CD1 4.28Å; N95-L179 HydrophobicContact CB-CD2 4.33Å; N95-L179 HydrophobicContact CB-CG 4.07Å; N95-V203 WeakPolarHBondContact OD1-CA 3.41Å; N95-I204 PolarHBondContact ND2-O 2.83Å; N95-I204 PolarHBondContact OD1-N 3.16Å; N95-M252 HydrophobicContact CB-CE 4.48Å; N95-F256 WeakPolarHBondContact ND2-CE2 3.34Å
96H95.6Very high95.2Very high27 Ų2723 Ų2313%0.12512%0.121CC..  trans-122.798.9-173.7-159.625.5000111.7D101 F168 E170 R173 F174H96-D101 WeakPolarHBondContact CA-OD2 3.13Å; H96-D101 IonicContact CE1-OD2 3.71Å; H96-D101 IonicContact CG-OD2 3.36Å; H96-D101 IonicContact ND1-OD2 2.62Å; H96-D101 PolarHBondContact ND1-OD2 3.4Å; H96-F168 HydrophobicContact CB-CB 3.87Å; H96-F168 HydrophobicContact CB-CD1 3.72Å; H96-F168 HydrophobicContact CB-CG 4Å; H96-F168 AromaticContact CG-CD1 3.81Å; H96-F168 AromaticContact CG-CG 3.82Å; H96-F168 AromaticContact ND1-CD1 3.76Å; H96-F168 AromaticContact ND1-CE1 3.99Å; H96-F168 AromaticContact ND1-CG 3.96Å; H96-E170 PolarHBondContact N-OE1 3.44Å; H96-R173 VanDerWaalsContact CD2-CG 3.42Å; H96-R173 WeakPolarHBondContact CD2-CG 3.06Å; H96-R173 PolarHBondContact CE1-NE 2.72Å; H96-R173 WeakPolarHBondContact NE2-CG 3.49Å; H96-R173 PolarHBondContact NE2-NE 3.18Å; H96-R173 CarbonylContact O-C 3.59Å; H96-R173 VanDerWaalsContact O-CA 3.28Å; H96-R173 WeakPolarHBondContact O-CA 3.5Å; H96-F174 PolarHBondContact O-N 3.35Å
97Q94.8Very high95.3Very high10 Ų1024.7 Ų24.75%0.04713%0.129CC..  trans-101-41.2-174.1-60.3-177.472.700111.9N95 D101 F174 I204 E205 P206 Y207N95-Q97 PolarHBondContact ND2-NE2 3.37Å; N95-Q97 VanDerWaalsContact ND2-NE2 3.1Å; Q97-D101 PolarHBondContact N-OD2 2.81Å; Q97-F174 WeakPolarHBondContact CA-O 3.3Å; Q97-I204 PolarHBondContact NE2-O 3.24Å; Q97-E205 PolarHBondContact NE2-O 3.46Å; Q97-P206 VanDerWaalsContact OE1-CA 3.28Å; Q97-Y207 HydrophobicContact CB-CD2 3.7Å; Q97-Y207 HydrophobicContact CB-CE2 3.87Å; Q97-Y207 HydrophobicContact CB-CG 4.47Å
98S94.5Very high95.7Very high5 Ų515.6 Ų15.64%0.0359%0.087CC..  trans-158174.3-171.7-170.60000112.6I100 D101 H213S98-I100 PolarHBondContact O-N 2.8Å; S98-D101 PolarHBondContact N-OD2 3.1Å; S98-D101 WeakPolarHBondContact O-CB 3.48Å; S98-D101 PolarHBondContact O-N 3.38Å; S98-H213 PolarHBondContact OG-NE2 3.36Å
99C93.4Very high96Very high54 Ų5412.6 Ų12.637%0.3657%0.072SC..THydrogen-bonded Turntrans-61.6-23.717164.20000113D101C99-D101 VanDerWaalsContact C-N 3.25Å; C99-D101 PolarHBondContact O-N 2.91Å
100I96.4Very high96.1Very high0 Ų011.9 Ų11.90%07%0.067CC..THydrogen-bonded Turntrans-76.4-7.6179.866.8165.6000113.6F31 L34 L75 S98 V102 T103 G104 Y207 F210 L211 F218F31-I100 HydrophobicContact CE1-CG2 4.28Å; L34-I100 HydrophobicContact CD2-CG2 3.78Å; L75-I100 HydrophobicContact CD1-CB 4.01Å; L75-I100 HydrophobicContact CD1-CD1 3.85Å; L75-I100 HydrophobicContact CD1-CG1 4.48Å; L75-I100 HydrophobicContact CD1-CG2 4.33Å; L75-I100 HydrophobicContact CD2-CD1 4.13Å; S98-I100 PolarHBondContact O-N 2.8Å; I100-V102 PolarHBondContact O-N 3.46Å; I100-T103 WeakPolarHBondContact O-CA 3.45Å; I100-T103 WeakPolarHBondContact O-CB 3.34Å; I100-T103 PolarHBondContact O-N 2.89Å; I100-T103 PolarHBondContact O-OG1 3.45Å; I100-G104 PolarHBondContact O-N 2.81Å; I100-Y207 HydrophobicContact CD1-CD2 3.83Å; I100-Y207 HydrophobicContact CD1-CE1 4.47Å; I100-Y207 HydrophobicContact CD1-CE2 3.67Å; I100-Y207 HydrophobicContact CD1-CG 4.33Å; I100-Y207 HydrophobicContact CG1-CD2 3.93Å; I100-Y207 HydrophobicContact CG1-CE2 3.4Å; I100-F210 HydrophobicContact CD1-CE2 4.07Å; I100-L211 HydrophobicContact CD1-CD2 3.8Å; I100-L211 HydrophobicContact CG1-CD2 4.32Å; I100-F218 HydrophobicContact CD1-CZ 4.27Å
101D96.6Very high96.2Very high1 Ų118.3 Ų18.31%0.00510%0.096CC..Hα-helixtrans-53.6-39.9179-67.1-24.5000112.8H96 Q97 S98 C99 T103 G104 V105 F168 I204 Y207H96-D101 WeakPolarHBondContact CA-OD2 3.13Å; H96-D101 IonicContact CE1-OD2 3.71Å; H96-D101 IonicContact CG-OD2 3.36Å; H96-D101 IonicContact ND1-OD2 2.62Å; H96-D101 PolarHBondContact ND1-OD2 3.4Å; Q97-D101 PolarHBondContact N-OD2 2.81Å; S98-D101 PolarHBondContact N-OD2 3.1Å; S98-D101 WeakPolarHBondContact O-CB 3.48Å; S98-D101 PolarHBondContact O-N 3.38Å; C99-D101 VanDerWaalsContact C-N 3.25Å; C99-D101 PolarHBondContact O-N 2.91Å; D101-T103 PolarHBondContact O-N 3.42Å; D101-G104 PolarHBondContact O-N 3.21Å; D101-V105 PolarHBondContact O-N 3.35Å; D101-V105 VanDerWaalsContact O-N 3.1Å; D101-F168 HydrophobicContact CB-CE1 4.18Å; D101-F168 HydrophobicContact CB-CZ 4.27Å; D101-I204 HydrophobicContact CB-CD1 4.26Å; D101-Y207 WeakPolarHBondContact CA-OH 3.26Å; D101-Y207 WeakPolarHBondContact OD1-CE2 3.43Å; D101-Y207 VanDerWaalsContact OD1-CZ 3.24Å; D101-Y207 PolarHBondContact OD1-OH 3.43Å
102V95.6Very high96.3Very high44 Ų4422.7 Ų22.727%0.26711%0.112SC..Hα-helixtrans-61.9-28.5178.470.90000112.5V63 L66 I100V63-V102 HydrophobicContact CG2-CG2 4.2Å; L66-V102 HydrophobicContact CB-CG1 4.5Å; L66-V102 HydrophobicContact CD1-CB 4.42Å; L66-V102 HydrophobicContact CD1-CG1 3.87Å; L66-V102 HydrophobicContact CD1-CG2 3.64Å; I100-V102 PolarHBondContact O-N 3.46Å
103T97.2Very high96.2Very high4 Ų422.3 Ų22.33%0.02511%0.111CC..Hα-helixtrans-76.2-31.5176.476.10000111.5L34 L66 L75 I100 D101L34-T103 HydrophobicContact CD1-CG2 4.47Å; L66-T103 WeakPolarHBondContact O-CG2 3.33Å; L75-T103 WeakPolarHBondContact CD1-OG1 3.49Å; I100-T103 WeakPolarHBondContact O-CA 3.45Å; I100-T103 WeakPolarHBondContact O-CB 3.34Å; I100-T103 PolarHBondContact O-N 2.89Å; I100-T103 PolarHBondContact O-OG1 3.45Å; D101-T103 PolarHBondContact O-N 3.42Å
104G95.7Very high96.1Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-75.7-37.7179.700000113.6I100 D101 G106 Y223I100-G104 PolarHBondContact O-N 2.81Å; D101-G104 PolarHBondContact O-N 3.21Å; G104-G106 PolarHBondContact O-N 2.91Å; G104-Y223 WeakPolarHBondContact CA-OH 3.16Å
105V96.8Very high96.1Very high0 Ų023.7 Ų23.70%012%0.119CC..THydrogen-bonded Turntrans-81.7-1-180-58.60000113.7D101 D107 I108 W109 F166 I204D101-V105 PolarHBondContact O-N 3.35Å; D101-V105 VanDerWaalsContact O-N 3.1Å; V105-D107 PolarHBondContact O-N 3.36Å; V105-I108 HydrophobicContact CB-CD1 4.4Å; V105-I108 HydrophobicContact CB-CG1 4.2Å; V105-I108 WeakPolarHBondContact O-CG1 3.38Å; V105-I108 PolarHBondContact O-N 2.98Å; V105-W109 HydrophobicContact CG2-CE3 3.78Å; V105-W109 HydrophobicContact CG2-CZ3 3.98Å; V105-W109 PolarHBondContact O-N 3.25Å; V105-F166 HydrophobicContact CB-CE2 4.34Å; V105-F166 HydrophobicContact CB-CZ 4.04Å; V105-F166 HydrophobicContact CG1-CE1 4.47Å; V105-F166 HydrophobicContact CG1-CZ 3.8Å; V105-F166 HydrophobicContact CG2-CZ 4.28Å; V105-I204 HydrophobicContact CG1-CD1 3.73Å; V105-I204 HydrophobicContact CG1-CG1 4.37Å
106G96.6Very high95.9Very high0 Ų024.4 Ų24.40%012%0.124CC..THydrogen-bonded Turntrans-66.8-23.9-171.300000114.6K64 G104K64-G106 WeakPolarHBondContact CD-O 3.46Å; K64-G106 VanDerWaalsContact CE-O 3.32Å; K64-G106 WeakPolarHBondContact CE-O 3.13Å; K64-G106 PolarHBondContact NZ-O 3.36Å; G104-G106 PolarHBondContact O-N 2.91Å
107D95.2Very high95.8Very high55 Ų5523.7 Ų23.729%0.29412%0.121SC..THydrogen-bonded Turntrans-75.3-32.3177.7-69-16000112.6K64 R71 V79 V105K64-D107 PolarHBondContact NZ-O 3.3Å; R71-D107 IonicContact CZ-OD1 3.95Å; R71-D107 IonicContact CZ-OD2 3.74Å; R71-D107 IonicContact NH1-OD1 2.65Å; R71-D107 IonicContact NH2-OD1 2.67Å; R71-D107 PolarHBondContact NH2-OD1 3.33Å; R71-D107 IonicContact NH2-OD2 3.8Å; R71-D107 PolarHBondContact NH2-OD2 3.27Å; V79-D107 HydrophobicContact CG2-CB 3.89Å; V105-D107 PolarHBondContact O-N 3.36Å
108I97.2Very high95.7Very high9 Ų928.9 Ų28.95%0.04614%0.144CC..THydrogen-bonded Turntrans-96.9-1.3178.663.3165.4000113.7V79 L85 V105 P110 I202 V225V79-I108 HydrophobicContact CB-CG2 4.16Å; V79-I108 HydrophobicContact CG1-CG2 3.5Å; V79-I108 VanDerWaalsContact CG1-CG2 3.5Å; V79-I108 HydrophobicContact CG2-CG2 3.49Å; V79-I108 VanDerWaalsContact CG2-CG2 3.49Å; L85-I108 HydrophobicContact CD1-CB 3.97Å; L85-I108 HydrophobicContact CD1-CG2 3.9Å; L85-I108 HydrophobicContact CD2-CB 4.28Å; V105-I108 HydrophobicContact CB-CD1 4.4Å; V105-I108 HydrophobicContact CB-CG1 4.2Å; V105-I108 WeakPolarHBondContact O-CG1 3.38Å; V105-I108 PolarHBondContact O-N 2.98Å; I108-P110 WeakPolarHBondContact O-CD 3.32Å; I108-I202 HydrophobicContact CD1-CB 4.33Å; I108-I202 HydrophobicContact CD1-CD1 3.74Å; I108-I202 HydrophobicContact CD1-CG1 3.85Å; I108-I202 HydrophobicContact CD1-CG2 3.58Å; I108-V225 HydrophobicContact CD1-CG1 3.85Å
109W97.5Very high95.5Very high12 Ų1229.4 Ų29.45%0.04515%0.148CC..  trans-62123.5-175.4-166.5-86.4000111.1A59 W60 V63 V105 C113 V115 F166A59-W109 HydrophobicContact CB-CZ2 4.26Å; W60-W109 VanDerWaalsContact CD1-O 3.23Å; V63-W109 HydrophobicContact CB-CD2 4.16Å; V63-W109 HydrophobicContact CB-CG 4.1Å; V63-W109 HydrophobicContact CG1-CB 3.78Å; V63-W109 HydrophobicContact CG1-CD2 3.81Å; V63-W109 HydrophobicContact CG1-CE3 3.96Å; V63-W109 HydrophobicContact CG1-CG 3.74Å; V63-W109 HydrophobicContact CG2-CD2 3.93Å; V63-W109 HydrophobicContact CG2-CE3 4.23Å; V63-W109 HydrophobicContact CG2-CG 4.36Å; V63-W109 HydrophobicContact CG2-CH2 4.42Å; V63-W109 HydrophobicContact CG2-CZ2 4.16Å; V63-W109 HydrophobicContact CG2-CZ3 4.47Å; V105-W109 HydrophobicContact CG2-CE3 3.78Å; V105-W109 HydrophobicContact CG2-CZ3 3.98Å; V105-W109 PolarHBondContact O-N 3.25Å; W109-C113 HydrophobicContact CZ2-CB 4.5Å; W109-V115 HydrophobicContact CH2-CB 3.79Å; W109-V115 HydrophobicContact CH2-CG1 4.45Å; W109-V115 HydrophobicContact CH2-CG2 3.93Å; W109-V115 HydrophobicContact CZ2-CB 4.11Å; W109-F166 AromaticContact CE3-CD2 3.88Å; W109-F166 HydrophobicContact CE3-CD2 3.88Å; W109-F166 HydrophobicContact CE3-CE2 4.21Å; W109-F166 HydrophobicContact CE3-CG 4.34Å; W109-F166 HydrophobicContact CH2-CB 3.75Å; W109-F166 HydrophobicContact CH2-CD2 4.28Å; W109-F166 AromaticContact CH2-CG 3.97Å; W109-F166 HydrophobicContact CH2-CG 3.97Å; W109-F166 HydrophobicContact CZ2-CB 4.37Å; W109-F166 HydrophobicContact CZ3-CB 3.99Å; W109-F166 HydrophobicContact CZ3-CD1 4.16Å; W109-F166 AromaticContact CZ3-CD2 3.68Å; W109-F166 HydrophobicContact CZ3-CD2 3.68Å; W109-F166 HydrophobicContact CZ3-CE2 4.21Å; W109-F166 AromaticContact CZ3-CG 3.66Å; W109-F166 HydrophobicContact CZ3-CG 3.66Å
110P95.6Very high95.5Very high20 Ų2029.4 Ų29.413%0.1315%0.149CC..  trans-68.1144.6-178.5-13.525.4000111.4Y92 I108 R112 C113Y92-P110 HydrophobicContact CD2-CG 3.83Å; Y92-P110 HydrophobicContact CE1-CG 4.31Å; Y92-P110 HydrophobicContact CE2-CB 4.27Å; Y92-P110 HydrophobicContact CE2-CG 3.14Å; Y92-P110 VanDerWaalsContact CZ-CG 3.44Å; I108-P110 WeakPolarHBondContact O-CD 3.32Å; P110-R112 VanDerWaalsContact C-N 3.25Å; P110-R112 PolarHBondContact O-N 2.62Å; P110-C113 HydrophobicContact CB-CB 4.05Å; P110-C113 HydrophobicContact CG-CB 4.12Å; P110-C113 WeakPolarHBondContact O-CB 3.49Å
111K96.4Very high95.3Very high136 Ų13631.7 Ų31.759%0.59116%0.161SC*.SBendtrans-58.8-37.3-178.7-170.6175.1-178.8178.80112.7E57 W60E57-K111 VanDerWaalsContact CA-O 3.3Å; E57-K111 WeakPolarHBondContact CA-O 3.09Å; E57-K111 HydrophobicContact CG-CG 4.35Å; W60-K111 HydrophobicContact CD2-CG 4.36Å; W60-K111 HydrophobicContact CG-CB 4.44Å; W60-K111 HydrophobicContact CG-CG 4.41Å
112R96.6Very high95.1Very high91 Ų9137 Ų3734%0.34318%0.184SC..SBendtrans-115.486.9179.5-77.6-173.767.896.1-5.2109.5E57 P110 N161 V163 S164E57-R112 HydrophobicContact CG-CG 3.99Å; E57-R112 WeakPolarHBondContact OE1-CG 3.4Å; E57-R112 IonicContact OE1-CZ 3.88Å; E57-R112 IonicContact OE1-NE 3.66Å; E57-R112 IonicContact OE1-NH1 2.88Å; E57-R112 PolarHBondContact OE1-NH1 2.65Å; E57-R112 IonicContact OE2-NH1 2.89Å; P110-R112 VanDerWaalsContact C-N 3.25Å; P110-R112 PolarHBondContact O-N 2.62Å; R112-N161 PolarHBondContact NH2-O 3.05Å; R112-V163 HydrophobicContact CB-CG1 4.06Å; R112-V163 WeakPolarHBondContact O-CA 3.39Å; R112-S164 PolarHBondContact O-N 3.31Å
113C96.5Very high95Very high0 Ų042.4 Ų42.40%020%0.204CC..EExtended strand (participates in β ladder)trans-141.2134.3-173.7-166.20000111.2W109 P110 S164W109-C113 HydrophobicContact CZ2-CB 4.5Å; P110-C113 HydrophobicContact CB-CB 4.05Å; P110-C113 HydrophobicContact CG-CB 4.12Å; P110-C113 WeakPolarHBondContact O-CB 3.49Å; C113-S164 WeakPolarHBondContact CA-O 3.49Å
114S95.9Very high94.8Very high3 Ų347 Ų472%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-96.9163.8161.9-173.10000110.1K135 S164 V165 F166S114-K135 PolarHBondContact OG-O 2.9Å; S114-S164 PolarHBondContact N-O 2.82Å; S114-V165 CarbonylContact O-C 3.58Å; S114-V165 WeakPolarHBondContact O-CA 3.2Å; S114-F166 PolarHBondContact O-N 2.89Å
115V95.9Very high94.7Very high25 Ų2549.3 Ų49.315%0.15225%0.25CS..EExtended strand (participates in β ladder)trans-129.7142178.460.80000110.1W109 T136 I137 F166W109-V115 HydrophobicContact CH2-CB 3.79Å; W109-V115 HydrophobicContact CH2-CG1 4.45Å; W109-V115 HydrophobicContact CH2-CG2 3.93Å; W109-V115 HydrophobicContact CZ2-CB 4.11Å; V115-T136 HydrophobicContact CG1-CG2 3.93Å; V115-T136 WeakPolarHBondContact O-CG2 3.32Å; V115-I137 PolarHBondContact O-N 3.17Å; V115-F166 WeakPolarHBondContact CA-O 3.32Å; V115-F166 HydrophobicContact CB-CB 4.39Å; V115-F166 HydrophobicContact CG2-CB 4.26Å
116V94.3Very high94.8Very high17 Ų1753.9 Ų53.910%0.10327%0.27CS..EExtended strand (participates in β ladder)trans-84.2128.6171.5173.70000109.6I137 I139 M151 V165 F166 I167V116-I137 WeakPolarHBondContact CA-O 3.46Å; V116-I137 HydrophobicContact CG2-CB 4.12Å; V116-I137 HydrophobicContact CG2-CD1 4.01Å; V116-I137 HydrophobicContact CG2-CG2 4.25Å; V116-I139 HydrophobicContact CG1-CD1 3.39Å; V116-I139 HydrophobicContact CG1-CG1 4.03Å; V116-M151 HydrophobicContact CG1-SD 4.37Å; V116-M151 HydrophobicContact CG2-CE 4.2Å; V116-M151 HydrophobicContact CG2-SD 3.71Å; V116-V165 HydrophobicContact CG2-CG1 4.01Å; V116-F166 PolarHBondContact N-O 2.95Å; V116-I167 HydrophobicContact CB-CG1 4.14Å; V116-I167 HydrophobicContact CB-CG2 4.35Å; V116-I167 HydrophobicContact CG2-CD1 3.94Å; V116-I167 HydrophobicContact CG2-CG1 3.71Å
117S93.1Very high94.7Very high11 Ų1155.6 Ų55.68%0.07728%0.279CS..EExtended strand (participates in β ladder)trans-139.7160.5-173.874.60000112.3A119 M131 T136 I137 I139S117-A119 PolarHBondContact O-N 3.45Å; S117-M131 VanDerWaalsContact CB-CE 3.41Å; S117-M131 WeakPolarHBondContact OG-CE 3.38Å; S117-T136 WeakPolarHBondContact OG-CG2 3.42Å; S117-I137 PolarHBondContact N-O 3.34Å; S117-I137 PolarHBondContact OG-O 3.36Å; S117-I139 PolarHBondContact O-N 3.21Å
118K92Very high94.8Very high120 Ų12053.1 Ų53.152%0.52227%0.267SS..EExtended strand (participates in β ladder)trans-67.3130.7174.1-175.4179.2179179.70109.8S120 L121K118-S120 VanDerWaalsContact CD-OG 3.31Å; K118-S120 WeakPolarHBondContact CD-OG 3.22Å; K118-S120 VanDerWaalsContact CE-OG 3.3Å; K118-S120 WeakPolarHBondContact CE-OG 3.23Å; K118-S120 WeakPolarHBondContact CG-OG 3.24Å; K118-S120 PolarHBondContact O-N 2.82Å; K118-S120 VanDerWaalsContact O-N 3.1Å; K118-L121 HydrophobicContact CB-CD1 4.27Å; K118-L121 HydrophobicContact CB-CG 4.21Å; K118-L121 WeakPolarHBondContact O-CB 3.42Å; K118-L121 WeakPolarHBondContact O-CG 3.28Å; K118-L121 PolarHBondContact O-N 2.9Å
119A91.9Very high94.9Very high15 Ų1556.3 Ų56.312%0.12428%0.283CS..G310 helixtrans-55.4-31.9-177.200000114.2S117 L121 K122 I139 D140S117-A119 PolarHBondContact O-N 3.45Å; A119-L121 PolarHBondContact O-N 2.72Å; A119-K122 WeakPolarHBondContact O-CD 3.38Å; A119-K122 WeakPolarHBondContact O-CG 3.5Å; A119-K122 PolarHBondContact O-N 3.15Å; A119-I139 WeakPolarHBondContact CB-O 3.31Å; A119-I139 PolarHBondContact N-O 3.03Å; A119-D140 HydrophobicContact CB-CB 4.16Å
120S92.8Very high94.9Very high54 Ų5455.9 Ų55.938%0.37828%0.282SS..G310 helixtrans-63.6-21.2177.866.60000114K118 K122 F123K118-S120 VanDerWaalsContact CD-OG 3.31Å; K118-S120 WeakPolarHBondContact CD-OG 3.22Å; K118-S120 VanDerWaalsContact CE-OG 3.3Å; K118-S120 WeakPolarHBondContact CE-OG 3.23Å; K118-S120 WeakPolarHBondContact CG-OG 3.24Å; K118-S120 PolarHBondContact O-N 2.82Å; K118-S120 VanDerWaalsContact O-N 3.1Å; S120-K122 PolarHBondContact O-N 2.8Å; S120-F123 PolarHBondContact O-N 3.47Å
121L92.4Very high95Very high48 Ų4856 Ų5625%0.25128%0.281SS..G310 helixtrans-67.4-19.3179.8-61.2175.1000112.5K118 A119 F123 M124 M131K118-L121 HydrophobicContact CB-CD1 4.27Å; K118-L121 HydrophobicContact CB-CG 4.21Å; K118-L121 WeakPolarHBondContact O-CB 3.42Å; K118-L121 WeakPolarHBondContact O-CG 3.28Å; K118-L121 PolarHBondContact O-N 2.9Å; A119-L121 PolarHBondContact O-N 2.72Å; L121-F123 PolarHBondContact O-N 3.14Å; L121-F123 VanDerWaalsContact O-N 3.09Å; L121-M124 HydrophobicContact CB-SD 4.33Å; L121-M124 HydrophobicContact CD2-CG 4.37Å; L121-M124 HydrophobicContact CD2-SD 3.24Å; L121-M124 WeakPolarHBondContact CD2-SD 3.27Å; L121-M124 HydrophobicContact CG-SD 4.35Å; L121-M124 WeakPolarHBondContact O-CB 3.12Å; L121-M124 PolarHBondContact O-N 2.95Å; L121-M124 VanDerWaalsContact O-N 3.08Å; L121-M131 HydrophobicContact CB-CE 3.64Å; L121-M131 HydrophobicContact CB-SD 3.76Å; L121-M131 HydrophobicContact CD1-CE 3.9Å; L121-M131 HydrophobicContact CG-CE 4.43Å
122K91.6Very high95Very high114 Ų11456.5 Ų56.550%0.49628%0.279SS..G310 helixtrans-59.9-19.4173.679.7-167.6178.5178.10113.1A119 S120A119-K122 WeakPolarHBondContact O-CD 3.38Å; A119-K122 WeakPolarHBondContact O-CG 3.5Å; A119-K122 PolarHBondContact O-N 3.15Å; S120-K122 PolarHBondContact O-N 2.8Å
123F93Very high95.1Very high157 Ų15752.5 Ų52.569%0.68926%0.264SS*.G310 helixtrans-96.16179.9-56.1-64.1000113.9S120 L121 G125S120-F123 PolarHBondContact O-N 3.47Å; L121-F123 PolarHBondContact O-N 3.14Å; L121-F123 VanDerWaalsContact O-N 3.09Å; F123-G125 PolarHBondContact O-N 3.05Å
124M93.1Very high95.1Very high101 Ų10152.7 Ų52.750%0.49827%0.265SS..SBendtrans-80.443.4179.1-68.3-174.86800113.5L121 F126 L127L121-M124 HydrophobicContact CB-SD 4.33Å; L121-M124 HydrophobicContact CD2-CG 4.37Å; L121-M124 HydrophobicContact CD2-SD 3.24Å; L121-M124 WeakPolarHBondContact CD2-SD 3.27Å; L121-M124 HydrophobicContact CG-SD 4.35Å; L121-M124 WeakPolarHBondContact O-CB 3.12Å; L121-M124 PolarHBondContact O-N 2.95Å; L121-M124 VanDerWaalsContact O-N 3.08Å; M124-F126 PolarHBondContact O-N 3.43Å; M124-L127 HydrophobicContact CB-CB 4.2Å; M124-L127 HydrophobicContact CB-CD2 4.47Å; M124-L127 HydrophobicContact CE-CD2 3.91Å; M124-L127 PolarHBondContact O-N 2.68Å; M124-L127 HydrophobicContact SD-CD2 4.14Å
125G94.8Very high95.1Very high48 Ų4855.7 Ų55.750%0.49528%0.278SS..THydrogen-bonded Turntrans54.5-126.4179.100000113F123 L127 G128 I129F123-G125 PolarHBondContact O-N 3.05Å; G125-L127 VanDerWaalsContact C-N 3.27Å; G125-L127 PolarHBondContact O-N 3.36Å; G125-G128 WeakPolarHBondContact O-CA 3.39Å; G125-G128 PolarHBondContact O-N 3.42Å; G125-I129 PolarHBondContact O-N 2.62Å; G125-I129 VanDerWaalsContact O-N 3.14Å
126F97.4Very high95.2Very high95 Ų9555.4 Ų55.442%0.41728%0.276SS..Hα-helixtrans-59.5-33.4-178.6-61.4-62000113.8F43 S46 M124 G128 I129 I130F43-F126 HydrophobicContact CB-CD2 4.22Å; F43-F126 HydrophobicContact CB-CE2 4.43Å; F43-F126 HydrophobicContact CD2-CD1 4.42Å; F43-F126 HydrophobicContact CD2-CD2 4.23Å; F43-F126 AromaticContact CD2-CE1 3.92Å; F43-F126 HydrophobicContact CD2-CE1 3.92Å; F43-F126 AromaticContact CD2-CE2 3.71Å; F43-F126 HydrophobicContact CD2-CE2 3.71Å; F43-F126 AromaticContact CD2-CZ 3.55Å; F43-F126 HydrophobicContact CD2-CZ 3.55Å; F43-F126 HydrophobicContact CE2-CE1 4.43Å; F43-F126 HydrophobicContact CE2-CZ 4.05Å; S46-F126 VanDerWaalsContact OG-CD1 3.27Å; S46-F126 WeakPolarHBondContact OG-CD1 3.47Å; M124-F126 PolarHBondContact O-N 3.43Å; F126-G128 VanDerWaalsContact C-N 3.33Å; F126-I129 HydrophobicContact CD1-CD1 4.24Å; F126-I129 WeakPolarHBondContact O-CB 3.42Å; F126-I129 PolarHBondContact O-N 2.84Å; F126-I130 WeakPolarHBondContact O-CG1 3.43Å; F126-I130 PolarHBondContact O-N 3.16Å
127L96.5Very high95.2Very high37 Ų3755.6 Ų55.619%0.19428%0.277CS..Hα-helixtrans-65-40.6175.3-178.961.1000110.8F62 M124 G125 I129 I130 M131F62-L127 HydrophobicContact CE1-CD1 3.51Å; F62-L127 HydrophobicContact CZ-CD1 4.01Å; M124-L127 HydrophobicContact CB-CB 4.2Å; M124-L127 HydrophobicContact CB-CD2 4.47Å; M124-L127 HydrophobicContact CE-CD2 3.91Å; M124-L127 PolarHBondContact O-N 2.68Å; M124-L127 HydrophobicContact SD-CD2 4.14Å; G125-L127 VanDerWaalsContact C-N 3.27Å; G125-L127 PolarHBondContact O-N 3.36Å; L127-I129 VanDerWaalsContact C-N 3.32Å; L127-I129 PolarHBondContact O-N 2.83Å; L127-I130 PolarHBondContact O-N 3.42Å; L127-M131 HydrophobicContact CG-SD 4.26Å; L127-M131 VanDerWaalsContact O-CG 3.27Å; L127-M131 WeakPolarHBondContact O-CG 3.22Å; L127-M131 PolarHBondContact O-N 3.42Å
128G97.1Very high95.1Very high3 Ų357.6 Ų57.63%0.03129%0.291CS..Hα-helixtrans-60.5-41.2174.500000112.4G125 F126 M131 W132G125-G128 WeakPolarHBondContact O-CA 3.39Å; G125-G128 PolarHBondContact O-N 3.42Å; F126-G128 VanDerWaalsContact C-N 3.33Å; G128-M131 PolarHBondContact O-N 3.17Å; G128-W132 PolarHBondContact O-N 2.72Å
129I97.7Very high95Very high76 Ų7652.4 Ų52.439%0.3927%0.269SS..Hα-helixtrans-60.7-46.6174.5-66.2170.9000110.7G125 F126 L127 M131 W132 L133G125-I129 PolarHBondContact O-N 2.62Å; G125-I129 VanDerWaalsContact O-N 3.14Å; F126-I129 HydrophobicContact CD1-CD1 4.24Å; F126-I129 WeakPolarHBondContact O-CB 3.42Å; F126-I129 PolarHBondContact O-N 2.84Å; L127-I129 VanDerWaalsContact C-N 3.32Å; L127-I129 PolarHBondContact O-N 2.83Å; I129-M131 VanDerWaalsContact C-N 3.34Å; I129-M131 PolarHBondContact O-N 3.25Å; I129-W132 PolarHBondContact O-N 2.72Å; I129-L133 HydrophobicContact CG2-CD1 3.67Å; I129-L133 HydrophobicContact CG2-CG 4.27Å; I129-L133 WeakPolarHBondContact O-CB 3.32Å; I129-L133 VanDerWaalsContact O-CG 3.31Å; I129-L133 WeakPolarHBondContact O-CG 3.43Å; I129-L133 PolarHBondContact O-N 2.87Å
130I98Very high94.8Very high3 Ų355.8 Ų55.82%0.01529%0.285CS..Hα-helixtrans-60.8-44.2177.4-68.9169000111.2S42 L49 F62 F126 L127 W132 L133 S134S42-I130 VanDerWaalsContact CA-CD1 3.48Å; S42-I130 WeakPolarHBondContact O-CD1 3.35Å; L49-I130 HydrophobicContact CD1-CG1 4.27Å; L49-I130 HydrophobicContact CD1-CG2 3.94Å; F62-I130 HydrophobicContact CB-CG2 4.13Å; F62-I130 HydrophobicContact CD1-CD1 4.47Å; F62-I130 HydrophobicContact CD1-CG2 3.76Å; F62-I130 HydrophobicContact CD2-CD1 3.97Å; F62-I130 HydrophobicContact CE1-CD1 4.26Å; F62-I130 HydrophobicContact CE1-CG2 4.3Å; F62-I130 HydrophobicContact CE2-CD1 3.75Å; F62-I130 HydrophobicContact CG-CD1 4.32Å; F62-I130 HydrophobicContact CG-CG2 3.9Å; F62-I130 HydrophobicContact CZ-CD1 3.9Å; F126-I130 WeakPolarHBondContact O-CG1 3.43Å; F126-I130 PolarHBondContact O-N 3.16Å; L127-I130 PolarHBondContact O-N 3.42Å; I130-W132 VanDerWaalsContact C-N 3.33Å; I130-W132 PolarHBondContact O-N 3.42Å; I130-L133 CarbonylContact O-C 3.59Å; I130-L133 PolarHBondContact O-N 3.48Å; I130-S134 WeakPolarHBondContact O-CB 3.28Å; I130-S134 PolarHBondContact O-N 3.27Å; I130-S134 PolarHBondContact O-OG 3.07Å
131M97.6Very high94.1Very high23 Ų2359.4 Ų59.411%0.11329%0.29CS..Hα-helixtrans-60.3-44.5177.9-69.117473.600111S117 L121 L127 G128 I129 S134 K135 T136S117-M131 VanDerWaalsContact CB-CE 3.41Å; S117-M131 WeakPolarHBondContact OG-CE 3.38Å; L121-M131 HydrophobicContact CB-CE 3.64Å; L121-M131 HydrophobicContact CB-SD 3.76Å; L121-M131 HydrophobicContact CD1-CE 3.9Å; L121-M131 HydrophobicContact CG-CE 4.43Å; L127-M131 HydrophobicContact CG-SD 4.26Å; L127-M131 VanDerWaalsContact O-CG 3.27Å; L127-M131 WeakPolarHBondContact O-CG 3.22Å; L127-M131 PolarHBondContact O-N 3.42Å; G128-M131 PolarHBondContact O-N 3.17Å; I129-M131 VanDerWaalsContact C-N 3.34Å; I129-M131 PolarHBondContact O-N 3.25Å; M131-S134 CarbonylContact O-C 3.53Å; M131-S134 PolarHBondContact O-N 2.86Å; M131-K135 PolarHBondContact O-N 2.85Å; M131-T136 HydrophobicContact CB-CG2 4.3Å; M131-T136 HydrophobicContact CE-CG2 3.71Å; M131-T136 VanDerWaalsContact O-CB 3.24Å; M131-T136 WeakPolarHBondContact O-CB 3.48Å; M131-T136 PolarHBondContact O-N 2.77Å; M131-T136 VanDerWaalsContact O-N 3.08Å; M131-T136 PolarHBondContact O-OG1 3.26Å; M131-T136 VanDerWaalsContact O-OG1 3.09Å
132W97Very high93.5Very high146 Ų14661.1 Ų61.155%0.55331%0.306SS*.Hα-helixtrans-64.5-43176.3178.682.9000113R54 G128 I129 I130 S134 K135R54-W132 HydrophobicContact CG-CE3 4.34Å; R54-W132 HydrophobicContact CG-CH2 4.14Å; R54-W132 HydrophobicContact CG-CZ2 4.45Å; R54-W132 HydrophobicContact CG-CZ3 4.07Å; R54-W132 PolarHBondContact NE-O 3.17Å; R54-W132 PolarHBondContact NH2-O 3.25Å; G128-W132 PolarHBondContact O-N 2.72Å; I129-W132 PolarHBondContact O-N 2.72Å; I130-W132 VanDerWaalsContact C-N 3.33Å; I130-W132 PolarHBondContact O-N 3.42Å; W132-S134 PolarHBondContact O-N 2.89Å; W132-K135 PolarHBondContact O-N 2.91Å
133L97.9Very high92.9Very high7 Ų760.5 Ų60.54%0.03731%0.305CS..Hα-helixtrans-65.2-23.9174.1-72.3170.4000112.6L49 R54 K55 N58 I129 I130 K135L49-L133 HydrophobicContact CB-CB 4.28Å; L49-L133 HydrophobicContact CB-CD1 3.66Å; R54-L133 VanDerWaalsContact CA-O 3.29Å; R54-L133 WeakPolarHBondContact CA-O 2.94Å; R54-L133 HydrophobicContact CG-CD2 4.15Å; K55-L133 PolarHBondContact N-O 3.19Å; K55-L133 VanDerWaalsContact N-O 3.13Å; N58-L133 PolarHBondContact ND2-O 3.14Å; I129-L133 HydrophobicContact CG2-CD1 3.67Å; I129-L133 HydrophobicContact CG2-CG 4.27Å; I129-L133 WeakPolarHBondContact O-CB 3.32Å; I129-L133 VanDerWaalsContact O-CG 3.31Å; I129-L133 WeakPolarHBondContact O-CG 3.43Å; I129-L133 PolarHBondContact O-N 2.87Å; I130-L133 CarbonylContact O-C 3.59Å; I130-L133 PolarHBondContact O-N 3.48Å; L133-K135 VanDerWaalsContact C-N 3.35Å
134S97.5Very high92.1Very high3 Ų359.8 Ų59.82%0.02130%0.303CS..THydrogen-bonded Turntrans-93.27.4179.2-55.60000113.8N58 A59 I130 M131 W132 T136N58-S134 WeakPolarHBondContact CB-OG 3.5Å; A59-S134 PolarHBondContact N-OG 3.48Å; I130-S134 WeakPolarHBondContact O-CB 3.28Å; I130-S134 PolarHBondContact O-N 3.27Å; I130-S134 PolarHBondContact O-OG 3.07Å; M131-S134 CarbonylContact O-C 3.53Å; M131-S134 PolarHBondContact O-N 2.86Å; W132-S134 PolarHBondContact O-N 2.89Å; S134-T136 PolarHBondContact O-N 3.37Å
135K96.5Very high91.3Very high66 Ų6659.9 Ų59.929%0.28731%0.309SS..THydrogen-bonded Turntrans54.335.4-178.2-60.8177172.8-104.10112.4R54 Y56 S114 M131 W132 L133R54-K135 HydrophobicContact CB-CG 4.34Å; R54-K135 WeakPolarHBondContact O-CE 3.39Å; Y56-K135 HydrophobicContact CD1-CB 4.01Å; Y56-K135 HydrophobicContact CD1-CD 3.87Å; Y56-K135 HydrophobicContact CD2-CD 3.69Å; Y56-K135 HydrophobicContact CE1-CB 3.8Å; Y56-K135 HydrophobicContact CE1-CD 3.64Å; Y56-K135 HydrophobicContact CE1-CG 4.4Å; Y56-K135 HydrophobicContact CE2-CD 3.43Å; Y56-K135 VanDerWaalsContact CE2-CD 3.43Å; Y56-K135 HydrophobicContact CG-CD 3.91Å; Y56-K135 VanDerWaalsContact CZ-CD 3.43Å; S114-K135 PolarHBondContact OG-O 2.9Å; M131-K135 PolarHBondContact O-N 2.85Å; W132-K135 PolarHBondContact O-N 2.91Å; L133-K135 VanDerWaalsContact C-N 3.35Å
136T96.3Very high90.6Very high19 Ų1962.1 Ų62.112%0.11731%0.31CS..  trans-56.6138.3172.3-67.20000110.7V115 S117 M131 S134 S138V115-T136 HydrophobicContact CG1-CG2 3.93Å; V115-T136 WeakPolarHBondContact O-CG2 3.32Å; S117-T136 WeakPolarHBondContact OG-CG2 3.42Å; M131-T136 HydrophobicContact CB-CG2 4.3Å; M131-T136 HydrophobicContact CE-CG2 3.71Å; M131-T136 VanDerWaalsContact O-CB 3.24Å; M131-T136 WeakPolarHBondContact O-CB 3.48Å; M131-T136 PolarHBondContact O-N 2.77Å; M131-T136 VanDerWaalsContact O-N 3.08Å; M131-T136 PolarHBondContact O-OG1 3.26Å; M131-T136 VanDerWaalsContact O-OG1 3.09Å; S134-T136 PolarHBondContact O-N 3.37Å; T136-S138 PolarHBondContact O-N 3.26Å
137I94.1Very high89.8Confident22 Ų2258.4 Ų58.411%0.11330%0.297CS..EExtended strand (participates in β ladder)trans-85.1106.9175.9-58.2148.5000107.3V115 V116 S117 I139 A154 V165 M189V115-I137 PolarHBondContact O-N 3.17Å; V116-I137 WeakPolarHBondContact CA-O 3.46Å; V116-I137 HydrophobicContact CG2-CB 4.12Å; V116-I137 HydrophobicContact CG2-CD1 4.01Å; V116-I137 HydrophobicContact CG2-CG2 4.25Å; S117-I137 PolarHBondContact N-O 3.34Å; S117-I137 PolarHBondContact OG-O 3.36Å; I137-I139 HydrophobicContact CG2-CD1 4.39Å; I137-I139 HydrophobicContact CG2-CG1 4.12Å; I137-A154 HydrophobicContact CB-CB 4.47Å; I137-A154 HydrophobicContact CD1-CB 3.51Å; I137-A154 HydrophobicContact CG1-CB 3.66Å; I137-A154 HydrophobicContact CG2-CB 3.95Å; I137-V165 HydrophobicContact CD1-CG1 3.69Å; I137-V165 HydrophobicContact CD1-CG2 4.35Å; I137-M189 HydrophobicContact CD1-CE 4.34Å
138S92.6Very high89Confident52 Ų5258.8 Ų58.836%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-92.4117.7-180-68.10000110.3T136T136-S138 PolarHBondContact O-N 3.26Å
139I89.8Confident88.3Confident12 Ų1260.6 Ų60.66%0.06231%0.311CS..EExtended strand (participates in β ladder)trans-112.7126.8-178.7-59.9-176.2000110V116 S117 A119 I137 R141 A147 M151V116-I139 HydrophobicContact CG1-CD1 3.39Å; V116-I139 HydrophobicContact CG1-CG1 4.03Å; S117-I139 PolarHBondContact O-N 3.21Å; A119-I139 WeakPolarHBondContact CB-O 3.31Å; A119-I139 PolarHBondContact N-O 3.03Å; I137-I139 HydrophobicContact CG2-CD1 4.39Å; I137-I139 HydrophobicContact CG2-CG1 4.12Å; I139-R141 HydrophobicContact CG2-CG 4.14Å; I139-A147 HydrophobicContact CG2-CB 3.51Å; I139-M151 HydrophobicContact CD1-CG 3.68Å; I139-M151 HydrophobicContact CD1-SD 3.35Å; I139-M151 WeakPolarHBondContact CD1-SD 3.29Å
140D86.4Confident87.7Confident86 Ų8658.4 Ų58.446%0.4630%0.304SS..  trans-87122.8161.8-165.1-20.6000108.7A119 S142A119-D140 HydrophobicContact CB-CB 4.16Å; D140-S142 WeakPolarHBondContact OD1-CB 3.38Å; D140-S142 PolarHBondContact OD1-N 3.21Å; D140-S142 PolarHBondContact OD1-OG 3.41Å; D140-S142 PolarHBondContact OD2-OG 3.21Å
141R79Confident87.1Confident130 Ų13058.6 Ų58.649%0.49131%0.305SS..SBendtrans-93-6-174.5-63177.2-178.4159-11.6112.9I139 H143 G171I139-R141 HydrophobicContact CG2-CG 4.14Å; R141-H143 PolarHBondContact O-N 2.9Å; R141-G171 PolarHBondContact NH1-O 3.43Å; R141-G171 PolarHBondContact NH2-O 3.07Å
142S80.1Confident86.3Confident84 Ų8460.4 Ų60.459%0.58731%0.313SS*.SBendtrans-67.2-24.3172.955.60000112.1D140D140-S142 WeakPolarHBondContact OD1-CB 3.38Å; D140-S142 PolarHBondContact OD1-N 3.21Å; D140-S142 PolarHBondContact OD1-OG 3.41Å; D140-S142 PolarHBondContact OD2-OG 3.21Å
143H78.5Confident85.8Confident101 Ų10160.3 Ų60.347%0.46832%0.317SS..  trans-119.597.5-178-60.287.2000110.4R141 T145 D146 A147R141-H143 PolarHBondContact O-N 2.9Å; H143-T145 PolarHBondContact O-N 3.47Å; H143-D146 HydrophobicContact CB-CB 3.91Å; H143-D146 WeakPolarHBondContact CB-OD2 3.48Å; H143-D146 IonicContact CG-OD2 3.72Å; H143-D146 PolarHBondContact O-N 3.22Å; H143-A147 PolarHBondContact O-N 2.87Å
144H76.5Confident85.3Confident142 Ų14260.6 Ų60.666%0.65732%0.32SS*.Hα-helixtrans-60.8-41.2-174-178.9-96.8000113.4A147 I148H144-A147 WeakPolarHBondContact O-CB 3.35Å; H144-A147 PolarHBondContact O-N 3.45Å; H144-I148 WeakPolarHBondContact CE1-CD1 3.49Å; H144-I148 PolarHBondContact O-N 2.87Å
145T76.7Confident84.7Confident102 Ų10260.5 Ų60.563%0.62632%0.319SS*.Hα-helixtrans-61.8-42.8177.446.50000111.8H143 A147 I148 S149H143-T145 PolarHBondContact O-N 3.47Å; T145-A147 VanDerWaalsContact C-N 3.34Å; T145-I148 PolarHBondContact O-N 2.89Å; T145-S149 PolarHBondContact O-N 3.22Å
146D79.7Confident84.2Confident95 Ų9560.5 Ų60.551%0.50832%0.322SS..Hα-helixtrans-68.6-37.1179.3-63.2-8.9000111H143 S149 A150H143-D146 HydrophobicContact CB-CB 3.91Å; H143-D146 WeakPolarHBondContact CB-OD2 3.48Å; H143-D146 IonicContact CG-OD2 3.72Å; H143-D146 PolarHBondContact O-N 3.22Å; D146-S149 PolarHBondContact O-N 3.18Å; D146-A150 WeakPolarHBondContact O-CB 3.29Å; D146-A150 PolarHBondContact O-N 3.1Å
147A80.9Confident83.9Confident18 Ų1861 Ų6115%0.14933%0.328CS..Hα-helixtrans-61.4-43.5173.900000111.7I139 H143 H144 T145 M151I139-A147 HydrophobicContact CG2-CB 3.51Å; H143-A147 PolarHBondContact O-N 2.87Å; H144-A147 WeakPolarHBondContact O-CB 3.35Å; H144-A147 PolarHBondContact O-N 3.45Å; T145-A147 VanDerWaalsContact C-N 3.34Å; A147-M151 WeakPolarHBondContact O-CG 3.27Å; A147-M151 PolarHBondContact O-N 2.74Å; A147-M151 VanDerWaalsContact O-N 3.08Å
148I78.9Confident83.8Confident45 Ų4560 Ų6023%0.23132%0.323CS..Hα-helixtrans-62.5-54.9174.5-68.7174.5000109.7H144 T145 A150 M151 E152H144-I148 WeakPolarHBondContact CE1-CD1 3.49Å; H144-I148 PolarHBondContact O-N 2.87Å; T145-I148 PolarHBondContact O-N 2.89Å; I148-A150 VanDerWaalsContact C-N 3.25Å; I148-A150 PolarHBondContact O-N 3.03Å; I148-M151 CarbonylContact O-C 3.59Å; I148-M151 WeakPolarHBondContact O-CA 3.2Å; I148-M151 WeakPolarHBondContact O-CB 3.3Å; I148-M151 PolarHBondContact O-N 2.68Å; I148-E152 HydrophobicContact CG2-CG 4.1Å; I148-E152 WeakPolarHBondContact O-CG 3.36Å; I148-E152 PolarHBondContact O-N 3.38Å
149S82.2Confident83.5Confident40 Ų4062 Ų6228%0.2833%0.325SS..Hα-helixtrans-57.4-37.9-178.5-173.60000112.9T145 D146 E152 K153T145-S149 PolarHBondContact O-N 3.22Å; D146-S149 PolarHBondContact O-N 3.18Å; S149-E152 PolarHBondContact O-N 2.65Å; S149-K153 WeakPolarHBondContact O-CG 3.47Å; S149-K153 PolarHBondContact O-N 3.35Å
150A85.4Confident83.5Confident30 Ų3068.5 Ų68.525%0.24836%0.355CS..Hα-helixtrans-64-40.8174.600000112D146 I148 A154D146-A150 WeakPolarHBondContact O-CB 3.29Å; D146-A150 PolarHBondContact O-N 3.1Å; I148-A150 VanDerWaalsContact C-N 3.25Å; I148-A150 PolarHBondContact O-N 3.03Å; A150-A154 WeakPolarHBondContact O-CB 3.38Å; A150-A154 PolarHBondContact O-N 3.3Å
151M84.9Confident83.9Confident8 Ų867.3 Ų67.34%0.03935%0.349CS..Hα-helixtrans-65.9-40.7175.1-70.2-65.9-74.800111.9V116 I139 A147 I148 A154 A155 I167 G185 M189V116-M151 HydrophobicContact CG1-SD 4.37Å; V116-M151 HydrophobicContact CG2-CE 4.2Å; V116-M151 HydrophobicContact CG2-SD 3.71Å; I139-M151 HydrophobicContact CD1-CG 3.68Å; I139-M151 HydrophobicContact CD1-SD 3.35Å; I139-M151 WeakPolarHBondContact CD1-SD 3.29Å; A147-M151 WeakPolarHBondContact O-CG 3.27Å; A147-M151 PolarHBondContact O-N 2.74Å; A147-M151 VanDerWaalsContact O-N 3.08Å; I148-M151 CarbonylContact O-C 3.59Å; I148-M151 WeakPolarHBondContact O-CA 3.2Å; I148-M151 WeakPolarHBondContact O-CB 3.3Å; I148-M151 PolarHBondContact O-N 2.68Å; M151-A154 PolarHBondContact O-N 3.29Å; M151-A155 WeakPolarHBondContact O-CB 3.5Å; M151-A155 PolarHBondContact O-N 2.78Å; M151-I167 HydrophobicContact CE-CD1 3.45Å; M151-I167 VanDerWaalsContact CE-CD1 3.45Å; M151-G185 VanDerWaalsContact CE-C 3.49Å; M151-G185 VanDerWaalsContact CE-O 3.24Å; M151-G185 WeakPolarHBondContact CE-O 3.34Å; M151-M189 HydrophobicContact CB-CE 4.09Å; M151-M189 HydrophobicContact CE-CB 3.83Å; M151-M189 HydrophobicContact CE-CE 3.3Å; M151-M189 HydrophobicContact CE-CG 4.37Å; M151-M189 HydrophobicContact CE-SD 3.77Å; M151-M189 HydrophobicContact CG-CE 4.4Å; M151-M189 VanDerWaalsContact O-CE 3.23Å; M151-M189 WeakPolarHBondContact O-CE 3.39Å; M151-M189 HydrophobicContact SD-CE 3.42Å; M151-M189 WeakPolarHBondContact SD-CE 3.47Å
152E80.9Confident84.5Confident61 Ų6168.8 Ų68.829%0.28536%0.359SS..Hα-helixtrans-62.6-50.2176.5-60.3-179.315100111.3I148 S149 A154 A155 I156 E192I148-E152 HydrophobicContact CG2-CG 4.1Å; I148-E152 WeakPolarHBondContact O-CG 3.36Å; I148-E152 PolarHBondContact O-N 3.38Å; S149-E152 PolarHBondContact O-N 2.65Å; E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 3.26Å; E152-A155 VanDerWaalsContact O-CB 3.28Å; E152-A155 WeakPolarHBondContact O-CB 3.34Å; E152-A155 PolarHBondContact O-N 3.02Å; E152-A155 VanDerWaalsContact O-N 3.11Å; E152-I156 WeakPolarHBondContact O-CG1 2.97Å; E152-I156 PolarHBondContact O-N 2.9Å; E152-I156 VanDerWaalsContact O-N 3.1Å; E152-E192 HydrophobicContact CB-CG 4.27Å; E152-E192 HydrophobicContact CG-CG 3.95Å
153K86.8Confident85.2Confident143 Ų14364.9 Ų64.962%0.62233%0.331SS*.Hα-helixtrans-58.9-40.9176.1-72.3172-176.1170.30111.8S149 I156 A157S149-K153 WeakPolarHBondContact O-CG 3.47Å; S149-K153 PolarHBondContact O-N 3.35Å; K153-I156 PolarHBondContact O-N 2.86Å; K153-A157 WeakPolarHBondContact O-CB 3.43Å; K153-A157 PolarHBondContact O-N 3.34Å
154A88Confident86Confident14 Ų1460.4 Ų60.412%0.11631%0.312CS..Hα-helixtrans-65.4-38.3176.700000112.2I137 A150 M151 E152 A157 A158 M189I137-A154 HydrophobicContact CB-CB 4.47Å; I137-A154 HydrophobicContact CD1-CB 3.51Å; I137-A154 HydrophobicContact CG1-CB 3.66Å; I137-A154 HydrophobicContact CG2-CB 3.95Å; A150-A154 WeakPolarHBondContact O-CB 3.38Å; A150-A154 PolarHBondContact O-N 3.3Å; M151-A154 PolarHBondContact O-N 3.29Å; E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 3.26Å; A154-A157 PolarHBondContact O-N 3.47Å; A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 3.23Å; A154-M189 HydrophobicContact CB-CE 3.61Å
155A84.4Confident87Confident0 Ų053.7 Ų53.70%028%0.281CS..Hα-helixtrans-57.9-53.3174.300000110.4M151 E152 A157 A158 K159 M189 I195M151-A155 WeakPolarHBondContact O-CB 3.5Å; M151-A155 PolarHBondContact O-N 2.78Å; E152-A155 VanDerWaalsContact O-CB 3.28Å; E152-A155 WeakPolarHBondContact O-CB 3.34Å; E152-A155 PolarHBondContact O-N 3.02Å; E152-A155 VanDerWaalsContact O-N 3.11Å; A155-A157 PolarHBondContact O-N 2.96Å; A155-A158 WeakPolarHBondContact O-CA 3.37Å; A155-A158 WeakPolarHBondContact O-CB 3.32Å; A155-A158 PolarHBondContact O-N 3.41Å; A155-K159 PolarHBondContact O-N 2.77Å; A155-M189 HydrophobicContact CB-CG 3.66Å; A155-I195 HydrophobicContact CB-CD1 3.65Å; A155-I195 WeakPolarHBondContact O-CD1 3.38Å
156I87Confident87.9Confident67 Ų6748.9 Ų48.934%0.34425%0.251SS..Hα-helixtrans-55.5-51.3179.9-63.6167.7000110.7E152 K153 A158 K159 Q160 C193E152-I156 WeakPolarHBondContact O-CG1 2.97Å; E152-I156 PolarHBondContact O-N 2.9Å; E152-I156 VanDerWaalsContact O-N 3.1Å; K153-I156 PolarHBondContact O-N 2.86Å; I156-A158 PolarHBondContact O-N 2.99Å; I156-K159 PolarHBondContact O-N 2.96Å; I156-Q160 HydrophobicContact CG2-CG 4.42Å; I156-Q160 WeakPolarHBondContact O-CG 3.33Å; I156-Q160 PolarHBondContact O-N 3.48Å; I156-C193 VanDerWaalsContact CD1-SG 3.53Å; I156-C193 HydrophobicContact CG1-CB 3.93Å; I156-C193 WeakPolarHBondContact CG1-SG 3.44Å
157A90.1Very high88.7Confident28 Ų2844.8 Ų44.823%0.23123%0.229CC..Hα-helixtrans-60.1-38.1178.300000111.4K153 A154 A155 N161K153-A157 WeakPolarHBondContact O-CB 3.43Å; K153-A157 PolarHBondContact O-N 3.34Å; A154-A157 PolarHBondContact O-N 3.47Å; A155-A157 PolarHBondContact O-N 2.96Å; A157-N161 WeakPolarHBondContact O-CB 3.48Å; A157-N161 PolarHBondContact O-N 3.1Å; A157-N161 PolarHBondContact O-ND2 3.18Å
158A90.3Very high89.4Confident2 Ų245.4 Ų45.42%0.01723%0.228CC..Hα-helixtrans-65-44.4-179.400000112.4A154 A155 I156 K162 V163 V165 F197A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 3.23Å; A155-A158 WeakPolarHBondContact O-CA 3.37Å; A155-A158 WeakPolarHBondContact O-CB 3.32Å; A155-A158 PolarHBondContact O-N 3.41Å; I156-A158 PolarHBondContact O-N 2.99Å; A158-K162 WeakPolarHBondContact O-CA 3.33Å; A158-K162 PolarHBondContact O-N 3.08Å; A158-V163 VanDerWaalsContact CA-CG2 3.43Å; A158-V163 HydrophobicContact CB-CG2 3.82Å; A158-V163 PolarHBondContact O-N 3.09Å; A158-V165 HydrophobicContact CB-CG2 3.8Å; A158-F197 HydrophobicContact CB-CE2 3.73Å; A158-F197 HydrophobicContact CB-CZ 4.25Å
159K87.2Confident90.2Very high95 Ų9543.5 Ų43.541%0.41322%0.219SC..Hα-helixtrans-61.8-52173.5-179.4171.3-179.11750112.3A155 I156 N161 K162 Q194 I195 F197A155-K159 PolarHBondContact O-N 2.77Å; I156-K159 PolarHBondContact O-N 2.96Å; K159-N161 PolarHBondContact O-N 2.8Å; K159-K162 PolarHBondContact O-N 2.81Å; K159-K162 VanDerWaalsContact O-N 3.11Å; K159-Q194 PolarHBondContact NZ-O 3.11Å; K159-I195 HydrophobicContact CB-CB 4.43Å; K159-I195 HydrophobicContact CB-CD1 3.83Å; K159-I195 HydrophobicContact CB-CG1 4.06Å; K159-I195 HydrophobicContact CB-CG2 3.74Å; K159-I195 HydrophobicContact CD-CB 3.92Å; K159-I195 HydrophobicContact CD-CD1 4.17Å; K159-I195 HydrophobicContact CD-CG1 3.52Å; K159-I195 HydrophobicContact CD-CG2 3.9Å; K159-I195 HydrophobicContact CG-CG1 4.44Å; K159-I195 HydrophobicContact CG-CG2 4.21Å; K159-F197 HydrophobicContact CB-CE1 4.42Å; K159-F197 HydrophobicContact CB-CZ 4.23Å
160Q90.5Very high90.7Very high147 Ų14742 Ų4269%0.68721%0.207SC*.Hα-helixtrans-57.9-37.4-177.7-73.3174.2-15.600112I156I156-Q160 HydrophobicContact CG2-CG 4.42Å; I156-Q160 WeakPolarHBondContact O-CG 3.33Å; I156-Q160 PolarHBondContact O-N 3.48Å
161N93.2Very high90.8Very high61 Ų6141.1 Ų41.133%0.32620%0.202SC..Hα-helixtrans-94.1-0-177.6-69.2-89.6000113.8Y56 R112 A157 K159 V163Y56-N161 HydrophobicContact CD2-CB 4.26Å; Y56-N161 HydrophobicContact CE2-CB 3.62Å; R112-N161 PolarHBondContact NH2-O 3.05Å; A157-N161 WeakPolarHBondContact O-CB 3.48Å; A157-N161 PolarHBondContact O-N 3.1Å; A157-N161 PolarHBondContact O-ND2 3.18Å; K159-N161 PolarHBondContact O-N 2.8Å; N161-V163 HydrophobicContact CB-CG1 4.03Å; N161-V163 HydrophobicContact CB-CG2 4.33Å
162K93.3Very high90.9Very high162 Ų16244.5 Ų44.570%0.70422%0.223SC*.THydrogen-bonded Turntrans50.558.8-174.3-55.8179.6-178-1780111.5P89 A158 K159P89-K162 HydrophobicContact CG-CB 4.06Å; A158-K162 WeakPolarHBondContact O-CA 3.33Å; A158-K162 PolarHBondContact O-N 3.08Å; K159-K162 PolarHBondContact O-N 2.81Å; K159-K162 VanDerWaalsContact O-N 3.11Å
163V94.7Very high91.3Very high1 Ų148 Ų481%0.00623%0.233CC..  trans-126.5145.8-179.3-59.70000110.4Y56 R112 A158 N161Y56-V163 HydrophobicContact CD1-CB 4.18Å; Y56-V163 HydrophobicContact CD1-CG1 3.84Å; Y56-V163 HydrophobicContact CD1-CG2 3.97Å; Y56-V163 HydrophobicContact CD2-CG1 3.6Å; Y56-V163 HydrophobicContact CE1-CG1 4.32Å; Y56-V163 HydrophobicContact CE1-CG2 3.82Å; Y56-V163 HydrophobicContact CE2-CG1 4.1Å; Y56-V163 HydrophobicContact CG-CB 4.27Å; Y56-V163 HydrophobicContact CG-CG1 3.44Å; Y56-V163 VanDerWaalsContact CG-CG1 3.44Å; Y56-V163 HydrophobicContact CG-CG2 4.39Å; R112-V163 HydrophobicContact CB-CG1 4.06Å; R112-V163 WeakPolarHBondContact O-CA 3.39Å; A158-V163 VanDerWaalsContact CA-CG2 3.43Å; A158-V163 HydrophobicContact CB-CG2 3.82Å; A158-V163 PolarHBondContact O-N 3.09Å; N161-V163 HydrophobicContact CB-CG1 4.03Å; N161-V163 HydrophobicContact CB-CG2 4.33Å
164S95.6Very high91.4Very high8 Ų844.9 Ų44.96%0.05622%0.22CC..EExtended strand (participates in β ladder)trans-80.2164.3172.5-57.30000111.2C90 R112 C113 S114C90-S164 PolarHBondContact N-OG 2.97Å; C90-S164 CarbonylContact O-C 3.58Å; C90-S164 WeakPolarHBondContact O-CA 3.27Å; C90-S164 VanDerWaalsContact O-CB 3.23Å; C90-S164 WeakPolarHBondContact O-CB 3.41Å; R112-S164 PolarHBondContact O-N 3.31Å; C113-S164 WeakPolarHBondContact CA-O 3.49Å; S114-S164 PolarHBondContact N-O 2.82Å
165V95.6Very high91Very high1 Ų148.9 Ų48.91%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-126.4128.7173.8-173.90000109.8C90 I91 Y92 S114 V116 I137 A158 I167 M189C90-V165 PolarHBondContact O-N 3.36Å; I91-V165 CarbonylContact C-O 3.58Å; I91-V165 WeakPolarHBondContact CA-O 3.4Å; Y92-V165 PolarHBondContact N-O 2.94Å; S114-V165 CarbonylContact O-C 3.58Å; S114-V165 WeakPolarHBondContact O-CA 3.2Å; V116-V165 HydrophobicContact CG2-CG1 4.01Å; I137-V165 HydrophobicContact CD1-CG1 3.69Å; I137-V165 HydrophobicContact CD1-CG2 4.35Å; A158-V165 HydrophobicContact CB-CG2 3.8Å; V165-I167 HydrophobicContact CG1-CD1 4Å; V165-I167 HydrophobicContact CG1-CG1 3.81Å; V165-M189 HydrophobicContact CB-SD 4Å; V165-M189 HydrophobicContact CG1-CE 4.3Å; V165-M189 HydrophobicContact CG1-SD 3.83Å; V165-M189 HydrophobicContact CG2-SD 4.02Å
166F96.9Very high90.3Very high0 Ų050.2 Ų50.20%025%0.251CS..EExtended strand (participates in β ladder)trans-99.2128.1175.6-149.8-70000110.8Y92 V105 W109 S114 V115 V116 F168Y92-F166 VanDerWaalsContact CB-CD2 3.47Å; Y92-F166 HydrophobicContact CD1-CE2 4.37Å; Y92-F166 HydrophobicContact CD2-CD2 4.44Å; Y92-F166 AromaticContact CG-CD2 3.95Å; Y92-F166 HydrophobicContact CG-CD2 3.95Å; Y92-F166 HydrophobicContact CG-CE2 4.12Å; V105-F166 HydrophobicContact CB-CE2 4.34Å; V105-F166 HydrophobicContact CB-CZ 4.04Å; V105-F166 HydrophobicContact CG1-CE1 4.47Å; V105-F166 HydrophobicContact CG1-CZ 3.8Å; V105-F166 HydrophobicContact CG2-CZ 4.28Å; W109-F166 AromaticContact CE3-CD2 3.88Å; W109-F166 HydrophobicContact CE3-CD2 3.88Å; W109-F166 HydrophobicContact CE3-CE2 4.21Å; W109-F166 HydrophobicContact CE3-CG 4.34Å; W109-F166 HydrophobicContact CH2-CB 3.75Å; W109-F166 HydrophobicContact CH2-CD2 4.28Å; W109-F166 AromaticContact CH2-CG 3.97Å; W109-F166 HydrophobicContact CH2-CG 3.97Å; W109-F166 HydrophobicContact CZ2-CB 4.37Å; W109-F166 HydrophobicContact CZ3-CB 3.99Å; W109-F166 HydrophobicContact CZ3-CD1 4.16Å; W109-F166 AromaticContact CZ3-CD2 3.68Å; W109-F166 HydrophobicContact CZ3-CD2 3.68Å; W109-F166 HydrophobicContact CZ3-CE2 4.21Å; W109-F166 AromaticContact CZ3-CG 3.66Å; W109-F166 HydrophobicContact CZ3-CG 3.66Å; S114-F166 PolarHBondContact O-N 2.89Å; V115-F166 WeakPolarHBondContact CA-O 3.32Å; V115-F166 HydrophobicContact CB-CB 4.39Å; V115-F166 HydrophobicContact CG2-CB 4.26Å; V116-F166 PolarHBondContact N-O 2.95Å; F166-F168 HydrophobicContact CD1-CE2 4.34Å; F166-F168 HydrophobicContact CD1-CZ 4.29Å; F166-F168 HydrophobicContact CE1-CE1 4.11Å; F166-F168 HydrophobicContact CE1-CE2 4.43Å; F166-F168 AromaticContact CE1-CZ 3.93Å; F166-F168 HydrophobicContact CE1-CZ 3.93Å
167I95.6Very high89.9Confident9 Ų950.2 Ų50.25%0.04625%0.254CS..EExtended strand (participates in β ladder)trans-137.7140.5-174.8-49-178000110.6I91 Y92 V93 S94 V116 M151 V165 P169 A186 M189I91-I167 HydrophobicContact CG2-CD1 3.73Å; I91-I167 HydrophobicContact CG2-CG1 4.15Å; Y92-I167 PolarHBondContact O-N 3.05Å; V93-I167 VanDerWaalsContact CA-O 3.31Å; V93-I167 WeakPolarHBondContact CA-O 3.45Å; S94-I167 PolarHBondContact N-O 3.18Å; S94-I167 VanDerWaalsContact N-O 3.15Å; V116-I167 HydrophobicContact CB-CG1 4.14Å; V116-I167 HydrophobicContact CB-CG2 4.35Å; V116-I167 HydrophobicContact CG2-CD1 3.94Å; V116-I167 HydrophobicContact CG2-CG1 3.71Å; M151-I167 HydrophobicContact CE-CD1 3.45Å; M151-I167 VanDerWaalsContact CE-CD1 3.45Å; V165-I167 HydrophobicContact CG1-CD1 4Å; V165-I167 HydrophobicContact CG1-CG1 3.81Å; I167-P169 WeakPolarHBondContact O-CD 3.44Å; I167-A186 HydrophobicContact CB-CB 4.35Å; I167-A186 HydrophobicContact CD1-CB 3.78Å; I167-A186 HydrophobicContact CG2-CB 4.11Å; I167-M189 HydrophobicContact CD1-SD 3.83Å
168F96Very high89.8Confident32 Ų3253.1 Ų53.114%0.1427%0.265CS..  trans-100.297167.4-65.8-75.8000108.9S94 H96 D101 F166 E170 G171S94-F168 VanDerWaalsContact O-CD1 3.32Å; S94-F168 WeakPolarHBondContact O-CD1 3.47Å; H96-F168 HydrophobicContact CB-CB 3.87Å; H96-F168 HydrophobicContact CB-CD1 3.72Å; H96-F168 HydrophobicContact CB-CG 4Å; H96-F168 AromaticContact CG-CD1 3.81Å; H96-F168 AromaticContact CG-CG 3.82Å; H96-F168 AromaticContact ND1-CD1 3.76Å; H96-F168 AromaticContact ND1-CE1 3.99Å; H96-F168 AromaticContact ND1-CG 3.96Å; D101-F168 HydrophobicContact CB-CE1 4.18Å; D101-F168 HydrophobicContact CB-CZ 4.27Å; F166-F168 HydrophobicContact CD1-CE2 4.34Å; F166-F168 HydrophobicContact CD1-CZ 4.29Å; F166-F168 HydrophobicContact CE1-CE1 4.11Å; F166-F168 HydrophobicContact CE1-CE2 4.43Å; F166-F168 AromaticContact CE1-CZ 3.93Å; F166-F168 HydrophobicContact CE1-CZ 3.93Å; F168-E170 VanDerWaalsContact C-N 3.28Å; F168-E170 PolarHBondContact O-N 3.46Å; F168-G171 PolarHBondContact O-N 3.37Å
169P95.3Very high89.9Confident4 Ų453.5 Ų53.53%0.02627%0.267CS..THydrogen-bonded Turntrans-71.4-19.9-165.731-36.7000113.4V93 S94 I167 G171 F182 K183 F187V93-P169 HydrophobicContact CB-CG 4.15Å; S94-P169 VanDerWaalsContact O-CD 3.24Å; S94-P169 WeakPolarHBondContact O-CD 3.27Å; I167-P169 WeakPolarHBondContact O-CD 3.44Å; P169-G171 PolarHBondContact O-N 3.04Å; P169-F182 HydrophobicContact CB-CB 4.09Å; P169-F182 HydrophobicContact CB-CD1 4.23Å; P169-F182 HydrophobicContact CB-CD2 4.02Å; P169-F182 HydrophobicContact CB-CG 3.86Å; P169-F182 HydrophobicContact CG-CD1 3.88Å; P169-F182 HydrophobicContact CG-CD2 3.77Å; P169-F182 HydrophobicContact CG-CE1 3.9Å; P169-F182 HydrophobicContact CG-CE2 3.76Å; P169-F182 HydrophobicContact CG-CG 3.82Å; P169-F182 HydrophobicContact CG-CZ 3.83Å; P169-K183 WeakPolarHBondContact O-CB 3.47Å; P169-K183 PolarHBondContact O-N 3.31Å; P169-F187 HydrophobicContact CB-CE2 4.37Å
170E93.8Very high90.2Very high8 Ų850.7 Ų50.74%0.03726%0.256CS..THydrogen-bonded Turntrans-59.6-27.1173.2-66.3179-103.600112.3N95 H96 F168 T172 L180 F182N95-E170 WeakPolarHBondContact CA-OE1 3.47Å; N95-E170 WeakPolarHBondContact CB-OE1 3.3Å; H96-E170 PolarHBondContact N-OE1 3.44Å; F168-E170 VanDerWaalsContact C-N 3.28Å; F168-E170 PolarHBondContact O-N 3.46Å; E170-T172 PolarHBondContact O-N 2.76Å; E170-L180 HydrophobicContact CB-CB 4.08Å; E170-L180 HydrophobicContact CG-CB 3.95Å; E170-L180 VanDerWaalsContact OE2-CB 3.22Å; E170-L180 WeakPolarHBondContact OE2-CB 3.06Å; E170-L180 WeakPolarHBondContact OE2-CG 3.44Å; E170-L180 PolarHBondContact OE2-N 3.46Å; E170-F182 HydrophobicContact CG-CD1 3.77Å; E170-F182 HydrophobicContact CG-CE1 3.66Å
171G86.6Confident90.4Very high13 Ų1348 Ų4813%0.13425%0.251CS..SBendtrans72.50.2179.100000114.1R141 F168 P169R141-G171 PolarHBondContact NH1-O 3.43Å; R141-G171 PolarHBondContact NH2-O 3.07Å; F168-G171 PolarHBondContact O-N 3.37Å; P169-G171 PolarHBondContact O-N 3.04Å
172T87.7Confident90.5Very high78 Ų7845.8 Ų45.848%0.47924%0.239SC..SBendtrans-152.3163.5170.3-172.30000109.5E170 L180E170-T172 PolarHBondContact O-N 2.76Å; T172-L180 HydrophobicContact CG2-CD1 3.34Å
173R89.6Confident90.5Very high135 Ų13544.6 Ų44.651%0.50923%0.234SC..  trans-77.5140.4171.1-66.6170.7-171155.3-0.4109.2H96H96-R173 VanDerWaalsContact CD2-CG 3.42Å; H96-R173 WeakPolarHBondContact CD2-CG 3.06Å; H96-R173 PolarHBondContact CE1-NE 2.72Å; H96-R173 WeakPolarHBondContact NE2-CG 3.49Å; H96-R173 PolarHBondContact NE2-NE 3.18Å; H96-R173 CarbonylContact O-C 3.59Å; H96-R173 VanDerWaalsContact O-CA 3.28Å; H96-R173 WeakPolarHBondContact O-CA 3.5Å
174F88.1Confident90.3Very high77 Ų7749 Ų4934%0.33825%0.253SS..  trans-141.5111.8174.3-167.8-131.2000110.2H96 Q97 A176 N178 L180H96-F174 PolarHBondContact O-N 3.35Å; Q97-F174 WeakPolarHBondContact CA-O 3.3Å; F174-A176 HydrophobicContact CD1-CB 3.69Å; F174-A176 HydrophobicContact CD2-CB 4.27Å; F174-A176 HydrophobicContact CE1-CB 3.29Å; F174-A176 HydrophobicContact CE2-CB 3.88Å; F174-A176 HydrophobicContact CG-CB 4.18Å; F174-A176 HydrophobicContact CZ-CB 3.37Å; F174-A176 PolarHBondContact O-N 3.25Å; F174-N178 WeakPolarHBondContact CD1-O 3.33Å; F174-L180 HydrophobicContact CB-CD1 3.6Å; F174-L180 HydrophobicContact CB-CD2 4.3Å; F174-L180 HydrophobicContact CB-CG 3.71Å; F174-L180 HydrophobicContact CD1-CD1 4.33Å; F174-L180 HydrophobicContact CD1-CD2 3.47Å; F174-L180 VanDerWaalsContact CD1-CD2 3.47Å; F174-L180 HydrophobicContact CD1-CG 3.57Å; F174-L180 HydrophobicContact CD2-CD1 4.45Å; F174-L180 HydrophobicContact CD2-CD2 4.12Å; F174-L180 HydrophobicContact CD2-CG 4.45Å; F174-L180 HydrophobicContact CE1-CD2 3.62Å; F174-L180 HydrophobicContact CE1-CG 4.24Å; F174-L180 HydrophobicContact CE2-CD2 4.29Å; F174-L180 HydrophobicContact CG-CD1 3.92Å; F174-L180 HydrophobicContact CG-CD2 3.72Å; F174-L180 HydrophobicContact CG-CG 3.69Å; F174-L180 HydrophobicContact CZ-CD2 4.06Å
175D78.8Confident90Very high98 Ų9849.8 Ų49.852%0.52426%0.262SS..  trans-89.141.7-176.263.8-22.9000112.1H213D175-H213 IonicContact OD2-CD2 3.61Å; D175-H213 PolarHBondContact OD2-CD2 2.89Å; D175-H213 IonicContact OD2-CG 3.94Å
176A71.1Confident89.7Confident29 Ų2950 Ų5024%0.2426%0.264CS..SBendtrans-119.5175.8-177.400000112.8F174 N178F174-A176 HydrophobicContact CD1-CB 3.69Å; F174-A176 HydrophobicContact CD2-CB 4.27Å; F174-A176 HydrophobicContact CE1-CB 3.29Å; F174-A176 HydrophobicContact CE2-CB 3.88Å; F174-A176 HydrophobicContact CG-CB 4.18Å; F174-A176 HydrophobicContact CZ-CB 3.37Å; F174-A176 PolarHBondContact O-N 3.25Å; A176-N178 PolarHBondContact O-N 2.94Å
177V77.7Confident89.5Confident67 Ų6750 Ų5041%0.40626%0.264SS..SBendtrans-78.41.6-172.5-107.90000115F256 K260V177-F256 WeakPolarHBondContact O-CE1 3.48Å; V177-K260 HydrophobicContact CB-CD 4.34Å; V177-K260 HydrophobicContact CG1-CD 3.9Å; V177-K260 HydrophobicContact CG1-CG 4.41Å; V177-K260 PolarHBondContact O-NZ 3.26Å
178N88.1Confident89.2Confident88 Ų8851.8 Ų51.847%0.47127%0.272SS..SBendtrans-137.8156.6-177.3-57.4-27.2000110.7F174 A176 E257 K260F174-N178 WeakPolarHBondContact CD1-O 3.33Å; A176-N178 PolarHBondContact O-N 2.94Å; N178-E257 PolarHBondContact OD1-OE1 3.46Å; N178-K260 PolarHBondContact OD1-NZ 2.96Å
179L92.8Very high88.9Confident11 Ų1150.3 Ų50.36%0.05827%0.266CS..PPolyproline II helixtrans-80.3138.2173.2-8656.9000112N95 F182 R249 M252 V253 F256N95-L179 HydrophobicContact CB-CD1 4.28Å; N95-L179 HydrophobicContact CB-CD2 4.33Å; N95-L179 HydrophobicContact CB-CG 4.07Å; L179-F182 HydrophobicContact CD2-CE1 4.29Å; L179-F182 HydrophobicContact CD2-CZ 4.14Å; L179-R249 PolarHBondContact O-NH2 2.98Å; L179-R249 VanDerWaalsContact O-NH2 3.08Å; L179-M252 HydrophobicContact CD2-CB 3.91Å; L179-M252 HydrophobicContact CD2-CE 4.49Å; L179-V253 HydrophobicContact CB-CG2 4.15Å; L179-V253 HydrophobicContact CD2-CG2 4.11Å; L179-F256 HydrophobicContact CD1-CB 3.64Å; L179-F256 HydrophobicContact CD1-CD1 3.3Å; L179-F256 HydrophobicContact CD1-CD2 3.46Å; L179-F256 VanDerWaalsContact CD1-CD2 3.46Å; L179-F256 HydrophobicContact CD1-CE1 3.61Å; L179-F256 HydrophobicContact CD1-CE2 3.79Å; L179-F256 HydrophobicContact CD1-CG 3.18Å; L179-F256 HydrophobicContact CD1-CZ 3.83Å
180L94.3Very high88.6Confident36 Ų3650.1 Ų50.119%0.18826%0.264CS..PPolyproline II helixtrans-67.9165.8172.2-65.9-179.9000112.6E170 T172 F174 F182 R249E170-L180 HydrophobicContact CB-CB 4.08Å; E170-L180 HydrophobicContact CG-CB 3.95Å; E170-L180 VanDerWaalsContact OE2-CB 3.22Å; E170-L180 WeakPolarHBondContact OE2-CB 3.06Å; E170-L180 WeakPolarHBondContact OE2-CG 3.44Å; E170-L180 PolarHBondContact OE2-N 3.46Å; T172-L180 HydrophobicContact CG2-CD1 3.34Å; F174-L180 HydrophobicContact CB-CD1 3.6Å; F174-L180 HydrophobicContact CB-CD2 4.3Å; F174-L180 HydrophobicContact CB-CG 3.71Å; F174-L180 HydrophobicContact CD1-CD1 4.33Å; F174-L180 HydrophobicContact CD1-CD2 3.47Å; F174-L180 VanDerWaalsContact CD1-CD2 3.47Å; F174-L180 HydrophobicContact CD1-CG 3.57Å; F174-L180 HydrophobicContact CD2-CD1 4.45Å; F174-L180 HydrophobicContact CD2-CD2 4.12Å; F174-L180 HydrophobicContact CD2-CG 4.45Å; F174-L180 HydrophobicContact CE1-CD2 3.62Å; F174-L180 HydrophobicContact CE1-CG 4.24Å; F174-L180 HydrophobicContact CE2-CD2 4.29Å; F174-L180 HydrophobicContact CG-CD1 3.92Å; F174-L180 HydrophobicContact CG-CD2 3.72Å; F174-L180 HydrophobicContact CG-CG 3.69Å; F174-L180 HydrophobicContact CZ-CD2 4.06Å; L180-F182 WeakPolarHBondContact O-CD1 3.4Å; L180-R249 PolarHBondContact O-NE 2.86Å; L180-R249 VanDerWaalsContact O-NE 3.17Å
181P94.6Very high88.4Confident90 Ų9050.3 Ų50.358%0.58427%0.266SS*.PPolyproline II helixtrans-58.9138.2166.4-23.634.8000111.7
182F95.4Very high88Confident15 Ų1550.9 Ų50.97%0.06627%0.265CS..PPolyproline II helixtrans-81.9145.6178.2-70.60.6000111.4P169 E170 L179 L180 F187 L245 T248 R249 M252P169-F182 HydrophobicContact CB-CB 4.09Å; P169-F182 HydrophobicContact CB-CD1 4.23Å; P169-F182 HydrophobicContact CB-CD2 4.02Å; P169-F182 HydrophobicContact CB-CG 3.86Å; P169-F182 HydrophobicContact CG-CD1 3.88Å; P169-F182 HydrophobicContact CG-CD2 3.77Å; P169-F182 HydrophobicContact CG-CE1 3.9Å; P169-F182 HydrophobicContact CG-CE2 3.76Å; P169-F182 HydrophobicContact CG-CG 3.82Å; P169-F182 HydrophobicContact CG-CZ 3.83Å; E170-F182 HydrophobicContact CG-CD1 3.77Å; E170-F182 HydrophobicContact CG-CE1 3.66Å; L179-F182 HydrophobicContact CD2-CE1 4.29Å; L179-F182 HydrophobicContact CD2-CZ 4.14Å; L180-F182 WeakPolarHBondContact O-CD1 3.4Å; F182-F187 HydrophobicContact CB-CE2 4.15Å; F182-F187 HydrophobicContact CD2-CE2 4.25Å; F182-F187 AromaticContact CD2-CZ 3.89Å; F182-F187 HydrophobicContact CD2-CZ 3.89Å; F182-L245 HydrophobicContact CB-CD1 4.34Å; F182-L245 HydrophobicContact CB-CD2 4.18Å; F182-L245 HydrophobicContact CB-CG 4.12Å; F182-T248 HydrophobicContact CE2-CG2 4.33Å; F182-R249 HydrophobicContact CD1-CG 4.37Å; F182-R249 HydrophobicContact CD2-CB 3.7Å; F182-R249 HydrophobicContact CD2-CG 4.09Å; F182-R249 HydrophobicContact CE1-CG 4.29Å; F182-R249 HydrophobicContact CE2-CB 3.74Å; F182-R249 HydrophobicContact CE2-CG 4.03Å; F182-R249 HydrophobicContact CG-CB 4.29Å; F182-R249 HydrophobicContact CG-CG 4.27Å; F182-R249 HydrophobicContact CZ-CB 4.34Å; F182-R249 HydrophobicContact CZ-CG 4.13Å; F182-M252 HydrophobicContact CE2-CE 4.44Å; F182-M252 HydrophobicContact CE2-SD 3.63Å; F182-M252 HydrophobicContact CZ-CB 4.44Å; F182-M252 HydrophobicContact CZ-CE 3.86Å; F182-M252 HydrophobicContact CZ-SD 3.62Å
183K92.7Very high86.5Confident136 Ų13649.6 Ų49.659%0.59126%0.258SS*.PPolyproline II helixtrans-86.1150170-55.6-55.4-174.6-176.50110P169 G185P169-K183 WeakPolarHBondContact O-CB 3.47Å; P169-K183 PolarHBondContact O-N 3.31Å; K183-G185 VanDerWaalsContact C-N 3.29Å; K183-G185 PolarHBondContact O-N 3.42Å
184K90.4Very high85Confident94 Ų9450.5 Ų50.541%0.40927%0.268SS..THydrogen-bonded Turntrans-71.1-15.8-174.8-57.4-166.8-174.6-162.90115.2A186 F187 H188 V241 D242 L245K184-A186 PolarHBondContact O-N 3.49Å; K184-F187 PolarHBondContact O-N 3.38Å; K184-H188 PolarHBondContact O-CD2 2.94Å; K184-H188 PolarHBondContact O-N 2.86Å; K184-V241 HydrophobicContact CB-CG1 4.38Å; K184-V241 HydrophobicContact CD-CG1 4.47Å; K184-D242 WeakPolarHBondContact CD-OD1 3.43Å; K184-D242 WeakPolarHBondContact CE-OD1 3.36Å; K184-D242 IonicContact NZ-OD1 3.97Å; K184-D242 PolarHBondContact NZ-OD1 3Å; K184-D242 IonicContact NZ-OD2 3.47Å; K184-D242 PolarHBondContact NZ-OD2 3.47Å; K184-L245 HydrophobicContact CB-CD1 4.5Å; K184-L245 HydrophobicContact CG-CD1 3.92Å
185G88.4Confident83.9Confident25 Ų2547.5 Ų47.526%0.25826%0.256SS..Hα-helixtrans-55.1-44.1-169.300000115M151 K183 F187 M189M151-G185 VanDerWaalsContact CE-C 3.49Å; M151-G185 VanDerWaalsContact CE-O 3.24Å; M151-G185 WeakPolarHBondContact CE-O 3.34Å; K183-G185 VanDerWaalsContact C-N 3.29Å; K183-G185 PolarHBondContact O-N 3.42Å; G185-F187 VanDerWaalsContact C-N 3.28Å; G185-F187 PolarHBondContact O-N 2.96Å; G185-M189 WeakPolarHBondContact O-CB 3.32Å; G185-M189 PolarHBondContact O-N 2.87Å
186A90.2Very high83.6Confident4 Ų446.9 Ų46.93%0.03325%0.248CC..Hα-helixtrans-62.7-36.1177.900000112.6I91 V93 I167 K184 M189 A190I91-A186 HydrophobicContact CG2-CB 4.48Å; V93-A186 HydrophobicContact CG1-CB 4.08Å; I167-A186 HydrophobicContact CB-CB 4.35Å; I167-A186 HydrophobicContact CD1-CB 3.78Å; I167-A186 HydrophobicContact CG2-CB 4.11Å; K184-A186 PolarHBondContact O-N 3.49Å; A186-M189 PolarHBondContact O-N 3.48Å; A186-A190 PolarHBondContact O-N 3.03Å
187F92.6Very high84.5Confident0 Ų046.1 Ų46.10%024%0.24CC..Hα-helixtrans-82-36.1-174.7-52.7-71.9000111.9P169 F182 K184 G185 A190 I191 I199 V241 L244 L245 T248P169-F187 HydrophobicContact CB-CE2 4.37Å; F182-F187 HydrophobicContact CB-CE2 4.15Å; F182-F187 HydrophobicContact CD2-CE2 4.25Å; F182-F187 AromaticContact CD2-CZ 3.89Å; F182-F187 HydrophobicContact CD2-CZ 3.89Å; K184-F187 PolarHBondContact O-N 3.38Å; G185-F187 VanDerWaalsContact C-N 3.28Å; G185-F187 PolarHBondContact O-N 2.96Å; F187-A190 PolarHBondContact O-N 3.27Å; F187-I191 PolarHBondContact O-N 2.82Å; F187-I199 HydrophobicContact CD1-CD1 4.38Å; F187-I199 HydrophobicContact CD1-CG1 4.49Å; F187-V241 HydrophobicContact CB-CG1 3.93Å; F187-L244 HydrophobicContact CB-CD2 4.35Å; F187-L244 HydrophobicContact CD1-CB 4.49Å; F187-L244 HydrophobicContact CD1-CD2 4.05Å; F187-L244 HydrophobicContact CD1-CG 3.83Å; F187-L245 HydrophobicContact CD1-CB 4.32Å; F187-L245 HydrophobicContact CD2-CB 3.67Å; F187-L245 HydrophobicContact CD2-CD1 3.72Å; F187-L245 HydrophobicContact CD2-CG 3.72Å; F187-L245 HydrophobicContact CE1-CB 4.44Å; F187-L245 HydrophobicContact CE2-CB 3.83Å; F187-L245 HydrophobicContact CE2-CD1 3.82Å; F187-L245 HydrophobicContact CE2-CG 3.51Å; F187-L245 HydrophobicContact CG-CB 3.92Å; F187-L245 HydrophobicContact CG-CG 4.46Å; F187-L245 HydrophobicContact CZ-CB 4.21Å; F187-L245 HydrophobicContact CZ-CG 4.11Å; F187-T248 HydrophobicContact CE1-CG2 3.92Å; F187-T248 WeakPolarHBondContact CE1-OG1 3.36Å; F187-T248 HydrophobicContact CZ-CG2 4.14Å
188H89.1Confident85.3Confident48 Ų4843.4 Ų43.422%0.22222%0.223CC..Hα-helixtrans-57.1-51.4164.5-80.7-69.1000110.2K184 A190 I191 E192K184-H188 PolarHBondContact O-CD2 2.94Å; K184-H188 PolarHBondContact O-N 2.86Å; H188-A190 PolarHBondContact O-N 3.14Å; H188-I191 PolarHBondContact O-N 2.92Å; H188-E192 WeakPolarHBondContact O-CB 3.44Å; H188-E192 PolarHBondContact O-N 2.81Å
189M89.1Confident85.7Confident1 Ų139.2 Ų39.21%0.00520%0.201CC..Hα-helixtrans-56.4-35.6178.2-179.9-174.6-85.800113.4I91 I137 M151 A154 A155 V165 I167 G185 A186I91-M189 HydrophobicContact CD1-CB 3.87Å; I91-M189 HydrophobicContact CD1-CG 3.56Å; I91-M189 HydrophobicContact CD1-SD 3.85Å; I91-M189 HydrophobicContact CG1-SD 4.36Å; I137-M189 HydrophobicContact CD1-CE 4.34Å; M151-M189 HydrophobicContact CB-CE 4.09Å; M151-M189 HydrophobicContact CE-CB 3.83Å; M151-M189 HydrophobicContact CE-CE 3.3Å; M151-M189 HydrophobicContact CE-CG 4.37Å; M151-M189 HydrophobicContact CE-SD 3.77Å; M151-M189 HydrophobicContact CG-CE 4.4Å; M151-M189 VanDerWaalsContact O-CE 3.23Å; M151-M189 WeakPolarHBondContact O-CE 3.39Å; M151-M189 HydrophobicContact SD-CE 3.42Å; M151-M189 WeakPolarHBondContact SD-CE 3.47Å; A154-M189 HydrophobicContact CB-CE 3.61Å; A155-M189 HydrophobicContact CB-CG 3.66Å; V165-M189 HydrophobicContact CB-SD 4Å; V165-M189 HydrophobicContact CG1-CE 4.3Å; V165-M189 HydrophobicContact CG1-SD 3.83Å; V165-M189 HydrophobicContact CG2-SD 4.02Å; I167-M189 HydrophobicContact CD1-SD 3.83Å; G185-M189 WeakPolarHBondContact O-CB 3.32Å; G185-M189 PolarHBondContact O-N 2.87Å; A186-M189 PolarHBondContact O-N 3.48Å
190A90.5Very high85.9Confident0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-67-40.2179.900000113.2I91 A186 F187 H188 K196 F197 I199 T233 L244I91-A190 VanDerWaalsContact CD1-CA 3.44Å; I91-A190 HydrophobicContact CD1-CB 3.73Å; I91-A190 VanDerWaalsContact CD1-N 3.33Å; A186-A190 PolarHBondContact O-N 3.03Å; F187-A190 PolarHBondContact O-N 3.27Å; H188-A190 PolarHBondContact O-N 3.14Å; A190-K196 PolarHBondContact O-N 3.15Å; A190-F197 PolarHBondContact O-N 2.92Å; A190-I199 HydrophobicContact CB-CD1 3.53Å; A190-I199 HydrophobicContact CB-CG1 4.26Å; A190-T233 HydrophobicContact CB-CG2 4.18Å; A190-L244 HydrophobicContact CB-CD2 4.09Å
191I88.4Confident86.1Confident12 Ų1237 Ų376%0.06219%0.189CC..Hα-helixtrans-89.8-28.7-175.4-68.7168.1000111.5F187 H188 M236 N237 V241 L244F187-I191 PolarHBondContact O-N 2.82Å; H188-I191 PolarHBondContact O-N 2.92Å; I191-M236 HydrophobicContact CD1-CB 4.39Å; I191-M236 HydrophobicContact CG1-CB 4.24Å; I191-N237 VanDerWaalsContact CG2-C 3.44Å; I191-V241 HydrophobicContact CD1-CB 4.26Å; I191-V241 HydrophobicContact CD1-CG2 3.58Å; I191-L244 HydrophobicContact CD1-CD2 3.89Å; I191-L244 HydrophobicContact CG1-CD2 4.12Å
192E77.7Confident86.3Confident25 Ų2532.7 Ų32.712%0.11716%0.161CC..G310 helixtrans-63.6153.9-173.5-163.759.1-130.100113.1E152 H188 Q194 I195 K238E152-E192 HydrophobicContact CB-CG 4.27Å; E152-E192 HydrophobicContact CG-CG 3.95Å; H188-E192 WeakPolarHBondContact O-CB 3.44Å; H188-E192 PolarHBondContact O-N 2.81Å; E192-Q194 PolarHBondContact O-N 2.92Å; E192-Q194 VanDerWaalsContact O-N 3.09Å; E192-I195 WeakPolarHBondContact O-CB 3.44Å; E192-I195 VanDerWaalsContact O-CG1 3.29Å; E192-I195 WeakPolarHBondContact O-CG1 3.48Å; E192-I195 PolarHBondContact O-N 3.25Å; E192-I195 VanDerWaalsContact O-N 3.08Å; E192-K238 WeakPolarHBondContact OE1-CE 3.13Å; E192-K238 IonicContact OE1-NZ 2.74Å; E192-K238 PolarHBondContact OE1-NZ 2.69Å; E192-K238 WeakPolarHBondContact OE2-CE 3.18Å; E192-K238 IonicContact OE2-NZ 3.82Å; E192-K238 PolarHBondContact OE2-NZ 3.22Å
193C57Low86.4Confident50 Ų5032 Ų3234%0.33816%0.158SC..G310 helixtrans57.125.6173.4-67.30000115I156 I195I156-C193 VanDerWaalsContact CD1-SG 3.53Å; I156-C193 HydrophobicContact CG1-CB 3.93Å; I156-C193 WeakPolarHBondContact CG1-SG 3.44Å; C193-I195 HydrophobicContact CB-CD1 3.57Å; C193-I195 HydrophobicContact CB-CG1 3.49Å; C193-I195 VanDerWaalsContact CB-CG1 3.49Å; C193-I195 VanDerWaalsContact O-CG1 3.31Å; C193-I195 WeakPolarHBondContact O-CG1 3.35Å; C193-I195 PolarHBondContact O-N 3.18Å
194Q57.6Low86.6Confident155 Ų15525.5 Ų25.572%0.72413%0.13SC*.G310 helixtrans50.527.9-175.1-55.7179.2-18.600111.7K159 E192 K196K159-Q194 PolarHBondContact NZ-O 3.11Å; E192-Q194 PolarHBondContact O-N 2.92Å; E192-Q194 VanDerWaalsContact O-N 3.09Å; Q194-K196 VanDerWaalsContact C-N 3.33Å
195I65.1Low86.8Confident14 Ų1422.1 Ų22.17%0.07212%0.116CC..  trans-75.1-34.6-175.8-60-171.8000109.4A155 K159 E192 C193 F197A155-I195 HydrophobicContact CB-CD1 3.65Å; A155-I195 WeakPolarHBondContact O-CD1 3.38Å; K159-I195 HydrophobicContact CB-CB 4.43Å; K159-I195 HydrophobicContact CB-CD1 3.83Å; K159-I195 HydrophobicContact CB-CG1 4.06Å; K159-I195 HydrophobicContact CB-CG2 3.74Å; K159-I195 HydrophobicContact CD-CB 3.92Å; K159-I195 HydrophobicContact CD-CD1 4.17Å; K159-I195 HydrophobicContact CD-CG1 3.52Å; K159-I195 HydrophobicContact CD-CG2 3.9Å; K159-I195 HydrophobicContact CG-CG1 4.44Å; K159-I195 HydrophobicContact CG-CG2 4.21Å; E192-I195 WeakPolarHBondContact O-CB 3.44Å; E192-I195 VanDerWaalsContact O-CG1 3.29Å; E192-I195 WeakPolarHBondContact O-CG1 3.48Å; E192-I195 PolarHBondContact O-N 3.25Å; E192-I195 VanDerWaalsContact O-N 3.08Å; C193-I195 HydrophobicContact CB-CD1 3.57Å; C193-I195 HydrophobicContact CB-CG1 3.49Å; C193-I195 VanDerWaalsContact CB-CG1 3.49Å; C193-I195 VanDerWaalsContact O-CG1 3.31Å; C193-I195 WeakPolarHBondContact O-CG1 3.35Å; C193-I195 PolarHBondContact O-N 3.18Å; I195-F197 HydrophobicContact CG2-CB 4.39Å; I195-F197 HydrophobicContact CG2-CD1 3.27Å; I195-F197 HydrophobicContact CG2-CD2 3.9Å; I195-F197 HydrophobicContact CG2-CE1 3.34Å; I195-F197 HydrophobicContact CG2-CE2 3.97Å; I195-F197 HydrophobicContact CG2-CG 3.57Å; I195-F197 HydrophobicContact CG2-CZ 3.72Å; I195-F197 PolarHBondContact O-N 2.96Å
196K73.9Confident87.1Confident84 Ų8421 Ų2137%0.36510%0.104SC..  trans50.948.3171.6-63.9168.9173.7-176.50109.9A190 Q194 T233 K234A190-K196 PolarHBondContact O-N 3.15Å; Q194-K196 VanDerWaalsContact C-N 3.33Å; K196-T233 VanDerWaalsContact CA-OG1 3.31Å; K196-T233 WeakPolarHBondContact CA-OG1 3.49Å; K196-T233 PolarHBondContact O-OG1 2.75Å; K196-K234 HydrophobicContact CB-CG 4.34Å
197F88.7Confident87.4Confident14 Ų1421.1 Ų21.16%0.06110%0.103CC..PPolyproline II helixtrans-73.3131.1174.1-83.7-2000108.7P89 I91 A158 K159 A190 I195 T233P89-F197 HydrophobicContact CB-CE1 3.85Å; P89-F197 HydrophobicContact CB-CE2 4.33Å; P89-F197 HydrophobicContact CB-CZ 3.7Å; I91-F197 HydrophobicContact CD1-CB 4.39Å; I91-F197 HydrophobicContact CG1-CB 4.1Å; I91-F197 HydrophobicContact CG1-CD2 4.04Å; A158-F197 HydrophobicContact CB-CE2 3.73Å; A158-F197 HydrophobicContact CB-CZ 4.25Å; K159-F197 HydrophobicContact CB-CE1 4.42Å; K159-F197 HydrophobicContact CB-CZ 4.23Å; A190-F197 PolarHBondContact O-N 2.92Å; I195-F197 HydrophobicContact CG2-CB 4.39Å; I195-F197 HydrophobicContact CG2-CD1 3.27Å; I195-F197 HydrophobicContact CG2-CD2 3.9Å; I195-F197 HydrophobicContact CG2-CE1 3.34Å; I195-F197 HydrophobicContact CG2-CE2 3.97Å; I195-F197 HydrophobicContact CG2-CG 3.57Å; I195-F197 HydrophobicContact CG2-CZ 3.72Å; I195-F197 PolarHBondContact O-N 2.96Å; F197-T233 VanDerWaalsContact C-OG1 3.26Å; F197-T233 PolarHBondContact N-OG1 3.47Å; F197-T233 VanDerWaalsContact O-CG2 3.32Å; F197-T233 WeakPolarHBondContact O-CG2 3.31Å; F197-T233 PolarHBondContact O-OG1 3.28Å
198P94.2Very high87.3Confident9 Ų923.8 Ų23.86%0.05813%0.125CC..PPolyproline II helixtrans-63.9149.617225.4-29.3000109.6E88 C90 I91 K230 I231E88-P198 HydrophobicContact CG-CG 4.32Å; C90-P198 HydrophobicContact CB-CG 3.73Å; C90-P198 WeakPolarHBondContact CB-O 3.3Å; I91-P198 PolarHBondContact N-O 3.2Å; P198-K230 HydrophobicContact CB-CD 4.36Å; P198-I231 CarbonylContact C-O 3.52Å; P198-I231 VanDerWaalsContact CA-O 3.27Å; P198-I231 WeakPolarHBondContact CA-O 3.31Å; P198-I231 WeakPolarHBondContact CB-O 3.36Å
199I96.4Very high87.3Confident0 Ų026.4 Ų26.40%014%0.136CC..EExtended strand (participates in β ladder)trans-84.6129166.2-60.5-59.3000107.4I91 V93 F187 A190 P201 K230 I231 T233 L244 T248I91-I199 HydrophobicContact CB-CD1 3.92Å; I91-I199 HydrophobicContact CD1-CD1 4.42Å; I91-I199 HydrophobicContact CG2-CD1 4.19Å; I91-I199 WeakPolarHBondContact O-CA 3.4Å; V93-I199 HydrophobicContact CG1-CG2 4.22Å; V93-I199 HydrophobicContact CG2-CG2 3.52Å; F187-I199 HydrophobicContact CD1-CD1 4.38Å; F187-I199 HydrophobicContact CD1-CG1 4.49Å; A190-I199 HydrophobicContact CB-CD1 3.53Å; A190-I199 HydrophobicContact CB-CG1 4.26Å; I199-P201 HydrophobicContact CG2-CG 4.22Å; I199-P201 WeakPolarHBondContact O-CD 3.41Å; I199-K230 CarbonylContact O-C 3.54Å; I199-K230 VanDerWaalsContact O-CA 3.32Å; I199-K230 WeakPolarHBondContact O-CA 3.47Å; I199-I231 HydrophobicContact CB-CB 4.36Å; I199-I231 PolarHBondContact N-O 2.88Å; I199-I231 PolarHBondContact O-N 3.17Å; I199-T233 HydrophobicContact CG1-CG2 4.42Å; I199-L244 HydrophobicContact CG1-CD1 4.1Å; I199-L244 HydrophobicContact CG1-CD2 4.05Å; I199-L244 HydrophobicContact CG1-CG 4.27Å; I199-T248 HydrophobicContact CG2-CG2 3.91Å
200Q97.7Very high87.6Confident0 Ų026.8 Ų26.80%014%0.138CC..EExtended strand (participates in β ladder)trans-108.296.5171.7-179.251.96300109.3L84 P86 I91 Y92 V93 I202 V227 L228L84-Q200 PolarHBondContact O-OE1 2.95Å; P86-Q200 HydrophobicContact CG-CB 4.45Å; P86-Q200 HydrophobicContact CG-CG 4.37Å; I91-Q200 PolarHBondContact O-N 2.93Å; Y92-Q200 WeakPolarHBondContact CA-O 3.16Å; Y92-Q200 HydrophobicContact CD1-CB 3.88Å; Y92-Q200 HydrophobicContact CD1-CG 3.58Å; Y92-Q200 HydrophobicContact CE1-CB 4.01Å; Y92-Q200 HydrophobicContact CE1-CG 3.46Å; Y92-Q200 VanDerWaalsContact CE1-CG 3.46Å; Y92-Q200 HydrophobicContact CG-CB 4.35Å; V93-Q200 PolarHBondContact N-O 3.42Å; Q200-I202 HydrophobicContact CG-CD1 4.21Å; Q200-V227 VanDerWaalsContact NE2-CG1 3.27Å; Q200-L228 PolarHBondContact NE2-O 2.67Å
201P98.6Very high87.8Confident0 Ų027.3 Ų27.30%014%0.14CC..EExtended strand (participates in β ladder)trans-75.4136.2179.3-6.323.2000111V93 I199 L228 I231 T248 M252V93-P201 HydrophobicContact CG2-CB 4.1Å; I199-P201 HydrophobicContact CG2-CG 4.22Å; I199-P201 WeakPolarHBondContact O-CD 3.41Å; P201-L228 HydrophobicContact CB-CB 4.08Å; P201-L228 HydrophobicContact CB-CD1 4.17Å; P201-L228 HydrophobicContact CB-CG 4.44Å; P201-L228 HydrophobicContact CG-CB 4.32Å; P201-L228 PolarHBondContact O-N 3.03Å; P201-I231 HydrophobicContact CG-CD1 4.3Å; P201-T248 HydrophobicContact CB-CG2 4.48Å; P201-T248 HydrophobicContact CG-CG2 4.36Å; P201-M252 HydrophobicContact CB-CG 3.82Å; P201-M252 HydrophobicContact CB-SD 4.06Å
202I98.4Very high88.1Confident0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-128.5127.9176.3-55.3-63.2000108L85 Y92 V93 S94 I108 Q200 V225 K226 V227L85-I202 HydrophobicContact CD2-CD1 4.21Å; Y92-I202 HydrophobicContact CD1-CD1 4.34Å; Y92-I202 HydrophobicContact CD1-CG1 4.09Å; V93-I202 PolarHBondContact O-N 3.05Å; S94-I202 WeakPolarHBondContact CA-O 3.32Å; S94-I202 WeakPolarHBondContact CB-O 3.41Å; S94-I202 PolarHBondContact OG-O 3.45Å; I108-I202 HydrophobicContact CD1-CB 4.33Å; I108-I202 HydrophobicContact CD1-CD1 3.74Å; I108-I202 HydrophobicContact CD1-CG1 3.85Å; I108-I202 HydrophobicContact CD1-CG2 3.58Å; Q200-I202 HydrophobicContact CG-CD1 4.21Å; I202-V225 HydrophobicContact CG2-CG1 3.65Å; I202-K226 WeakPolarHBondContact CA-O 3.25Å; I202-V227 HydrophobicContact CD1-CB 4.06Å; I202-V227 HydrophobicContact CD1-CG1 3.82Å; I202-V227 HydrophobicContact CD1-CG2 3.83Å
203V97.8Very high88.9Confident0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-115.6119.8176.7-166.70000109.7N95 K226 L228 M252 A255 F256 M259N95-V203 WeakPolarHBondContact OD1-CA 3.41Å; V203-K226 PolarHBondContact N-O 3.39Å; V203-K226 PolarHBondContact O-N 2.99Å; V203-L228 HydrophobicContact CG2-CD1 3.75Å; V203-L228 HydrophobicContact CG2-CG 4.19Å; V203-M252 HydrophobicContact CG2-CB 3.89Å; V203-M252 HydrophobicContact CG2-CE 4.32Å; V203-M252 HydrophobicContact CG2-CG 3.83Å; V203-A255 HydrophobicContact CB-CB 4.44Å; V203-A255 HydrophobicContact CG2-CB 4.05Å; V203-F256 HydrophobicContact CG1-CB 3.77Å; V203-F256 HydrophobicContact CG1-CD2 3.72Å; V203-F256 HydrophobicContact CG1-CG 4.25Å; V203-M259 HydrophobicContact CB-CE 3.54Å; V203-M259 HydrophobicContact CG1-CE 3.18Å
204I96.9Very high90.6Very high0 Ų036.6 Ų36.60%018%0.177CC..EExtended strand (participates in β ladder)trans-88.6130.9171-52.2173.6000108N95 Q97 D101 V105 Y207 Y223 V225 F256N95-I204 PolarHBondContact ND2-O 2.83Å; N95-I204 PolarHBondContact OD1-N 3.16Å; Q97-I204 PolarHBondContact NE2-O 3.24Å; D101-I204 HydrophobicContact CB-CD1 4.26Å; V105-I204 HydrophobicContact CG1-CD1 3.73Å; V105-I204 HydrophobicContact CG1-CG1 4.37Å; I204-Y207 HydrophobicContact CG2-CD1 4.43Å; I204-Y207 HydrophobicContact CG2-CE1 3.47Å; I204-Y207 VanDerWaalsContact CG2-CE1 3.47Å; I204-Y223 HydrophobicContact CG2-CD2 3.92Å; I204-Y223 HydrophobicContact CG2-CE2 3.77Å; I204-V225 HydrophobicContact CG1-CG1 4.43Å; I204-V225 HydrophobicContact CG1-CG2 4.44Å; I204-V225 HydrophobicContact CG2-CG2 4.41Å; I204-F256 WeakPolarHBondContact O-CD2 3.24Å; I204-F256 WeakPolarHBondContact O-CE2 3.16Å
205E95.4Very high92.3Very high24 Ų2436.4 Ų36.411%0.11217%0.173CC..PPolyproline II helixtrans-52145.5176.8-175.3173.1-155.500112.3Q97 Y207 K209 Y223 K224 M259Q97-E205 PolarHBondContact NE2-O 3.46Å; E205-Y207 WeakPolarHBondContact O-CD1 3.28Å; E205-Y207 PolarHBondContact O-N 2.82Å; E205-K209 IonicContact OE1-NZ 2.69Å; E205-K209 PolarHBondContact OE1-NZ 2.93Å; E205-Y223 WeakPolarHBondContact OE2-CA 3.25Å; E205-Y223 WeakPolarHBondContact OE2-CB 3.48Å; E205-K224 HydrophobicContact CB-CB 4.28Å; E205-K224 WeakPolarHBondContact CB-O 3.26Å; E205-K224 PolarHBondContact N-O 3.34Å; E205-K224 PolarHBondContact OE2-N 3.12Å; E205-M259 HydrophobicContact CB-SD 4.38Å; E205-M259 HydrophobicContact CG-CB 4.21Å
206P94.8Very high93.8Very high2 Ų238.8 Ų38.81%0.01318%0.183CC..PPolyproline II helixtrans-56.9121.5179-19.625.6000112.6Q97 A208 F256 K260Q97-P206 VanDerWaalsContact OE1-CA 3.28Å; P206-A208 PolarHBondContact O-N 3.47Å; P206-F256 HydrophobicContact CB-CE1 4.24Å; P206-F256 HydrophobicContact CB-CE2 4.13Å; P206-F256 HydrophobicContact CB-CZ 3.71Å; P206-F256 HydrophobicContact CG-CD1 4.13Å; P206-F256 HydrophobicContact CG-CD2 4.13Å; P206-F256 HydrophobicContact CG-CE1 3.67Å; P206-F256 HydrophobicContact CG-CE2 3.65Å; P206-F256 HydrophobicContact CG-CG 4.37Å; P206-F256 HydrophobicContact CG-CZ 3.44Å; P206-F256 VanDerWaalsContact CG-CZ 3.44Å; P206-K260 HydrophobicContact CG-CB 4.01Å; P206-K260 HydrophobicContact CG-CG 4.36Å
207Y94.7Very high94.8Very high6 Ų636.5 Ų36.52%0.02418%0.175CC..G310 helixtrans-70.3-15.5178.3-63-23.1000113.5Q97 I100 D101 I204 E205 K209 F210 L211 Y223Q97-Y207 HydrophobicContact CB-CD2 3.7Å; Q97-Y207 HydrophobicContact CB-CE2 3.87Å; Q97-Y207 HydrophobicContact CB-CG 4.47Å; I100-Y207 HydrophobicContact CD1-CD2 3.83Å; I100-Y207 HydrophobicContact CD1-CE1 4.47Å; I100-Y207 HydrophobicContact CD1-CE2 3.67Å; I100-Y207 HydrophobicContact CD1-CG 4.33Å; I100-Y207 HydrophobicContact CG1-CD2 3.93Å; I100-Y207 HydrophobicContact CG1-CE2 3.4Å; D101-Y207 WeakPolarHBondContact CA-OH 3.26Å; D101-Y207 WeakPolarHBondContact OD1-CE2 3.43Å; D101-Y207 VanDerWaalsContact OD1-CZ 3.24Å; D101-Y207 PolarHBondContact OD1-OH 3.43Å; I204-Y207 HydrophobicContact CG2-CD1 4.43Å; I204-Y207 HydrophobicContact CG2-CE1 3.47Å; I204-Y207 VanDerWaalsContact CG2-CE1 3.47Å; E205-Y207 WeakPolarHBondContact O-CD1 3.28Å; E205-Y207 PolarHBondContact O-N 2.82Å; Y207-K209 PolarHBondContact O-N 2.86Å; Y207-F210 AromaticContact CD1-CE1 3.69Å; Y207-F210 HydrophobicContact CD1-CE1 3.69Å; Y207-F210 HydrophobicContact CD1-CE2 4.01Å; Y207-F210 AromaticContact CD1-CZ 3.16Å; Y207-F210 HydrophobicContact CD1-CZ 3.16Å; Y207-F210 HydrophobicContact CE1-CE1 4.5Å; Y207-F210 AromaticContact CE1-CZ 3.78Å; Y207-F210 HydrophobicContact CE1-CZ 3.78Å; Y207-F210 HydrophobicContact CG-CE1 4.38Å; Y207-F210 HydrophobicContact CG-CE2 4.19Å; Y207-F210 AromaticContact CG-CZ 3.76Å; Y207-F210 HydrophobicContact CG-CZ 3.76Å; Y207-F210 PolarHBondContact O-N 2.98Å; Y207-L211 HydrophobicContact CD2-CD2 4.43Å; Y207-L211 PolarHBondContact O-N 2.92Å; Y207-Y223 AromaticContact CE1-CD2 3.94Å; Y207-Y223 HydrophobicContact CE1-CD2 3.94Å; Y207-Y223 AromaticContact CE1-CE2 3.72Å; Y207-Y223 HydrophobicContact CE1-CE2 3.72Å
208A92.1Very high95.2Very high55 Ų5535.9 Ų35.946%0.45517%0.172SC..G310 helixtrans-51.5-21.7178.400000113.6P206 F210P206-A208 PolarHBondContact O-N 3.47Å; A208-F210 VanDerWaalsContact C-N 3.31Å; A208-F210 PolarHBondContact O-N 2.99Å
209K89.2Confident95.3Very high103 Ų10340.5 Ų40.545%0.44819%0.192SC..G310 helixtrans-64.7-28.9172.8-63.1-174.2-177.31800113.9E205 Y207 M259 K260E205-K209 IonicContact OE1-NZ 2.69Å; E205-K209 PolarHBondContact OE1-NZ 2.93Å; Y207-K209 PolarHBondContact O-N 2.86Å; K209-M259 PolarHBondContact NZ-O 3.16Å; K209-K260 WeakPolarHBondContact CE-O 3.32Å; K209-K260 PolarHBondContact NZ-O 3.26Å
210F94.3Very high95.4Very high10 Ų1045.7 Ų45.74%0.04422%0.219CC..THydrogen-bonded Turntrans-137.3-17.4-173.462.6-99.7000115.5L75 I100 Y207 A208 F218 K219 A221 Y223L75-F210 HydrophobicContact CD2-CD2 4.3Å; L75-F210 HydrophobicContact CD2-CE2 3.58Å; L75-F210 HydrophobicContact CD2-CZ 4.13Å; I100-F210 HydrophobicContact CD1-CE2 4.07Å; Y207-F210 AromaticContact CD1-CE1 3.69Å; Y207-F210 HydrophobicContact CD1-CE1 3.69Å; Y207-F210 HydrophobicContact CD1-CE2 4.01Å; Y207-F210 AromaticContact CD1-CZ 3.16Å; Y207-F210 HydrophobicContact CD1-CZ 3.16Å; Y207-F210 HydrophobicContact CE1-CE1 4.5Å; Y207-F210 AromaticContact CE1-CZ 3.78Å; Y207-F210 HydrophobicContact CE1-CZ 3.78Å; Y207-F210 HydrophobicContact CG-CE1 4.38Å; Y207-F210 HydrophobicContact CG-CE2 4.19Å; Y207-F210 AromaticContact CG-CZ 3.76Å; Y207-F210 HydrophobicContact CG-CZ 3.76Å; Y207-F210 PolarHBondContact O-N 2.98Å; A208-F210 VanDerWaalsContact C-N 3.31Å; A208-F210 PolarHBondContact O-N 2.99Å; F210-F218 HydrophobicContact CD2-CD2 4.37Å; F210-F218 HydrophobicContact CD2-CE2 4.16Å; F210-F218 HydrophobicContact CE2-CE2 4.31Å; F210-F218 CarbonylContact O-C 3.49Å; F210-F218 VanDerWaalsContact O-CA 3.24Å; F210-F218 WeakPolarHBondContact O-CA 3.4Å; F210-K219 HydrophobicContact CB-CB 4.15Å; F210-K219 PolarHBondContact O-N 2.82Å; F210-A221 HydrophobicContact CB-CB 3.73Å; F210-A221 HydrophobicContact CD1-CB 3.33Å; F210-A221 HydrophobicContact CD2-CB 3.7Å; F210-A221 HydrophobicContact CE1-CB 3.69Å; F210-A221 HydrophobicContact CE2-CB 4.05Å; F210-A221 HydrophobicContact CG-CB 3.31Å; F210-A221 HydrophobicContact CZ-CB 4.01Å; F210-Y223 AromaticContact CE1-CD1 3.99Å; F210-Y223 HydrophobicContact CE1-CD1 3.99Å; F210-Y223 AromaticContact CE1-CG 3.93Å; F210-Y223 HydrophobicContact CE1-CG 3.93Å; F210-Y223 AromaticContact CZ-CD1 3.82Å; F210-Y223 HydrophobicContact CZ-CD1 3.82Å; F210-Y223 HydrophobicContact CZ-CE1 4.21Å; F210-Y223 HydrophobicContact CZ-CG 4.04Å
211L95.6Very high95.3Very high10 Ų1046.3 Ų46.35%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-125.3118.8177.8177.362.4000109.7Y27 F31 I100 Y207 L217 F218Y27-L211 HydrophobicContact CD2-CD1 4.34Å; Y27-L211 HydrophobicContact CE2-CD1 4.02Å; F31-L211 HydrophobicContact CE2-CD1 3.82Å; F31-L211 HydrophobicContact CZ-CD1 3.88Å; F31-L211 HydrophobicContact CZ-CD2 4.36Å; I100-L211 HydrophobicContact CD1-CD2 3.8Å; I100-L211 HydrophobicContact CG1-CD2 4.32Å; Y207-L211 HydrophobicContact CD2-CD2 4.43Å; Y207-L211 PolarHBondContact O-N 2.92Å; L211-L217 WeakPolarHBondContact CA-O 3.48Å; L211-F218 HydrophobicContact CD1-CB 4.07Å; L211-F218 HydrophobicContact CD1-CD1 3.94Å; L211-F218 HydrophobicContact CD1-CD2 4.23Å; L211-F218 HydrophobicContact CD1-CE1 4.42Å; L211-F218 HydrophobicContact CD1-CG 3.83Å
212D94.4Very high95.3Very high42 Ų4251.1 Ų51.123%0.22525%0.253CS..EExtended strand (participates in β ladder)trans-131.3109.5173.3-178.2-31.2000108.6K214 K215 K216 L217D212-K214 VanDerWaalsContact C-N 3.31Å; D212-K214 PolarHBondContact O-N 3.38Å; D212-K214 WeakPolarHBondContact OD1-CA 3.44Å; D212-K214 WeakPolarHBondContact OD1-CB 3.45Å; D212-K214 PolarHBondContact OD1-N 3.31Å; D212-K215 HydrophobicContact CB-CB 4.21Å; D212-K215 PolarHBondContact OD1-N 3.2Å; D212-K215 WeakPolarHBondContact OD2-CD 3.26Å; D212-K215 WeakPolarHBondContact OD2-CE 3.34Å; D212-K215 VanDerWaalsContact OD2-CG 3.25Å; D212-K215 WeakPolarHBondContact OD2-CG 3.35Å; D212-K215 IonicContact OD2-NZ 2.74Å; D212-K216 WeakPolarHBondContact O-CA 3.24Å; D212-K216 PolarHBondContact O-N 3.09Å; D212-L217 HydrophobicContact CB-CB 4.15Å; D212-L217 PolarHBondContact N-O 3.11Å; D212-L217 PolarHBondContact O-N 2.88Å
213H93.6Very high95.2Very high45 Ų4551.2 Ų51.221%0.20825%0.254CS..THydrogen-bonded Turntrans-71.4-23.9-177.9-70.1-61.5000113.3Y27 F31 S98 D175 K216Y27-H213 AromaticContact CE2-ND1 3.8Å; Y27-H213 AromaticContact CZ-ND1 3.83Å; Y27-H213 PolarHBondContact OH-ND1 3.25Å; F31-H213 AromaticContact CZ-CE1 3.64Å; S98-H213 PolarHBondContact OG-NE2 3.36Å; D175-H213 IonicContact OD2-CD2 3.61Å; D175-H213 PolarHBondContact OD2-CD2 2.89Å; D175-H213 IonicContact OD2-CG 3.94Å; H213-K216 WeakPolarHBondContact O-CD 3.28Å; H213-K216 WeakPolarHBondContact O-CE 3.34Å; H213-K216 PolarHBondContact O-NZ 2.98Å
214K92.6Very high95.2Very high195 Ų19555.5 Ų55.585%0.84827%0.273SS*.THydrogen-bonded Turntrans-79.4-47.6177.7-174.7177.7179.4179.50110.6D212 K216D212-K214 VanDerWaalsContact C-N 3.31Å; D212-K214 PolarHBondContact O-N 3.38Å; D212-K214 WeakPolarHBondContact OD1-CA 3.44Å; D212-K214 WeakPolarHBondContact OD1-CB 3.45Å; D212-K214 PolarHBondContact OD1-N 3.31Å; K214-K216 VanDerWaalsContact C-N 3.28Å; K214-K216 PolarHBondContact O-N 3.36Å
215K94.1Very high95.2Very high151 Ų15155.5 Ų55.566%0.65727%0.273SS*.THydrogen-bonded Turntrans-79.7-8.2178.1-62.5-178.7-167.7167.40113.4D212 L217D212-K215 HydrophobicContact CB-CB 4.21Å; D212-K215 PolarHBondContact OD1-N 3.2Å; D212-K215 WeakPolarHBondContact OD2-CD 3.26Å; D212-K215 WeakPolarHBondContact OD2-CE 3.34Å; D212-K215 VanDerWaalsContact OD2-CG 3.25Å; D212-K215 WeakPolarHBondContact OD2-CG 3.35Å; D212-K215 IonicContact OD2-NZ 2.74Å; K215-L217 VanDerWaalsContact C-N 3.35Å
216K95.8Very high95.4Very high64 Ų6456.4 Ų56.428%0.27828%0.276SS..THydrogen-bonded Turntrans56.249.6-175.4-52.4-61178.4-156.60111.1K24 Y27 D212 H213 K214K24-K216 HydrophobicContact CG-CB 4.12Å; Y27-K216 WeakPolarHBondContact CB-O 3.42Å; Y27-K216 HydrophobicContact CD1-CB 4.1Å; Y27-K216 HydrophobicContact CD1-CD 4.03Å; Y27-K216 VanDerWaalsContact CD2-C 3.46Å; Y27-K216 HydrophobicContact CD2-CB 4.3Å; Y27-K216 HydrophobicContact CE1-CD 3.68Å; Y27-K216 HydrophobicContact CE2-CD 4.34Å; Y27-K216 HydrophobicContact CG-CB 4Å; D212-K216 WeakPolarHBondContact O-CA 3.24Å; D212-K216 PolarHBondContact O-N 3.09Å; H213-K216 WeakPolarHBondContact O-CD 3.28Å; H213-K216 WeakPolarHBondContact O-CE 3.34Å; H213-K216 PolarHBondContact O-NZ 2.98Å; K214-K216 VanDerWaalsContact C-N 3.28Å; K214-K216 PolarHBondContact O-N 3.36Å
217L95.6Very high95.5Very high37 Ų3756.3 Ų56.319%0.19428%0.275CS..EExtended strand (participates in β ladder)trans-108130177.7-179.666.7000109.1P23 L211 D212 K215 K219P23-L217 HydrophobicContact CB-CD1 3.87Å; L211-L217 WeakPolarHBondContact CA-O 3.48Å; D212-L217 HydrophobicContact CB-CB 4.15Å; D212-L217 PolarHBondContact N-O 3.11Å; D212-L217 PolarHBondContact O-N 2.88Å; K215-L217 VanDerWaalsContact C-N 3.35Å; L217-K219 HydrophobicContact CD1-CD 4.43Å; L217-K219 HydrophobicContact CD1-CG 3.92Å; L217-K219 HydrophobicContact CD2-CD 4.49Å; L217-K219 HydrophobicContact CG-CG 4.2Å
218F97.4Very high95.7Very high0 Ų056.6 Ų56.60%028%0.277CS..EExtended strand (participates in β ladder)trans-144.690171.3-164.6170.7000110.9Y27 K30 F31 I73 L75 I100 F210 L211Y27-F218 HydrophobicContact CD2-CB 3.95Å; Y27-F218 HydrophobicContact CG-CB 4.46Å; K30-F218 HydrophobicContact CB-CD1 3.82Å; K30-F218 HydrophobicContact CB-CE1 4.11Å; K30-F218 HydrophobicContact CB-CG 4.45Å; K30-F218 HydrophobicContact CD-CB 4.08Å; K30-F218 HydrophobicContact CD-CD1 3.87Å; K30-F218 HydrophobicContact CD-CD2 4.01Å; K30-F218 HydrophobicContact CD-CE1 4.31Å; K30-F218 HydrophobicContact CD-CE2 4.4Å; K30-F218 HydrophobicContact CD-CG 3.71Å; K30-F218 WeakPolarHBondContact CD-O 3.35Å; K30-F218 WeakPolarHBondContact CE-O 3.32Å; K30-F218 PolarHBondContact NZ-O 2.9Å; F31-F218 AromaticContact CD2-CD1 3.97Å; F31-F218 HydrophobicContact CD2-CD1 3.97Å; F31-F218 HydrophobicContact CD2-CE1 4.42Å; F31-F218 HydrophobicContact CE1-CE1 4.27Å; F31-F218 AromaticContact CE2-CD1 3.52Å; F31-F218 HydrophobicContact CE2-CD1 3.52Å; F31-F218 AromaticContact CE2-CE1 3.92Å; F31-F218 HydrophobicContact CE2-CE1 3.92Å; F31-F218 AromaticContact CZ-CD1 3.91Å; F31-F218 HydrophobicContact CZ-CD1 3.91Å; F31-F218 AromaticContact CZ-CE1 3.83Å; F31-F218 HydrophobicContact CZ-CE1 3.83Å; I73-F218 HydrophobicContact CD1-CE1 3.87Å; I73-F218 HydrophobicContact CD1-CZ 3.71Å; L75-F218 HydrophobicContact CD1-CZ 4.22Å; L75-F218 HydrophobicContact CD2-CE2 3.74Å; L75-F218 HydrophobicContact CD2-CZ 4.01Å; L75-F218 HydrophobicContact CG-CE2 4.33Å; L75-F218 HydrophobicContact CG-CZ 4.2Å; I100-F218 HydrophobicContact CD1-CZ 4.27Å; F210-F218 HydrophobicContact CD2-CD2 4.37Å; F210-F218 HydrophobicContact CD2-CE2 4.16Å; F210-F218 HydrophobicContact CE2-CE2 4.31Å; F210-F218 CarbonylContact O-C 3.49Å; F210-F218 VanDerWaalsContact O-CA 3.24Å; F210-F218 WeakPolarHBondContact O-CA 3.4Å; L211-F218 HydrophobicContact CD1-CB 4.07Å; L211-F218 HydrophobicContact CD1-CD1 3.94Å; L211-F218 HydrophobicContact CD1-CD2 4.23Å; L211-F218 HydrophobicContact CD1-CE1 4.42Å; L211-F218 HydrophobicContact CD1-CG 3.83Å
219K96.6Very high96Very high107 Ų10757.5 Ų57.547%0.46528%0.279SS..  trans-79.4161.9178.8-62.2178.7178.4174.80111.5K30 F210 L217K30-K219 PolarHBondContact NZ-O 2.82Å; K30-K219 VanDerWaalsContact NZ-O 3.08Å; F210-K219 HydrophobicContact CB-CB 4.15Å; F210-K219 PolarHBondContact O-N 2.82Å; L217-K219 HydrophobicContact CD1-CD 4.43Å; L217-K219 HydrophobicContact CD1-CG 3.92Å; L217-K219 HydrophobicContact CD2-CD 4.49Å; L217-K219 HydrophobicContact CG-CG 4.2Å
220N97Very high96.4Very high109 Ų10957 Ų5758%0.58328%0.276SS*.  trans-66145.6162.8-67.6-3.9000108.2K30 G74K30-N220 WeakPolarHBondContact CE-OD1 3.39Å; K30-N220 PolarHBondContact NZ-OD1 3.22Å; G74-N220 CarbonylContact O-C 3.52Å; G74-N220 WeakPolarHBondContact O-CA 3.22Å
221A96.8Very high96.5Very high12 Ų1256.8 Ų56.810%0.09928%0.276CS..EExtended strand (participates in β ladder)trans-147136.6-175.800000111.6G74 N76 F210 Y223G74-A221 PolarHBondContact O-N 3.37Å; N76-A221 PolarHBondContact N-O 3.38Å; F210-A221 HydrophobicContact CB-CB 3.73Å; F210-A221 HydrophobicContact CD1-CB 3.33Å; F210-A221 HydrophobicContact CD2-CB 3.7Å; F210-A221 HydrophobicContact CE1-CB 3.69Å; F210-A221 HydrophobicContact CE2-CB 4.05Å; F210-A221 HydrophobicContact CG-CB 3.31Å; F210-A221 HydrophobicContact CZ-CB 4.01Å; A221-Y223 HydrophobicContact CB-CD1 4.28Å
222T97.8Very high96.5Very high101 Ų10159.8 Ų59.862%0.6229%0.292SS*.EExtended strand (participates in β ladder)trans-99.1125.3154.4-58.10000106.3N76 V78N76-T222 VanDerWaalsContact O-CA 3.28Å; N76-T222 WeakPolarHBondContact O-CA 3.36Å; V78-T222 HydrophobicContact CG2-CG2 3.49Å; V78-T222 VanDerWaalsContact CG2-CG2 3.49Å
223Y96.3Very high96.4Very high3 Ų357.8 Ų57.81%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-142.2154.4-175.265-83.1000111L75 N76 P77 V78 G104 I204 E205 Y207 F210 A221 V225L75-Y223 HydrophobicContact CB-CE1 4.02Å; L75-Y223 HydrophobicContact CD2-CE1 3.94Å; N76-Y223 PolarHBondContact O-N 3.21Å; P77-Y223 CarbonylContact C-O 3.6Å; P77-Y223 WeakPolarHBondContact CA-O 3.36Å; P77-Y223 HydrophobicContact CB-CE1 4.32Å; P77-Y223 HydrophobicContact CB-CE2 4.06Å; V78-Y223 PolarHBondContact N-O 3.32Å; G104-Y223 WeakPolarHBondContact CA-OH 3.16Å; I204-Y223 HydrophobicContact CG2-CD2 3.92Å; I204-Y223 HydrophobicContact CG2-CE2 3.77Å; E205-Y223 WeakPolarHBondContact OE2-CA 3.25Å; E205-Y223 WeakPolarHBondContact OE2-CB 3.48Å; Y207-Y223 AromaticContact CE1-CD2 3.94Å; Y207-Y223 HydrophobicContact CE1-CD2 3.94Å; Y207-Y223 AromaticContact CE1-CE2 3.72Å; Y207-Y223 HydrophobicContact CE1-CE2 3.72Å; F210-Y223 AromaticContact CE1-CD1 3.99Å; F210-Y223 HydrophobicContact CE1-CD1 3.99Å; F210-Y223 AromaticContact CE1-CG 3.93Å; F210-Y223 HydrophobicContact CE1-CG 3.93Å; F210-Y223 AromaticContact CZ-CD1 3.82Å; F210-Y223 HydrophobicContact CZ-CD1 3.82Å; F210-Y223 HydrophobicContact CZ-CE1 4.21Å; F210-Y223 HydrophobicContact CZ-CG 4.04Å; A221-Y223 HydrophobicContact CB-CD1 4.28Å; Y223-V225 HydrophobicContact CD2-CG2 4.47Å; Y223-V225 HydrophobicContact CE2-CG2 4.12Å
224K97.4Very high96.3Very high90 Ų9063 Ų6339%0.39130%0.303SS..EExtended strand (participates in β ladder)trans-87.2140.6-172.8-65.3172.1167.1-149.40112.4V78 E80 E205 M259V78-K224 WeakPolarHBondContact O-CA 3.35Å; E80-K224 VanDerWaalsContact OE2-CD 3.26Å; E80-K224 WeakPolarHBondContact OE2-CD 3.28Å; E80-K224 VanDerWaalsContact OE2-CE 3.28Å; E80-K224 WeakPolarHBondContact OE2-CE 3.41Å; E80-K224 IonicContact OE2-NZ 2.75Å; E80-K224 PolarHBondContact OE2-NZ 3.28Å; E205-K224 HydrophobicContact CB-CB 4.28Å; E205-K224 WeakPolarHBondContact CB-O 3.26Å; E205-K224 PolarHBondContact N-O 3.34Å; E205-K224 PolarHBondContact OE2-N 3.12Å; K224-M259 HydrophobicContact CB-SD 4.11Å
225V98.2Very high96.1Very high0 Ų056.4 Ų56.40%029%0.291CS..EExtended strand (participates in β ladder)trans-119.196.2165.3-178.70000106.6P77 V78 V79 E80 I108 I202 I204 Y223P77-V225 HydrophobicContact CB-CG2 3.89Å; V78-V225 PolarHBondContact O-N 3.26Å; V79-V225 WeakPolarHBondContact CA-O 3.49Å; E80-V225 PolarHBondContact N-O 3.4Å; I108-V225 HydrophobicContact CD1-CG1 3.85Å; I202-V225 HydrophobicContact CG2-CG1 3.65Å; I204-V225 HydrophobicContact CG1-CG1 4.43Å; I204-V225 HydrophobicContact CG1-CG2 4.44Å; I204-V225 HydrophobicContact CG2-CG2 4.41Å; Y223-V225 HydrophobicContact CD2-CG2 4.47Å; Y223-V225 HydrophobicContact CE2-CG2 4.12Å
226K98.3Very high95.9Very high42 Ų4250.8 Ų50.818%0.18327%0.267CS..EExtended strand (participates in β ladder)trans-89.6125.2-173.3-170.3178.8178.875.80110.8E80 D81 I202 V203 L228 A255 M259E80-K226 HydrophobicContact CB-CB 4.32Å; E80-K226 HydrophobicContact CB-CG 4.25Å; E80-K226 HydrophobicContact CG-CG 4.42Å; E80-K226 IonicContact OE1-NZ 2.62Å; E80-K226 PolarHBondContact OE1-NZ 3.08Å; D81-K226 IonicContact OD2-NZ 3.43Å; D81-K226 PolarHBondContact OD2-NZ 2.82Å; I202-K226 WeakPolarHBondContact CA-O 3.25Å; V203-K226 PolarHBondContact N-O 3.39Å; V203-K226 PolarHBondContact O-N 2.99Å; K226-L228 HydrophobicContact CD-CD2 3.9Å; K226-L228 HydrophobicContact CG-CD2 4.01Å; K226-A255 HydrophobicContact CD-CB 4.48Å; K226-M259 HydrophobicContact CB-CE 4.43Å; K226-M259 HydrophobicContact CB-SD 3.89Å; K226-M259 HydrophobicContact CD-SD 4.43Å
227V98.8Very high95.7Very high0 Ų051.8 Ų51.80%028%0.276CS..EExtended strand (participates in β ladder)trans-87.2125171.6-1730000108.1V79 E80 D81 L84 L85 Q200 I202V79-V227 HydrophobicContact CG1-CG2 4.06Å; E80-V227 PolarHBondContact O-N 2.89Å; D81-V227 WeakPolarHBondContact CB-O 3.06Å; D81-V227 WeakPolarHBondContact O-CB 3.24Å; L84-V227 HydrophobicContact CB-CB 4.48Å; L84-V227 HydrophobicContact CB-CG1 3.81Å; L85-V227 HydrophobicContact CD2-CG1 3.88Å; L85-V227 HydrophobicContact CD2-CG2 3.97Å; L85-V227 HydrophobicContact CG-CG1 4.11Å; L85-V227 HydrophobicContact CG-CG2 4.08Å; Q200-V227 VanDerWaalsContact NE2-CG1 3.27Å; I202-V227 HydrophobicContact CD1-CB 4.06Å; I202-V227 HydrophobicContact CD1-CG1 3.82Å; I202-V227 HydrophobicContact CD1-CG2 3.83Å
228L98.6Very high95.3Very high12 Ų1255.7 Ų55.76%0.06329%0.291CS..PPolyproline II helixtrans-95.5161.4177.6-58.8-172.3000111.2Q200 P201 V203 K226 K230 R251 M252 A255Q200-L228 PolarHBondContact NE2-O 2.67Å; P201-L228 HydrophobicContact CB-CB 4.08Å; P201-L228 HydrophobicContact CB-CD1 4.17Å; P201-L228 HydrophobicContact CB-CG 4.44Å; P201-L228 HydrophobicContact CG-CB 4.32Å; P201-L228 PolarHBondContact O-N 3.03Å; V203-L228 HydrophobicContact CG2-CD1 3.75Å; V203-L228 HydrophobicContact CG2-CG 4.19Å; K226-L228 HydrophobicContact CD-CD2 3.9Å; K226-L228 HydrophobicContact CG-CD2 4.01Å; L228-K230 PolarHBondContact O-N 2.74Å; L228-R251 HydrophobicContact CD1-CB 4.25Å; L228-M252 HydrophobicContact CD1-CG 4.2Å; L228-A255 HydrophobicContact CD1-CB 4.01Å; L228-A255 HydrophobicContact CD2-CB 3.84Å
229P98.3Very high95Very high75 Ų7560.4 Ų60.449%0.48732%0.324SS..PPolyproline II helixtrans-55.4130.3171.3-2635.1000111.4L84L84-P229 HydrophobicContact CD1-CG 4.21Å
230K97.1Very high94.8Very high91 Ų9157.6 Ų57.640%0.39631%0.313SS..PPolyproline II helixtrans-59.5153.1177.673.8-174.8180-170.80111.7E88 P198 I199 L228E88-K230 IonicContact OE1-NZ 2.76Å; E88-K230 PolarHBondContact OE1-NZ 3.24Å; E88-K230 IonicContact OE2-NZ 3.71Å; P198-K230 HydrophobicContact CB-CD 4.36Å; I199-K230 CarbonylContact O-C 3.54Å; I199-K230 VanDerWaalsContact O-CA 3.32Å; I199-K230 WeakPolarHBondContact O-CA 3.47Å; L228-K230 PolarHBondContact O-N 2.74Å
231I96.9Very high94.6Very high6 Ų652.6 Ų52.63%0.03129%0.286CS..BIsolated β-bridgetrans-109.1114.6173.7-54.3164.3000107.2P198 I199 P201 L244 E247 T248P198-I231 CarbonylContact C-O 3.52Å; P198-I231 VanDerWaalsContact CA-O 3.27Å; P198-I231 WeakPolarHBondContact CA-O 3.31Å; P198-I231 WeakPolarHBondContact CB-O 3.36Å; I199-I231 HydrophobicContact CB-CB 4.36Å; I199-I231 PolarHBondContact N-O 2.88Å; I199-I231 PolarHBondContact O-N 3.17Å; P201-I231 HydrophobicContact CG-CD1 4.3Å; I231-L244 HydrophobicContact CB-CD1 4.26Å; I231-L244 HydrophobicContact CG2-CD1 3.55Å; I231-E247 HydrophobicContact CD1-CG 4.25Å; I231-T248 HydrophobicContact CD1-CG2 4.45Å; I231-T248 VanDerWaalsContact CD1-OG1 3.23Å; I231-T248 WeakPolarHBondContact CD1-OG1 3.48Å
232D94.4Very high94.5Very high73 Ų7356.1 Ų56.139%0.3930%0.303SS..  trans-72.3137.9176.4-160.3-18.3000109.6K234 M236D232-K234 WeakPolarHBondContact OD1-CB 3.37Å; D232-K234 VanDerWaalsContact OD1-CG 3.22Å; D232-K234 WeakPolarHBondContact OD1-CG 3.46Å; D232-K234 PolarHBondContact OD1-N 2.93Å; D232-K234 WeakPolarHBondContact OD2-CD 3.42Å; D232-K234 IonicContact OD2-NZ 2.67Å; D232-M236 WeakPolarHBondContact O-CE 3.1Å
233T93.6Very high94.4Very high1 Ų156.5 Ų56.51%0.00630%0.298CS..  trans-110.93.7178.861.50000112A190 K196 F197 I199 G235 M236 L244A190-T233 HydrophobicContact CB-CG2 4.18Å; K196-T233 VanDerWaalsContact CA-OG1 3.31Å; K196-T233 WeakPolarHBondContact CA-OG1 3.49Å; K196-T233 PolarHBondContact O-OG1 2.75Å; F197-T233 VanDerWaalsContact C-OG1 3.26Å; F197-T233 PolarHBondContact N-OG1 3.47Å; F197-T233 VanDerWaalsContact O-CG2 3.32Å; F197-T233 WeakPolarHBondContact O-CG2 3.31Å; F197-T233 PolarHBondContact O-OG1 3.28Å; I199-T233 HydrophobicContact CG1-CG2 4.42Å; T233-G235 PolarHBondContact O-N 3.15Å; T233-M236 HydrophobicContact CG2-SD 4.19Å; T233-M236 WeakPolarHBondContact O-CB 3.38Å; T233-M236 PolarHBondContact O-N 2.99Å; T233-L244 HydrophobicContact CG2-CD1 4.12Å; T233-L244 HydrophobicContact CG2-CD2 3.69Å
234K90Very high94.4Very high154 Ų15456.4 Ų56.467%0.6730%0.297SS*.THydrogen-bonded Turntrans-57126.9174.2-75.2173.1-164.6160.70110.9K196 D232 M236K196-K234 HydrophobicContact CB-CG 4.34Å; D232-K234 WeakPolarHBondContact OD1-CB 3.37Å; D232-K234 VanDerWaalsContact OD1-CG 3.22Å; D232-K234 WeakPolarHBondContact OD1-CG 3.46Å; D232-K234 PolarHBondContact OD1-N 2.93Å; D232-K234 WeakPolarHBondContact OD2-CD 3.42Å; D232-K234 IonicContact OD2-NZ 2.67Å; K234-M236 PolarHBondContact O-N 2.76Å
235G88.4Confident94.4Very high57 Ų5753.3 Ų53.359%0.58829%0.285SS*.THydrogen-bonded Turntrans86-12.5-179.600000114T233T233-G235 PolarHBondContact O-N 3.15Å
236M91.7Very high94.4Very high33 Ų3355.9 Ų55.916%0.16330%0.303CS..  trans-70.5148.9175.4-63.8-175.3178.100111.8I191 D232 T233 K234 Q240 L244I191-M236 HydrophobicContact CD1-CB 4.39Å; I191-M236 HydrophobicContact CG1-CB 4.24Å; D232-M236 WeakPolarHBondContact O-CE 3.1Å; T233-M236 HydrophobicContact CG2-SD 4.19Å; T233-M236 WeakPolarHBondContact O-CB 3.38Å; T233-M236 PolarHBondContact O-N 2.99Å; K234-M236 PolarHBondContact O-N 2.76Å; M236-Q240 VanDerWaalsContact CA-OE1 3.26Å; M236-Q240 HydrophobicContact CB-CB 4.48Å; M236-L244 HydrophobicContact CE-CD1 4.37Å; M236-L244 HydrophobicContact SD-CB 4.4Å; M236-L244 HydrophobicContact SD-CD1 4.18Å; M236-L244 HydrophobicContact SD-CD2 4.39Å
237N90.2Very high94.3Very high85 Ų8556.2 Ų56.246%0.45531%0.305SS..  trans-126.3176.7174.573.470.6000111.5I191 S239 Q240I191-N237 VanDerWaalsContact CG2-C 3.44Å; N237-S239 PolarHBondContact O-N 2.75Å; N237-S239 VanDerWaalsContact O-N 3.08Å; N237-S239 WeakPolarHBondContact OD1-CB 3.32Å; N237-S239 PolarHBondContact OD1-N 3.41Å; N237-S239 PolarHBondContact OD1-OG 2.81Å; N237-Q240 VanDerWaalsContact N-OE1 3.16Å; N237-Q240 PolarHBondContact ND2-OE1 3.21Å; N237-Q240 PolarHBondContact O-N 3.24Å
238K87.5Confident94.3Very high119 Ų11956.2 Ų56.252%0.51731%0.305SS..G310 helixtrans-57.6-26.6-172.8-63.6-168.3-172.8-154.60113.9E192 Q240 V241E192-K238 WeakPolarHBondContact OE1-CE 3.13Å; E192-K238 IonicContact OE1-NZ 2.74Å; E192-K238 PolarHBondContact OE1-NZ 2.69Å; E192-K238 WeakPolarHBondContact OE2-CE 3.18Å; E192-K238 IonicContact OE2-NZ 3.82Å; E192-K238 PolarHBondContact OE2-NZ 3.22Å; K238-Q240 PolarHBondContact O-N 3.45Å; K238-V241 VanDerWaalsContact O-CG2 3.26Å; K238-V241 WeakPolarHBondContact O-CG2 3.07Å; K238-V241 PolarHBondContact O-N 2.88Å
239S91.1Very high94.3Very high98 Ų9859.5 Ų59.569%0.68532%0.317SS*.G310 helixtrans-69.3-17.2177.172.80000113.4N237N237-S239 PolarHBondContact O-N 2.75Å; N237-S239 VanDerWaalsContact O-N 3.08Å; N237-S239 WeakPolarHBondContact OD1-CB 3.32Å; N237-S239 PolarHBondContact OD1-N 3.41Å; N237-S239 PolarHBondContact OD1-OG 2.81Å
240Q92.7Very high94.3Very high49 Ų4961.6 Ų61.623%0.22932%0.32CS..G310 helixtrans-97.44.4-177.8-62.5175.2-88.400113.5M236 N237 K238 D242 Q243 L244M236-Q240 VanDerWaalsContact CA-OE1 3.26Å; M236-Q240 HydrophobicContact CB-CB 4.48Å; N237-Q240 VanDerWaalsContact N-OE1 3.16Å; N237-Q240 PolarHBondContact ND2-OE1 3.21Å; N237-Q240 PolarHBondContact O-N 3.24Å; K238-Q240 PolarHBondContact O-N 3.45Å; Q240-D242 VanDerWaalsContact C-N 3.27Å; Q240-D242 PolarHBondContact O-N 3.47Å; Q240-Q243 PolarHBondContact O-N 3.32Å; Q240-L244 PolarHBondContact O-N 3.47Å
241V92.1Very high94.4Very high4 Ų461.7 Ų61.72%0.02432%0.318CS..Hα-helixtrans-55.5-42.9178168.60000111.6K184 F187 I191 K238 L244 L245K184-V241 HydrophobicContact CB-CG1 4.38Å; K184-V241 HydrophobicContact CD-CG1 4.47Å; F187-V241 HydrophobicContact CB-CG1 3.93Å; I191-V241 HydrophobicContact CD1-CB 4.26Å; I191-V241 HydrophobicContact CD1-CG2 3.58Å; K238-V241 VanDerWaalsContact O-CG2 3.26Å; K238-V241 WeakPolarHBondContact O-CG2 3.07Å; K238-V241 PolarHBondContact O-N 2.88Å; V241-L244 PolarHBondContact O-N 3.48Å; V241-L245 WeakPolarHBondContact O-CB 3.38Å; V241-L245 PolarHBondContact O-N 3.35Å
242D95.3Very high94.4Very high86 Ų8661.4 Ų61.446%0.4632%0.316SS..Hα-helixtrans-72-36-178.1-72.6-25.5000112.4K184 Q240 L245 S246K184-D242 WeakPolarHBondContact CD-OD1 3.43Å; K184-D242 WeakPolarHBondContact CE-OD1 3.36Å; K184-D242 IonicContact NZ-OD1 3.97Å; K184-D242 PolarHBondContact NZ-OD1 3Å; K184-D242 IonicContact NZ-OD2 3.47Å; K184-D242 PolarHBondContact NZ-OD2 3.47Å; Q240-D242 VanDerWaalsContact C-N 3.27Å; Q240-D242 PolarHBondContact O-N 3.47Å; D242-L245 PolarHBondContact O-N 2.91Å; D242-S246 PolarHBondContact O-N 3.16Å
243Q96.2Very high94.5Very high109 Ų10959.9 Ų59.951%0.50931%0.31SS..Hα-helixtrans-62-50.2172.2-178.5-172.4-6.600110.8Q240 L245 S246 E247Q240-Q243 PolarHBondContact O-N 3.32Å; Q243-L245 VanDerWaalsContact C-N 3.28Å; Q243-L245 PolarHBondContact O-N 3.17Å; Q243-S246 PolarHBondContact O-N 2.75Å; Q243-E247 WeakPolarHBondContact O-CB 3.21Å; Q243-E247 PolarHBondContact O-N 2.91Å
244L96Very high94.7Very high0 Ų062.2 Ų62.20%033%0.329CS..Hα-helixtrans-60.4-39.2179.5-179.764000111.6F187 A190 I191 I199 I231 T233 M236 Q240 V241 T248F187-L244 HydrophobicContact CB-CD2 4.35Å; F187-L244 HydrophobicContact CD1-CB 4.49Å; F187-L244 HydrophobicContact CD1-CD2 4.05Å; F187-L244 HydrophobicContact CD1-CG 3.83Å; A190-L244 HydrophobicContact CB-CD2 4.09Å; I191-L244 HydrophobicContact CD1-CD2 3.89Å; I191-L244 HydrophobicContact CG1-CD2 4.12Å; I199-L244 HydrophobicContact CG1-CD1 4.1Å; I199-L244 HydrophobicContact CG1-CD2 4.05Å; I199-L244 HydrophobicContact CG1-CG 4.27Å; I231-L244 HydrophobicContact CB-CD1 4.26Å; I231-L244 HydrophobicContact CG2-CD1 3.55Å; T233-L244 HydrophobicContact CG2-CD1 4.12Å; T233-L244 HydrophobicContact CG2-CD2 3.69Å; M236-L244 HydrophobicContact CE-CD1 4.37Å; M236-L244 HydrophobicContact SD-CB 4.4Å; M236-L244 HydrophobicContact SD-CD1 4.18Å; M236-L244 HydrophobicContact SD-CD2 4.39Å; Q240-L244 PolarHBondContact O-N 3.47Å; V241-L244 PolarHBondContact O-N 3.48Å; L244-T248 VanDerWaalsContact O-CB 3.27Å; L244-T248 WeakPolarHBondContact O-CB 3.39Å; L244-T248 PolarHBondContact O-N 2.9Å; L244-T248 PolarHBondContact O-OG1 3.5Å
245L96.6Very high95Very high26 Ų2655.2 Ų55.214%0.13630%0.3CS..Hα-helixtrans-62.2-51174.7-177.7160.1000111.5F182 K184 F187 V241 D242 Q243 T248 R249F182-L245 HydrophobicContact CB-CD1 4.34Å; F182-L245 HydrophobicContact CB-CD2 4.18Å; F182-L245 HydrophobicContact CB-CG 4.12Å; K184-L245 HydrophobicContact CB-CD1 4.5Å; K184-L245 HydrophobicContact CG-CD1 3.92Å; F187-L245 HydrophobicContact CD1-CB 4.32Å; F187-L245 HydrophobicContact CD2-CB 3.67Å; F187-L245 HydrophobicContact CD2-CD1 3.72Å; F187-L245 HydrophobicContact CD2-CG 3.72Å; F187-L245 HydrophobicContact CE1-CB 4.44Å; F187-L245 HydrophobicContact CE2-CB 3.83Å; F187-L245 HydrophobicContact CE2-CD1 3.82Å; F187-L245 HydrophobicContact CE2-CG 3.51Å; F187-L245 HydrophobicContact CG-CB 3.92Å; F187-L245 HydrophobicContact CG-CG 4.46Å; F187-L245 HydrophobicContact CZ-CB 4.21Å; F187-L245 HydrophobicContact CZ-CG 4.11Å; V241-L245 WeakPolarHBondContact O-CB 3.38Å; V241-L245 PolarHBondContact O-N 3.35Å; D242-L245 PolarHBondContact O-N 2.91Å; Q243-L245 VanDerWaalsContact C-N 3.28Å; Q243-L245 PolarHBondContact O-N 3.17Å; L245-T248 PolarHBondContact O-N 3.28Å; L245-R249 WeakPolarHBondContact O-CB 3.41Å; L245-R249 PolarHBondContact O-N 2.91Å
246S97.7Very high95.3Very high53 Ų5352.6 Ų52.637%0.37127%0.273SS..Hα-helixtrans-61.5-49.8-177.8-156.30000110.8D242 Q243 T248 R249 E250D242-S246 PolarHBondContact O-N 3.16Å; Q243-S246 PolarHBondContact O-N 2.75Å; S246-T248 VanDerWaalsContact C-N 3.34Å; S246-T248 PolarHBondContact O-N 3.43Å; S246-R249 PolarHBondContact O-N 3.38Å; S246-R249 VanDerWaalsContact O-N 3.14Å; S246-E250 WeakPolarHBondContact O-CB 2.94Å; S246-E250 VanDerWaalsContact O-CG 3.32Å; S246-E250 WeakPolarHBondContact O-CG 3.36Å; S246-E250 PolarHBondContact O-N 2.88Å; S246-E250 PolarHBondContact OG-OE1 2.85Å
247E98.1Very high95.4Very high49 Ų4954.6 Ų54.623%0.22928%0.281CS..Hα-helixtrans-57.3-46.9178.9-179.2-177.617500111.6I231 Q243 R249 E250 R251I231-E247 HydrophobicContact CD1-CG 4.25Å; Q243-E247 WeakPolarHBondContact O-CB 3.21Å; Q243-E247 PolarHBondContact O-N 2.91Å; E247-R249 PolarHBondContact O-N 3.26Å; E247-E250 PolarHBondContact O-N 3.45Å; E247-R251 WeakPolarHBondContact O-CG 3.39Å; E247-R251 PolarHBondContact O-N 3.35Å; E247-R251 VanDerWaalsContact O-N 3.11Å; E247-R251 IonicContact OE1-CZ 2.72Å; E247-R251 VanDerWaalsContact OE1-CZ 3.27Å; E247-R251 IonicContact OE1-NE 2.89Å; E247-R251 PolarHBondContact OE1-NE 3.27Å; E247-R251 IonicContact OE1-NH2 3.97Å; E247-R251 PolarHBondContact OE1-NH2 3.32Å
248T98.4Very high95.5Very high0 Ų057.8 Ų57.80%030%0.296CS..Hα-helixtrans-60.8-46.5177.6-58.70000111.1V93 F182 F187 I199 P201 I231 L244 L245 S246 M252V93-T248 HydrophobicContact CG2-CG2 3.72Å; F182-T248 HydrophobicContact CE2-CG2 4.33Å; F187-T248 HydrophobicContact CE1-CG2 3.92Å; F187-T248 WeakPolarHBondContact CE1-OG1 3.36Å; F187-T248 HydrophobicContact CZ-CG2 4.14Å; I199-T248 HydrophobicContact CG2-CG2 3.91Å; P201-T248 HydrophobicContact CB-CG2 4.48Å; P201-T248 HydrophobicContact CG-CG2 4.36Å; I231-T248 HydrophobicContact CD1-CG2 4.45Å; I231-T248 VanDerWaalsContact CD1-OG1 3.23Å; I231-T248 WeakPolarHBondContact CD1-OG1 3.48Å; L244-T248 VanDerWaalsContact O-CB 3.27Å; L244-T248 WeakPolarHBondContact O-CB 3.39Å; L244-T248 PolarHBondContact O-N 2.9Å; L244-T248 PolarHBondContact O-OG1 3.5Å; L245-T248 PolarHBondContact O-N 3.28Å; S246-T248 VanDerWaalsContact C-N 3.34Å; S246-T248 PolarHBondContact O-N 3.43Å; T248-M252 HydrophobicContact CG2-SD 4Å; T248-M252 VanDerWaalsContact O-CG 3.29Å; T248-M252 WeakPolarHBondContact O-CG 3.35Å; T248-M252 PolarHBondContact O-N 2.89Å; T248-M252 VanDerWaalsContact O-N 3.09Å
249R98.2Very high95.8Very high82 Ų8252.9 Ų52.931%0.30928%0.275SS..Hα-helixtrans-65.9-43.8-178.7-173.8174.1177.5-84.5-4.8111.5L179 L180 F182 L245 S246 E247 M252 V253L179-R249 PolarHBondContact O-NH2 2.98Å; L179-R249 VanDerWaalsContact O-NH2 3.08Å; L180-R249 PolarHBondContact O-NE 2.86Å; L180-R249 VanDerWaalsContact O-NE 3.17Å; F182-R249 HydrophobicContact CD1-CG 4.37Å; F182-R249 HydrophobicContact CD2-CB 3.7Å; F182-R249 HydrophobicContact CD2-CG 4.09Å; F182-R249 HydrophobicContact CE1-CG 4.29Å; F182-R249 HydrophobicContact CE2-CB 3.74Å; F182-R249 HydrophobicContact CE2-CG 4.03Å; F182-R249 HydrophobicContact CG-CB 4.29Å; F182-R249 HydrophobicContact CG-CG 4.27Å; F182-R249 HydrophobicContact CZ-CB 4.34Å; F182-R249 HydrophobicContact CZ-CG 4.13Å; L245-R249 WeakPolarHBondContact O-CB 3.41Å; L245-R249 PolarHBondContact O-N 2.91Å; S246-R249 PolarHBondContact O-N 3.38Å; S246-R249 VanDerWaalsContact O-N 3.14Å; E247-R249 PolarHBondContact O-N 3.26Å; R249-M252 PolarHBondContact O-N 3.46Å; R249-V253 HydrophobicContact CG-CG2 4.07Å; R249-V253 WeakPolarHBondContact O-CB 3.49Å; R249-V253 VanDerWaalsContact O-CG2 3.27Å; R249-V253 WeakPolarHBondContact O-CG2 3.01Å; R249-V253 PolarHBondContact O-N 3.35Å
250E98Very high95.5Very high118 Ų11849.7 Ų49.755%0.55125%0.248SC*.Hα-helixtrans-59.2-47.6178.8-75.5165.1-147.800111.6S246 E247 M252 V253 A254S246-E250 WeakPolarHBondContact O-CB 2.94Å; S246-E250 VanDerWaalsContact O-CG 3.32Å; S246-E250 WeakPolarHBondContact O-CG 3.36Å; S246-E250 PolarHBondContact O-N 2.88Å; S246-E250 PolarHBondContact OG-OE1 2.85Å; E247-E250 PolarHBondContact O-N 3.45Å; E250-M252 VanDerWaalsContact C-N 3.33Å; E250-M252 PolarHBondContact O-N 3.38Å; E250-V253 PolarHBondContact O-N 2.91Å; E250-A254 WeakPolarHBondContact O-CB 3.35Å; E250-A254 PolarHBondContact O-N 2.92Å
251R98.4Very high94.6Very high93 Ų9348.9 Ų48.935%0.35125%0.253SS..Hα-helixtrans-59.2-43.5175.3-68.7178.3-173.7-148.70.6111.9L228 E247 A255L228-R251 HydrophobicContact CD1-CB 4.25Å; E247-R251 WeakPolarHBondContact O-CG 3.39Å; E247-R251 PolarHBondContact O-N 3.35Å; E247-R251 VanDerWaalsContact O-N 3.11Å; E247-R251 IonicContact OE1-CZ 2.72Å; E247-R251 VanDerWaalsContact OE1-CZ 3.27Å; E247-R251 IonicContact OE1-NE 2.89Å; E247-R251 PolarHBondContact OE1-NE 3.27Å; E247-R251 IonicContact OE1-NH2 3.97Å; E247-R251 PolarHBondContact OE1-NH2 3.32Å; R251-A255 PolarHBondContact O-N 2.71Å; R251-A255 VanDerWaalsContact O-N 3.16Å
252M98.2Very high93.4Very high0 Ų054.7 Ų54.70%029%0.291CS..Hα-helixtrans-69-41179.6-71.4179.567.700112.8V93 N95 L179 F182 P201 V203 L228 T248 R249 E250 A255 F256V93-M252 HydrophobicContact CG2-SD 3.93Å; N95-M252 HydrophobicContact CB-CE 4.48Å; L179-M252 HydrophobicContact CD2-CB 3.91Å; L179-M252 HydrophobicContact CD2-CE 4.49Å; F182-M252 HydrophobicContact CE2-CE 4.44Å; F182-M252 HydrophobicContact CE2-SD 3.63Å; F182-M252 HydrophobicContact CZ-CB 4.44Å; F182-M252 HydrophobicContact CZ-CE 3.86Å; F182-M252 HydrophobicContact CZ-SD 3.62Å; P201-M252 HydrophobicContact CB-CG 3.82Å; P201-M252 HydrophobicContact CB-SD 4.06Å; V203-M252 HydrophobicContact CG2-CB 3.89Å; V203-M252 HydrophobicContact CG2-CE 4.32Å; V203-M252 HydrophobicContact CG2-CG 3.83Å; L228-M252 HydrophobicContact CD1-CG 4.2Å; T248-M252 HydrophobicContact CG2-SD 4Å; T248-M252 VanDerWaalsContact O-CG 3.29Å; T248-M252 WeakPolarHBondContact O-CG 3.35Å; T248-M252 PolarHBondContact O-N 2.89Å; T248-M252 VanDerWaalsContact O-N 3.09Å; R249-M252 PolarHBondContact O-N 3.46Å; E250-M252 VanDerWaalsContact C-N 3.33Å; E250-M252 PolarHBondContact O-N 3.38Å; M252-A255 PolarHBondContact O-N 3.42Å; M252-F256 VanDerWaalsContact O-CB 3.31Å; M252-F256 WeakPolarHBondContact O-CB 3.43Å; M252-F256 PolarHBondContact O-N 2.86Å
253V96.8Very high91.4Very high42 Ų4254.8 Ų54.826%0.25530%0.295SS..Hα-helixtrans-63.4-47.1176.5167.40000110.4L179 R249 E250 A255 F256 E257L179-V253 HydrophobicContact CB-CG2 4.15Å; L179-V253 HydrophobicContact CD2-CG2 4.11Å; R249-V253 HydrophobicContact CG-CG2 4.07Å; R249-V253 WeakPolarHBondContact O-CB 3.49Å; R249-V253 VanDerWaalsContact O-CG2 3.27Å; R249-V253 WeakPolarHBondContact O-CG2 3.01Å; R249-V253 PolarHBondContact O-N 3.35Å; E250-V253 PolarHBondContact O-N 2.91Å; V253-A255 VanDerWaalsContact C-N 3.33Å; V253-A255 PolarHBondContact O-N 3.43Å; V253-F256 PolarHBondContact O-N 3.1Å; V253-E257 HydrophobicContact CG1-CG 4.39Å; V253-E257 PolarHBondContact O-N 3.3Å
254A96.6Very high88.9Confident49 Ų4955.2 Ų55.241%0.40531%0.31SS..Hα-helixtrans-57-46.8177.700000111.5E250 M258E250-A254 WeakPolarHBondContact O-CB 3.35Å; E250-A254 PolarHBondContact O-N 2.92Å; A254-M258 VanDerWaalsContact O-CG 3.28Å; A254-M258 WeakPolarHBondContact O-CG 3.45Å; A254-M258 PolarHBondContact O-N 3.33Å; A254-M258 VanDerWaalsContact O-N 3.11Å
255A96.6Very high86Confident8 Ų865.7 Ų65.77%0.06637%0.366CS..Hα-helixtrans-65.8-39.9176.400000112.9V203 K226 L228 R251 M252 V253 M258 M259V203-A255 HydrophobicContact CB-CB 4.44Å; V203-A255 HydrophobicContact CG2-CB 4.05Å; K226-A255 HydrophobicContact CD-CB 4.48Å; L228-A255 HydrophobicContact CD1-CB 4.01Å; L228-A255 HydrophobicContact CD2-CB 3.84Å; R251-A255 PolarHBondContact O-N 2.71Å; R251-A255 VanDerWaalsContact O-N 3.16Å; M252-A255 PolarHBondContact O-N 3.42Å; V253-A255 VanDerWaalsContact C-N 3.33Å; V253-A255 PolarHBondContact O-N 3.43Å; A255-M258 PolarHBondContact O-N 3.02Å; A255-M259 VanDerWaalsContact O-CG 3.31Å; A255-M259 WeakPolarHBondContact O-CG 3.42Å; A255-M259 PolarHBondContact O-N 3.16Å
256F95.3Very high85.4Confident2 Ų267.7 Ų67.71%0.00938%0.378CS..Hα-helixtrans-64.6-44.2179.3-169.7-100.3000112.1N95 V177 L179 V203 I204 P206 M252 V253 M259 K260N95-F256 WeakPolarHBondContact ND2-CE2 3.34Å; V177-F256 WeakPolarHBondContact O-CE1 3.48Å; L179-F256 HydrophobicContact CD1-CB 3.64Å; L179-F256 HydrophobicContact CD1-CD1 3.3Å; L179-F256 HydrophobicContact CD1-CD2 3.46Å; L179-F256 VanDerWaalsContact CD1-CD2 3.46Å; L179-F256 HydrophobicContact CD1-CE1 3.61Å; L179-F256 HydrophobicContact CD1-CE2 3.79Å; L179-F256 HydrophobicContact CD1-CG 3.18Å; L179-F256 HydrophobicContact CD1-CZ 3.83Å; V203-F256 HydrophobicContact CG1-CB 3.77Å; V203-F256 HydrophobicContact CG1-CD2 3.72Å; V203-F256 HydrophobicContact CG1-CG 4.25Å; I204-F256 WeakPolarHBondContact O-CD2 3.24Å; I204-F256 WeakPolarHBondContact O-CE2 3.16Å; P206-F256 HydrophobicContact CB-CE1 4.24Å; P206-F256 HydrophobicContact CB-CE2 4.13Å; P206-F256 HydrophobicContact CB-CZ 3.71Å; P206-F256 HydrophobicContact CG-CD1 4.13Å; P206-F256 HydrophobicContact CG-CD2 4.13Å; P206-F256 HydrophobicContact CG-CE1 3.67Å; P206-F256 HydrophobicContact CG-CE2 3.65Å; P206-F256 HydrophobicContact CG-CG 4.37Å; P206-F256 HydrophobicContact CG-CZ 3.44Å; P206-F256 VanDerWaalsContact CG-CZ 3.44Å; M252-F256 VanDerWaalsContact O-CB 3.31Å; M252-F256 WeakPolarHBondContact O-CB 3.43Å; M252-F256 PolarHBondContact O-N 2.86Å; V253-F256 PolarHBondContact O-N 3.1Å; F256-M259 PolarHBondContact O-N 3.32Å; F256-K260 PolarHBondContact O-N 3.17Å
257E93.4Very high84.8Confident74 Ų7468.5 Ų68.535%0.34638%0.378SS..Hα-helixtrans-65.3-39.3176.3-70-56.4138.700111.8N178 V253 M259 K260N178-E257 PolarHBondContact OD1-OE1 3.46Å; V253-E257 HydrophobicContact CG1-CG 4.39Å; V253-E257 PolarHBondContact O-N 3.3Å; E257-M259 VanDerWaalsContact C-N 3.31Å; E257-M259 PolarHBondContact O-N 2.91Å; E257-K260 WeakPolarHBondContact O-CB 3.38Å; E257-K260 PolarHBondContact O-N 3.37Å; E257-K260 IonicContact OE1-NZ 2.72Å; E257-K260 PolarHBondContact OE1-NZ 2.88Å; E257-K260 WeakPolarHBondContact OE2-CD 3.4Å; E257-K260 IonicContact OE2-NZ 3.55Å; E257-K260 PolarHBondContact OE2-NZ 3.31Å
258M93.4Very high84Confident153 Ų15369.6 Ų69.675%0.75439%0.386SS*.Hα-helixtrans-61.2-40.3173.2-71.8176.9-171.700112.1A254 A255 G261A254-M258 VanDerWaalsContact O-CG 3.28Å; A254-M258 WeakPolarHBondContact O-CG 3.45Å; A254-M258 PolarHBondContact O-N 3.33Å; A254-M258 VanDerWaalsContact O-N 3.11Å; A255-M258 PolarHBondContact O-N 3.02Å; M258-G261 PolarHBondContact O-N 2.76Å
259M92.7Very high83.2Confident16 Ų1673.6 Ų73.68%0.07941%0.409CS..Hα-helixtrans-74.5-24.8179.9-71.4-171.1-62.900113.6V203 E205 K209 K224 K226 A255 F256 E257 G261V203-M259 HydrophobicContact CB-CE 3.54Å; V203-M259 HydrophobicContact CG1-CE 3.18Å; E205-M259 HydrophobicContact CB-SD 4.38Å; E205-M259 HydrophobicContact CG-CB 4.21Å; K209-M259 PolarHBondContact NZ-O 3.16Å; K224-M259 HydrophobicContact CB-SD 4.11Å; K226-M259 HydrophobicContact CB-CE 4.43Å; K226-M259 HydrophobicContact CB-SD 3.89Å; K226-M259 HydrophobicContact CD-SD 4.43Å; A255-M259 VanDerWaalsContact O-CG 3.31Å; A255-M259 WeakPolarHBondContact O-CG 3.42Å; A255-M259 PolarHBondContact O-N 3.16Å; F256-M259 PolarHBondContact O-N 3.32Å; E257-M259 VanDerWaalsContact C-N 3.31Å; E257-M259 PolarHBondContact O-N 2.91Å; M259-G261 PolarHBondContact O-N 2.85Å
260K84.3Confident82.3Confident30 Ų3073.1 Ų73.113%0.1342%0.415CS..Hα-helixtrans-58.1-30.4174.6-171.8165154.4-171.30112.1V177 N178 P206 K209 F256 E257V177-K260 HydrophobicContact CB-CD 4.34Å; V177-K260 HydrophobicContact CG1-CD 3.9Å; V177-K260 HydrophobicContact CG1-CG 4.41Å; V177-K260 PolarHBondContact O-NZ 3.26Å; N178-K260 PolarHBondContact OD1-NZ 2.96Å; P206-K260 HydrophobicContact CG-CB 4.01Å; P206-K260 HydrophobicContact CG-CG 4.36Å; K209-K260 WeakPolarHBondContact CE-O 3.32Å; K209-K260 PolarHBondContact NZ-O 3.26Å; F256-K260 PolarHBondContact O-N 3.17Å; E257-K260 WeakPolarHBondContact O-CB 3.38Å; E257-K260 PolarHBondContact O-N 3.37Å; E257-K260 IonicContact OE1-NZ 2.72Å; E257-K260 PolarHBondContact OE1-NZ 2.88Å; E257-K260 WeakPolarHBondContact OE2-CD 3.4Å; E257-K260 IonicContact OE2-NZ 3.55Å; E257-K260 PolarHBondContact OE2-NZ 3.31Å
261G74.7Confident81.2Confident32 Ų3270.1 Ų70.133%0.3341%0.406SS..  trans70.4179.6-171.800000111.2M258 M259 T263M258-G261 PolarHBondContact O-N 2.76Å; M259-G261 PolarHBondContact O-N 2.85Å; G261-T263 PolarHBondContact O-N 2.88Å; G261-T263 VanDerWaalsContact O-N 3.16Å
262P66.1Low80Confident127 Ų12768.5 Ų68.583%0.82541%0.41SS*.SBendtrans-55.7126.1171.824.4-32.7000108.3S264P262-S264 PolarHBondContact O-N 2.8Å
263T54.5Low78.6Confident87 Ų8773.8 Ų73.853%0.53444%0.442SS..  trans-54.8110.3171.136.10000107.3G261 N265G261-T263 PolarHBondContact O-N 2.88Å; G261-T263 VanDerWaalsContact O-N 3.16Å; T263-N265 PolarHBondContact O-N 3.48Å
264S43.4Very low77.1Confident119 Ų11976.4 Ų76.483%0.83246%0.457SS*.  trans-65.493.6167.157.70000106.4P262P262-S264 PolarHBondContact O-N 2.8Å
265N34Very low75.3Confident220 Ų22078.9 Ų78.9100%1.17646%0.462SS*.  trans-61.70163-73.8-18.8000109.2T263T263-N265 PolarHBondContact O-N 3.48Å

Retrieved 265 of 265 residues in 589.5 ms (Link to these results)

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