A0A087YB56_POEFO Loading...

D-aspartate oxidase

Selectively catalyzes the oxidative deamination of acidic amino acids. Suppresses the level of D-aspartate in the brain, an amino acid that can act as an agonist for glutamate receptors. Protects the organism from the toxicity of D-amino acids. May also function in the intestine.

AlphaFold DB , UniProt , Accession A0A087YB56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 335 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.1Very low88.8Confident246 Ų24646 Ų46100%1.21227%0.266SS*.  0118.90-76.3179.4-10000106.6G3M1-G3 PolarHBondContact O-N 3.39Å
2T62.3Low89.6Confident139 Ų13943.7 Ų43.785%0.85326%0.259SS*.PPolyproline II helixtrans-66.812317642.90000108.1
3G85.9Confident90.3Very high32 Ų3240.5 Ų40.533%0.3324%0.24SC..PPolyproline II helixtrans-61.4164.3178.100000112.3M1 Q5 V28M1-G3 PolarHBondContact O-N 3.39Å; G3-Q5 PolarHBondContact O-N 3.48Å; G3-Q5 PolarHBondContact O-NE2 3.04Å; G3-V28 CarbonylContact C-O 3.56Å; G3-V28 WeakPolarHBondContact CA-O 3.44Å
4V94.8Very high90.9Very high22 Ų2238.6 Ų38.613%0.13323%0.229CC..EExtended strand (participates in β ladder)trans-63.6124.7178.9-179.50000109.6V6 V28 C29 S30 D174 L327 M330V4-V6 HydrophobicContact CG1-CG2 4.36Å; V4-V6 PolarHBondContact O-N 3.48Å; V4-V28 PolarHBondContact N-O 3.42Å; V4-C29 CarbonylContact O-C 3.57Å; V4-C29 VanDerWaalsContact O-CA 3.3Å; V4-C29 WeakPolarHBondContact O-CA 3.36Å; V4-S30 PolarHBondContact O-N 2.83Å; V4-D174 HydrophobicContact CG1-CB 3.67Å; V4-L327 HydrophobicContact CB-CD2 4.03Å; V4-L327 HydrophobicContact CG1-CD2 3.68Å; V4-L327 HydrophobicContact CG2-CD2 3.94Å; V4-M330 HydrophobicContact CG1-CE 4.28Å; V4-M330 HydrophobicContact CG1-SD 3.88Å; V4-M330 HydrophobicContact CG2-SD 4.48Å
5Q96.8Very high91.4Very high47 Ų4736.1 Ų36.122%0.2221%0.214CC..EExtended strand (participates in β ladder)trans-82.9110.8-179.2-58.6-55.5-5800110.1G3 S30 F173 D174 L175G3-Q5 PolarHBondContact O-N 3.48Å; G3-Q5 PolarHBondContact O-NE2 3.04Å; Q5-S30 PolarHBondContact OE1-OG 3.06Å; Q5-F173 HydrophobicContact CB-CD1 4.05Å; Q5-D174 PolarHBondContact N-OD2 3.2Å; Q5-D174 PolarHBondContact O-N 3.45Å; Q5-L175 PolarHBondContact O-N 3.21Å
6V98.3Very high91.9Very high0 Ų033.8 Ų33.80%020%0.201CC..EExtended strand (participates in β ladder)trans-108.8128.5179.2-178.70000109.4V4 I22 C29 S30 V31 T32 L175 V177V4-V6 HydrophobicContact CG1-CG2 4.36Å; V4-V6 PolarHBondContact O-N 3.48Å; V6-I22 HydrophobicContact CG1-CD1 4.46Å; V6-I22 HydrophobicContact CG1-CG2 4.48Å; V6-C29 HydrophobicContact CG2-CB 3.96Å; V6-S30 PolarHBondContact N-O 2.78Å; V6-V31 WeakPolarHBondContact O-CA 3.37Å; V6-T32 PolarHBondContact O-N 2.92Å; V6-L175 WeakPolarHBondContact CA-O 3.15Å; V6-L175 HydrophobicContact CG1-CD2 3.88Å; V6-L175 HydrophobicContact CG2-CB 4.34Å; V6-V177 HydrophobicContact CG1-CG2 3.95Å
7V98.6Very high92.3Very high0 Ų031.8 Ų31.80%019%0.189CC..EExtended strand (participates in β ladder)trans-107.5128.8169.961.10000111.2L9 T32 L34 L169 F173 L175 V176 V177V7-L9 HydrophobicContact CG2-CD2 3.76Å; V7-T32 CarbonylContact C-O 3.49Å; V7-T32 VanDerWaalsContact CA-O 3.27Å; V7-T32 WeakPolarHBondContact CA-O 3.3Å; V7-L34 HydrophobicContact CG2-CB 3.89Å; V7-L34 HydrophobicContact CG2-CD1 4.44Å; V7-L169 HydrophobicContact CG1-CD1 4.02Å; V7-F173 HydrophobicContact CB-CB 4.4Å; V7-F173 HydrophobicContact CB-CD1 3.57Å; V7-F173 HydrophobicContact CB-CD2 3.89Å; V7-F173 HydrophobicContact CB-CE1 3.69Å; V7-F173 HydrophobicContact CB-CE2 3.99Å; V7-F173 HydrophobicContact CB-CG 3.67Å; V7-F173 HydrophobicContact CB-CZ 3.89Å; V7-F173 HydrophobicContact CG1-CB 3.92Å; V7-F173 HydrophobicContact CG1-CD1 4.05Å; V7-F173 HydrophobicContact CG1-CD2 3.8Å; V7-F173 HydrophobicContact CG1-CE2 4.31Å; V7-F173 HydrophobicContact CG1-CG 3.63Å; V7-F173 HydrophobicContact CG2-CD2 4.49Å; V7-F173 HydrophobicContact CG2-CE1 4.32Å; V7-F173 HydrophobicContact CG2-CE2 4.18Å; V7-F173 HydrophobicContact CG2-CZ 4.08Å; V7-L175 PolarHBondContact N-O 3.39Å; V7-V176 HydrophobicContact CG1-CB 4.19Å; V7-V176 HydrophobicContact CG1-CG1 4.2Å; V7-V176 HydrophobicContact CG1-CG2 3.79Å; V7-V176 CarbonylContact O-C 3.58Å; V7-V176 WeakPolarHBondContact O-CA 3.38Å; V7-V177 PolarHBondContact O-N 2.92Å
8V98.9Very high92.7Very high0 Ų030.1 Ų30.10%018%0.179CC..EExtended strand (participates in β ladder)trans-103.4120.2170.7-1730000108.7A19 I22 V31 T32 L33 L34 V177 C179V8-A19 HydrophobicContact CB-CB 4.19Å; V8-A19 HydrophobicContact CG1-CB 4.34Å; V8-A19 HydrophobicContact CG2-CB 3.91Å; V8-I22 HydrophobicContact CG2-CD1 4.25Å; V8-V31 HydrophobicContact CG2-CG1 3.89Å; V8-T32 PolarHBondContact N-O 3.36Å; V8-L33 WeakPolarHBondContact O-CA 3.35Å; V8-L34 PolarHBondContact O-N 2.77Å; V8-V177 CarbonylContact C-O 3.59Å; V8-V177 WeakPolarHBondContact CA-O 3.42Å; V8-V177 HydrophobicContact CB-CB 4.49Å; V8-V177 HydrophobicContact CG1-CB 4.37Å; V8-V177 HydrophobicContact CG2-CB 4.13Å; V8-V177 HydrophobicContact CG2-CG2 4.4Å; V8-C179 HydrophobicContact CG1-CB 4.43Å
9L98.7Very high93Very high5 Ų528.5 Ų28.53%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-94.6115.6-177.7-58.2177.7000110.6V7 L34 V163 L166 L169 V176 V177 C179 S180 L187V7-L9 HydrophobicContact CG2-CD2 3.76Å; L9-L34 CarbonylContact C-O 3.56Å; L9-L34 WeakPolarHBondContact CA-O 3.14Å; L9-L34 HydrophobicContact CD2-CB 4.17Å; L9-L34 HydrophobicContact CD2-CD2 4.41Å; L9-V163 HydrophobicContact CD2-CG2 4.45Å; L9-L166 HydrophobicContact CD1-CD2 3.75Å; L9-L169 HydrophobicContact CD1-CD1 4.41Å; L9-L169 HydrophobicContact CD2-CD2 4.35Å; L9-V176 HydrophobicContact CD1-CG1 3.68Å; L9-V176 HydrophobicContact CG-CG1 4.08Å; L9-V177 PolarHBondContact N-O 3.22Å; L9-C179 CarbonylContact O-C 3.55Å; L9-C179 WeakPolarHBondContact O-CA 3.38Å; L9-C179 VanDerWaalsContact O-CB 3.29Å; L9-C179 WeakPolarHBondContact O-CB 3.46Å; L9-C179 PolarHBondContact O-N 2.83Å; L9-S180 PolarHBondContact O-N 3.34Å; L9-S180 VanDerWaalsContact O-N 3.11Å; L9-L187 HydrophobicContact CD1-CD2 3.69Å
10G98.5Very high93.3Very high12 Ų1227.1 Ų27.112%0.12416%0.161CC..  trans110.9133.2177.700000113.6G15 L34G10-G15 WeakPolarHBondContact O-CA 3.47Å; G10-L34 PolarHBondContact N-O 3.15Å
11A98.5Very high93.5Very high3 Ų326 Ų263%0.02515%0.154CC..  trans-106.518.2-178.600000113.7L16 L33 A35 K37 F38A11-L16 WeakPolarHBondContact O-CD1 3.05Å; A11-L33 HydrophobicContact CB-CD2 3.75Å; A11-A35 HydrophobicContact CB-CB 3.59Å; A11-K37 WeakPolarHBondContact CB-O 3.42Å; A11-F38 HydrophobicContact CB-CD1 3.37Å; A11-F38 HydrophobicContact CB-CE1 3.44Å; A11-F38 VanDerWaalsContact CB-CE1 3.44Å; A11-F38 HydrophobicContact CB-CG 3.95Å; A11-F38 HydrophobicContact CB-CZ 4.08Å
12G98.4Very high96Very high18 Ų1814.2 Ų14.219%0.18610%0.097CC..SBendtrans-72.9177.1168.400000111.6V14 G15 L16G12-V14 PolarHBondContact O-N 3.07Å; G12-V14 VanDerWaalsContact O-N 3.1Å; G12-G15 PolarHBondContact O-N 3.3Å; G12-L16 PolarHBondContact O-N 3.47Å
13V98.3Very high97.8Very high2 Ų28.4 Ų8.41%0.0126%0.062CC..Hα-helixtrans-53.3-38.6-175.769.80000113.4S17 S44 Y143 L144 V309 A312V13-S17 VanDerWaalsContact O-CB 3.26Å; V13-S17 WeakPolarHBondContact O-CB 3.39Å; V13-S17 PolarHBondContact O-N 2.97Å; V13-S17 PolarHBondContact O-OG 2.92Å; V13-S44 PolarHBondContact N-OG 2.95Å; V13-Y143 HydrophobicContact CG2-CD1 4.15Å; V13-Y143 HydrophobicContact CG2-CE1 4.11Å; V13-L144 HydrophobicContact CB-CD2 3.9Å; V13-L144 HydrophobicContact CG2-CD2 4.35Å; V13-V309 HydrophobicContact CG1-CG2 4.18Å; V13-A312 HydrophobicContact CG1-CB 4.23Å; V13-A312 HydrophobicContact CG2-CB 3.88Å
14V98.6Very high98.4Very high14 Ų1411.1 Ų11.19%0.0857%0.067CC..Hα-helixtrans-69.7-40.8178.8176.90000111.8G12 S17 T18 C179 N301G12-V14 PolarHBondContact O-N 3.07Å; G12-V14 VanDerWaalsContact O-N 3.1Å; V14-S17 PolarHBondContact O-OG 2.98Å; V14-S17 VanDerWaalsContact O-OG 3.04Å; V14-T18 VanDerWaalsContact O-CB 3.23Å; V14-T18 WeakPolarHBondContact O-CB 3.38Å; V14-T18 PolarHBondContact O-N 3.27Å; V14-T18 PolarHBondContact O-OG1 2.85Å; V14-C179 HydrophobicContact CG1-CB 4.36Å; V14-N301 HydrophobicContact CG1-CB 4.37Å; V14-N301 VanDerWaalsContact CG1-ND2 3.31Å; V14-N301 WeakPolarHBondContact CG1-ND2 3.31Å; V14-N301 WeakPolarHBondContact CG1-O 3.5Å
15G98.8Very high98.5Very high1 Ų112.2 Ų12.21%0.018%0.075CC..Hα-helixtrans-70.1-45.9-179.200000111.8G10 G12 T18 A19G10-G15 WeakPolarHBondContact O-CA 3.47Å; G12-G15 PolarHBondContact O-N 3.3Å; G15-T18 PolarHBondContact O-N 2.85Å; G15-A19 WeakPolarHBondContact O-CB 3.41Å; G15-A19 PolarHBondContact O-N 3.36Å
16L98.8Very high98.5Very high0 Ų010.3 Ų10.30%07%0.067CC..Hα-helixtrans-65.1-44.9176.1-82.3165000112.3A11 G12 T18 A19 V20 L33 L144 L147 E148A11-L16 WeakPolarHBondContact O-CD1 3.05Å; G12-L16 PolarHBondContact O-N 3.47Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 PolarHBondContact O-N 3.4Å; L16-A19 PolarHBondContact O-N 3.16Å; L16-V20 WeakPolarHBondContact O-CB 3.44Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.28Å; L16-L33 HydrophobicContact CD2-CD1 3.67Å; L16-L33 HydrophobicContact CG-CD1 3.94Å; L16-L144 HydrophobicContact CD1-CB 4.04Å; L16-L144 HydrophobicContact CD1-CD2 3.9Å; L16-L147 HydrophobicContact CB-CB 4.07Å; L16-L147 HydrophobicContact CB-CD1 3.92Å; L16-L147 HydrophobicContact CD1-CB 4.39Å; L16-E148 HydrophobicContact CD1-CG 3.92Å; L16-E148 HydrophobicContact CD2-CB 4.48Å; L16-E148 HydrophobicContact CD2-CG 3.77Å
17S98.8Very high98.3Very high0 Ų016.3 Ų16.30%011%0.106CC..Hα-helixtrans-60.2-41.2175.9650000111.7V13 V14 C21 A312V13-S17 VanDerWaalsContact O-CB 3.26Å; V13-S17 WeakPolarHBondContact O-CB 3.39Å; V13-S17 PolarHBondContact O-N 2.97Å; V13-S17 PolarHBondContact O-OG 2.92Å; V14-S17 PolarHBondContact O-OG 2.98Å; V14-S17 VanDerWaalsContact O-OG 3.04Å; S17-C21 WeakPolarHBondContact O-CB 3.41Å; S17-C21 PolarHBondContact O-N 2.94Å; S17-C21 PolarHBondContact O-SG 3.28Å; S17-A312 PolarHBondContact OG-O 3.48Å; S17-A312 VanDerWaalsContact OG-O 3.06Å
18T98.9Very high98Very high0 Ų018.6 Ų18.60%012%0.119CC..Hα-helixtrans-67.1-43.8177.9-56.40000111.9V14 G15 L16 C21 I22 V177 N301 A319V14-T18 VanDerWaalsContact O-CB 3.23Å; V14-T18 WeakPolarHBondContact O-CB 3.38Å; V14-T18 PolarHBondContact O-N 3.27Å; V14-T18 PolarHBondContact O-OG1 2.85Å; G15-T18 PolarHBondContact O-N 2.85Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 PolarHBondContact O-N 3.4Å; T18-C21 PolarHBondContact O-N 3.13Å; T18-I22 HydrophobicContact CG2-CD1 3.86Å; T18-I22 VanDerWaalsContact O-CG1 3.28Å; T18-I22 WeakPolarHBondContact O-CG1 3.47Å; T18-I22 PolarHBondContact O-N 2.69Å; T18-V177 HydrophobicContact CG2-CG1 3.71Å; T18-N301 PolarHBondContact OG1-ND2 2.84Å; T18-A319 HydrophobicContact CG2-CB 3.99Å
19A98.9Very high97.9Very high0 Ų019.4 Ų19.40%013%0.125CC..Hα-helixtrans-63.5-43.117800000112.3V8 G15 L16 I22 A23 V31 L33 F151V8-A19 HydrophobicContact CB-CB 4.19Å; V8-A19 HydrophobicContact CG1-CB 4.34Å; V8-A19 HydrophobicContact CG2-CB 3.91Å; G15-A19 WeakPolarHBondContact O-CB 3.41Å; G15-A19 PolarHBondContact O-N 3.36Å; L16-A19 PolarHBondContact O-N 3.16Å; A19-I22 PolarHBondContact O-N 3.42Å; A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 2.95Å; A19-V31 HydrophobicContact CB-CG1 4.4Å; A19-L33 HydrophobicContact CB-CB 4.43Å; A19-L33 HydrophobicContact CB-CD1 3.72Å; A19-F151 HydrophobicContact CB-CD2 3.91Å; A19-F151 HydrophobicContact CB-CE2 3.65Å; A19-F151 HydrophobicContact CB-CZ 4.03Å
20V98.9Very high97.9Very high0 Ų020.5 Ų20.50%013%0.133CC..Hα-helixtrans-60.6-48.2173.3171.70000110.8L16 I22 A23 E24 L147 R150 F151 W313L16-V20 WeakPolarHBondContact O-CB 3.44Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.28Å; V20-I22 VanDerWaalsContact C-N 3.29Å; V20-I22 PolarHBondContact O-N 2.74Å; V20-A23 PolarHBondContact O-N 3.42Å; V20-E24 HydrophobicContact CG1-CG 4.19Å; V20-E24 WeakPolarHBondContact O-CB 3.43Å; V20-E24 WeakPolarHBondContact O-CG 3.3Å; V20-E24 PolarHBondContact O-N 3.32Å; V20-L147 HydrophobicContact CG2-CD2 4.43Å; V20-R150 HydrophobicContact CG1-CG 4.07Å; V20-R150 HydrophobicContact CG2-CG 4.46Å; V20-F151 HydrophobicContact CG2-CB 3.77Å; V20-F151 HydrophobicContact CG2-CD2 4.44Å; V20-W313 HydrophobicContact CB-CH2 4.31Å; V20-W313 HydrophobicContact CG1-CH2 3.84Å
21C98.7Very high97.9Very high4 Ų420.1 Ų20.13%0.02713%0.128CC..Hα-helixtrans-55.2-45178.1-75.30000112.1S17 T18 S25 W313 A316 L320S17-C21 WeakPolarHBondContact O-CB 3.41Å; S17-C21 PolarHBondContact O-N 2.94Å; S17-C21 PolarHBondContact O-SG 3.28Å; T18-C21 PolarHBondContact O-N 3.13Å; C21-S25 WeakPolarHBondContact O-CB 3.47Å; C21-S25 PolarHBondContact O-N 2.9Å; C21-S25 VanDerWaalsContact O-N 3.16Å; C21-S25 PolarHBondContact O-OG 2.83Å; C21-W313 VanDerWaalsContact SG-CE3 3.57Å; C21-W313 WeakPolarHBondContact SG-CZ3 3.38Å; C21-A316 HydrophobicContact CB-CB 4.5Å; C21-L320 HydrophobicContact CB-CB 4.46Å; C21-L320 HydrophobicContact CB-CD2 4.34Å
22I98.8Very high97.9Very high0 Ų020.2 Ų20.20%013%0.128CC..Hα-helixtrans-68.1-51.1180-64.6165.4000110.5V6 V8 T18 A19 V20 E24 S25 L26 C29 V31 V177 L320 V323V6-I22 HydrophobicContact CG1-CD1 4.46Å; V6-I22 HydrophobicContact CG1-CG2 4.48Å; V8-I22 HydrophobicContact CG2-CD1 4.25Å; T18-I22 HydrophobicContact CG2-CD1 3.86Å; T18-I22 VanDerWaalsContact O-CG1 3.28Å; T18-I22 WeakPolarHBondContact O-CG1 3.47Å; T18-I22 PolarHBondContact O-N 2.69Å; A19-I22 PolarHBondContact O-N 3.42Å; V20-I22 VanDerWaalsContact C-N 3.29Å; V20-I22 PolarHBondContact O-N 2.74Å; I22-E24 PolarHBondContact O-N 2.92Å; I22-S25 PolarHBondContact O-N 3.43Å; I22-L26 HydrophobicContact CG2-CD1 4.18Å; I22-L26 WeakPolarHBondContact O-CB 3.32Å; I22-L26 PolarHBondContact O-N 3.27Å; I22-C29 HydrophobicContact CG2-CB 4.36Å; I22-V31 HydrophobicContact CB-CG2 4.28Å; I22-V31 HydrophobicContact CG2-CG2 3.55Å; I22-V177 HydrophobicContact CD1-CG2 3.83Å; I22-L320 HydrophobicContact CG1-CD1 4.1Å; I22-V323 HydrophobicContact CD1-CG2 3.97Å; I22-V323 HydrophobicContact CG1-CG2 4.45Å
23A98.5Very high97.9Very high16 Ų1619.3 Ų19.313%0.13212%0.119CC..Hα-helixtrans-61.9-41.4-176.300000112.6A19 V20 V31 F151 A154A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 2.95Å; V20-A23 PolarHBondContact O-N 3.42Å; A23-V31 HydrophobicContact CB-CB 4.42Å; A23-V31 HydrophobicContact CB-CG2 4.09Å; A23-F151 HydrophobicContact CB-CD2 4.09Å; A23-F151 HydrophobicContact CB-CE2 3.94Å; A23-A154 HydrophobicContact CB-CB 3.84Å
24E98.2Very high97.9Very high90 Ų9019.4 Ų19.442%0.42112%0.12SC..Hα-helixtrans-77.1-26.3179.8-67.2-178.4166.400113.2V20 I22 R150 A154V20-E24 HydrophobicContact CG1-CG 4.19Å; V20-E24 WeakPolarHBondContact O-CB 3.43Å; V20-E24 WeakPolarHBondContact O-CG 3.3Å; V20-E24 PolarHBondContact O-N 3.32Å; I22-E24 PolarHBondContact O-N 2.92Å; E24-R150 WeakPolarHBondContact OE1-CG 3.49Å; E24-R150 IonicContact OE1-CZ 3.46Å; E24-R150 IonicContact OE1-NE 3.31Å; E24-R150 PolarHBondContact OE1-NE 3.03Å; E24-R150 IonicContact OE1-NH2 2.68Å; E24-R150 PolarHBondContact OE1-NH2 3.34Å; E24-R150 IonicContact OE2-CZ 3.77Å; E24-R150 IonicContact OE2-NE 3.97Å; E24-R150 IonicContact OE2-NH2 2.79Å; E24-R150 PolarHBondContact OE2-NH2 3.36Å; E24-A154 HydrophobicContact CG-CB 3.87Å
25S98.2Very high97.9Very high45 Ų4519.1 Ų19.132%0.31512%0.119SC..Hα-helixtrans-102.7-14.2-172.2-55.50000114.9C21 I22C21-S25 WeakPolarHBondContact O-CB 3.47Å; C21-S25 PolarHBondContact O-N 2.9Å; C21-S25 VanDerWaalsContact O-N 3.16Å; C21-S25 PolarHBondContact O-OG 2.83Å; I22-S25 PolarHBondContact O-N 3.43Å
26L96.8Very high97.9Very high7 Ų723.9 Ų23.94%0.03714%0.141CC..  trans-131.782.4-174-61.2175.6000111I22 V28 C29 L320 V323 R324 L327I22-L26 HydrophobicContact CG2-CD1 4.18Å; I22-L26 WeakPolarHBondContact O-CB 3.32Å; I22-L26 PolarHBondContact O-N 3.27Å; L26-V28 PolarHBondContact O-N 2.88Å; L26-C29 HydrophobicContact CB-CB 4.19Å; L26-C29 WeakPolarHBondContact O-CB 3.39Å; L26-C29 PolarHBondContact O-N 3.25Å; L26-L320 HydrophobicContact CD1-CD1 3.56Å; L26-L320 HydrophobicContact CG-CD1 3.86Å; L26-V323 HydrophobicContact CD1-CG1 3.74Å; L26-R324 HydrophobicContact CD1-CG 4.29Å; L26-R324 HydrophobicContact CD2-CG 3.81Å; L26-L327 HydrophobicContact CD1-CD1 3.93Å; L26-L327 HydrophobicContact CD2-CD1 4.42Å
27P92.8Very high97.8Very high126 Ų12629.2 Ų29.282%0.81816%0.164SC*.THydrogen-bonded Turntrans-60.4-19.2-179.4-2434.3000114.5C29P27-C29 PolarHBondContact O-N 2.89Å
28V94.1Very high97.8Very high47 Ų4730.2 Ų30.229%0.28517%0.168SC..THydrogen-bonded Turntrans-75.4-11.7175.6-61.10000113.1G3 V4 L26 L327G3-V28 CarbonylContact C-O 3.56Å; G3-V28 WeakPolarHBondContact CA-O 3.44Å; V4-V28 PolarHBondContact N-O 3.42Å; L26-V28 PolarHBondContact O-N 2.88Å; V28-L327 HydrophobicContact CG2-CD1 4.34Å
29C96.8Very high97.7Very high17 Ų1731.5 Ų31.512%0.11518%0.178CC..EExtended strand (participates in β ladder)trans-100.5136.1-178-67.10000111.7V4 V6 I22 L26 P27 V31V4-C29 CarbonylContact O-C 3.57Å; V4-C29 VanDerWaalsContact O-CA 3.3Å; V4-C29 WeakPolarHBondContact O-CA 3.36Å; V6-C29 HydrophobicContact CG2-CB 3.96Å; I22-C29 HydrophobicContact CG2-CB 4.36Å; L26-C29 HydrophobicContact CB-CB 4.19Å; L26-C29 WeakPolarHBondContact O-CB 3.39Å; L26-C29 PolarHBondContact O-N 3.25Å; P27-C29 PolarHBondContact O-N 2.89Å; C29-V31 HydrophobicContact CB-CG2 4.2Å
30S97.7Very high97.6Very high29 Ų2935.8 Ų35.820%0.20321%0.205CC..EExtended strand (participates in β ladder)trans-99.1115.1163175.30000107.6V4 Q5 V6V4-S30 PolarHBondContact O-N 2.83Å; Q5-S30 PolarHBondContact OE1-OG 3.06Å; V6-S30 PolarHBondContact N-O 2.78Å
31V98.6Very high97.4Very high4 Ų441.2 Ų41.22%0.02423%0.234CC..EExtended strand (participates in β ladder)trans-104.6122.4-170.9-1690000110.7V6 V8 A19 I22 A23 C29 F151 R157V6-V31 WeakPolarHBondContact O-CA 3.37Å; V8-V31 HydrophobicContact CG2-CG1 3.89Å; A19-V31 HydrophobicContact CB-CG1 4.4Å; I22-V31 HydrophobicContact CB-CG2 4.28Å; I22-V31 HydrophobicContact CG2-CG2 3.55Å; A23-V31 HydrophobicContact CB-CB 4.42Å; A23-V31 HydrophobicContact CB-CG2 4.09Å; C29-V31 HydrophobicContact CB-CG2 4.2Å; V31-F151 HydrophobicContact CB-CE2 3.98Å; V31-F151 HydrophobicContact CB-CZ 4.1Å; V31-F151 HydrophobicContact CG1-CE2 3.79Å; V31-F151 HydrophobicContact CG1-CZ 3.84Å; V31-R157 PolarHBondContact O-N 2.83Å
32T98.7Very high97.4Very high4 Ų441.7 Ų41.73%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-108.3123.9168.7-60.90000109.4V6 V7 V8 R157 E159 F173V6-T32 PolarHBondContact O-N 2.92Å; V7-T32 CarbonylContact C-O 3.49Å; V7-T32 VanDerWaalsContact CA-O 3.27Å; V7-T32 WeakPolarHBondContact CA-O 3.3Å; V8-T32 PolarHBondContact N-O 3.36Å; T32-R157 CarbonylContact C-O 3.4Å; T32-R157 VanDerWaalsContact CA-O 3.3Å; T32-R157 WeakPolarHBondContact CA-O 3.24Å; T32-R157 HydrophobicContact CG2-CB 4.44Å; T32-E159 HydrophobicContact CG2-CB 4.44Å; T32-E159 HydrophobicContact CG2-CG 4.02Å; T32-F173 HydrophobicContact CG2-CZ 4.3Å
33L98.8Very high97.2Very high0 Ų044.6 Ų44.60%026%0.255CS..EExtended strand (participates in β ladder)trans-93.6121.6168.2-175.2148.9000109.1V8 A11 L16 A19 F38 F151 R157 M158 E159V8-L33 WeakPolarHBondContact O-CA 3.35Å; A11-L33 HydrophobicContact CB-CD2 3.75Å; L16-L33 HydrophobicContact CD2-CD1 3.67Å; L16-L33 HydrophobicContact CG-CD1 3.94Å; A19-L33 HydrophobicContact CB-CB 4.43Å; A19-L33 HydrophobicContact CB-CD1 3.72Å; L33-F38 HydrophobicContact CD2-CE1 3.38Å; L33-F38 HydrophobicContact CD2-CZ 3.71Å; L33-F151 HydrophobicContact CB-CD1 4.39Å; L33-F151 HydrophobicContact CB-CE1 3.6Å; L33-F151 HydrophobicContact CB-CZ 3.97Å; L33-R157 PolarHBondContact N-O 2.92Å; L33-M158 HydrophobicContact CB-CG 4.46Å; L33-M158 CarbonylContact O-C 3.5Å; L33-M158 WeakPolarHBondContact O-CA 3.42Å; L33-E159 PolarHBondContact O-N 3.44Å
34L98.6Very high97.1Very high3 Ų344.7 Ų44.72%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-122.4123.5-174.7-166.5168.1000109.5V7 V8 L9 G10 E159 R161 V163 L169V7-L34 HydrophobicContact CG2-CB 3.89Å; V7-L34 HydrophobicContact CG2-CD1 4.44Å; V8-L34 PolarHBondContact O-N 2.77Å; L9-L34 CarbonylContact C-O 3.56Å; L9-L34 WeakPolarHBondContact CA-O 3.14Å; L9-L34 HydrophobicContact CD2-CB 4.17Å; L9-L34 HydrophobicContact CD2-CD2 4.41Å; G10-L34 PolarHBondContact N-O 3.15Å; L34-E159 WeakPolarHBondContact CA-O 3.48Å; L34-E159 HydrophobicContact CG-CB 4.3Å; L34-R161 VanDerWaalsContact CD1-NH2 3.34Å; L34-R161 HydrophobicContact CD2-CB 4.06Å; L34-R161 WeakPolarHBondContact CD2-O 3.42Å; L34-R161 HydrophobicContact CG-CB 4.45Å; L34-V163 HydrophobicContact CD1-CG2 4.08Å; L34-V163 HydrophobicContact CD2-CG2 3.42Å; L34-V163 VanDerWaalsContact CD2-CG2 3.42Å; L34-V163 HydrophobicContact CG-CG2 4.43Å; L34-L169 HydrophobicContact CD1-CD2 4.37Å
35A98.4Very high97Very high8 Ų841.4 Ų41.47%0.06624%0.24CC..EExtended strand (participates in β ladder)trans-148.7154.8177.500000113.1A11 K37 F38 E159 Q160 R161A11-A35 HydrophobicContact CB-CB 3.59Å; A35-K37 WeakPolarHBondContact CB-O 3.5Å; A35-F38 HydrophobicContact CB-CD2 4.48Å; A35-F38 HydrophobicContact CB-CE2 3.89Å; A35-F38 HydrophobicContact CB-CZ 3.95Å; A35-E159 PolarHBondContact N-O 3.06Å; A35-E159 VanDerWaalsContact N-O 3.11Å; A35-Q160 CarbonylContact O-C 3.56Å; A35-Q160 VanDerWaalsContact O-CA 3.3Å; A35-Q160 WeakPolarHBondContact O-CA 3.36Å; A35-R161 CarbonylContact C-O 3.58Å; A35-R161 PolarHBondContact O-N 3.25Å
36E97.6Very high96.6Very high102 Ų10239.9 Ų39.948%0.47723%0.231SC..SBendtrans-71.4-39.4171-178.6-179.3164.700111.5Q160 R161 R162E36-Q160 PolarHBondContact O-NE2 3.04Å; E36-R161 PolarHBondContact N-O 2.98Å; E36-R162 HydrophobicContact CB-CB 4.26Å; E36-R162 HydrophobicContact CG-CB 4.13Å; E36-R162 HydrophobicContact CG-CG 4.42Å; E36-R162 WeakPolarHBondContact OE2-CD 3.48Å; E36-R162 WeakPolarHBondContact OE2-CG 3.34Å; E36-R162 IonicContact OE2-NE 2.86Å
37K97.7Very high96.3Very high111 Ų11141.2 Ų41.248%0.48324%0.243SC..  trans-125.4140.8-176.6-57.5-173-178.4-171.70110.2A11 A35 D41A11-K37 WeakPolarHBondContact CB-O 3.42Å; A35-K37 WeakPolarHBondContact CB-O 3.5Å; K37-D41 HydrophobicContact CB-CB 4.3Å; K37-D41 HydrophobicContact CD-CB 4.34Å; K37-D41 WeakPolarHBondContact CD-O 3.5Å
38F98.3Very high95.6Very high21 Ų2135.8 Ų35.89%0.09221%0.209CC..  trans-118.2175172.4-74.6-92.6000109.3A11 L33 A35 D41 M158 Q160A11-F38 HydrophobicContact CB-CD1 3.37Å; A11-F38 HydrophobicContact CB-CE1 3.44Å; A11-F38 VanDerWaalsContact CB-CE1 3.44Å; A11-F38 HydrophobicContact CB-CG 3.95Å; A11-F38 HydrophobicContact CB-CZ 4.08Å; L33-F38 HydrophobicContact CD2-CE1 3.38Å; L33-F38 HydrophobicContact CD2-CZ 3.71Å; A35-F38 HydrophobicContact CB-CD2 4.48Å; A35-F38 HydrophobicContact CB-CE2 3.89Å; A35-F38 HydrophobicContact CB-CZ 3.95Å; F38-D41 WeakPolarHBondContact O-CA 3.47Å; F38-D41 PolarHBondContact O-N 3.26Å; F38-M158 HydrophobicContact CD1-CE 3.66Å; F38-M158 HydrophobicContact CE1-CB 4.49Å; F38-M158 HydrophobicContact CE1-CE 3.43Å; F38-M158 VanDerWaalsContact CE1-CE 3.43Å; F38-M158 HydrophobicContact CE1-CG 4.48Å; F38-M158 HydrophobicContact CZ-CE 4.24Å; F38-Q160 HydrophobicContact CD2-CB 4.16Å; F38-Q160 HydrophobicContact CD2-CG 4Å; F38-Q160 HydrophobicContact CE2-CB 3.8Å; F38-Q160 HydrophobicContact CE2-CG 4Å
39S97.1Very high94.3Very high28 Ų2834.3 Ų34.320%0.19620%0.204CC..THydrogen-bonded Turntrans-55.8134.4171173.90000109.6D45S39-D45 PolarHBondContact OG-OD1 2.74Å
40P96.1Very high92.9Very high90 Ų9034.9 Ų34.958%0.58421%0.205SC*.THydrogen-bonded Turncis-96.41512.638.4-36.6000115.3D45P40-D45 VanDerWaalsContact C-CG 3.44Å; P40-D45 VanDerWaalsContact C-OD2 3.25Å; P40-D45 WeakPolarHBondContact O-CB 3.43Å
41D96.1Very high91.3Very high114 Ų11435 Ų3561%0.6121%0.208SC*.SBendtrans-99.516.4-168-63.7-47.9000114.2K37 F38K37-D41 HydrophobicContact CB-CB 4.3Å; K37-D41 HydrophobicContact CD-CB 4.34Å; K37-D41 WeakPolarHBondContact CD-O 3.5Å; F38-D41 WeakPolarHBondContact O-CA 3.47Å; F38-D41 PolarHBondContact O-N 3.26Å
42T97.1Very high89.5Confident14 Ų1438 Ų389%0.08623%0.228CC..SBendtrans-93.6159.9178.284.70000111.6S44 D45 L144T42-S44 PolarHBondContact O-N 2.7Å; T42-S44 WeakPolarHBondContact OG1-CB 3.45Å; T42-S44 PolarHBondContact OG1-N 2.9Å; T42-D45 WeakPolarHBondContact CA-OD2 3.26Å; T42-D45 VanDerWaalsContact CB-OD2 3.24Å; T42-D45 WeakPolarHBondContact CB-OD2 3.49Å; T42-D45 PolarHBondContact N-OD2 3.16Å; T42-D45 PolarHBondContact O-N 3.31Å; T42-D45 PolarHBondContact OG1-N 2.76Å; T42-D45 PolarHBondContact OG1-OD2 3.49Å; T42-L144 HydrophobicContact CG2-CD1 4.5Å; T42-L144 WeakPolarHBondContact OG1-CD1 3.31Å
43T95.9Very high88.2Confident61 Ų6139.6 Ų39.637%0.37423%0.234SC..THydrogen-bonded Turntrans-60.7-24.1169.5-52.90000112.5W271 L274T43-W271 HydrophobicContact CG2-CH2 4.35Å; T43-W271 WeakPolarHBondContact O-CH2 3.36Å; T43-L274 WeakPolarHBondContact CG2-O 3.45Å
44S96.4Very high87Confident18 Ų1840.1 Ų40.113%0.12624%0.238CC..THydrogen-bonded Turntrans-71.3-34.4-178.3-58.20000111V13 T42 G46 A47 C140V13-S44 PolarHBondContact N-OG 2.95Å; T42-S44 PolarHBondContact O-N 2.7Å; T42-S44 WeakPolarHBondContact OG1-CB 3.45Å; T42-S44 PolarHBondContact OG1-N 2.9Å; S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 2.9Å; S44-A47 WeakPolarHBondContact O-CB 3.46Å; S44-A47 PolarHBondContact O-N 3.35Å; S44-C140 VanDerWaalsContact C-CB 3.5Å; S44-C140 WeakPolarHBondContact O-CB 3.41Å
45D94.9Very high86.2Confident20 Ų2045.7 Ų45.711%0.10727%0.267CS..THydrogen-bonded Turntrans-56-37.8-177.4-67.3-71.8000113.8S39 P40 T42 L144S39-D45 PolarHBondContact OG-OD1 2.74Å; P40-D45 VanDerWaalsContact C-CG 3.44Å; P40-D45 VanDerWaalsContact C-OD2 3.25Å; P40-D45 WeakPolarHBondContact O-CB 3.43Å; T42-D45 WeakPolarHBondContact CA-OD2 3.26Å; T42-D45 VanDerWaalsContact CB-OD2 3.24Å; T42-D45 WeakPolarHBondContact CB-OD2 3.49Å; T42-D45 PolarHBondContact N-OD2 3.16Å; T42-D45 PolarHBondContact O-N 3.31Å; T42-D45 PolarHBondContact OG1-N 2.76Å; T42-D45 PolarHBondContact OG1-OD2 3.49Å; D45-L144 WeakPolarHBondContact OD1-CD1 3.25Å
46G90Very high85.7Confident13 Ų1346 Ų4613%0.13427%0.268CS..THydrogen-bonded Turntrans-93.38.9176.200000115.2S44 A48 W271S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 2.9Å; G46-A48 PolarHBondContact O-N 3.31Å; G46-W271 WeakPolarHBondContact O-CZ3 3.36Å
47A89.9Confident85.5Confident35 Ų3545.4 Ų45.429%0.28927%0.273SS..  trans-70.2131.8179.900000111.3S44 V309S44-A47 WeakPolarHBondContact O-CB 3.46Å; S44-A47 PolarHBondContact O-N 3.35Å; A47-V309 HydrophobicContact CB-CG2 3.71Å
48A79.3Confident85.2Confident13 Ų1344.5 Ų44.511%0.10727%0.273CS..  trans-84.9-13.3-17800000113.5G46 Y220 Y222 T229G46-A48 PolarHBondContact O-N 3.31Å; A48-Y220 HydrophobicContact CB-CD2 4.44Å; A48-Y220 HydrophobicContact CB-CE2 3.79Å; A48-Y222 HydrophobicContact CB-CD2 3.62Å; A48-Y222 HydrophobicContact CB-CE2 3.88Å; A48-Y222 WeakPolarHBondContact O-CD2 3.49Å; A48-T229 HydrophobicContact CB-CG2 3.93Å
49G65.4Low85.1Confident16 Ų1650.6 Ų50.617%0.16530%0.302CS..SBendtrans97.9-22164.800000118.4T310G49-T310 PolarHBondContact O-OG1 2.8Å
50I67.5Low84.9Confident28 Ų2854.3 Ų54.314%0.14431%0.311CS..  trans-131.5123.6-173.9-50.4167.7000112.2T135 F211 Y222I50-T135 HydrophobicContact CD1-CG2 3.74Å; I50-T135 HydrophobicContact CG1-CG2 4.37Å; I50-F211 HydrophobicContact CD1-CG 4.46Å; I50-Y222 HydrophobicContact CB-CE1 4.49Å; I50-Y222 HydrophobicContact CB-CE2 4.07Å; I50-Y222 HydrophobicContact CD1-CD1 4.48Å; I50-Y222 HydrophobicContact CD1-CE1 4.27Å; I50-Y222 PolarHBondContact O-OH 2.99Å
51A64.8Low84.8Confident32 Ų3251.3 Ų51.326%0.26429%0.289SS..  trans-152.8176.6174.200000111W307A51-W307 HydrophobicContact CB-CE3 4.43Å; A51-W307 HydrophobicContact CB-CH2 3.14Å; A51-W307 HydrophobicContact CB-CZ2 4.42Å; A51-W307 HydrophobicContact CB-CZ3 3.17Å; A51-W307 WeakPolarHBondContact O-CZ3 3.43Å
52P60.8Low84.7Confident67 Ų6749.2 Ų49.244%0.43527%0.273SS..  trans-46.6-149.1166.814.9-29.9000118.8W307P52-W307 HydrophobicContact CB-CH2 3.75Å; P52-W307 HydrophobicContact CB-CZ2 3.79Å; P52-W307 HydrophobicContact CG-CH2 3.47Å; P52-W307 VanDerWaalsContact CG-CH2 3.47Å; P52-W307 HydrophobicContact CG-CZ2 3.66Å; P52-W307 VanDerWaalsContact N-CZ3 3.28Å; P52-W307 WeakPolarHBondContact O-CH2 3.42Å; P52-W307 VanDerWaalsContact O-CZ2 3.29Å; P52-W307 WeakPolarHBondContact O-CZ2 3.28Å; P52-W307 WeakPolarHBondContact O-CZ3 3.22Å
53F72.2Confident84.7Confident37 Ų3753.9 Ų53.916%0.16229%0.289CS..  trans-144.3158.7176.1-99.4-98.6000111.1F65 Y105 W307 T310 I311F53-F65 HydrophobicContact CE1-CB 3.8Å; F53-F65 HydrophobicContact CE1-CD2 4.36Å; F53-F65 HydrophobicContact CE1-CG 4.33Å; F53-F65 HydrophobicContact CE2-CB 4.48Å; F53-F65 AromaticContact CE2-CD2 3.93Å; F53-F65 HydrophobicContact CE2-CD2 3.93Å; F53-F65 HydrophobicContact CE2-CE2 4.31Å; F53-F65 HydrophobicContact CE2-CG 4.17Å; F53-F65 HydrophobicContact CZ-CB 3.52Å; F53-F65 AromaticContact CZ-CD2 3.33Å; F53-F65 HydrophobicContact CZ-CD2 3.33Å; F53-F65 HydrophobicContact CZ-CE2 4.12Å; F53-F65 AromaticContact CZ-CG 3.54Å; F53-F65 HydrophobicContact CZ-CG 3.54Å; F53-Y105 HydrophobicContact CB-CE1 3.92Å; F53-Y105 AromaticContact CD1-CZ 3.94Å; F53-Y105 WeakPolarHBondContact CD1-OH 3.48Å; F53-Y105 HydrophobicContact CD2-CE1 4.08Å; F53-Y105 AromaticContact CD2-CZ 3.85Å; F53-Y105 WeakPolarHBondContact CD2-OH 3.37Å; F53-Y105 WeakPolarHBondContact CE1-OH 3.49Å; F53-Y105 WeakPolarHBondContact CE2-OH 3.45Å; F53-Y105 AromaticContact CG-CE1 3.95Å; F53-Y105 HydrophobicContact CG-CE1 3.95Å; F53-Y105 AromaticContact CG-CZ 3.76Å; F53-Y105 WeakPolarHBondContact CG-OH 3.44Å; F53-Y105 WeakPolarHBondContact CZ-OH 3.23Å; F53-W307 VanDerWaalsContact CA-CE2 3.42Å; F53-W307 VanDerWaalsContact N-CZ2 3.27Å; F53-T310 HydrophobicContact CE2-CG2 3.92Å; F53-T310 HydrophobicContact CZ-CG2 3.61Å; F53-I311 HydrophobicContact CD1-CG2 4.26Å; F53-I311 HydrophobicContact CE1-CG2 3.34Å; F53-I311 HydrophobicContact CZ-CG2 3.9Å
54P72.2Confident84.7Confident11 Ų1151 Ų517%0.07127%0.272CS..  trans-73.3155.9177.231.2-30.3000111.8I56 Q61 P281 W307P54-I56 VanDerWaalsContact C-N 3.31Å; P54-I56 HydrophobicContact CG-CD1 4.15Å; P54-I56 HydrophobicContact CG-CG1 4.4Å; P54-I56 PolarHBondContact O-N 2.95Å; P54-Q61 PolarHBondContact O-NE2 3.2Å; P54-P281 HydrophobicContact CB-CG 4.34Å; P54-P281 HydrophobicContact CG-CG 4.15Å; P54-W307 HydrophobicContact CG-CG 4.37Å
55D82.9Confident84.7Confident120 Ų12050.8 Ų50.864%0.64227%0.268SS*.SBendtrans-83.770.3-177.3-173.127.8000111.8N280D55-N280 VanDerWaalsContact C-OD1 3.27Å; D55-N280 PolarHBondContact N-OD1 2.81Å; D55-N280 PolarHBondContact O-ND2 3.3Å; D55-N280 PolarHBondContact O-OD1 3.45Å
56I87.5Confident84.7Confident14 Ų1454.1 Ų54.17%0.07228%0.282CS..SBendtrans-116.6166.8176.964.7-178.2000110.4P54 L58 R60 Q61 W64 N280P54-I56 VanDerWaalsContact C-N 3.31Å; P54-I56 HydrophobicContact CG-CD1 4.15Å; P54-I56 HydrophobicContact CG-CG1 4.4Å; P54-I56 PolarHBondContact O-N 2.95Å; I56-L58 PolarHBondContact O-N 3.28Å; I56-R60 HydrophobicContact CD1-CB 4.18Å; I56-R60 HydrophobicContact CD1-CG 3.88Å; I56-R60 HydrophobicContact CG1-CB 4.47Å; I56-Q61 HydrophobicContact CD1-CG 3.97Å; I56-Q61 HydrophobicContact CG1-CB 4.43Å; I56-Q61 HydrophobicContact CG1-CG 3.3Å; I56-Q61 PolarHBondContact O-NE2 3.21Å; I56-W64 HydrophobicContact CD1-CD2 4.37Å; I56-W64 HydrophobicContact CD1-CE3 3.42Å; I56-W64 VanDerWaalsContact CD1-CE3 3.42Å; I56-W64 HydrophobicContact CD1-CH2 4.15Å; I56-W64 HydrophobicContact CD1-CZ3 3.28Å; I56-N280 HydrophobicContact CG2-CB 3.82Å; I56-N280 VanDerWaalsContact CG2-CG 3.44Å; I56-N280 WeakPolarHBondContact CG2-OD1 3.38Å
57P93.4Very high85.1Confident90 Ų9055.7 Ų55.758%0.58429%0.287SS*.  trans-52137.2177.9-2936.7000112.6E59 R60 Q61P57-E59 VanDerWaalsContact C-N 3.27Å; P57-E59 PolarHBondContact O-N 3.15Å; P57-R60 WeakPolarHBondContact O-CA 3.41Å; P57-R60 WeakPolarHBondContact O-CB 3.31Å; P57-R60 PolarHBondContact O-N 3.17Å; P57-Q61 PolarHBondContact O-N 2.93Å; P57-Q61 VanDerWaalsContact O-N 3.07Å
58L92.3Very high85.5Confident92 Ų9254 Ų5448%0.48227%0.273SS..Hα-helixtrans-55.2-40.7-171.7177.460.5000113.2I56 R60 Q61 R62 Y105I56-L58 PolarHBondContact O-N 3.28Å; L58-R60 VanDerWaalsContact C-N 3.26Å; L58-R60 PolarHBondContact O-N 3.47Å; L58-Q61 WeakPolarHBondContact O-CB 3.2Å; L58-Q61 PolarHBondContact O-N 3.11Å; L58-R62 HydrophobicContact CD1-CG 4.14Å; L58-R62 HydrophobicContact CG-CG 4.45Å; L58-R62 WeakPolarHBondContact O-CB 3.39Å; L58-R62 WeakPolarHBondContact O-CG 3.41Å; L58-R62 PolarHBondContact O-N 3.38Å; L58-Y105 VanDerWaalsContact CD1-CB 3.47Å; L58-Y105 HydrophobicContact CD1-CD1 4.22Å; L58-Y105 HydrophobicContact CD1-CD2 3.91Å; L58-Y105 HydrophobicContact CD1-CG 3.58Å
59E94.6Very high86.3Confident150 Ų15053.9 Ų53.970%0.70127%0.27SS*.Hα-helixtrans-56.4-41.5175.7-67.2-59.915900112.2P57 R63P57-E59 VanDerWaalsContact C-N 3.27Å; P57-E59 PolarHBondContact O-N 3.15Å; E59-R63 WeakPolarHBondContact O-CB 3.42Å; E59-R63 PolarHBondContact O-N 3.14Å
60R94.5Very high87.9Confident106 Ų10656.3 Ų56.340%0.428%0.279SS..Hα-helixtrans-71.3-39.9178.4-169.6177.5-74.2-170.3-2.8111.4I56 P57 L58 W64I56-R60 HydrophobicContact CD1-CB 4.18Å; I56-R60 HydrophobicContact CD1-CG 3.88Å; I56-R60 HydrophobicContact CG1-CB 4.47Å; P57-R60 WeakPolarHBondContact O-CA 3.41Å; P57-R60 WeakPolarHBondContact O-CB 3.31Å; P57-R60 PolarHBondContact O-N 3.17Å; L58-R60 VanDerWaalsContact C-N 3.26Å; L58-R60 PolarHBondContact O-N 3.47Å; R60-W64 HydrophobicContact CG-CD2 3.85Å; R60-W64 HydrophobicContact CG-CE3 4.17Å; R60-W64 HydrophobicContact CG-CG 4.45Å; R60-W64 HydrophobicContact CG-CH2 4.1Å; R60-W64 HydrophobicContact CG-CZ2 3.75Å; R60-W64 HydrophobicContact CG-CZ3 4.29Å; R60-W64 WeakPolarHBondContact O-CB 3.34Å; R60-W64 PolarHBondContact O-N 3.43Å
61Q92.7Very high89.3Confident26 Ų2656.7 Ų56.712%0.12128%0.281CS..Hα-helixtrans-58.3-51.4173.6-62.2-171.74500110.9P54 I56 P57 L58 W64 F65 Y105P54-Q61 PolarHBondContact O-NE2 3.2Å; I56-Q61 HydrophobicContact CD1-CG 3.97Å; I56-Q61 HydrophobicContact CG1-CB 4.43Å; I56-Q61 HydrophobicContact CG1-CG 3.3Å; I56-Q61 PolarHBondContact O-NE2 3.21Å; P57-Q61 PolarHBondContact O-N 2.93Å; P57-Q61 VanDerWaalsContact O-N 3.07Å; L58-Q61 WeakPolarHBondContact O-CB 3.2Å; L58-Q61 PolarHBondContact O-N 3.11Å; Q61-W64 PolarHBondContact O-N 3.43Å; Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 3.27Å; Q61-Y105 HydrophobicContact CB-CE1 4.25Å; Q61-Y105 HydrophobicContact CB-CE2 3.9Å
62R94.7Very high90.9Very high71 Ų7155.8 Ų55.827%0.26827%0.271SS..Hα-helixtrans-59.2-49.5-179.6-77.9-176.769.688.6-0.5111.7L58 K66 Y105 D108L58-R62 HydrophobicContact CD1-CG 4.14Å; L58-R62 HydrophobicContact CG-CG 4.45Å; L58-R62 WeakPolarHBondContact O-CB 3.39Å; L58-R62 WeakPolarHBondContact O-CG 3.41Å; L58-R62 PolarHBondContact O-N 3.38Å; R62-K66 WeakPolarHBondContact O-CB 3.37Å; R62-K66 PolarHBondContact O-N 3.3Å; R62-Y105 HydrophobicContact CG-CD2 3.49Å; R62-Y105 VanDerWaalsContact CG-CD2 3.49Å; R62-Y105 HydrophobicContact CG-CE2 3.99Å; R62-Y105 PolarHBondContact NH1-O 3.29Å; R62-D108 IonicContact CZ-OD1 3.67Å; R62-D108 IonicContact CZ-OD2 3.37Å; R62-D108 IonicContact NH1-OD1 3.89Å; R62-D108 PolarHBondContact NH1-OD1 2.83Å; R62-D108 IonicContact NH1-OD2 3.17Å; R62-D108 PolarHBondContact NH1-OD2 3.34Å; R62-D108 IonicContact NH2-OD1 2.68Å; R62-D108 PolarHBondContact NH2-OD1 2.91Å; R62-D108 IonicContact NH2-OD2 2.69Å; R62-D108 PolarHBondContact NH2-OD2 3.04Å
63R96.4Very high92.6Very high111 Ų11153.8 Ų53.842%0.41926%0.257SS..Hα-helixtrans-61-51.6179.7-175.8173.361.3147.49.9111.8E59 F65 K66 D67 D318E59-R63 WeakPolarHBondContact O-CB 3.42Å; E59-R63 PolarHBondContact O-N 3.14Å; R63-F65 VanDerWaalsContact C-N 3.34Å; R63-F65 PolarHBondContact O-N 3Å; R63-K66 PolarHBondContact O-N 3.34Å; R63-D67 WeakPolarHBondContact CG-OD2 3.12Å; R63-D67 WeakPolarHBondContact O-CB 3.27Å; R63-D67 PolarHBondContact O-N 3.31Å; R63-D318 IonicContact CZ-OD1 2.9Å; R63-D318 IonicContact CZ-OD2 3.82Å; R63-D318 IonicContact NH1-OD1 3.99Å; R63-D318 PolarHBondContact NH1-OD1 3.18Å; R63-D318 IonicContact NH2-OD1 3.22Å; R63-D318 PolarHBondContact NH2-OD1 3.11Å; R63-D318 IonicContact NH2-OD2 3.83Å; R63-D318 PolarHBondContact NH2-OD2 2.93Å
64W96.7Very high93.9Very high2 Ų254.8 Ų54.81%0.00827%0.272CS..Hα-helixtrans-63.3-39.4-178-72.4-12000113.5I56 R60 Q61 S68 P281 V283 I311 G314 T315 D318I56-W64 HydrophobicContact CD1-CD2 4.37Å; I56-W64 HydrophobicContact CD1-CE3 3.42Å; I56-W64 VanDerWaalsContact CD1-CE3 3.42Å; I56-W64 HydrophobicContact CD1-CH2 4.15Å; I56-W64 HydrophobicContact CD1-CZ3 3.28Å; R60-W64 HydrophobicContact CG-CD2 3.85Å; R60-W64 HydrophobicContact CG-CE3 4.17Å; R60-W64 HydrophobicContact CG-CG 4.45Å; R60-W64 HydrophobicContact CG-CH2 4.1Å; R60-W64 HydrophobicContact CG-CZ2 3.75Å; R60-W64 HydrophobicContact CG-CZ3 4.29Å; R60-W64 WeakPolarHBondContact O-CB 3.34Å; R60-W64 PolarHBondContact O-N 3.43Å; Q61-W64 PolarHBondContact O-N 3.43Å; W64-S68 WeakPolarHBondContact O-CB 3.4Å; W64-S68 PolarHBondContact O-N 2.88Å; W64-S68 PolarHBondContact O-OG 3.43Å; W64-P281 HydrophobicContact CH2-CB 4.48Å; W64-P281 HydrophobicContact CZ3-CB 4.23Å; W64-P281 HydrophobicContact CZ3-CG 4.21Å; W64-V283 HydrophobicContact CH2-CB 4.15Å; W64-V283 HydrophobicContact CH2-CG2 3.68Å; W64-V283 HydrophobicContact CZ2-CB 4.01Å; W64-V283 HydrophobicContact CZ2-CG1 4.4Å; W64-V283 HydrophobicContact CZ2-CG2 3.83Å; W64-I311 HydrophobicContact CB-CB 4.24Å; W64-I311 HydrophobicContact CB-CG2 4.24Å; W64-I311 HydrophobicContact CE3-CD1 4.05Å; W64-I311 HydrophobicContact CZ3-CD1 4.43Å; W64-G314 VanDerWaalsContact CD1-C 3.47Å; W64-T315 HydrophobicContact CD2-CG2 3.64Å; W64-T315 HydrophobicContact CE3-CG2 3.69Å; W64-T315 HydrophobicContact CG-CG2 4.18Å; W64-T315 HydrophobicContact CH2-CG2 4.07Å; W64-T315 HydrophobicContact CZ2-CG2 4.03Å; W64-T315 HydrophobicContact CZ3-CG2 3.91Å; W64-D318 VanDerWaalsContact NE1-CG 3.34Å; W64-D318 PolarHBondContact NE1-OD2 2.82Å
65F95.3Very high95.1Very high13 Ų1354.8 Ų54.86%0.05727%0.271CS..Hα-helixtrans-66.4-50.6174.5-177.4-123000111.1F53 Q61 R63 D67 S68 F69 W106 L109 V110 T310F53-F65 HydrophobicContact CE1-CB 3.8Å; F53-F65 HydrophobicContact CE1-CD2 4.36Å; F53-F65 HydrophobicContact CE1-CG 4.33Å; F53-F65 HydrophobicContact CE2-CB 4.48Å; F53-F65 AromaticContact CE2-CD2 3.93Å; F53-F65 HydrophobicContact CE2-CD2 3.93Å; F53-F65 HydrophobicContact CE2-CE2 4.31Å; F53-F65 HydrophobicContact CE2-CG 4.17Å; F53-F65 HydrophobicContact CZ-CB 3.52Å; F53-F65 AromaticContact CZ-CD2 3.33Å; F53-F65 HydrophobicContact CZ-CD2 3.33Å; F53-F65 HydrophobicContact CZ-CE2 4.12Å; F53-F65 AromaticContact CZ-CG 3.54Å; F53-F65 HydrophobicContact CZ-CG 3.54Å; Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 3.27Å; R63-F65 VanDerWaalsContact C-N 3.34Å; R63-F65 PolarHBondContact O-N 3Å; F65-D67 PolarHBondContact O-N 3.49Å; F65-S68 PolarHBondContact O-N 3.09Å; F65-F69 HydrophobicContact CE2-CB 4.43Å; F65-F69 HydrophobicContact CE2-CD2 4.38Å; F65-F69 HydrophobicContact CZ-CB 4.39Å; F65-F69 AromaticContact CZ-CD2 3.95Å; F65-F69 HydrophobicContact CZ-CD2 3.95Å; F65-F69 HydrophobicContact CZ-CG 4.41Å; F65-F69 VanDerWaalsContact O-CB 3.25Å; F65-F69 WeakPolarHBondContact O-CB 3.46Å; F65-F69 PolarHBondContact O-N 2.95Å; F65-W106 HydrophobicContact CD1-CB 3.73Å; F65-W106 HydrophobicContact CE1-CB 3.64Å; F65-W106 HydrophobicContact CZ-CB 4.43Å; F65-L109 HydrophobicContact CD1-CB 3.81Å; F65-L109 HydrophobicContact CD1-CD1 3.63Å; F65-L109 HydrophobicContact CD1-CG 4.36Å; F65-L109 HydrophobicContact CE1-CB 3.71Å; F65-L109 HydrophobicContact CE1-CD1 4.38Å; F65-V110 HydrophobicContact CE1-CG1 3.92Å; F65-V110 HydrophobicContact CZ-CG1 3.77Å; F65-T310 HydrophobicContact CD2-CG2 3.72Å; F65-T310 HydrophobicContact CE2-CG2 3.71Å
66K96.5Very high95.8Very high90 Ų9049.9 Ų49.939%0.39125%0.247SC..Hα-helixtrans-56.5-50.5-178.1-176.2-179.7-175.3-56.60111.4R62 R63 S68 F69 D70 L109R62-K66 WeakPolarHBondContact O-CB 3.37Å; R62-K66 PolarHBondContact O-N 3.3Å; R63-K66 PolarHBondContact O-N 3.34Å; K66-S68 PolarHBondContact O-N 3.02Å; K66-F69 PolarHBondContact O-N 3.38Å; K66-D70 IonicContact NZ-OD2 2.7Å; K66-D70 PolarHBondContact NZ-OD2 2.97Å; K66-D70 WeakPolarHBondContact O-CB 3.33Å; K66-D70 VanDerWaalsContact O-CG 3.22Å; K66-D70 PolarHBondContact O-N 3.32Å; K66-L109 HydrophobicContact CB-CD1 4.19Å; K66-L109 HydrophobicContact CB-CD2 4.08Å; K66-L109 HydrophobicContact CD-CD2 4.07Å; K66-L109 HydrophobicContact CG-CD2 4.02Å
67D97.9Very high96.3Very high46 Ų4655.7 Ų55.725%0.24627%0.274CS..Hα-helixtrans-61.8-36.4-178.4-65.5-18000111.7R63 F65 H71 L317R63-D67 WeakPolarHBondContact CG-OD2 3.12Å; R63-D67 WeakPolarHBondContact O-CB 3.27Å; R63-D67 PolarHBondContact O-N 3.31Å; F65-D67 PolarHBondContact O-N 3.49Å; D67-H71 WeakPolarHBondContact O-CB 3.33Å; D67-H71 PolarHBondContact O-N 3.32Å; D67-L317 HydrophobicContact CB-CD1 3.93Å
68S97.4Very high96.5Very high0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-75.1-39.9177-50.70000113.2W64 F65 K66 L72 T310 I311 W313 G314W64-S68 WeakPolarHBondContact O-CB 3.4Å; W64-S68 PolarHBondContact O-N 2.88Å; W64-S68 PolarHBondContact O-OG 3.43Å; F65-S68 PolarHBondContact O-N 3.09Å; K66-S68 PolarHBondContact O-N 3.02Å; S68-L72 WeakPolarHBondContact O-CB 3.34Å; S68-L72 WeakPolarHBondContact O-CG 3.35Å; S68-L72 PolarHBondContact O-N 3.3Å; S68-T310 WeakPolarHBondContact CB-O 3.3Å; S68-I311 VanDerWaalsContact OG-C 3.23Å; S68-I311 VanDerWaalsContact OG-CA 3.28Å; S68-I311 WeakPolarHBondContact OG-CA 3.47Å; S68-W313 PolarHBondContact OG-N 3.49Å; S68-G314 PolarHBondContact OG-N 3.31Å
69F96.8Very high96.7Very high9 Ų957 Ų574%0.03927%0.274CS..Hα-helixtrans-65-49177.4-174.7-94.6000110.6F65 K66 H71 L72 L73 L109 V110 I111 V136F65-F69 HydrophobicContact CE2-CB 4.43Å; F65-F69 HydrophobicContact CE2-CD2 4.38Å; F65-F69 HydrophobicContact CZ-CB 4.39Å; F65-F69 AromaticContact CZ-CD2 3.95Å; F65-F69 HydrophobicContact CZ-CD2 3.95Å; F65-F69 HydrophobicContact CZ-CG 4.41Å; F65-F69 VanDerWaalsContact O-CB 3.25Å; F65-F69 WeakPolarHBondContact O-CB 3.46Å; F65-F69 PolarHBondContact O-N 2.95Å; K66-F69 PolarHBondContact O-N 3.38Å; F69-H71 VanDerWaalsContact C-N 3.3Å; F69-H71 PolarHBondContact O-N 2.87Å; F69-L72 PolarHBondContact O-N 3.2Å; F69-L73 HydrophobicContact CD1-CD2 4.44Å; F69-L73 HydrophobicContact CE1-CB 4.41Å; F69-L73 HydrophobicContact CE1-CD2 3.84Å; F69-L73 WeakPolarHBondContact O-CB 3.45Å; F69-L73 PolarHBondContact O-N 3.36Å; F69-L109 WeakPolarHBondContact CD1-O 3.4Å; F69-L109 WeakPolarHBondContact CE1-O 3.3Å; F69-V110 HydrophobicContact CE2-CG1 4.31Å; F69-I111 HydrophobicContact CE1-CG1 4.49Å; F69-I111 HydrophobicContact CZ-CD1 4.31Å; F69-I111 HydrophobicContact CZ-CG1 4.2Å; F69-V136 HydrophobicContact CD2-CG2 4.35Å; F69-V136 HydrophobicContact CE2-CG2 3.91Å; F69-V136 HydrophobicContact CZ-CG2 4.28Å
70D98.1Very high96.8Very high67 Ų6753.7 Ų53.736%0.35826%0.259SS..Hα-helixtrans-59.7-42.5178.4-70.8-9.1000111.1K66 A74K66-D70 IonicContact NZ-OD2 2.7Å; K66-D70 PolarHBondContact NZ-OD2 2.97Å; K66-D70 WeakPolarHBondContact O-CB 3.33Å; K66-D70 VanDerWaalsContact O-CG 3.22Å; K66-D70 PolarHBondContact O-N 3.32Å; D70-A74 WeakPolarHBondContact O-CB 3.4Å; D70-A74 PolarHBondContact O-N 2.85Å
71H98.3Very high96.9Very high37 Ų3749.5 Ų49.517%0.17125%0.246CC..Hα-helixtrans-60.6-52.6176.3-178.774.1000112.2D67 F69 L73 A74 I75 Y143 R150 W313D67-H71 WeakPolarHBondContact O-CB 3.33Å; D67-H71 PolarHBondContact O-N 3.32Å; F69-H71 VanDerWaalsContact C-N 3.3Å; F69-H71 PolarHBondContact O-N 2.87Å; H71-L73 VanDerWaalsContact C-N 3.33Å; H71-L73 PolarHBondContact O-N 2.86Å; H71-A74 PolarHBondContact O-N 2.82Å; H71-I75 VanDerWaalsContact NE2-CD1 3.29Å; H71-I75 WeakPolarHBondContact NE2-CD1 3.43Å; H71-I75 PolarHBondContact O-N 3Å; H71-Y143 PolarHBondContact NE2-OH 3.43Å; H71-R150 PolarHBondContact CE1-NH1 2.99Å; H71-R150 VanDerWaalsContact CE1-NH1 3.31Å; H71-W313 HydrophobicContact CB-CB 4.26Å; H71-W313 HydrophobicContact CB-CD2 4.32Å; H71-W313 HydrophobicContact CB-CG 4.02Å; H71-W313 AromaticContact CD2-CD1 3.34Å; H71-W313 AromaticContact CD2-CD2 3.51Å; H71-W313 AromaticContact CD2-CE2 3.18Å; H71-W313 AromaticContact CD2-CG 3.63Å; H71-W313 AromaticContact CD2-CZ2 3.77Å; H71-W313 AromaticContact CD2-NE1 3.06Å; H71-W313 PolarHBondContact CD2-NE1 3.38Å; H71-W313 AromaticContact CE1-CE2 3.69Å; H71-W313 AromaticContact CE1-CH2 3.7Å; H71-W313 AromaticContact CE1-CZ2 3.52Å; H71-W313 AromaticContact CE1-CZ3 3.99Å; H71-W313 AromaticContact CG-CD1 3.88Å; H71-W313 AromaticContact CG-CD2 3.6Å; H71-W313 AromaticContact CG-CE2 3.76Å; H71-W313 AromaticContact CG-CG 3.72Å; H71-W313 AromaticContact CG-NE1 3.91Å; H71-W313 AromaticContact ND1-CD2 3.91Å; H71-W313 AromaticContact ND1-CE3 3.97Å; H71-W313 AromaticContact NE2-CD2 3.78Å; H71-W313 AromaticContact NE2-CE2 3.11Å; H71-W313 AromaticContact NE2-CH2 3.82Å; H71-W313 AromaticContact NE2-CZ2 3.14Å; H71-W313 WeakPolarHBondContact NE2-CZ2 3.49Å; H71-W313 AromaticContact NE2-NE1 3.37Å; H71-W313 PolarHBondContact NE2-NE1 2.96Å
72L97.5Very high96.9Very high12 Ų1252.7 Ų52.76%0.06327%0.269CS..Hα-helixtrans-68.8-34.1-178.5-67.3174.5000111.8S68 F69 I75 A76 V86 V136 C138 Y143S68-L72 WeakPolarHBondContact O-CB 3.34Å; S68-L72 WeakPolarHBondContact O-CG 3.35Å; S68-L72 PolarHBondContact O-N 3.3Å; F69-L72 PolarHBondContact O-N 3.2Å; L72-I75 PolarHBondContact O-N 3.48Å; L72-A76 WeakPolarHBondContact O-CB 3.45Å; L72-A76 PolarHBondContact O-N 3.06Å; L72-V86 HydrophobicContact CB-CG1 4.05Å; L72-V86 HydrophobicContact CD2-CG1 4.17Å; L72-V86 HydrophobicContact CD2-CG2 4.19Å; L72-V86 VanDerWaalsContact O-CG1 3.3Å; L72-V86 WeakPolarHBondContact O-CG1 3.49Å; L72-V136 HydrophobicContact CB-CB 4.28Å; L72-V136 HydrophobicContact CB-CG1 3.79Å; L72-C138 HydrophobicContact CD1-CB 4.28Å; L72-C138 HydrophobicContact CD2-CB 4.31Å; L72-Y143 HydrophobicContact CD2-CE1 4.26Å; L72-Y143 HydrophobicContact CD2-CE2 4.2Å
73L97.6Very high96.9Very high26 Ų2654.6 Ų54.614%0.13628%0.284CS..Hα-helixtrans-63.7-43.4175.2179.461.3000111.2F69 H71 I75 A76 Q77 L88 I111 V136F69-L73 HydrophobicContact CD1-CD2 4.44Å; F69-L73 HydrophobicContact CE1-CB 4.41Å; F69-L73 HydrophobicContact CE1-CD2 3.84Å; F69-L73 WeakPolarHBondContact O-CB 3.45Å; F69-L73 PolarHBondContact O-N 3.36Å; H71-L73 VanDerWaalsContact C-N 3.33Å; H71-L73 PolarHBondContact O-N 2.86Å; L73-I75 VanDerWaalsContact C-N 3.27Å; L73-I75 PolarHBondContact O-N 3.11Å; L73-A76 PolarHBondContact O-N 3.43Å; L73-Q77 HydrophobicContact CD1-CG 4.11Å; L73-Q77 WeakPolarHBondContact O-CB 3.44Å; L73-Q77 WeakPolarHBondContact O-CG 3.45Å; L73-Q77 PolarHBondContact O-N 3.14Å; L73-L88 HydrophobicContact CD1-CD2 3.66Å; L73-I111 HydrophobicContact CD1-CD1 3.9Å; L73-I111 HydrophobicContact CD2-CD1 4.33Å; L73-V136 HydrophobicContact CB-CG2 4.16Å; L73-V136 HydrophobicContact CD1-CG2 4.3Å
74A98.4Very high96.9Very high58 Ų5849.3 Ų49.348%0.47926%0.264SS..Hα-helixtrans-59.6-38.9175.600000111.8D70 H71 Q77 S78D70-A74 WeakPolarHBondContact O-CB 3.4Å; D70-A74 PolarHBondContact O-N 2.85Å; H71-A74 PolarHBondContact O-N 2.82Å; A74-Q77 PolarHBondContact O-N 3.02Å; A74-S78 WeakPolarHBondContact O-CB 3.48Å; A74-S78 PolarHBondContact O-N 3.06Å
75I98.2Very high96.8Very high11 Ų1149.3 Ų49.36%0.05627%0.265CS..Hα-helixtrans-66.4-48173.9-63.6177.3000110.8H71 L72 L73 Q77 S78 S81 A84 V86 Y143 W146H71-I75 VanDerWaalsContact NE2-CD1 3.29Å; H71-I75 WeakPolarHBondContact NE2-CD1 3.43Å; H71-I75 PolarHBondContact O-N 3Å; L72-I75 PolarHBondContact O-N 3.48Å; L73-I75 VanDerWaalsContact C-N 3.27Å; L73-I75 PolarHBondContact O-N 3.11Å; I75-Q77 PolarHBondContact O-N 3.32Å; I75-Q77 VanDerWaalsContact O-N 3.16Å; I75-S78 WeakPolarHBondContact O-CB 3.36Å; I75-S78 PolarHBondContact O-N 2.91Å; I75-S78 PolarHBondContact O-OG 3.16Å; I75-S81 WeakPolarHBondContact O-CB 3.47Å; I75-A84 HydrophobicContact CG2-CB 3.59Å; I75-V86 HydrophobicContact CB-CB 4.37Å; I75-V86 HydrophobicContact CB-CG1 4.41Å; I75-V86 HydrophobicContact CG2-CB 3.82Å; I75-V86 HydrophobicContact CG2-CG1 4.39Å; I75-V86 HydrophobicContact CG2-CG2 3.97Å; I75-Y143 HydrophobicContact CD1-CE2 3.8Å; I75-W146 HydrophobicContact CD1-CH2 3.82Å; I75-W146 HydrophobicContact CD1-CZ3 3.87Å; I75-W146 HydrophobicContact CG1-CH2 4.47Å
76A96.9Very high96.8Very high16 Ų1648.7 Ų48.713%0.13226%0.262CS..Hα-helixtrans-58.9-26.8179.600000113.2L72 L73 V86 L88 V136L72-A76 WeakPolarHBondContact O-CB 3.45Å; L72-A76 PolarHBondContact O-N 3.06Å; L73-A76 PolarHBondContact O-N 3.43Å; A76-V86 HydrophobicContact CB-CG1 4.18Å; A76-L88 HydrophobicContact CB-CG 4.44Å; A76-V136 HydrophobicContact CB-CG1 4.38Å
77Q97.4Very high96.7Very high137 Ų13746.4 Ų46.464%0.6425%0.253SS*.THydrogen-bonded Turntrans-94.11177.8-68177.6-25.800113.6L73 A74 I75L73-Q77 HydrophobicContact CD1-CG 4.11Å; L73-Q77 WeakPolarHBondContact O-CB 3.44Å; L73-Q77 WeakPolarHBondContact O-CG 3.45Å; L73-Q77 PolarHBondContact O-N 3.14Å; A74-Q77 PolarHBondContact O-N 3.02Å; I75-Q77 PolarHBondContact O-N 3.32Å; I75-Q77 VanDerWaalsContact O-N 3.16Å
78S97.9Very high96.6Very high42 Ų4248 Ų4829%0.29426%0.262SS..SBendtrans-105.4167.5-178.978.40000112.3A74 I75 H80 S81A74-S78 WeakPolarHBondContact O-CB 3.48Å; A74-S78 PolarHBondContact O-N 3.06Å; I75-S78 WeakPolarHBondContact O-CB 3.36Å; I75-S78 PolarHBondContact O-N 2.91Å; I75-S78 PolarHBondContact O-OG 3.16Å; S78-H80 PolarHBondContact O-N 3.18Å; S78-H80 VanDerWaalsContact O-N 3.11Å; S78-H80 PolarHBondContact OG-N 2.97Å; S78-H80 VanDerWaalsContact OG-N 3.16Å; S78-S81 WeakPolarHBondContact O-CB 3.29Å; S78-S81 PolarHBondContact O-N 3.28Å
79Q96.9Very high96.5Very high167 Ų16748.3 Ų48.378%0.7826%0.264SS*.THydrogen-bonded Turntrans-60.9-15.217166.8-173.7-9.500114S81 P82Q79-S81 VanDerWaalsContact C-N 3.34Å; Q79-P82 WeakPolarHBondContact O-CD 3.26Å
80H96.6Very high96.6Very high80 Ų8050 Ų5037%0.3728%0.276SS..THydrogen-bonded Turntrans-83.9-7.2179.2-58-60.8000113.5S78 D83 A84 W146S78-H80 PolarHBondContact O-N 3.18Å; S78-H80 VanDerWaalsContact O-N 3.11Å; S78-H80 PolarHBondContact OG-N 2.97Å; S78-H80 VanDerWaalsContact OG-N 3.16Å; H80-D83 PolarHBondContact O-N 2.89Å; H80-A84 VanDerWaalsContact O-CB 3.26Å; H80-A84 WeakPolarHBondContact O-CB 3.14Å; H80-A84 PolarHBondContact O-N 3.36Å; H80-W146 HydrophobicContact CB-CZ2 4.32Å
81S95.9Very high96.5Very high19 Ų1947 Ų4713%0.13326%0.262CS..Hα-helixtrans-50.7-46.9-178.2167.60000113.9I75 S78 Q79 G85 V86I75-S81 WeakPolarHBondContact O-CB 3.47Å; S78-S81 WeakPolarHBondContact O-CB 3.29Å; S78-S81 PolarHBondContact O-N 3.28Å; Q79-S81 VanDerWaalsContact C-N 3.34Å; S81-G85 PolarHBondContact O-N 3.25Å; S81-G85 VanDerWaalsContact O-N 3.1Å; S81-V86 WeakPolarHBondContact CB-O 3.3Å; S81-V86 PolarHBondContact O-N 3.37Å; S81-V86 PolarHBondContact OG-O 3.38Å
82P92.7Very high96.5Very high93 Ų9346.8 Ų46.860%0.60426%0.26SS*.Hα-helixtrans-63.7-46.6179.8-22.134.6000112.8Q79 A84 G85Q79-P82 WeakPolarHBondContact O-CD 3.26Å; P82-A84 PolarHBondContact O-N 2.97Å; P82-G85 PolarHBondContact O-N 2.76Å
83D95.1Very high96.4Very high111 Ų11147 Ų4759%0.59426%0.261SS*.Hα-helixtrans-69.6-35.3-177.2-58.5-29.7000112.1H80 G85H80-D83 PolarHBondContact O-N 2.89Å; D83-G85 VanDerWaalsContact C-N 3.31Å
84A96.3Very high96.4Very high0 Ų045.8 Ų45.80%025%0.254CS..Hα-helixtrans-80.1-12.7179.400000112.8I75 H80 P82 V86 Y143 W146I75-A84 HydrophobicContact CG2-CB 3.59Å; H80-A84 VanDerWaalsContact O-CB 3.26Å; H80-A84 WeakPolarHBondContact O-CB 3.14Å; H80-A84 PolarHBondContact O-N 3.36Å; P82-A84 PolarHBondContact O-N 2.97Å; A84-V86 VanDerWaalsContact C-N 3.26Å; A84-V86 HydrophobicContact CB-CG2 3.94Å; A84-V86 WeakPolarHBondContact O-CG2 3.21Å; A84-V86 PolarHBondContact O-N 3.03Å; A84-Y143 HydrophobicContact CB-CD2 4.15Å; A84-Y143 WeakPolarHBondContact O-CA 3.18Å; A84-Y143 VanDerWaalsContact O-CB 3.3Å; A84-Y143 WeakPolarHBondContact O-CB 3.4Å; A84-Y143 WeakPolarHBondContact O-CD2 3.49Å; A84-Y143 PolarHBondContact O-N 3.49Å; A84-W146 HydrophobicContact CB-CB 4.44Å; A84-W146 HydrophobicContact CB-CD2 3.91Å; A84-W146 HydrophobicContact CB-CE3 4.43Å; A84-W146 HydrophobicContact CB-CG 3.87Å
85G94.6Very high96.3Very high1 Ų144.4 Ų44.41%0.0124%0.237CC..THydrogen-bonded Turntrans61.333.2-173.700000113.2S81 P82 D83 E139S81-G85 PolarHBondContact O-N 3.25Å; S81-G85 VanDerWaalsContact O-N 3.1Å; P82-G85 PolarHBondContact O-N 2.76Å; D83-G85 VanDerWaalsContact C-N 3.31Å; G85-E139 PolarHBondContact O-N 3.29Å
86V95.9Very high96.2Very high0 Ų049.8 Ų49.80%026%0.26CS..EExtended strand (participates in β ladder)trans-114.1113.9-178.2-172.80000109.4L72 I75 A76 S81 A84 V136 K137 C138 Y143L72-V86 HydrophobicContact CB-CG1 4.05Å; L72-V86 HydrophobicContact CD2-CG1 4.17Å; L72-V86 HydrophobicContact CD2-CG2 4.19Å; L72-V86 VanDerWaalsContact O-CG1 3.3Å; L72-V86 WeakPolarHBondContact O-CG1 3.49Å; I75-V86 HydrophobicContact CB-CB 4.37Å; I75-V86 HydrophobicContact CB-CG1 4.41Å; I75-V86 HydrophobicContact CG2-CB 3.82Å; I75-V86 HydrophobicContact CG2-CG1 4.39Å; I75-V86 HydrophobicContact CG2-CG2 3.97Å; A76-V86 HydrophobicContact CB-CG1 4.18Å; S81-V86 WeakPolarHBondContact CB-O 3.3Å; S81-V86 PolarHBondContact O-N 3.37Å; S81-V86 PolarHBondContact OG-O 3.38Å; A84-V86 VanDerWaalsContact C-N 3.26Å; A84-V86 HydrophobicContact CB-CG2 3.94Å; A84-V86 WeakPolarHBondContact O-CG2 3.21Å; A84-V86 PolarHBondContact O-N 3.03Å; V86-V136 HydrophobicContact CG1-CG1 3.29Å; V86-K137 WeakPolarHBondContact CA-O 3.45Å; V86-C138 HydrophobicContact CG2-CB 4.35Å; V86-Y143 HydrophobicContact CG2-CD2 3.64Å; V86-Y143 HydrophobicContact CG2-CE2 3.91Å; V86-Y143 HydrophobicContact CG2-CG 4.41Å
87I94.9Very high96.2Very high42 Ų4254.5 Ų54.522%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-131.2152.9-172.662172.7000112V136 K137 V225I87-V136 CarbonylContact O-C 3.59Å; I87-V136 WeakPolarHBondContact O-CA 3.37Å; I87-K137 HydrophobicContact CG1-CB 4.04Å; I87-K137 PolarHBondContact N-O 3.2Å; I87-K137 PolarHBondContact O-N 2.87Å; I87-V225 HydrophobicContact CD1-CG2 4.06Å; I87-V225 HydrophobicContact CG2-CG2 3.9Å
88L95.9Very high96.2Very high81 Ų8151.4 Ų51.442%0.42427%0.27SS..EExtended strand (participates in β ladder)trans-68.3138166.1-70174.6000110L73 A76 I111 T134 V136L73-L88 HydrophobicContact CD1-CD2 3.66Å; A76-L88 HydrophobicContact CB-CG 4.44Å; L88-I111 HydrophobicContact CD2-CD1 4.04Å; L88-T134 HydrophobicContact CB-CG2 4.32Å; L88-T134 HydrophobicContact CD2-CG2 4.2Å; L88-V136 HydrophobicContact CD2-CG2 4.3Å
89S95.7Very high96Very high6 Ų650.8 Ų50.84%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-134.9113.8179.8-168.80000110T134 T135 F211S89-T134 WeakPolarHBondContact O-CA 3.28Å; S89-T135 PolarHBondContact N-O 3.16Å; S89-T135 PolarHBondContact O-N 2.96Å; S89-F211 WeakPolarHBondContact O-CE1 3.48Å
90S97.3Very high95.7Very high43 Ų4348.1 Ų48.130%0.30127%0.271SS..EExtended strand (participates in β ladder)trans-97.8145.6177.4-51.90000110.3T134 H210 F211S90-T134 WeakPolarHBondContact CB-OG1 3.23Å; S90-T134 PolarHBondContact OG-OG1 3.42Å; S90-H210 CarbonylContact O-C 3.55Å; S90-H210 WeakPolarHBondContact O-CA 3.26Å; S90-H210 WeakPolarHBondContact O-CB 3.31Å; S90-H210 PolarHBondContact O-ND1 3.06Å; S90-H210 VanDerWaalsContact O-ND1 3.15Å; S90-F211 VanDerWaalsContact C-CD1 3.42Å; S90-F211 PolarHBondContact O-N 3.4Å; S90-F211 VanDerWaalsContact O-N 3.07Å
91G97Very high95.4Very high6 Ų648.7 Ų48.76%0.06228%0.281CS..EExtended strand (participates in β ladder)trans172.4-158.7-179.700000114.1A132 F133 F211G91-A132 WeakPolarHBondContact O-CA 3.41Å; G91-F133 PolarHBondContact N-O 3.48Å; G91-F133 PolarHBondContact O-N 3.28Å; G91-F133 VanDerWaalsContact O-N 3.17Å; G91-F211 VanDerWaalsContact C-CZ 3.43Å; G91-F211 CarbonylContact C-O 3.55Å; G91-F211 VanDerWaalsContact CA-CE1 3.43Å; G91-F211 VanDerWaalsContact CA-O 3.23Å; G91-F211 WeakPolarHBondContact CA-O 3.36Å
92W97.1Very high95.3Very high31 Ų3153.1 Ų53.112%0.11730%0.298CS..EExtended strand (participates in β ladder)trans-129.5139.2-170.5-51.7-82.4000112.8I94 M116 F124 Q131 H210 F211 I212 R213W92-I94 HydrophobicContact CB-CG2 4.15Å; W92-M116 HydrophobicContact CB-CE 4.45Å; W92-M116 HydrophobicContact CB-SD 3.89Å; W92-M116 HydrophobicContact CG-CE 4Å; W92-M116 HydrophobicContact CG-SD 3.89Å; W92-F124 HydrophobicContact CE3-CZ 4.4Å; W92-Q131 CarbonylContact C-O 2.95Å; W92-Q131 VanDerWaalsContact CA-O 3.23Å; W92-Q131 WeakPolarHBondContact CA-O 3.33Å; W92-H210 HydrophobicContact CE3-CB 4.09Å; W92-H210 HydrophobicContact CH2-CB 3.66Å; W92-H210 AromaticContact CH2-CD2 3.63Å; W92-H210 AromaticContact CH2-CG 3.65Å; W92-H210 HydrophobicContact CZ3-CB 3.27Å; W92-H210 AromaticContact CZ3-CG 3.83Å; W92-F211 PolarHBondContact N-O 2.95Å; W92-F211 WeakPolarHBondContact O-CE2 3.47Å; W92-I212 HydrophobicContact CE3-CG1 4.05Å; W92-I212 HydrophobicContact CZ3-CG1 4.45Å; W92-I212 CarbonylContact O-C 3.59Å; W92-I212 WeakPolarHBondContact O-CA 3.37Å; W92-R213 PolarHBondContact O-N 2.89Å
93Q96.4Very high95.3Very high18 Ų1856.2 Ų56.28%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-106.8118161.2-174.2176-9.300109F95 G130 Q131 F133 R213Q93-F95 HydrophobicContact CB-CE2 4.37Å; Q93-F95 HydrophobicContact CG-CE1 4.48Å; Q93-F95 HydrophobicContact CG-CE2 3.77Å; Q93-F95 HydrophobicContact CG-CZ 3.68Å; Q93-F95 VanDerWaalsContact NE2-CZ 3.26Å; Q93-G130 CarbonylContact O-C 3.52Å; Q93-G130 VanDerWaalsContact O-CA 3.31Å; Q93-G130 WeakPolarHBondContact O-CA 3.44Å; Q93-Q131 HydrophobicContact CB-CB 4.48Å; Q93-Q131 PolarHBondContact N-O 2.82Å; Q93-Q131 PolarHBondContact O-N 2.89Å; Q93-F133 HydrophobicContact CB-CE1 4.04Å; Q93-R213 CarbonylContact C-O 3.57Å; Q93-R213 VanDerWaalsContact CA-O 3.28Å; Q93-R213 WeakPolarHBondContact CA-O 3.49Å; Q93-R213 HydrophobicContact CG-CB 4.42Å
94I97.1Very high95.1Very high0 Ų051.8 Ų51.80%028%0.279CS..EExtended strand (participates in β ladder)trans-113.4149.4-17260.7178.3000111.1W92 M116 F124 H127 I212 R213 D214 G215 L258W92-I94 HydrophobicContact CB-CG2 4.15Å; I94-M116 HydrophobicContact CG2-SD 3.96Å; I94-F124 HydrophobicContact CD1-CB 4.33Å; I94-F124 HydrophobicContact CD1-CD1 3.54Å; I94-F124 HydrophobicContact CD1-CE1 3.93Å; I94-F124 HydrophobicContact CD1-CG 3.91Å; I94-F124 HydrophobicContact CG2-CD2 3.84Å; I94-F124 HydrophobicContact CG2-CE2 4Å; I94-F124 HydrophobicContact CG2-CG 4.12Å; I94-F124 HydrophobicContact CG2-CZ 4.43Å; I94-H127 HydrophobicContact CB-CB 4.39Å; I94-I212 HydrophobicContact CD1-CG2 3.93Å; I94-R213 PolarHBondContact N-O 3.49Å; I94-D214 CarbonylContact O-C 3.42Å; I94-G215 PolarHBondContact O-N 3.37Å; I94-L258 HydrophobicContact CD1-CD1 4.41Å; I94-L258 HydrophobicContact CD1-CD2 3.87Å
95F96.9Very high94.9Very high29 Ų2953.9 Ų53.913%0.12729%0.287CS..EExtended strand (participates in β ladder)trans-136.4132.6-175.6-54.8-100000110.9Q93 E97 P99 H127 K128 F129 Q131Q93-F95 HydrophobicContact CB-CE2 4.37Å; Q93-F95 HydrophobicContact CG-CE1 4.48Å; Q93-F95 HydrophobicContact CG-CE2 3.77Å; Q93-F95 HydrophobicContact CG-CZ 3.68Å; Q93-F95 VanDerWaalsContact NE2-CZ 3.26Å; F95-E97 VanDerWaalsContact C-N 3.27Å; F95-E97 WeakPolarHBondContact CB-O 3.26Å; F95-E97 PolarHBondContact O-N 3.2Å; F95-P99 HydrophobicContact CD1-CB 4.28Å; F95-P99 HydrophobicContact CD1-CG 4.22Å; F95-P99 HydrophobicContact CD2-CG 4.32Å; F95-P99 HydrophobicContact CE1-CB 4.33Å; F95-P99 HydrophobicContact CE1-CG 4.3Å; F95-P99 HydrophobicContact CE2-CG 4.39Å; F95-P99 HydrophobicContact CG-CG 4.22Å; F95-P99 HydrophobicContact CZ-CG 4.36Å; F95-H127 CarbonylContact O-C 3.59Å; F95-H127 WeakPolarHBondContact O-CA 3.48Å; F95-H127 WeakPolarHBondContact O-CB 3.25Å; F95-K128 PolarHBondContact O-N 3.3Å; F95-F129 HydrophobicContact CB-CB 4.45Å; F95-F129 AromaticContact CD2-CD1 3.77Å; F95-F129 HydrophobicContact CD2-CD1 3.77Å; F95-F129 HydrophobicContact CE2-CD1 4.2Å; F95-F129 PolarHBondContact N-O 2.82Å; F95-F129 PolarHBondContact O-N 2.76Å; F95-Q131 HydrophobicContact CE2-CG 4.22Å
96K96.4Very high94.7Very high124 Ų12455.2 Ų55.254%0.53929%0.292SS..SBendtrans-58.5-41.7174.9-69-172.6177.6-178.90111.8K128K96-K128 WeakPolarHBondContact O-CB 3.44Å; K96-K128 WeakPolarHBondContact O-CD 3.42Å; K96-K128 VanDerWaalsContact O-CG 3.24Å; K96-K128 WeakPolarHBondContact O-CG 3.17Å; K96-K128 PolarHBondContact O-N 2.85Å
97E97Very high94.6Very high114 Ų11456.2 Ų56.253%0.53330%0.299SS..SBendtrans-118.2158175.3-63.1-57.2146.800110.9F95 P99 K128F95-E97 VanDerWaalsContact C-N 3.27Å; F95-E97 WeakPolarHBondContact CB-O 3.26Å; F95-E97 PolarHBondContact O-N 3.2Å; E97-P99 WeakPolarHBondContact O-CD 3.28Å; E97-K128 WeakPolarHBondContact OE1-CE 3.45Å; E97-K128 IonicContact OE1-NZ 2.69Å; E97-K128 PolarHBondContact OE1-NZ 2.8Å; E97-K128 WeakPolarHBondContact OE2-CD 3.15Å; E97-K128 IonicContact OE2-NZ 2.72Å; E97-K128 PolarHBondContact OE2-NZ 2.77Å
98V96.4Very high94.6Very high72 Ų7258.9 Ų58.944%0.43631%0.314SS..  trans-65.9118.9176-177.80000109K102 F129V98-K102 HydrophobicContact CG1-CD 4.38Å; V98-K102 HydrophobicContact CG1-CG 4.37Å; V98-F129 HydrophobicContact CG1-CD2 4.33Å; V98-F129 HydrophobicContact CG2-CB 4.21Å
99P93.3Very high94.5Very high29 Ų2956.3 Ų56.319%0.18830%0.3CS..  trans-69.9150.5-179.529.2-34.4000110.9F95 E97 T101 F129F95-P99 HydrophobicContact CD1-CB 4.28Å; F95-P99 HydrophobicContact CD1-CG 4.22Å; F95-P99 HydrophobicContact CD2-CG 4.32Å; F95-P99 HydrophobicContact CE1-CB 4.33Å; F95-P99 HydrophobicContact CE1-CG 4.3Å; F95-P99 HydrophobicContact CE2-CG 4.39Å; F95-P99 HydrophobicContact CG-CG 4.22Å; F95-P99 HydrophobicContact CZ-CG 4.36Å; E97-P99 WeakPolarHBondContact O-CD 3.28Å; P99-T101 VanDerWaalsContact C-N 3.25Å; P99-T101 PolarHBondContact O-N 3.12Å; P99-F129 HydrophobicContact CG-CD1 3.73Å; P99-F129 HydrophobicContact CG-CE1 3.89Å
100A91.9Very high94.5Very high111 Ų11156.5 Ų56.592%0.91730%0.301SS*.SBendtrans-55.5-43.1175.800000111.7
101T90.4Very high94.5Very high93 Ų9357.7 Ų57.757%0.57130%0.303SS*.  trans-102.597.1176.4-54.80000110.1P99 K103P99-T101 VanDerWaalsContact C-N 3.25Å; P99-T101 PolarHBondContact O-N 3.12Å; T101-K103 VanDerWaalsContact CG2-O 3.25Å; T101-K103 WeakPolarHBondContact CG2-O 3.49Å
102K93.5Very high94.5Very high112 Ų11260.2 Ų60.249%0.48733%0.329SS..SBendtrans-71.4-30.2178.1-64.6-176.6-176-177.50113.6V98 F129 Q131V98-K102 HydrophobicContact CG1-CD 4.38Å; V98-K102 HydrophobicContact CG1-CG 4.37Å; K102-F129 HydrophobicContact CB-CE1 4.43Å; K102-F129 HydrophobicContact CB-CE2 4.44Å; K102-F129 HydrophobicContact CB-CZ 3.79Å; K102-F129 HydrophobicContact CD-CE2 4.06Å; K102-F129 HydrophobicContact CD-CZ 4.25Å; K102-F129 HydrophobicContact CG-CE1 4.5Å; K102-F129 HydrophobicContact CG-CE2 4.13Å; K102-F129 HydrophobicContact CG-CZ 3.88Å; K102-Q131 PolarHBondContact O-NE2 3.34Å
103K92.6Very high94.6Very high157 Ų15760.5 Ų60.568%0.68333%0.332SS*.SBendtrans-116.495.1176.4-70.4-171.5176.6-175.60108.6T101 F113T101-K103 VanDerWaalsContact CG2-O 3.25Å; T101-K103 WeakPolarHBondContact CG2-O 3.49Å; K103-F113 HydrophobicContact CG-CE1 4.24Å
104P91.1Very high94.6Very high19 Ų1964.8 Ų64.812%0.12335%0.347CS..  trans-67.1160.3178.728.8-33.2000110.1W106 S107 F113P104-W106 HydrophobicContact CB-CD2 4.07Å; P104-W106 HydrophobicContact CB-CG 4.37Å; P104-W106 HydrophobicContact CB-CZ2 3.86Å; P104-W106 HydrophobicContact CG-CD2 3.74Å; P104-W106 HydrophobicContact CG-CE3 4.01Å; P104-W106 HydrophobicContact CG-CG 4.48Å; P104-W106 HydrophobicContact CG-CH2 3.59Å; P104-W106 HydrophobicContact CG-CZ2 3.29Å; P104-W106 HydrophobicContact CG-CZ3 3.94Å; P104-W106 PolarHBondContact O-N 3.02Å; P104-S107 WeakPolarHBondContact O-CB 3.42Å; P104-S107 PolarHBondContact O-N 3.41Å; P104-S107 PolarHBondContact O-OG 3.46Å; P104-F113 HydrophobicContact CG-CE2 4.13Å; P104-F113 HydrophobicContact CG-CZ 4.27Å
105Y90.6Very high94.7Very high43 Ų4367.9 Ų67.917%0.16937%0.365CS..THydrogen-bonded Turntrans-62.6-20.8-173.380.1-93.9000114.2F53 L58 Q61 R62 S107 D108F53-Y105 HydrophobicContact CB-CE1 3.92Å; F53-Y105 AromaticContact CD1-CZ 3.94Å; F53-Y105 WeakPolarHBondContact CD1-OH 3.48Å; F53-Y105 HydrophobicContact CD2-CE1 4.08Å; F53-Y105 AromaticContact CD2-CZ 3.85Å; F53-Y105 WeakPolarHBondContact CD2-OH 3.37Å; F53-Y105 WeakPolarHBondContact CE1-OH 3.49Å; F53-Y105 WeakPolarHBondContact CE2-OH 3.45Å; F53-Y105 AromaticContact CG-CE1 3.95Å; F53-Y105 HydrophobicContact CG-CE1 3.95Å; F53-Y105 AromaticContact CG-CZ 3.76Å; F53-Y105 WeakPolarHBondContact CG-OH 3.44Å; F53-Y105 WeakPolarHBondContact CZ-OH 3.23Å; L58-Y105 VanDerWaalsContact CD1-CB 3.47Å; L58-Y105 HydrophobicContact CD1-CD1 4.22Å; L58-Y105 HydrophobicContact CD1-CD2 3.91Å; L58-Y105 HydrophobicContact CD1-CG 3.58Å; Q61-Y105 HydrophobicContact CB-CE1 4.25Å; Q61-Y105 HydrophobicContact CB-CE2 3.9Å; R62-Y105 HydrophobicContact CG-CD2 3.49Å; R62-Y105 VanDerWaalsContact CG-CD2 3.49Å; R62-Y105 HydrophobicContact CG-CE2 3.99Å; R62-Y105 PolarHBondContact NH1-O 3.29Å; Y105-S107 VanDerWaalsContact C-N 3.35Å; Y105-D108 VanDerWaalsContact O-OD1 3.1Å
106W91.5Very high94.8Very high30 Ų3067.2 Ų67.211%0.11436%0.363CS..THydrogen-bonded Turntrans-89.7-1179.248.5-105.8000113F65 P104 D108 L109 V110 F113 F133F65-W106 HydrophobicContact CD1-CB 3.73Å; F65-W106 HydrophobicContact CE1-CB 3.64Å; F65-W106 HydrophobicContact CZ-CB 4.43Å; P104-W106 HydrophobicContact CB-CD2 4.07Å; P104-W106 HydrophobicContact CB-CG 4.37Å; P104-W106 HydrophobicContact CB-CZ2 3.86Å; P104-W106 HydrophobicContact CG-CD2 3.74Å; P104-W106 HydrophobicContact CG-CE3 4.01Å; P104-W106 HydrophobicContact CG-CG 4.48Å; P104-W106 HydrophobicContact CG-CH2 3.59Å; P104-W106 HydrophobicContact CG-CZ2 3.29Å; P104-W106 HydrophobicContact CG-CZ3 3.94Å; P104-W106 PolarHBondContact O-N 3.02Å; W106-D108 PolarHBondContact O-N 3.41Å; W106-L109 WeakPolarHBondContact O-CB 3.38Å; W106-L109 PolarHBondContact O-N 2.86Å; W106-V110 HydrophobicContact CE3-CG1 4.04Å; W106-V110 HydrophobicContact CE3-CG2 4Å; W106-V110 HydrophobicContact CZ3-CG2 4.1Å; W106-V110 PolarHBondContact O-N 3.41Å; W106-F113 HydrophobicContact CH2-CE2 4.02Å; W106-F113 AromaticContact CZ3-CD2 3.82Å; W106-F113 HydrophobicContact CZ3-CD2 3.82Å; W106-F113 AromaticContact CZ3-CE2 3.75Å; W106-F113 HydrophobicContact CZ3-CE2 3.75Å; W106-F133 HydrophobicContact CH2-CD1 4.41Å; W106-F133 AromaticContact CH2-CE1 3.83Å; W106-F133 HydrophobicContact CH2-CE1 3.83Å; W106-F133 AromaticContact CH2-CZ 3.94Å; W106-F133 HydrophobicContact CH2-CZ 3.94Å; W106-F133 HydrophobicContact CZ3-CD1 4.21Å; W106-F133 AromaticContact CZ3-CE1 3.99Å; W106-F133 HydrophobicContact CZ3-CE1 3.99Å; W106-F133 HydrophobicContact CZ3-CE2 4.29Å; W106-F133 HydrophobicContact CZ3-CG 4.46Å; W106-F133 HydrophobicContact CZ3-CZ 4.03Å
107S94.1Very high94.8Very high20 Ų2064.7 Ų64.714%0.1436%0.358CS..THydrogen-bonded Turntrans-60-32.1-174.652.90000113.8P104 Y105 F113P104-S107 WeakPolarHBondContact O-CB 3.42Å; P104-S107 PolarHBondContact O-N 3.41Å; P104-S107 PolarHBondContact O-OG 3.46Å; Y105-S107 VanDerWaalsContact C-N 3.35Å; S107-F113 WeakPolarHBondContact O-CB 3.13Å
108D94.1Very high94.8Very high99 Ų9965.5 Ų65.553%0.52937%0.366SS..THydrogen-bonded Turntrans-87-7.417764.1-38.8000113.7R62 Y105 W106R62-D108 IonicContact CZ-OD1 3.67Å; R62-D108 IonicContact CZ-OD2 3.37Å; R62-D108 IonicContact NH1-OD1 3.89Å; R62-D108 PolarHBondContact NH1-OD1 2.83Å; R62-D108 IonicContact NH1-OD2 3.17Å; R62-D108 PolarHBondContact NH1-OD2 3.34Å; R62-D108 IonicContact NH2-OD1 2.68Å; R62-D108 PolarHBondContact NH2-OD1 2.91Å; R62-D108 IonicContact NH2-OD2 2.69Å; R62-D108 PolarHBondContact NH2-OD2 3.04Å; Y105-D108 VanDerWaalsContact O-OD1 3.1Å; W106-D108 PolarHBondContact O-N 3.41Å
109L94.7Very high94.9Very high26 Ų2672.5 Ų72.514%0.13639%0.385CS..THydrogen-bonded Turntrans-94.1-28178.4-61.9175.9000111.9F65 K66 F69 W106F65-L109 HydrophobicContact CD1-CB 3.81Å; F65-L109 HydrophobicContact CD1-CD1 3.63Å; F65-L109 HydrophobicContact CD1-CG 4.36Å; F65-L109 HydrophobicContact CE1-CB 3.71Å; F65-L109 HydrophobicContact CE1-CD1 4.38Å; K66-L109 HydrophobicContact CB-CD1 4.19Å; K66-L109 HydrophobicContact CB-CD2 4.08Å; K66-L109 HydrophobicContact CD-CD2 4.07Å; K66-L109 HydrophobicContact CG-CD2 4.02Å; F69-L109 WeakPolarHBondContact CD1-O 3.4Å; F69-L109 WeakPolarHBondContact CE1-O 3.3Å; W106-L109 WeakPolarHBondContact O-CB 3.38Å; W106-L109 PolarHBondContact O-N 2.86Å
110V95.4Very high95.1Very high11 Ų1173.2 Ų73.27%0.06739%0.385CS..SBendtrans-85.6163173.4-59.70000111.8F65 F69 W106 F113 F133F65-V110 HydrophobicContact CE1-CG1 3.92Å; F65-V110 HydrophobicContact CZ-CG1 3.77Å; F69-V110 HydrophobicContact CE2-CG1 4.31Å; W106-V110 HydrophobicContact CE3-CG1 4.04Å; W106-V110 HydrophobicContact CE3-CG2 4Å; W106-V110 HydrophobicContact CZ3-CG2 4.1Å; W106-V110 PolarHBondContact O-N 3.41Å; V110-F113 HydrophobicContact CG2-CB 3.93Å; V110-F113 HydrophobicContact CG2-CD2 4.15Å; V110-F133 HydrophobicContact CB-CD2 4.17Å; V110-F133 HydrophobicContact CG1-CD2 4.34Å; V110-F133 HydrophobicContact CG2-CB 3.83Å; V110-F133 HydrophobicContact CG2-CD2 4.01Å; V110-F133 HydrophobicContact CG2-CG 4.08Å
111I97.5Very high95.3Very high68 Ų6869.4 Ų69.435%0.34935%0.349SS..EExtended strand (participates in β ladder)trans-85123.5-173.4-61.9163.1000110.2F69 L73 L88 F113 T134F69-I111 HydrophobicContact CE1-CG1 4.49Å; F69-I111 HydrophobicContact CZ-CD1 4.31Å; F69-I111 HydrophobicContact CZ-CG1 4.2Å; L73-I111 HydrophobicContact CD1-CD1 3.9Å; L73-I111 HydrophobicContact CD2-CD1 4.33Å; L88-I111 HydrophobicContact CD2-CD1 4.04Å; I111-F113 PolarHBondContact O-N 2.75Å; I111-T134 HydrophobicContact CB-CG2 4.43Å; I111-T134 PolarHBondContact N-O 3.12Å; I111-T134 PolarHBondContact O-N 2.86Å
112G97.3Very high95.6Very high59 Ų5973 Ų7361%0.60836%0.357SS*.EExtended strand (participates in β ladder)trans66.633.4169.100000114.7R114G112-R114 PolarHBondContact O-N 3.02Å
113F98Very high95.7Very high37 Ų3772.7 Ų72.716%0.16235%0.353CS..EExtended strand (participates in β ladder)trans-58.5132.2177.4-177.1-84.9000112.3K103 P104 W106 S107 V110 I111 Q131 A132 F133K103-F113 HydrophobicContact CG-CE1 4.24Å; P104-F113 HydrophobicContact CG-CE2 4.13Å; P104-F113 HydrophobicContact CG-CZ 4.27Å; W106-F113 HydrophobicContact CH2-CE2 4.02Å; W106-F113 AromaticContact CZ3-CD2 3.82Å; W106-F113 HydrophobicContact CZ3-CD2 3.82Å; W106-F113 AromaticContact CZ3-CE2 3.75Å; W106-F113 HydrophobicContact CZ3-CE2 3.75Å; S107-F113 WeakPolarHBondContact O-CB 3.13Å; V110-F113 HydrophobicContact CG2-CB 3.93Å; V110-F113 HydrophobicContact CG2-CD2 4.15Å; I111-F113 PolarHBondContact O-N 2.75Å; F113-Q131 HydrophobicContact CE2-CB 3.91Å; F113-Q131 HydrophobicContact CE2-CG 4Å; F113-Q131 HydrophobicContact CZ-CB 4.05Å; F113-Q131 HydrophobicContact CZ-CG 3.69Å; F113-A132 WeakPolarHBondContact CA-O 3.48Å; F113-F133 HydrophobicContact CB-CB 4.31Å; F113-F133 HydrophobicContact CD2-CB 4.14Å; F113-F133 HydrophobicContact CD2-CD1 4.15Å; F113-F133 HydrophobicContact CD2-CG 4.37Å; F113-F133 HydrophobicContact CE2-CD1 4.43Å
114R97.8Very high95.9Very high108 Ų10865.4 Ų65.441%0.40832%0.321SS..EExtended strand (participates in β ladder)trans-154165.817358.7177.9177.178.9-0.7111.3G112 E120 Q131 A132G112-R114 PolarHBondContact O-N 3.02Å; R114-E120 IonicContact CZ-OE1 2.7Å; R114-E120 IonicContact CZ-OE2 3.34Å; R114-E120 VanDerWaalsContact NH1-CD 3.35Å; R114-E120 IonicContact NH1-OE1 3.31Å; R114-E120 PolarHBondContact NH1-OE1 3.04Å; R114-E120 VanDerWaalsContact NH1-OE1 3.17Å; R114-E120 IonicContact NH1-OE2 3.96Å; R114-E120 PolarHBondContact NH1-OE2 3.2Å; R114-E120 IonicContact NH2-OE1 2.73Å; R114-E120 PolarHBondContact NH2-OE1 3Å; R114-E120 IonicContact NH2-OE2 3.75Å; R114-Q131 CarbonylContact O-C 3.55Å; R114-Q131 WeakPolarHBondContact O-CA 3.36Å; R114-A132 HydrophobicContact CG-CB 4.06Å; R114-A132 PolarHBondContact N-O 2.89Å; R114-A132 PolarHBondContact O-N 2.63Å
115V98.2Very high96Very high64 Ų6470 Ų7039%0.38835%0.351SS..EExtended strand (participates in β ladder)trans-74.9145164.3-178.60000108.5F129 G130V115-F129 HydrophobicContact CB-CE2 4.49Å; V115-F129 HydrophobicContact CB-CZ 4.49Å; V115-F129 HydrophobicContact CG1-CD2 4.25Å; V115-F129 HydrophobicContact CG1-CE2 3.54Å; V115-F129 HydrophobicContact CG1-CZ 3.92Å; V115-F129 HydrophobicContact CG2-CE2 4.08Å; V115-F129 HydrophobicContact CG2-CZ 3.8Å; V115-G130 WeakPolarHBondContact CA-O 3.13Å; V115-G130 WeakPolarHBondContact CG1-O 3.25Å
116M98.4Very high96.3Very high15 Ų1572.9 Ų72.97%0.07437%0.369CS..PPolyproline II helixtrans-65.1144.6173.9-73.6175.170.400110.9W92 I94 E120 F124 G130 A132W92-M116 HydrophobicContact CB-CE 4.45Å; W92-M116 HydrophobicContact CB-SD 3.89Å; W92-M116 HydrophobicContact CG-CE 4Å; W92-M116 HydrophobicContact CG-SD 3.89Å; I94-M116 HydrophobicContact CG2-SD 3.96Å; M116-E120 HydrophobicContact CB-CB 4.27Å; M116-E120 HydrophobicContact CE-CB 3.56Å; M116-F124 HydrophobicContact CE-CD2 3.8Å; M116-F124 HydrophobicContact CE-CE2 3.69Å; M116-G130 PolarHBondContact N-O 3.36Å; M116-G130 VanDerWaalsContact SD-CA 3.55Å; M116-A132 HydrophobicContact CG-CB 4.2Å
117T98.1Very high96.6Very high72 Ų7272 Ų7244%0.44237%0.367SS..PPolyproline II helixtrans-73.7159.2170.163.10000110.7R119 E120 L121T117-R119 PolarHBondContact O-N 3.06Å; T117-E120 PolarHBondContact N-OE2 3.1Å; T117-E120 PolarHBondContact O-N 3.28Å; T117-E120 WeakPolarHBondContact OG1-CG 3.47Å; T117-E120 PolarHBondContact OG1-N 3.37Å; T117-E120 PolarHBondContact OG1-OE2 3.39Å; T117-L121 PolarHBondContact O-N 2.75Å
118D96.9Very high96.8Very high131 Ų13176.9 Ų76.970%0.70139%0.385SS*.Hα-helixtrans-56.4-34.8174.5-62.7-18.3000112.1L121 K122D118-L121 PolarHBondContact O-N 2.86Å; D118-K122 WeakPolarHBondContact O-CG 3.12Å; D118-K122 PolarHBondContact O-N 2.99Å
119R97.2Very high96.9Very high219 Ų21973 Ų7383%0.82636%0.363SS*.Hα-helixtrans-64.6-42.1176.9-177180176.8-175.7-0.7112T117T117-R119 PolarHBondContact O-N 3.06Å
120E97.4Very high97.1Very high43 Ų4371.8 Ų71.820%0.20136%0.357CS..Hα-helixtrans-70.4-39.1176.5-67.9167.4120.500111.1R114 M116 T117 K122 R123R114-E120 IonicContact CZ-OE1 2.7Å; R114-E120 IonicContact CZ-OE2 3.34Å; R114-E120 VanDerWaalsContact NH1-CD 3.35Å; R114-E120 IonicContact NH1-OE1 3.31Å; R114-E120 PolarHBondContact NH1-OE1 3.04Å; R114-E120 VanDerWaalsContact NH1-OE1 3.17Å; R114-E120 IonicContact NH1-OE2 3.96Å; R114-E120 PolarHBondContact NH1-OE2 3.2Å; R114-E120 IonicContact NH2-OE1 2.73Å; R114-E120 PolarHBondContact NH2-OE1 3Å; R114-E120 IonicContact NH2-OE2 3.75Å; M116-E120 HydrophobicContact CB-CB 4.27Å; M116-E120 HydrophobicContact CE-CB 3.56Å; T117-E120 PolarHBondContact N-OE2 3.1Å; T117-E120 PolarHBondContact O-N 3.28Å; T117-E120 WeakPolarHBondContact OG1-CG 3.47Å; T117-E120 PolarHBondContact OG1-N 3.37Å; T117-E120 PolarHBondContact OG1-OE2 3.39Å; E120-K122 VanDerWaalsContact C-N 3.27Å; E120-K122 PolarHBondContact O-N 3.16Å; E120-R123 VanDerWaalsContact O-CB 3.27Å; E120-R123 WeakPolarHBondContact O-CB 3.46Å; E120-R123 PolarHBondContact O-N 3.06Å; E120-R123 VanDerWaalsContact O-N 3.14Å
121L97.3Very high97.2Very high31 Ų3171.4 Ų71.416%0.16236%0.355CS..Hα-helixtrans-66.5-28.8-179.3-166.366.3000112.4T117 D118 R123 F124 H127T117-L121 PolarHBondContact O-N 2.75Å; D118-L121 PolarHBondContact O-N 2.86Å; L121-R123 PolarHBondContact O-N 3.3Å; L121-F124 CarbonylContact O-C 3.59Å; L121-F124 WeakPolarHBondContact O-CA 3.42Å; L121-F124 PolarHBondContact O-N 3.37Å; L121-H127 HydrophobicContact CD1-CB 4.38Å
122K96.3Very high97.2Very high170 Ų17068.4 Ų68.474%0.73934%0.34SS*.THydrogen-bonded Turntrans-55.6-20.3171.9-78.3173.5-175.4-176.30114.2D118 E120 F124D118-K122 WeakPolarHBondContact O-CG 3.12Å; D118-K122 PolarHBondContact O-N 2.99Å; E120-K122 VanDerWaalsContact C-N 3.27Å; E120-K122 PolarHBondContact O-N 3.16Å; K122-F124 PolarHBondContact O-N 3.37Å
123R95.6Very high97.2Very high105 Ų10566.1 Ų66.140%0.39631%0.314SS..THydrogen-bonded Turntrans-67.6-24.4171.9-176.4177.8173-176.50.6112.6E120 L121 P125 E259E120-R123 VanDerWaalsContact O-CB 3.27Å; E120-R123 WeakPolarHBondContact O-CB 3.46Å; E120-R123 PolarHBondContact O-N 3.06Å; E120-R123 VanDerWaalsContact O-N 3.14Å; L121-R123 PolarHBondContact O-N 3.3Å; R123-P125 WeakPolarHBondContact O-CD 3.49Å; R123-E259 IonicContact CZ-OE2 2.75Å; R123-E259 IonicContact NE-OE2 3.21Å; R123-E259 IonicContact NH2-OE2 2.76Å; R123-E259 PolarHBondContact NH2-OE2 2.66Å
124F96.4Very high97.2Very high4 Ų465.7 Ų65.72%0.01831%0.314CS..  trans-122.175.7-174.5-52.9-73.9000109.6W92 I94 M116 L121 K122 D126 H127 I212W92-F124 HydrophobicContact CE3-CZ 4.4Å; I94-F124 HydrophobicContact CD1-CB 4.33Å; I94-F124 HydrophobicContact CD1-CD1 3.54Å; I94-F124 HydrophobicContact CD1-CE1 3.93Å; I94-F124 HydrophobicContact CD1-CG 3.91Å; I94-F124 HydrophobicContact CG2-CD2 3.84Å; I94-F124 HydrophobicContact CG2-CE2 4Å; I94-F124 HydrophobicContact CG2-CG 4.12Å; I94-F124 HydrophobicContact CG2-CZ 4.43Å; M116-F124 HydrophobicContact CE-CD2 3.8Å; M116-F124 HydrophobicContact CE-CE2 3.69Å; L121-F124 CarbonylContact O-C 3.59Å; L121-F124 WeakPolarHBondContact O-CA 3.42Å; L121-F124 PolarHBondContact O-N 3.37Å; K122-F124 PolarHBondContact O-N 3.37Å; F124-D126 PolarHBondContact O-N 3.05Å; F124-D126 VanDerWaalsContact O-N 3.13Å; F124-H127 HydrophobicContact CB-CB 4Å; F124-H127 PolarHBondContact O-N 2.99Å; F124-I212 HydrophobicContact CE1-CD1 4.14Å; F124-I212 HydrophobicContact CE1-CG1 4.48Å; F124-I212 HydrophobicContact CE1-CG2 3.96Å; F124-I212 HydrophobicContact CZ-CD1 4.23Å; F124-I212 HydrophobicContact CZ-CG1 4.29Å; F124-I212 HydrophobicContact CZ-CG2 4.27Å
125P94.4Very high97.1Very high114 Ų11461.1 Ų61.174%0.7430%0.298SS*.THydrogen-bonded Turntrans-64.1-21.5-169.525.6-35.4000114.3R123 H127R123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-H127 VanDerWaalsContact C-N 3.31Å
126D95.6Very high96.9Very high104 Ų10458.6 Ų58.656%0.55628%0.283SS*.THydrogen-bonded Turntrans-88.34.7178.3-62.2-32.1000113.1F124F124-D126 PolarHBondContact O-N 3.05Å; F124-D126 VanDerWaalsContact O-N 3.13Å
127H97.7Very high96.7Very high12 Ų1258.1 Ų58.16%0.05628%0.281CS..  trans-121.4130.7-173.4-61.374.8000111.6I94 F95 L121 F124 P125 D214I94-H127 HydrophobicContact CB-CB 4.39Å; F95-H127 CarbonylContact O-C 3.59Å; F95-H127 WeakPolarHBondContact O-CA 3.48Å; F95-H127 WeakPolarHBondContact O-CB 3.25Å; L121-H127 HydrophobicContact CD1-CB 4.38Å; F124-H127 HydrophobicContact CB-CB 4Å; F124-H127 PolarHBondContact O-N 2.99Å; P125-H127 VanDerWaalsContact C-N 3.31Å; H127-D214 IonicContact CD2-OD2 2.83Å; H127-D214 IonicContact CE1-OD2 2.73Å; H127-D214 IonicContact NE2-OD2 3.19Å; H127-D214 PolarHBondContact NE2-OD2 2.97Å
128K97.8Very high96.6Very high123 Ų12354.9 Ų54.954%0.53526%0.261SS..SBendtrans-95.2-12.4-177.4-65.3174.7-174.6167.10114F95 K96 E97F95-K128 PolarHBondContact O-N 3.3Å; K96-K128 WeakPolarHBondContact O-CB 3.44Å; K96-K128 WeakPolarHBondContact O-CD 3.42Å; K96-K128 VanDerWaalsContact O-CG 3.24Å; K96-K128 WeakPolarHBondContact O-CG 3.17Å; K96-K128 PolarHBondContact O-N 2.85Å; E97-K128 WeakPolarHBondContact OE1-CE 3.45Å; E97-K128 IonicContact OE1-NZ 2.69Å; E97-K128 PolarHBondContact OE1-NZ 2.8Å; E97-K128 WeakPolarHBondContact OE2-CD 3.15Å; E97-K128 IonicContact OE2-NZ 2.72Å; E97-K128 PolarHBondContact OE2-NZ 2.77Å
129F98.2Very high96.5Very high16 Ų1649.5 Ų49.57%0.0723%0.231CC..EExtended strand (participates in β ladder)trans-149150.1-178.9-172.2-100.7000111.1F95 V98 P99 K102 V115 Q131F95-F129 HydrophobicContact CB-CB 4.45Å; F95-F129 AromaticContact CD2-CD1 3.77Å; F95-F129 HydrophobicContact CD2-CD1 3.77Å; F95-F129 HydrophobicContact CE2-CD1 4.2Å; F95-F129 PolarHBondContact N-O 2.82Å; F95-F129 PolarHBondContact O-N 2.76Å; V98-F129 HydrophobicContact CG1-CD2 4.33Å; V98-F129 HydrophobicContact CG2-CB 4.21Å; P99-F129 HydrophobicContact CG-CD1 3.73Å; P99-F129 HydrophobicContact CG-CE1 3.89Å; K102-F129 HydrophobicContact CB-CE1 4.43Å; K102-F129 HydrophobicContact CB-CE2 4.44Å; K102-F129 HydrophobicContact CB-CZ 3.79Å; K102-F129 HydrophobicContact CD-CE2 4.06Å; K102-F129 HydrophobicContact CD-CZ 4.25Å; K102-F129 HydrophobicContact CG-CE1 4.5Å; K102-F129 HydrophobicContact CG-CE2 4.13Å; K102-F129 HydrophobicContact CG-CZ 3.88Å; V115-F129 HydrophobicContact CB-CE2 4.49Å; V115-F129 HydrophobicContact CB-CZ 4.49Å; V115-F129 HydrophobicContact CG1-CD2 4.25Å; V115-F129 HydrophobicContact CG1-CE2 3.54Å; V115-F129 HydrophobicContact CG1-CZ 3.92Å; V115-F129 HydrophobicContact CG2-CE2 4.08Å; V115-F129 HydrophobicContact CG2-CZ 3.8Å; F129-Q131 HydrophobicContact CE1-CG 3.77Å; F129-Q131 HydrophobicContact CZ-CG 4.43Å
130G97.7Very high96.4Very high1 Ų139.1 Ų39.11%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-154.6154.6174.800000113Q93 V115 M116Q93-G130 CarbonylContact O-C 3.52Å; Q93-G130 VanDerWaalsContact O-CA 3.31Å; Q93-G130 WeakPolarHBondContact O-CA 3.44Å; V115-G130 WeakPolarHBondContact CA-O 3.13Å; V115-G130 WeakPolarHBondContact CG1-O 3.25Å; M116-G130 PolarHBondContact N-O 3.36Å; M116-G130 VanDerWaalsContact SD-CA 3.55Å
131Q97.4Very high96.2Very high3 Ų340 Ų401%0.01420%0.204CC..EExtended strand (participates in β ladder)trans-120138.8177-64.5164.1-16.500107.9W92 Q93 F95 K102 F113 R114 F129W92-Q131 CarbonylContact C-O 2.95Å; W92-Q131 VanDerWaalsContact CA-O 3.23Å; W92-Q131 WeakPolarHBondContact CA-O 3.33Å; Q93-Q131 HydrophobicContact CB-CB 4.48Å; Q93-Q131 PolarHBondContact N-O 2.82Å; Q93-Q131 PolarHBondContact O-N 2.89Å; F95-Q131 HydrophobicContact CE2-CG 4.22Å; K102-Q131 PolarHBondContact O-NE2 3.34Å; F113-Q131 HydrophobicContact CE2-CB 3.91Å; F113-Q131 HydrophobicContact CE2-CG 4Å; F113-Q131 HydrophobicContact CZ-CB 4.05Å; F113-Q131 HydrophobicContact CZ-CG 3.69Å; R114-Q131 CarbonylContact O-C 3.55Å; R114-Q131 WeakPolarHBondContact O-CA 3.36Å; F129-Q131 HydrophobicContact CE1-CG 3.77Å; F129-Q131 HydrophobicContact CZ-CG 4.43Å
132A97.9Very high96.1Very high5 Ų540 Ų404%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-119134.8174.500000109.3G91 F113 R114 M116G91-A132 WeakPolarHBondContact O-CA 3.41Å; F113-A132 WeakPolarHBondContact CA-O 3.48Å; R114-A132 HydrophobicContact CG-CB 4.06Å; R114-A132 PolarHBondContact N-O 2.89Å; R114-A132 PolarHBondContact O-N 2.63Å; M116-A132 HydrophobicContact CG-CB 4.2Å
133F97.7Very high96.2Very high12 Ų1232 Ų325%0.05317%0.171CC..EExtended strand (participates in β ladder)trans-161.6166.6178.858.1-85000111G91 Q93 W106 V110 F113 T135 F211G91-F133 PolarHBondContact N-O 3.48Å; G91-F133 PolarHBondContact O-N 3.28Å; G91-F133 VanDerWaalsContact O-N 3.17Å; Q93-F133 HydrophobicContact CB-CE1 4.04Å; W106-F133 HydrophobicContact CH2-CD1 4.41Å; W106-F133 AromaticContact CH2-CE1 3.83Å; W106-F133 HydrophobicContact CH2-CE1 3.83Å; W106-F133 AromaticContact CH2-CZ 3.94Å; W106-F133 HydrophobicContact CH2-CZ 3.94Å; W106-F133 HydrophobicContact CZ3-CD1 4.21Å; W106-F133 AromaticContact CZ3-CE1 3.99Å; W106-F133 HydrophobicContact CZ3-CE1 3.99Å; W106-F133 HydrophobicContact CZ3-CE2 4.29Å; W106-F133 HydrophobicContact CZ3-CG 4.46Å; W106-F133 HydrophobicContact CZ3-CZ 4.03Å; V110-F133 HydrophobicContact CB-CD2 4.17Å; V110-F133 HydrophobicContact CG1-CD2 4.34Å; V110-F133 HydrophobicContact CG2-CB 3.83Å; V110-F133 HydrophobicContact CG2-CD2 4.01Å; V110-F133 HydrophobicContact CG2-CG 4.08Å; F113-F133 HydrophobicContact CB-CB 4.31Å; F113-F133 HydrophobicContact CD2-CB 4.14Å; F113-F133 HydrophobicContact CD2-CD1 4.15Å; F113-F133 HydrophobicContact CD2-CG 4.37Å; F113-F133 HydrophobicContact CE2-CD1 4.43Å; F133-T135 HydrophobicContact CE2-CG2 4.08Å; F133-F211 HydrophobicContact CD1-CZ 4.25Å; F133-F211 HydrophobicContact CD2-CE1 4.39Å; F133-F211 AromaticContact CD2-CZ 3.94Å; F133-F211 HydrophobicContact CD2-CZ 3.94Å; F133-F211 HydrophobicContact CE1-CE2 4.24Å; F133-F211 AromaticContact CE1-CZ 3.82Å; F133-F211 HydrophobicContact CE1-CZ 3.82Å; F133-F211 HydrophobicContact CE2-CE1 4.13Å; F133-F211 HydrophobicContact CE2-CE2 4.33Å; F133-F211 AromaticContact CE2-CZ 3.48Å; F133-F211 HydrophobicContact CE2-CZ 3.48Å; F133-F211 VanDerWaalsContact CE2-CZ 3.48Å; F133-F211 HydrophobicContact CG-CZ 4.31Å; F133-F211 HydrophobicContact CZ-CE1 4.47Å; F133-F211 AromaticContact CZ-CE2 3.87Å; F133-F211 HydrophobicContact CZ-CE2 3.87Å; F133-F211 AromaticContact CZ-CZ 3.42Å; F133-F211 HydrophobicContact CZ-CZ 3.42Å; F133-F211 VanDerWaalsContact CZ-CZ 3.42Å
134T97.3Very high96.3Very high28 Ų2827 Ų2717%0.17215%0.152CC..EExtended strand (participates in β ladder)trans-109.9130.8168-61.50000109.4L88 S89 S90 I111L88-T134 HydrophobicContact CB-CG2 4.32Å; L88-T134 HydrophobicContact CD2-CG2 4.2Å; S89-T134 WeakPolarHBondContact O-CA 3.28Å; S90-T134 WeakPolarHBondContact CB-OG1 3.23Å; S90-T134 PolarHBondContact OG-OG1 3.42Å; I111-T134 HydrophobicContact CB-CG2 4.43Å; I111-T134 PolarHBondContact N-O 3.12Å; I111-T134 PolarHBondContact O-N 2.86Å
135T95.6Very high96.4Very high11 Ų1129.4 Ų29.47%0.06717%0.168CC..EExtended strand (participates in β ladder)trans-127.2-172.1177-167.80000110I50 S89 F133 F211I50-T135 HydrophobicContact CD1-CG2 3.74Å; I50-T135 HydrophobicContact CG1-CG2 4.37Å; S89-T135 PolarHBondContact N-O 3.16Å; S89-T135 PolarHBondContact O-N 2.96Å; F133-T135 HydrophobicContact CE2-CG2 4.08Å; T135-F211 HydrophobicContact CG2-CE1 4.08Å
136V94.8Very high96.6Very high12 Ų1226.3 Ų26.37%0.07314%0.142CC..EExtended strand (participates in β ladder)trans-107.8132.7173.4-174.20000109.3F69 L72 L73 A76 V86 I87 L88F69-V136 HydrophobicContact CD2-CG2 4.35Å; F69-V136 HydrophobicContact CE2-CG2 3.91Å; F69-V136 HydrophobicContact CZ-CG2 4.28Å; L72-V136 HydrophobicContact CB-CB 4.28Å; L72-V136 HydrophobicContact CB-CG1 3.79Å; L73-V136 HydrophobicContact CB-CG2 4.16Å; L73-V136 HydrophobicContact CD1-CG2 4.3Å; A76-V136 HydrophobicContact CB-CG1 4.38Å; V86-V136 HydrophobicContact CG1-CG1 3.29Å; I87-V136 CarbonylContact O-C 3.59Å; I87-V136 WeakPolarHBondContact O-CA 3.37Å; L88-V136 HydrophobicContact CD2-CG2 4.3Å
137K94.4Very high96.7Very high5 Ų521.3 Ų21.32%0.02212%0.115CC..EExtended strand (participates in β ladder)trans-99.7134166.2-174.6-175.3-178.1-155.20108.4V86 I87 E139 P223V86-K137 WeakPolarHBondContact CA-O 3.45Å; I87-K137 HydrophobicContact CG1-CB 4.04Å; I87-K137 PolarHBondContact N-O 3.2Å; I87-K137 PolarHBondContact O-N 2.87Å; K137-E139 HydrophobicContact CD-CG 4.44Å; K137-E139 IonicContact NZ-OE1 3.02Å; K137-E139 PolarHBondContact NZ-OE1 3.17Å; K137-P223 WeakPolarHBondContact CD-O 3.49Å; K137-P223 WeakPolarHBondContact CE-O 3.48Å; K137-P223 PolarHBondContact NZ-O 3.44Å; K137-P223 VanDerWaalsContact NZ-O 3.08Å
138C94.9Very high96.8Very high3 Ų321.7 Ų21.72%0.0212%0.117CC..EExtended strand (participates in β ladder)trans-120.5114.5175.3172.50000108.9L72 V86 C140 Y143 V309L72-C138 HydrophobicContact CD1-CB 4.28Å; L72-C138 HydrophobicContact CD2-CB 4.31Å; V86-C138 HydrophobicContact CG2-CB 4.35Å; C138-C140 PolarHBondContact O-N 2.9Å; C138-Y143 VanDerWaalsContact SG-CB 3.57Å; C138-Y143 WeakPolarHBondContact SG-CD1 3.24Å; C138-V309 HydrophobicContact CB-CG1 3.86Å
139E94.4Very high96.8Very high19 Ų1919.8 Ų19.89%0.08911%0.11CC..  trans-87.899.6175.7-64.9-169.6172.200109.3G85 K137 S141 S142 Y143 G224 V225G85-E139 PolarHBondContact O-N 3.29Å; K137-E139 HydrophobicContact CD-CG 4.44Å; K137-E139 IonicContact NZ-OE1 3.02Å; K137-E139 PolarHBondContact NZ-OE1 3.17Å; E139-S141 PolarHBondContact O-N 2.88Å; E139-S141 VanDerWaalsContact O-N 3.17Å; E139-S142 PolarHBondContact O-N 3.11Å; E139-Y143 WeakPolarHBondContact O-CB 3.43Å; E139-Y143 PolarHBondContact O-N 3.2Å; E139-G224 WeakPolarHBondContact OE1-CA 3.14Å; E139-V225 PolarHBondContact OE1-N 3.44Å
140C95.1Very high96.8Very high1 Ų121.5 Ų21.51%0.00712%0.116CC..Hα-helixtrans-61-27.6-174.2-75.80000113.9S44 C138 S142 Y143 L144S44-C140 VanDerWaalsContact C-CB 3.5Å; S44-C140 WeakPolarHBondContact O-CB 3.41Å; C138-C140 PolarHBondContact O-N 2.9Å; C140-S142 PolarHBondContact O-N 2.89Å; C140-S142 VanDerWaalsContact O-N 3.16Å; C140-Y143 PolarHBondContact O-N 3.15Å; C140-L144 HydrophobicContact CB-CD1 4.21Å; C140-L144 HydrophobicContact CB-CG 4.1Å; C140-L144 WeakPolarHBondContact O-CB 3.33Å; C140-L144 VanDerWaalsContact O-CG 3.23Å; C140-L144 WeakPolarHBondContact O-CG 3.45Å; C140-L144 PolarHBondContact O-N 3.23Å
141S93.8Very high96.9Very high62 Ų6221.5 Ų21.543%0.43412%0.115SC..Hα-helixtrans-57-27172.453.80000113.7E139E139-S141 PolarHBondContact O-N 2.88Å; E139-S141 VanDerWaalsContact O-N 3.17Å
142S95.6Very high96.9Very high30 Ų3026.4 Ų26.421%0.2113%0.134CC..Hα-helixtrans-101.6-37.5172.4-55.40000111.8E139 C140 L144 P145 W146E139-S142 PolarHBondContact O-N 3.11Å; C140-S142 PolarHBondContact O-N 2.89Å; C140-S142 VanDerWaalsContact O-N 3.16Å; S142-L144 PolarHBondContact O-N 3.37Å; S142-P145 WeakPolarHBondContact O-CD 3.15Å; S142-W146 PolarHBondContact O-N 3.24Å
143Y97.6Very high97Very high2 Ų233.8 Ų33.81%0.00817%0.165CC..Hα-helixtrans-67.8-37.1-175.2-169.4-122000113.8V13 H71 L72 I75 A84 V86 C138 E139 C140 W146 L147 W313V13-Y143 HydrophobicContact CG2-CD1 4.15Å; V13-Y143 HydrophobicContact CG2-CE1 4.11Å; H71-Y143 PolarHBondContact NE2-OH 3.43Å; L72-Y143 HydrophobicContact CD2-CE1 4.26Å; L72-Y143 HydrophobicContact CD2-CE2 4.2Å; I75-Y143 HydrophobicContact CD1-CE2 3.8Å; A84-Y143 HydrophobicContact CB-CD2 4.15Å; A84-Y143 WeakPolarHBondContact O-CA 3.18Å; A84-Y143 VanDerWaalsContact O-CB 3.3Å; A84-Y143 WeakPolarHBondContact O-CB 3.4Å; A84-Y143 WeakPolarHBondContact O-CD2 3.49Å; A84-Y143 PolarHBondContact O-N 3.49Å; V86-Y143 HydrophobicContact CG2-CD2 3.64Å; V86-Y143 HydrophobicContact CG2-CE2 3.91Å; V86-Y143 HydrophobicContact CG2-CG 4.41Å; C138-Y143 VanDerWaalsContact SG-CB 3.57Å; C138-Y143 WeakPolarHBondContact SG-CD1 3.24Å; E139-Y143 WeakPolarHBondContact O-CB 3.43Å; E139-Y143 PolarHBondContact O-N 3.2Å; C140-Y143 PolarHBondContact O-N 3.15Å; Y143-W146 HydrophobicContact CD2-CE3 4.21Å; Y143-W146 AromaticContact CE2-CE3 3.88Å; Y143-W146 HydrophobicContact CE2-CE3 3.88Å; Y143-W146 HydrophobicContact CE2-CZ3 4.04Å; Y143-W146 PolarHBondContact O-N 2.82Å; Y143-L147 HydrophobicContact CD1-CD1 3.78Å; Y143-L147 HydrophobicContact CD1-CG 4.21Å; Y143-L147 HydrophobicContact CE1-CD1 3.39Å; Y143-L147 HydrophobicContact CE1-CD2 4.34Å; Y143-L147 HydrophobicContact CE1-CG 3.91Å; Y143-L147 HydrophobicContact CE2-CD2 4.32Å; Y143-L147 HydrophobicContact CE2-CG 4.24Å; Y143-L147 WeakPolarHBondContact O-CG 3.27Å; Y143-L147 PolarHBondContact O-N 2.62Å; Y143-W313 AromaticContact CZ-NE1 3.87Å; Y143-W313 PolarHBondContact OH-NE1 3.24Å
144L98.3Very high97Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-67.9-48.9-179.6-58.3174000111.5V13 L16 T42 D45 C140 S142 W146 L147 E148V13-L144 HydrophobicContact CB-CD2 3.9Å; V13-L144 HydrophobicContact CG2-CD2 4.35Å; L16-L144 HydrophobicContact CD1-CB 4.04Å; L16-L144 HydrophobicContact CD1-CD2 3.9Å; T42-L144 HydrophobicContact CG2-CD1 4.5Å; T42-L144 WeakPolarHBondContact OG1-CD1 3.31Å; D45-L144 WeakPolarHBondContact OD1-CD1 3.25Å; C140-L144 HydrophobicContact CB-CD1 4.21Å; C140-L144 HydrophobicContact CB-CG 4.1Å; C140-L144 WeakPolarHBondContact O-CB 3.33Å; C140-L144 VanDerWaalsContact O-CG 3.23Å; C140-L144 WeakPolarHBondContact O-CG 3.45Å; C140-L144 PolarHBondContact O-N 3.23Å; S142-L144 PolarHBondContact O-N 3.37Å; L144-W146 VanDerWaalsContact C-N 3.25Å; L144-W146 PolarHBondContact O-N 2.9Å; L144-L147 PolarHBondContact O-N 2.81Å; L144-L147 VanDerWaalsContact O-N 3.09Å; L144-E148 WeakPolarHBondContact O-CG 3.41Å; L144-E148 PolarHBondContact O-N 3.29Å
145P98.3Very high97Very high54 Ų5436.4 Ų36.435%0.35120%0.197SC..Hα-helixtrans-54.7-40.3170.8-27.634.9000113.4S142 E148 E149S142-P145 WeakPolarHBondContact O-CD 3.15Å; P145-E148 PolarHBondContact O-N 2.96Å; P145-E149 PolarHBondContact O-N 3.29Å
146W98.4Very high97.1Very high49 Ų4936.3 Ų36.319%0.18620%0.199CC..Hα-helixtrans-63-41.8175.9-176.393.5000112.3I75 H80 A84 S142 Y143 L144 E149 R150I75-W146 HydrophobicContact CD1-CH2 3.82Å; I75-W146 HydrophobicContact CD1-CZ3 3.87Å; I75-W146 HydrophobicContact CG1-CH2 4.47Å; H80-W146 HydrophobicContact CB-CZ2 4.32Å; A84-W146 HydrophobicContact CB-CB 4.44Å; A84-W146 HydrophobicContact CB-CD2 3.91Å; A84-W146 HydrophobicContact CB-CE3 4.43Å; A84-W146 HydrophobicContact CB-CG 3.87Å; S142-W146 PolarHBondContact O-N 3.24Å; Y143-W146 HydrophobicContact CD2-CE3 4.21Å; Y143-W146 AromaticContact CE2-CE3 3.88Å; Y143-W146 HydrophobicContact CE2-CE3 3.88Å; Y143-W146 HydrophobicContact CE2-CZ3 4.04Å; Y143-W146 PolarHBondContact O-N 2.82Å; L144-W146 VanDerWaalsContact C-N 3.25Å; L144-W146 PolarHBondContact O-N 2.9Å; W146-E149 PolarHBondContact O-N 3Å; W146-R150 PolarHBondContact O-N 2.91Å
147L98.6Very high97.3Very high0 Ų042.9 Ų42.90%022%0.222CC..Hα-helixtrans-68-37.9175.1-75.7-179.2000113L16 V20 Y143 L144 E149 R150 F151 W313L16-L147 HydrophobicContact CB-CB 4.07Å; L16-L147 HydrophobicContact CB-CD1 3.92Å; L16-L147 HydrophobicContact CD1-CB 4.39Å; V20-L147 HydrophobicContact CG2-CD2 4.43Å; Y143-L147 HydrophobicContact CD1-CD1 3.78Å; Y143-L147 HydrophobicContact CD1-CG 4.21Å; Y143-L147 HydrophobicContact CE1-CD1 3.39Å; Y143-L147 HydrophobicContact CE1-CD2 4.34Å; Y143-L147 HydrophobicContact CE1-CG 3.91Å; Y143-L147 HydrophobicContact CE2-CD2 4.32Å; Y143-L147 HydrophobicContact CE2-CG 4.24Å; Y143-L147 WeakPolarHBondContact O-CG 3.27Å; Y143-L147 PolarHBondContact O-N 2.62Å; L144-L147 PolarHBondContact O-N 2.81Å; L144-L147 VanDerWaalsContact O-N 3.09Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.23Å; L147-R150 PolarHBondContact O-N 3.42Å; L147-F151 VanDerWaalsContact O-CB 3.32Å; L147-F151 WeakPolarHBondContact O-CB 3.41Å; L147-F151 PolarHBondContact O-N 3.27Å; L147-W313 HydrophobicContact CD2-CZ2 3.8Å
148E98.7Very high97.5Very high20 Ų2045.1 Ų45.19%0.09323%0.233CC..Hα-helixtrans-59.4-44.7174.2-72-180-165.400110.8L16 L144 P145 F151 R152 M158L16-E148 HydrophobicContact CD1-CG 3.92Å; L16-E148 HydrophobicContact CD2-CB 4.48Å; L16-E148 HydrophobicContact CD2-CG 3.77Å; L144-E148 WeakPolarHBondContact O-CG 3.41Å; L144-E148 PolarHBondContact O-N 3.29Å; P145-E148 PolarHBondContact O-N 2.96Å; E148-F151 PolarHBondContact O-N 3.37Å; E148-R152 WeakPolarHBondContact O-CG 3.39Å; E148-R152 PolarHBondContact O-N 2.76Å; E148-R152 IonicContact OE2-CZ 3.56Å; E148-R152 IonicContact OE2-NH1 3.5Å; E148-R152 IonicContact OE2-NH2 3.49Å; E148-R152 PolarHBondContact OE2-NH2 2.89Å; E148-M158 HydrophobicContact CB-CE 4.43Å; E148-M158 HydrophobicContact CB-SD 3.97Å; E148-M158 HydrophobicContact CG-CE 4.03Å; E148-M158 HydrophobicContact CG-SD 3.97Å
149E98.6Very high97.7Very high82 Ų8248.7 Ų48.738%0.38325%0.25SC..Hα-helixtrans-64.9-42.8177.3-177.256-158.400112.1P145 W146 L147 F151 R152 K153P145-E149 PolarHBondContact O-N 3.29Å; W146-E149 PolarHBondContact O-N 3Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.23Å; E149-F151 VanDerWaalsContact C-N 3.31Å; E149-F151 PolarHBondContact O-N 2.75Å; E149-R152 PolarHBondContact O-N 3.21Å; E149-R152 IonicContact OE2-NH1 3.59Å; E149-K153 HydrophobicContact CG-CD 4.42Å; E149-K153 WeakPolarHBondContact O-CB 3Å; E149-K153 WeakPolarHBondContact O-CG 3.14Å; E149-K153 PolarHBondContact O-N 3.48Å; E149-K153 WeakPolarHBondContact OE1-CE 3.41Å; E149-K153 IonicContact OE1-NZ 3.7Å
150R98.4Very high97.8Very high53 Ų5354.8 Ų54.820%0.228%0.278CS..Hα-helixtrans-59.5-42.1173.1-178.7173.6174.1-162.8-6111.8V20 E24 H71 W146 L147 K153 A154 W313V20-R150 HydrophobicContact CG1-CG 4.07Å; V20-R150 HydrophobicContact CG2-CG 4.46Å; E24-R150 WeakPolarHBondContact OE1-CG 3.49Å; E24-R150 IonicContact OE1-CZ 3.46Å; E24-R150 IonicContact OE1-NE 3.31Å; E24-R150 PolarHBondContact OE1-NE 3.03Å; E24-R150 IonicContact OE1-NH2 2.68Å; E24-R150 PolarHBondContact OE1-NH2 3.34Å; E24-R150 IonicContact OE2-CZ 3.77Å; E24-R150 IonicContact OE2-NE 3.97Å; E24-R150 IonicContact OE2-NH2 2.79Å; E24-R150 PolarHBondContact OE2-NH2 3.36Å; H71-R150 PolarHBondContact CE1-NH1 2.99Å; H71-R150 VanDerWaalsContact CE1-NH1 3.31Å; W146-R150 PolarHBondContact O-N 2.91Å; L147-R150 PolarHBondContact O-N 3.42Å; R150-K153 PolarHBondContact O-N 2.74Å; R150-A154 PolarHBondContact O-N 3.17Å; R150-A154 VanDerWaalsContact O-N 3.07Å; R150-W313 VanDerWaalsContact NH1-CH2 3.28Å
151F98.8Very high97.9Very high0 Ų060 Ų600%030%0.298CS..Hα-helixtrans-65.3-44.3177.9178.7-120.5000112.3A19 V20 A23 V31 L33 L147 E148 E149 K153 A154 G155 G156 R157 M158A19-F151 HydrophobicContact CB-CD2 3.91Å; A19-F151 HydrophobicContact CB-CE2 3.65Å; A19-F151 HydrophobicContact CB-CZ 4.03Å; V20-F151 HydrophobicContact CG2-CB 3.77Å; V20-F151 HydrophobicContact CG2-CD2 4.44Å; A23-F151 HydrophobicContact CB-CD2 4.09Å; A23-F151 HydrophobicContact CB-CE2 3.94Å; V31-F151 HydrophobicContact CB-CE2 3.98Å; V31-F151 HydrophobicContact CB-CZ 4.1Å; V31-F151 HydrophobicContact CG1-CE2 3.79Å; V31-F151 HydrophobicContact CG1-CZ 3.84Å; L33-F151 HydrophobicContact CB-CD1 4.39Å; L33-F151 HydrophobicContact CB-CE1 3.6Å; L33-F151 HydrophobicContact CB-CZ 3.97Å; L147-F151 VanDerWaalsContact O-CB 3.32Å; L147-F151 WeakPolarHBondContact O-CB 3.41Å; L147-F151 PolarHBondContact O-N 3.27Å; E148-F151 PolarHBondContact O-N 3.37Å; E149-F151 VanDerWaalsContact C-N 3.31Å; E149-F151 PolarHBondContact O-N 2.75Å; F151-K153 VanDerWaalsContact C-N 3.34Å; F151-K153 PolarHBondContact O-N 3.32Å; F151-A154 WeakPolarHBondContact O-CB 3.31Å; F151-A154 PolarHBondContact O-N 3Å; F151-A154 VanDerWaalsContact O-N 3.15Å; F151-G155 PolarHBondContact O-N 2.69Å; F151-G156 WeakPolarHBondContact O-CA 3.28Å; F151-G156 PolarHBondContact O-N 3.42Å; F151-R157 WeakPolarHBondContact CE1-O 3.33Å; F151-M158 HydrophobicContact CD1-CG 3.91Å; F151-M158 HydrophobicContact CD1-SD 4.34Å; F151-M158 HydrophobicContact CE1-CG 3.92Å
152R98.7Very high98Very high107 Ų10764.6 Ų64.640%0.40431%0.306SS..Hα-helixtrans-61-42.4174.9-70-178.9-162.3104.64.8111.6E148 E149 A154 G155 M158E148-R152 WeakPolarHBondContact O-CG 3.39Å; E148-R152 PolarHBondContact O-N 2.76Å; E148-R152 IonicContact OE2-CZ 3.56Å; E148-R152 IonicContact OE2-NH1 3.5Å; E148-R152 IonicContact OE2-NH2 3.49Å; E148-R152 PolarHBondContact OE2-NH2 2.89Å; E149-R152 PolarHBondContact O-N 3.21Å; E149-R152 IonicContact OE2-NH1 3.59Å; R152-A154 PolarHBondContact O-N 3.22Å; R152-G155 WeakPolarHBondContact O-CA 3.29Å; R152-G155 PolarHBondContact O-N 2.76Å; R152-M158 HydrophobicContact CG-SD 4.32Å; R152-M158 PolarHBondContact NH2-SD 3.31Å; R152-M158 VanDerWaalsContact NH2-SD 3.36Å
153K98.4Very high97.9Very high160 Ų16064.3 Ų64.370%0.69630%0.302SS*.Hα-helixtrans-61.5-31.4174.9-76.5174.3176.91620113.2E149 R150 F151 G155E149-K153 HydrophobicContact CG-CD 4.42Å; E149-K153 WeakPolarHBondContact O-CB 3Å; E149-K153 WeakPolarHBondContact O-CG 3.14Å; E149-K153 PolarHBondContact O-N 3.48Å; E149-K153 WeakPolarHBondContact OE1-CE 3.41Å; E149-K153 IonicContact OE1-NZ 3.7Å; R150-K153 PolarHBondContact O-N 2.74Å; F151-K153 VanDerWaalsContact C-N 3.34Å; F151-K153 PolarHBondContact O-N 3.32Å; K153-G155 PolarHBondContact O-N 3.29Å
154A98.1Very high97.7Very high36 Ų3667 Ų6730%0.29832%0.321SS..THydrogen-bonded Turntrans-77.26.2172.400000113.6A23 E24 R150 F151 R152A23-A154 HydrophobicContact CB-CB 3.84Å; E24-A154 HydrophobicContact CG-CB 3.87Å; R150-A154 PolarHBondContact O-N 3.17Å; R150-A154 VanDerWaalsContact O-N 3.07Å; F151-A154 WeakPolarHBondContact O-CB 3.31Å; F151-A154 PolarHBondContact O-N 3Å; F151-A154 VanDerWaalsContact O-N 3.15Å; R152-A154 PolarHBondContact O-N 3.22Å
155G97.9Very high97.4Very high58 Ų5868.5 Ų68.560%0.59833%0.332SS*.THydrogen-bonded Turntrans84.78.9-179.700000114.4F151 R152 K153F151-G155 PolarHBondContact O-N 2.69Å; R152-G155 WeakPolarHBondContact O-CA 3.29Å; R152-G155 PolarHBondContact O-N 2.76Å; K153-G155 PolarHBondContact O-N 3.29Å
156G98.3Very high97.1Very high10 Ų1066.2 Ų66.210%0.10332%0.317CS..  trans-67.2143.8178.400000113.2F151F151-G156 WeakPolarHBondContact O-CA 3.28Å; F151-G156 PolarHBondContact O-N 3.42Å
157R98.4Very high96.7Very high150 Ų15068.7 Ų68.757%0.56633%0.33SS*.EExtended strand (participates in β ladder)trans-104.1141.2174.2-62.7179.4-172.9168.93110.1V31 T32 L33 F151V31-R157 PolarHBondContact O-N 2.83Å; T32-R157 CarbonylContact C-O 3.4Å; T32-R157 VanDerWaalsContact CA-O 3.3Å; T32-R157 WeakPolarHBondContact CA-O 3.24Å; T32-R157 HydrophobicContact CG2-CB 4.44Å; L33-R157 PolarHBondContact N-O 2.92Å; F151-R157 WeakPolarHBondContact CE1-O 3.33Å
158M98.5Very high96.4Very high52 Ų5272.8 Ų72.826%0.25635%0.35SS..EExtended strand (participates in β ladder)trans-118.8133.6177.7-72.6173.837.500110.6L33 F38 E148 F151 R152L33-M158 HydrophobicContact CB-CG 4.46Å; L33-M158 CarbonylContact O-C 3.5Å; L33-M158 WeakPolarHBondContact O-CA 3.42Å; F38-M158 HydrophobicContact CD1-CE 3.66Å; F38-M158 HydrophobicContact CE1-CB 4.49Å; F38-M158 HydrophobicContact CE1-CE 3.43Å; F38-M158 VanDerWaalsContact CE1-CE 3.43Å; F38-M158 HydrophobicContact CE1-CG 4.48Å; F38-M158 HydrophobicContact CZ-CE 4.24Å; E148-M158 HydrophobicContact CB-CE 4.43Å; E148-M158 HydrophobicContact CB-SD 3.97Å; E148-M158 HydrophobicContact CG-CE 4.03Å; E148-M158 HydrophobicContact CG-SD 3.97Å; F151-M158 HydrophobicContact CD1-CG 3.91Å; F151-M158 HydrophobicContact CD1-SD 4.34Å; F151-M158 HydrophobicContact CE1-CG 3.92Å; R152-M158 HydrophobicContact CG-SD 4.32Å; R152-M158 PolarHBondContact NH2-SD 3.31Å; R152-M158 VanDerWaalsContact NH2-SD 3.36Å
159E98.1Very high96Very high77 Ų7772.3 Ų72.336%0.3635%0.348SS..EExtended strand (participates in β ladder)trans-131.7125.3179.7-68.6-178.5-163.300110.9T32 L33 L34 A35 R161T32-E159 HydrophobicContact CG2-CB 4.44Å; T32-E159 HydrophobicContact CG2-CG 4.02Å; L33-E159 PolarHBondContact O-N 3.44Å; L34-E159 WeakPolarHBondContact CA-O 3.48Å; L34-E159 HydrophobicContact CG-CB 4.3Å; A35-E159 PolarHBondContact N-O 3.06Å; A35-E159 VanDerWaalsContact N-O 3.11Å; E159-R161 PolarHBondContact O-N 3.23Å
160Q98.1Very high95.2Very high147 Ų14770.1 Ų70.169%0.68735%0.347SS*.EExtended strand (participates in β ladder)trans-90.7104.1174-167.8172.39.200110.9A35 E36 F38A35-Q160 CarbonylContact O-C 3.56Å; A35-Q160 VanDerWaalsContact O-CA 3.3Å; A35-Q160 WeakPolarHBondContact O-CA 3.36Å; E36-Q160 PolarHBondContact O-NE2 3.04Å; F38-Q160 HydrophobicContact CD2-CB 4.16Å; F38-Q160 HydrophobicContact CD2-CG 4Å; F38-Q160 HydrophobicContact CE2-CB 3.8Å; F38-Q160 HydrophobicContact CE2-CG 4Å
161R96.1Very high94.4Very high111 Ų11173.7 Ų73.742%0.41937%0.37SS..  trans-158.4142.1-178.3-173.3175.571172.51.9110.3L34 A35 E36 E159L34-R161 VanDerWaalsContact CD1-NH2 3.34Å; L34-R161 HydrophobicContact CD2-CB 4.06Å; L34-R161 WeakPolarHBondContact CD2-O 3.42Å; L34-R161 HydrophobicContact CG-CB 4.45Å; A35-R161 CarbonylContact C-O 3.58Å; A35-R161 PolarHBondContact O-N 3.25Å; E36-R161 PolarHBondContact N-O 2.98Å; E159-R161 PolarHBondContact O-N 3.23Å
162R95.7Very high93.9Very high159 Ų15976 Ų7660%0.639%0.393SS*.  trans-80.9133.4169.3-174.2174.2179.4-149.5-3.6110E36E36-R162 HydrophobicContact CB-CB 4.26Å; E36-R162 HydrophobicContact CG-CB 4.13Å; E36-R162 HydrophobicContact CG-CG 4.42Å; E36-R162 WeakPolarHBondContact OE2-CD 3.48Å; E36-R162 WeakPolarHBondContact OE2-CG 3.34Å; E36-R162 IonicContact OE2-NE 2.86Å
163V94.7Very high93.7Very high24 Ų2471.8 Ų71.815%0.14538%0.378CS..  trans-115.4115.5172.6176.10000107.3L9 L34 S165 E168 L169 L187L9-V163 HydrophobicContact CD2-CG2 4.45Å; L34-V163 HydrophobicContact CD1-CG2 4.08Å; L34-V163 HydrophobicContact CD2-CG2 3.42Å; L34-V163 VanDerWaalsContact CD2-CG2 3.42Å; L34-V163 HydrophobicContact CG-CG2 4.43Å; V163-S165 WeakPolarHBondContact CG1-O 3.48Å; V163-E168 WeakPolarHBondContact CA-OE2 3.43Å; V163-E168 HydrophobicContact CG1-CB 4.5Å; V163-L169 HydrophobicContact CG1-CD2 4.35Å; V163-L169 HydrophobicContact CG1-CG 4.48Å; V163-L169 HydrophobicContact CG2-CD2 4.19Å; V163-L187 HydrophobicContact CG1-CD1 3.94Å
164S92.1Very high93.4Very high58 Ų5867.2 Ų67.241%0.40636%0.361SS..SBendtrans-90.8-20-178.2-50.20000112.2E168S164-E168 WeakPolarHBondContact CA-OE1 3.5Å; S164-E168 VanDerWaalsContact CB-OE1 3.25Å; S164-E168 WeakPolarHBondContact CB-OE1 3.33Å; S164-E168 PolarHBondContact N-OE1 2.86Å; S164-E168 PolarHBondContact N-OE2 2.8Å
165S92.4Very high93.3Very high32 Ų3265.5 Ų65.522%0.22435%0.347CS..SBendtrans-152.7150.9-178.370.70000111V163 Q167 E168V163-S165 WeakPolarHBondContact CG1-O 3.48Å; S165-Q167 VanDerWaalsContact CB-OE1 3.22Å; S165-Q167 PolarHBondContact O-N 3.29Å; S165-Q167 PolarHBondContact OG-OE1 3.06Å; S165-E168 PolarHBondContact N-OE1 3.26Å; S165-E168 PolarHBondContact O-N 3.15Å; S165-E168 PolarHBondContact OG-OE1 2.79Å
166L92.7Very high93.3Very high6 Ų662.8 Ų62.83%0.03132%0.319CS..G310 helixtrans-65.8-20.4177.5-65.3-176.6000112.6L9 E168 L169 V176 L187 V188 V288 L290 V298L9-L166 HydrophobicContact CD1-CD2 3.75Å; L166-E168 VanDerWaalsContact C-N 3.29Å; L166-E168 PolarHBondContact O-N 3.06Å; L166-L169 HydrophobicContact CD2-CD1 4.06Å; L166-L169 WeakPolarHBondContact O-CB 3.45Å; L166-L169 PolarHBondContact O-N 2.9Å; L166-V176 HydrophobicContact CD2-CG1 4.07Å; L166-L187 HydrophobicContact CD2-CD1 4.14Å; L166-L187 HydrophobicContact CD2-CD2 4.21Å; L166-L187 HydrophobicContact CD2-CG 4.15Å; L166-L187 HydrophobicContact CG-CD1 4.48Å; L166-L187 HydrophobicContact CG-CG 4.5Å; L166-V188 HydrophobicContact CD1-CG1 3.99Å; L166-V188 HydrophobicContact CG-CG1 4.39Å; L166-V288 HydrophobicContact CD1-CG1 4.37Å; L166-V288 HydrophobicContact CD1-CG2 4.31Å; L166-L290 HydrophobicContact CB-CD2 4.07Å; L166-V298 HydrophobicContact CD1-CG2 4.04Å
167Q89.8Confident93.4Very high100 Ų10062.3 Ų62.347%0.46731%0.314SS..G310 helixtrans-63-32.8175.7-67.679.5-1.700112.3S165 L169 G170 L290S165-Q167 VanDerWaalsContact CB-OE1 3.22Å; S165-Q167 PolarHBondContact O-N 3.29Å; S165-Q167 PolarHBondContact OG-OE1 3.06Å; Q167-L169 PolarHBondContact O-N 3.45Å; Q167-L169 VanDerWaalsContact O-N 3.14Å; Q167-G170 PolarHBondContact O-N 3.1Å; Q167-L290 HydrophobicContact CG-CD2 3.96Å
168E91.3Very high93.4Very high87 Ų8755.1 Ų55.141%0.40729%0.287SS..G310 helixtrans-64.2-16.8179.2-74.6158.9-129.100113.7V163 S164 S165 L166 G170V163-E168 WeakPolarHBondContact CA-OE2 3.43Å; V163-E168 HydrophobicContact CG1-CB 4.5Å; S164-E168 WeakPolarHBondContact CA-OE1 3.5Å; S164-E168 VanDerWaalsContact CB-OE1 3.25Å; S164-E168 WeakPolarHBondContact CB-OE1 3.33Å; S164-E168 PolarHBondContact N-OE1 2.86Å; S164-E168 PolarHBondContact N-OE2 2.8Å; S165-E168 PolarHBondContact N-OE1 3.26Å; S165-E168 PolarHBondContact O-N 3.15Å; S165-E168 PolarHBondContact OG-OE1 2.79Å; L166-E168 VanDerWaalsContact C-N 3.29Å; L166-E168 PolarHBondContact O-N 3.06Å; E168-G170 PolarHBondContact O-N 3.47Å
169L90.3Very high93.4Very high10 Ų1053.1 Ų53.15%0.05228%0.278CS..G310 helixtrans-72.5-18.3176.1-59.8174.9000112.1V7 L9 L34 V163 L166 Q167 G172 F173 V176V7-L169 HydrophobicContact CG1-CD1 4.02Å; L9-L169 HydrophobicContact CD1-CD1 4.41Å; L9-L169 HydrophobicContact CD2-CD2 4.35Å; L34-L169 HydrophobicContact CD1-CD2 4.37Å; V163-L169 HydrophobicContact CG1-CD2 4.35Å; V163-L169 HydrophobicContact CG1-CG 4.48Å; V163-L169 HydrophobicContact CG2-CD2 4.19Å; L166-L169 HydrophobicContact CD2-CD1 4.06Å; L166-L169 WeakPolarHBondContact O-CB 3.45Å; L166-L169 PolarHBondContact O-N 2.9Å; Q167-L169 PolarHBondContact O-N 3.45Å; Q167-L169 VanDerWaalsContact O-N 3.14Å; L169-G172 PolarHBondContact O-N 3.45Å; L169-F173 HydrophobicContact CB-CD2 4.23Å; L169-F173 HydrophobicContact CD2-CD2 4.32Å; L169-F173 HydrophobicContact CD2-CE2 4.3Å; L169-V176 HydrophobicContact CD1-CG1 4.3Å; L169-V176 HydrophobicContact CD1-CG2 3.61Å
170G82Confident93.4Very high35 Ų3551 Ų5136%0.36127%0.271SS..THydrogen-bonded Turntrans53.5-142.7178.400000112.8Q167 E168 G172Q167-G170 PolarHBondContact O-N 3.1Å; E168-G170 PolarHBondContact O-N 3.47Å; G170-G172 VanDerWaalsContact C-N 3.34Å
171D82.2Confident93.4Very high129 Ų12944.7 Ų44.769%0.6925%0.246SC*.THydrogen-bonded Turntrans-89.56177.3-68.6-47.3000114.7F173 R293D171-F173 PolarHBondContact O-N 3.45Å; D171-R293 VanDerWaalsContact CA-NH2 3.26Å; D171-R293 IonicContact OD1-CZ 3.49Å; D171-R293 IonicContact OD1-NE 2.79Å; D171-R293 PolarHBondContact OD1-NE 2.86Å; D171-R293 IonicContact OD1-NH2 2.69Å; D171-R293 PolarHBondContact OD1-NH2 2.88Å
172G87.8Confident93.5Very high47 Ų4741 Ų4149%0.48523%0.234SC..SBendtrans-71.6-15.1-173.900000114.9L169 G170L169-G172 PolarHBondContact O-N 3.45Å; G170-G172 VanDerWaalsContact C-N 3.34Å
173F94Very high93.6Very high19 Ų1935.1 Ų35.18%0.08322%0.223CC..  trans-134.1145.5-176.5-58.5-74.7000112.5Q5 V7 T32 L169 D171 R293 M296Q5-F173 HydrophobicContact CB-CD1 4.05Å; V7-F173 HydrophobicContact CB-CB 4.4Å; V7-F173 HydrophobicContact CB-CD1 3.57Å; V7-F173 HydrophobicContact CB-CD2 3.89Å; V7-F173 HydrophobicContact CB-CE1 3.69Å; V7-F173 HydrophobicContact CB-CE2 3.99Å; V7-F173 HydrophobicContact CB-CG 3.67Å; V7-F173 HydrophobicContact CB-CZ 3.89Å; V7-F173 HydrophobicContact CG1-CB 3.92Å; V7-F173 HydrophobicContact CG1-CD1 4.05Å; V7-F173 HydrophobicContact CG1-CD2 3.8Å; V7-F173 HydrophobicContact CG1-CE2 4.31Å; V7-F173 HydrophobicContact CG1-CG 3.63Å; V7-F173 HydrophobicContact CG2-CD2 4.49Å; V7-F173 HydrophobicContact CG2-CE1 4.32Å; V7-F173 HydrophobicContact CG2-CE2 4.18Å; V7-F173 HydrophobicContact CG2-CZ 4.08Å; T32-F173 HydrophobicContact CG2-CZ 4.3Å; L169-F173 HydrophobicContact CB-CD2 4.23Å; L169-F173 HydrophobicContact CD2-CD2 4.32Å; L169-F173 HydrophobicContact CD2-CE2 4.3Å; D171-F173 PolarHBondContact O-N 3.45Å; F173-R293 PolarHBondContact O-NH1 3.41Å; F173-M296 WeakPolarHBondContact O-CE 3.48Å
174D93.9Very high93.7Very high65 Ų6534 Ų3435%0.34822%0.216SC..SBendtrans-94.1-26.4178-58.9-51.6000111.8V4 Q5 P297 M330V4-D174 HydrophobicContact CG1-CB 3.67Å; Q5-D174 PolarHBondContact N-OD2 3.2Å; Q5-D174 PolarHBondContact O-N 3.45Å; D174-P297 WeakPolarHBondContact O-CD 3.38Å; D174-M330 HydrophobicContact CB-CE 4.02Å; D174-M330 WeakPolarHBondContact O-CE 3.24Å
175L96Very high93.9Very high0 Ų034.9 Ų34.90%021%0.212CC..EExtended strand (participates in β ladder)trans-146.8137.2-178.6-171.3151000111.3Q5 V6 V7 V177 P297 V323 C326 M330Q5-L175 PolarHBondContact O-N 3.21Å; V6-L175 WeakPolarHBondContact CA-O 3.15Å; V6-L175 HydrophobicContact CG1-CD2 3.88Å; V6-L175 HydrophobicContact CG2-CB 4.34Å; V7-L175 PolarHBondContact N-O 3.39Å; L175-V177 HydrophobicContact CD2-CG2 3.47Å; L175-V177 VanDerWaalsContact CD2-CG2 3.47Å; L175-P297 HydrophobicContact CD1-CB 4.45Å; L175-P297 HydrophobicContact CG-CB 4.33Å; L175-V323 HydrophobicContact CD1-CG1 4.14Å; L175-V323 HydrophobicContact CD2-CG1 4.49Å; L175-V323 HydrophobicContact CD2-CG2 3.97Å; L175-C326 HydrophobicContact CD1-CB 3.42Å; L175-C326 VanDerWaalsContact CD1-CB 3.42Å; L175-M330 HydrophobicContact CB-CE 3.99Å; L175-M330 HydrophobicContact CD1-CE 4.23Å
176V98.1Very high94.1Very high0 Ų038.7 Ų38.70%024%0.235CC..EExtended strand (participates in β ladder)trans-108.1135.5174.6-178.10000110.3V7 L9 L166 L169 M296 P297 V298 V299V7-V176 HydrophobicContact CG1-CB 4.19Å; V7-V176 HydrophobicContact CG1-CG1 4.2Å; V7-V176 HydrophobicContact CG1-CG2 3.79Å; V7-V176 CarbonylContact O-C 3.58Å; V7-V176 WeakPolarHBondContact O-CA 3.38Å; L9-V176 HydrophobicContact CD1-CG1 3.68Å; L9-V176 HydrophobicContact CG-CG1 4.08Å; L166-V176 HydrophobicContact CD2-CG1 4.07Å; L169-V176 HydrophobicContact CD1-CG1 4.3Å; L169-V176 HydrophobicContact CD1-CG2 3.61Å; V176-M296 HydrophobicContact CG2-CE 4.14Å; V176-M296 HydrophobicContact CG2-CG 3.92Å; V176-M296 HydrophobicContact CG2-SD 4.11Å; V176-P297 PolarHBondContact N-O 3.29Å; V176-V298 HydrophobicContact CB-CG1 4.27Å; V176-V298 HydrophobicContact CB-CG2 4.2Å; V176-V298 HydrophobicContact CG1-CG1 4.32Å; V176-V298 CarbonylContact O-C 3.51Å; V176-V298 VanDerWaalsContact O-CA 3.28Å; V176-V298 WeakPolarHBondContact O-CA 3.47Å; V176-V299 PolarHBondContact O-N 3.06Å
177V98.8Very high94.2Very high0 Ų039.4 Ų39.40%024%0.239CC..EExtended strand (participates in β ladder)trans-114.3103.6167.7-1690000108.5V6 V7 V8 L9 T18 I22 L175 C179 V299 V323V6-V177 HydrophobicContact CG1-CG2 3.95Å; V7-V177 PolarHBondContact O-N 2.92Å; V8-V177 CarbonylContact C-O 3.59Å; V8-V177 WeakPolarHBondContact CA-O 3.42Å; V8-V177 HydrophobicContact CB-CB 4.49Å; V8-V177 HydrophobicContact CG1-CB 4.37Å; V8-V177 HydrophobicContact CG2-CB 4.13Å; V8-V177 HydrophobicContact CG2-CG2 4.4Å; L9-V177 PolarHBondContact N-O 3.22Å; T18-V177 HydrophobicContact CG2-CG1 3.71Å; I22-V177 HydrophobicContact CD1-CG2 3.83Å; L175-V177 HydrophobicContact CD2-CG2 3.47Å; L175-V177 VanDerWaalsContact CD2-CG2 3.47Å; V177-C179 PolarHBondContact O-N 3.01Å; V177-V299 CarbonylContact C-O 3.35Å; V177-V299 VanDerWaalsContact CA-O 3.26Å; V177-V299 WeakPolarHBondContact CA-O 3.49Å; V177-V299 HydrophobicContact CG1-CB 4.33Å; V177-V299 HydrophobicContact CG1-CG1 4.4Å; V177-V299 HydrophobicContact CG2-CB 4.44Å; V177-V323 HydrophobicContact CG2-CG2 3.84Å
178N98.8Very high94.4Very high0 Ų036.6 Ų36.60%023%0.228CC..EExtended strand (participates in β ladder)trans-83.4102.8-177.5175.811.4000111S180 S184 V298 V299 H300 N301N178-S180 VanDerWaalsContact OD1-CB 3.31Å; N178-S180 WeakPolarHBondContact OD1-CB 3.48Å; N178-S180 PolarHBondContact OD1-N 3.06Å; N178-S180 PolarHBondContact OD1-OG 3.04Å; N178-S184 PolarHBondContact ND2-OG 3.18Å; N178-S184 VanDerWaalsContact ND2-OG 3.1Å; N178-S184 PolarHBondContact OD1-OG 3.06Å; N178-V298 HydrophobicContact CB-CG1 4.34Å; N178-V299 PolarHBondContact N-O 3.07Å; N178-H300 PolarHBondContact ND2-ND1 3.39Å; N178-N301 CarbonylContact O-C 3.56Å; N178-N301 PolarHBondContact O-N 3.18Å
179C98.8Very high94.6Very high10 Ų1035.1 Ų35.17%0.06824%0.236CC..  trans-112.826.5173.5-560000112.2V8 L9 V14 V177 G181 N301V8-C179 HydrophobicContact CG1-CB 4.43Å; L9-C179 CarbonylContact O-C 3.55Å; L9-C179 WeakPolarHBondContact O-CA 3.38Å; L9-C179 VanDerWaalsContact O-CB 3.29Å; L9-C179 WeakPolarHBondContact O-CB 3.46Å; L9-C179 PolarHBondContact O-N 2.83Å; V14-C179 HydrophobicContact CG1-CB 4.36Å; V177-C179 PolarHBondContact O-N 3.01Å; C179-G181 PolarHBondContact O-N 3Å; C179-N301 WeakPolarHBondContact CA-O 3.34Å
180S98.3Very high94.9Very high32 Ų3235.6 Ų35.622%0.22424%0.239CC..  trans-75.34.3-167.965.40000115.2L9 N178 L182 G183 S184L9-S180 PolarHBondContact O-N 3.34Å; L9-S180 VanDerWaalsContact O-N 3.11Å; N178-S180 VanDerWaalsContact OD1-CB 3.31Å; N178-S180 WeakPolarHBondContact OD1-CB 3.48Å; N178-S180 PolarHBondContact OD1-N 3.06Å; N178-S180 PolarHBondContact OD1-OG 3.04Å; S180-L182 PolarHBondContact O-N 2.9Å; S180-G183 WeakPolarHBondContact O-CA 3.39Å; S180-G183 PolarHBondContact O-N 2.68Å; S180-S184 PolarHBondContact OG-N 3.29Å; S180-S184 PolarHBondContact OG-OG 3.1Å
181G98.1Very high95.6Very high15 Ų1538.1 Ų38.116%0.15526%0.256CS..G310 helixtrans59.4-119.2176.300000112.3C179 G183 S184C179-G181 PolarHBondContact O-N 3Å; G181-G183 PolarHBondContact O-N 2.59Å; G181-S184 WeakPolarHBondContact O-CB 3.2Å; G181-S184 PolarHBondContact O-N 2.85Å
182L97.4Very high96.4Very high33 Ų3333.6 Ų33.617%0.17324%0.24CC..G310 helixtrans-64-27.6175.2-81.5176.3000112.4S180 S184 K185 V193 P195 W239 L274 P276S180-L182 PolarHBondContact O-N 2.9Å; L182-S184 PolarHBondContact O-N 3.42Å; L182-S184 VanDerWaalsContact O-N 3.15Å; L182-K185 WeakPolarHBondContact O-CB 3.27Å; L182-K185 PolarHBondContact O-N 3.5Å; L182-K185 VanDerWaalsContact O-N 3.08Å; L182-V193 HydrophobicContact CD2-CG1 3.79Å; L182-P195 HydrophobicContact CD1-CB 4.15Å; L182-P195 HydrophobicContact CD2-CB 4.32Å; L182-W239 HydrophobicContact CD1-CZ3 4.36Å; L182-L274 HydrophobicContact CD1-CB 3.43Å; L182-L274 VanDerWaalsContact CD1-CB 3.43Å; L182-L274 HydrophobicContact CD1-CD1 4.21Å; L182-L274 HydrophobicContact CD1-CG 4.47Å; L182-P276 HydrophobicContact CB-CB 4.48Å; L182-P276 HydrophobicContact CD2-CB 4.27Å; L182-P276 HydrophobicContact CG-CB 3.86Å
183G97.5Very high96.9Very high35 Ų3531.3 Ų31.336%0.36122%0.217SC..G310 helixtrans-57.4-28178.200000113S180 G181 K185 T186 L187S180-G183 WeakPolarHBondContact O-CA 3.39Å; S180-G183 PolarHBondContact O-N 2.68Å; G181-G183 PolarHBondContact O-N 2.59Å; G183-K185 PolarHBondContact O-N 2.87Å; G183-K185 VanDerWaalsContact O-N 3.1Å; G183-T186 PolarHBondContact O-N 3.01Å; G183-L187 WeakPolarHBondContact O-CB 2.88Å; G183-L187 PolarHBondContact O-N 2.72Å
184S97.7Very high97Very high0 Ų034 Ų340%023%0.227CC..Hα-helixtrans-59.4-23.8177.1-69.10000113.8N178 S180 G181 L182 T186 V188 G189 D190 Y302N178-S184 PolarHBondContact ND2-OG 3.18Å; N178-S184 VanDerWaalsContact ND2-OG 3.1Å; N178-S184 PolarHBondContact OD1-OG 3.06Å; S180-S184 PolarHBondContact OG-N 3.29Å; S180-S184 PolarHBondContact OG-OG 3.1Å; G181-S184 WeakPolarHBondContact O-CB 3.2Å; G181-S184 PolarHBondContact O-N 2.85Å; L182-S184 PolarHBondContact O-N 3.42Å; L182-S184 VanDerWaalsContact O-N 3.15Å; S184-T186 VanDerWaalsContact C-N 3.25Å; S184-T186 PolarHBondContact O-N 2.81Å; S184-V188 WeakPolarHBondContact O-CG2 3.48Å; S184-V188 PolarHBondContact O-N 2.91Å; S184-G189 PolarHBondContact O-N 3.22Å; S184-D190 PolarHBondContact O-N 2.99Å; S184-Y302 VanDerWaalsContact CB-CE2 3.45Å; S184-Y302 WeakPolarHBondContact OG-CD1 3.08Å; S184-Y302 WeakPolarHBondContact OG-CD2 3.27Å; S184-Y302 VanDerWaalsContact OG-CE1 3.31Å; S184-Y302 WeakPolarHBondContact OG-CE1 3.35Å
185K96.6Very high97.2Very high77 Ų7730.9 Ų30.934%0.33521%0.21SC..Hα-helixtrans-57.4-42.2173.1-174.2177.1-172.6125.70111.5L182 G183 G189 V193 W239L182-K185 WeakPolarHBondContact O-CB 3.27Å; L182-K185 PolarHBondContact O-N 3.5Å; L182-K185 VanDerWaalsContact O-N 3.08Å; G183-K185 PolarHBondContact O-N 2.87Å; G183-K185 VanDerWaalsContact O-N 3.1Å; K185-G189 CarbonylContact O-C 3.47Å; K185-G189 VanDerWaalsContact O-CA 3.26Å; K185-G189 WeakPolarHBondContact O-CA 3.14Å; K185-G189 PolarHBondContact O-N 2.97Å; K185-V193 HydrophobicContact CB-CB 4.11Å; K185-V193 HydrophobicContact CB-CG1 4.2Å; K185-V193 PolarHBondContact NZ-O 3.1Å; K185-W239 HydrophobicContact CD-CH2 4.06Å; K185-W239 HydrophobicContact CD-CZ2 4.14Å
186T95.4Very high97.3Very high112 Ų11231 Ų3169%0.68721%0.211SC*.Hα-helixtrans-94.4-46-178.3-54.10000111.2G183 S184 V188G183-T186 PolarHBondContact O-N 3.01Å; S184-T186 VanDerWaalsContact C-N 3.25Å; S184-T186 PolarHBondContact O-N 2.81Å; T186-V188 VanDerWaalsContact C-N 3.31Å; T186-V188 PolarHBondContact O-N 2.82Å
187L95.3Very high97.2Very high22 Ų2231 Ų3112%0.11521%0.211CC..Hα-helixtrans-61.4-36.5-172.7-177.366.9000113.3L9 V163 L166 G183L9-L187 HydrophobicContact CD1-CD2 3.69Å; V163-L187 HydrophobicContact CG1-CD1 3.94Å; L166-L187 HydrophobicContact CD2-CD1 4.14Å; L166-L187 HydrophobicContact CD2-CD2 4.21Å; L166-L187 HydrophobicContact CD2-CG 4.15Å; L166-L187 HydrophobicContact CG-CD1 4.48Å; L166-L187 HydrophobicContact CG-CG 4.5Å; G183-L187 WeakPolarHBondContact O-CB 2.88Å; G183-L187 PolarHBondContact O-N 2.72Å
188V94.9Very high97.1Very high41 Ų4131 Ų3125%0.24821%0.212CC..SBendtrans-130.112.1-178.4-58.90000113.1L166 S184 T186 D190 Y302L166-V188 HydrophobicContact CD1-CG1 3.99Å; L166-V188 HydrophobicContact CG-CG1 4.39Å; S184-V188 WeakPolarHBondContact O-CG2 3.48Å; S184-V188 PolarHBondContact O-N 2.91Å; T186-V188 VanDerWaalsContact C-N 3.31Å; T186-V188 PolarHBondContact O-N 2.82Å; V188-D190 VanDerWaalsContact C-N 3.31Å; V188-D190 HydrophobicContact CG2-CB 4.41Å; V188-D190 PolarHBondContact O-N 2.84Å; V188-Y302 HydrophobicContact CG2-CE1 4.4Å
189G95.3Very high97.1Very high56 Ų5631 Ų3158%0.57721%0.212SC*.  trans66.622.2175.100000115.7S184 K185 A191S184-G189 PolarHBondContact O-N 3.22Å; K185-G189 CarbonylContact O-C 3.47Å; K185-G189 VanDerWaalsContact O-CA 3.26Å; K185-G189 WeakPolarHBondContact O-CA 3.14Å; K185-G189 PolarHBondContact O-N 2.97Å; G189-A191 PolarHBondContact O-N 3Å
190D97.1Very high97Very high19 Ų1930.8 Ų30.810%0.10221%0.21CC..  trans-75.394.1-179.3-170.9-16000111.2S184 V188 G192 V193 R278 Y302S184-D190 PolarHBondContact O-N 2.99Å; V188-D190 VanDerWaalsContact C-N 3.31Å; V188-D190 HydrophobicContact CG2-CB 4.41Å; V188-D190 PolarHBondContact O-N 2.84Å; D190-G192 PolarHBondContact O-N 3.48Å; D190-G192 VanDerWaalsContact O-N 3.16Å; D190-G192 WeakPolarHBondContact OD1-CA 3.03Å; D190-G192 PolarHBondContact OD1-N 3.18Å; D190-V193 HydrophobicContact CB-CG2 4.03Å; D190-V193 WeakPolarHBondContact O-CB 3.2Å; D190-V193 PolarHBondContact O-N 3.04Å; D190-V193 VanDerWaalsContact O-N 3.1Å; D190-R278 IonicContact OD1-NE 3.14Å; D190-R278 IonicContact OD2-CZ 3.89Å; D190-R278 IonicContact OD2-NE 3.77Å; D190-R278 PolarHBondContact OD2-NE 2.99Å; D190-R278 IonicContact OD2-NH2 2.62Å; D190-Y302 HydrophobicContact CB-CE2 4.27Å; D190-Y302 WeakPolarHBondContact CB-OH 3.45Å; D190-Y302 VanDerWaalsContact OD2-CE2 3.26Å; D190-Y302 WeakPolarHBondContact OD2-CE2 3.43Å; D190-Y302 PolarHBondContact OD2-OH 3.05Å
191A96.8Very high97Very high88 Ų8829.3 Ų29.373%0.72720%0.199SC*.THydrogen-bonded Turntrans-63-16.9178.300000113.8G189 V193G189-A191 PolarHBondContact O-N 3Å; A191-V193 PolarHBondContact O-N 2.91Å
192G97.2Very high97Very high34 Ų3430.9 Ų30.935%0.35120%0.203SC..THydrogen-bonded Turntrans-73.2-8.6174.900000113.7D190 Y194 R278D190-G192 PolarHBondContact O-N 3.48Å; D190-G192 VanDerWaalsContact O-N 3.16Å; D190-G192 WeakPolarHBondContact OD1-CA 3.03Å; D190-G192 PolarHBondContact OD1-N 3.18Å; G192-Y194 WeakPolarHBondContact O-CD1 3.45Å; G192-R278 WeakPolarHBondContact O-CA 3.22Å
193V98.1Very high97Very high0 Ų029.4 Ų29.40%020%0.195CC..  trans-89.1128.11771790000111L182 K185 D190 A191 S277 Y302L182-V193 HydrophobicContact CD2-CG1 3.79Å; K185-V193 HydrophobicContact CB-CB 4.11Å; K185-V193 HydrophobicContact CB-CG1 4.2Å; K185-V193 PolarHBondContact NZ-O 3.1Å; D190-V193 HydrophobicContact CB-CG2 4.03Å; D190-V193 WeakPolarHBondContact O-CB 3.2Å; D190-V193 PolarHBondContact O-N 3.04Å; D190-V193 VanDerWaalsContact O-N 3.1Å; A191-V193 PolarHBondContact O-N 2.91Å; V193-S277 WeakPolarHBondContact CA-O 3.43Å; V193-Y302 HydrophobicContact CG2-CD2 3.94Å; V193-Y302 HydrophobicContact CG2-CE2 3.57Å
194Y97.9Very high97Very high74 Ų7432.5 Ų32.529%0.2920%0.2SC..EExtended strand (participates in β ladder)trans-147.8153.6-179.665.8-81.6000111.8G192 V196 E236 S277G192-Y194 WeakPolarHBondContact O-CD1 3.45Å; Y194-V196 HydrophobicContact CD2-CG2 4.07Å; Y194-V196 HydrophobicContact CE2-CG2 3.65Å; Y194-E236 HydrophobicContact CE2-CB 4.47Å; Y194-S277 WeakPolarHBondContact CD1-O 3.19Å; Y194-S277 PolarHBondContact N-O 3.34Å; Y194-S277 WeakPolarHBondContact O-CA 3.17Å; Y194-S277 WeakPolarHBondContact O-CB 3.44Å; Y194-S277 PolarHBondContact O-N 2.79Å; Y194-S277 VanDerWaalsContact O-O 3.14Å
195P97.9Very high97Very high1 Ų132.6 Ų32.61%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-79.2146.5178.835.4-39000110.7L182 G237 W239 L274L182-P195 HydrophobicContact CD1-CB 4.15Å; L182-P195 HydrophobicContact CD2-CB 4.32Å; P195-G237 PolarHBondContact O-N 2.9Å; P195-W239 HydrophobicContact CB-CD2 4.32Å; P195-W239 HydrophobicContact CB-CE3 4.37Å; P195-W239 VanDerWaalsContact CD-CE2 3.5Å; P195-W239 HydrophobicContact CG-CD2 3.59Å; P195-W239 VanDerWaalsContact CG-CE2 3.4Å; P195-W239 HydrophobicContact CG-CE3 4.1Å; P195-W239 HydrophobicContact CG-CG 3.94Å; P195-W239 HydrophobicContact CG-CH2 4.27Å; P195-W239 HydrophobicContact CG-CZ2 3.79Å; P195-W239 HydrophobicContact CG-CZ3 4.4Å; P195-L274 HydrophobicContact CB-CB 3.99Å; P195-L274 HydrophobicContact CB-CD1 4.33Å; P195-L274 HydrophobicContact CB-CD2 4.37Å; P195-L274 HydrophobicContact CB-CG 4.45Å
196V96.8Very high97Very high1 Ų133.8 Ų33.81%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-123.899.8159.5179.10000107.6Y194 R234 Q235 E236 R275 S277Y194-V196 HydrophobicContact CD2-CG2 4.07Å; Y194-V196 HydrophobicContact CE2-CG2 3.65Å; V196-R234 HydrophobicContact CG1-CB 4.35Å; V196-R234 HydrophobicContact CG1-CG 3.35Å; V196-Q235 CarbonylContact C-O 3.16Å; V196-Q235 WeakPolarHBondContact CA-O 3.25Å; V196-E236 HydrophobicContact CG1-CG 4.33Å; V196-E236 HydrophobicContact CG2-CB 4.32Å; V196-E236 HydrophobicContact CG2-CG 3.99Å; V196-R275 HydrophobicContact CB-CB 4.23Å; V196-R275 PolarHBondContact N-O 3.41Å; V196-R275 VanDerWaalsContact N-O 3.08Å; V196-R275 WeakPolarHBondContact O-CB 3.39Å; V196-R275 WeakPolarHBondContact O-CG 3.42Å; V196-R275 PolarHBondContact O-N 3.39Å; V196-R275 PolarHBondContact O-NH1 2.55Å; V196-S277 WeakPolarHBondContact CG2-OG 3.35Å
197R97.6Very high97.1Very high0 Ų034.6 Ų34.60%021%0.207CC..EExtended strand (participates in β ladder)trans-60.5136.8-179.5-179.1-177.3179-83.40.5110.2R234 Q235 D238 R240 H242 D247 V272 G273 L274 R275R197-R234 WeakPolarHBondContact O-CA 3.42Å; R197-Q235 HydrophobicContact CB-CB 4.23Å; R197-Q235 PolarHBondContact N-O 3.07Å; R197-Q235 PolarHBondContact O-N 3.44Å; R197-D238 HydrophobicContact CB-CB 3.93Å; R197-D238 WeakPolarHBondContact CD-OD2 2.89Å; R197-R240 WeakPolarHBondContact CD-O 3.19Å; R197-R240 PolarHBondContact NE-O 2.92Å; R197-H242 PolarHBondContact NH2-O 2.83Å; R197-D247 IonicContact CZ-OD2 3.05Å; R197-D247 IonicContact NH1-OD2 3.63Å; R197-D247 PolarHBondContact NH1-OD2 2.88Å; R197-D247 IonicContact NH2-OD2 3.08Å; R197-V272 HydrophobicContact CG-CG1 3.83Å; R197-G273 CarbonylContact C-O 3.49Å; R197-G273 WeakPolarHBondContact CA-O 3.43Å; R197-L274 HydrophobicContact CB-CD2 3.82Å; R197-L274 HydrophobicContact CG-CD2 4.09Å; R197-R275 PolarHBondContact O-NH1 3.3Å; R197-R275 VanDerWaalsContact O-NH1 3.16Å
198G96.6Very high97.2Very high2 Ų234.5 Ų34.52%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-137.2129.5173.700000110.5T233 V272 G273G198-T233 WeakPolarHBondContact CA-O 3.11Å; G198-T233 WeakPolarHBondContact CA-OG1 3.23Å; G198-V272 WeakPolarHBondContact O-CA 3.23Å; G198-G273 PolarHBondContact N-O 2.89Å; G198-G273 PolarHBondContact O-N 2.85Å
199Q97.9Very high97.2Very high0 Ų037 Ų370%022%0.222CC..EExtended strand (participates in β ladder)trans-107.5138.9170.2-172.2165.1-52.100109.6G232 T233 D244 S248 I251 W271 V272Q199-G232 WeakPolarHBondContact O-CA 3.43Å; Q199-T233 HydrophobicContact CB-CG2 4.33Å; Q199-T233 PolarHBondContact N-OG1 2.89Å; Q199-T233 PolarHBondContact O-N 2.83Å; Q199-D244 PolarHBondContact NE2-O 2.91Å; Q199-S248 PolarHBondContact NE2-OG 2.95Å; Q199-I251 HydrophobicContact CB-CD1 4.38Å; Q199-I251 HydrophobicContact CG-CD1 4.42Å; Q199-I251 WeakPolarHBondContact O-CD1 3.32Å; Q199-W271 VanDerWaalsContact CA-O 3.3Å; Q199-W271 WeakPolarHBondContact CA-O 3.4Å; Q199-V272 HydrophobicContact CB-CG2 4.13Å; Q199-V272 HydrophobicContact CG-CG2 3.86Å
200V97.3Very high97.3Very high4 Ų438.1 Ų38.12%0.02421%0.212CC..EExtended strand (participates in β ladder)trans-136.8158.2175.7-58.70000109.5Y220 T229 I230 W271V200-Y220 HydrophobicContact CG1-CE2 4.17Å; V200-Y220 VanDerWaalsContact CG1-OH 3.24Å; V200-Y220 WeakPolarHBondContact CG1-OH 3.42Å; V200-T229 HydrophobicContact CB-CG2 3.99Å; V200-T229 HydrophobicContact CG1-CG2 4.32Å; V200-T229 HydrophobicContact CG2-CG2 4.2Å; V200-I230 WeakPolarHBondContact CA-O 2.77Å; V200-I230 WeakPolarHBondContact CB-O 2.81Å; V200-W271 HydrophobicContact CG2-CB 4.05Å; V200-W271 HydrophobicContact CG2-CE3 4.06Å; V200-W271 PolarHBondContact N-O 2.69Å; V200-W271 PolarHBondContact O-N 3.44Å
201L97.8Very high97.3Very high1 Ų137.2 Ų37.21%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-119.1143173.2-56.985.8000109.1V203 I230 I251 L252 V267 G269 E270L201-V203 HydrophobicContact CB-CG1 4.43Å; L201-I230 HydrophobicContact CB-CD1 4.19Å; L201-I230 HydrophobicContact CB-CG1 3.77Å; L201-I230 HydrophobicContact CD1-CG1 4.34Å; L201-I230 PolarHBondContact N-O 2.9Å; L201-I230 PolarHBondContact O-N 2.68Å; L201-I251 HydrophobicContact CD1-CB 3.61Å; L201-I251 HydrophobicContact CD1-CD1 3.57Å; L201-I251 HydrophobicContact CD1-CG1 4.2Å; L201-I251 HydrophobicContact CD1-CG2 3.42Å; L201-I251 VanDerWaalsContact CD1-CG2 3.42Å; L201-L252 HydrophobicContact CD2-CD1 4.18Å; L201-L252 HydrophobicContact CD2-CD2 4.25Å; L201-L252 HydrophobicContact CD2-CG 4.04Å; L201-V267 HydrophobicContact CD2-CG1 4.11Å; L201-V267 HydrophobicContact CD2-CG2 4.26Å; L201-G269 WeakPolarHBondContact CA-O 3.46Å; L201-E270 HydrophobicContact CD2-CG 4.23Å; L201-E270 HydrophobicContact CG-CG 4.15Å
202Q97.5Very high97.3Very high49 Ų4933.1 Ų33.123%0.22917%0.173CC..EExtended strand (participates in β ladder)trans-95.4128166.8-64.6-59.2-30.600108.1S227 T229 L268 G269Q202-S227 PolarHBondContact OE1-OG 2.68Å; Q202-T229 PolarHBondContact NE2-OG1 2.79Å; Q202-T229 PolarHBondContact OE1-OG1 3.24Å; Q202-L268 HydrophobicContact CB-CB 4.24Å; Q202-L268 PolarHBondContact O-N 3.08Å; Q202-G269 PolarHBondContact N-O 2.92Å; Q202-G269 PolarHBondContact O-N 2.99Å
203V98.2Very high97.3Very high1 Ų132 Ų321%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-129.2149.7-179.9-55.40000112L201 A205 V228 I230 L262 A265 K266 V267L201-V203 HydrophobicContact CB-CG1 4.43Å; V203-A205 HydrophobicContact CG2-CB 4.42Å; V203-A205 PolarHBondContact O-N 3.3Å; V203-V228 HydrophobicContact CG2-CB 3.87Å; V203-V228 HydrophobicContact CG2-CG1 4.35Å; V203-V228 PolarHBondContact N-O 3.49Å; V203-V228 PolarHBondContact O-N 3.31Å; V203-I230 HydrophobicContact CG1-CD1 3.71Å; V203-I230 HydrophobicContact CG1-CG1 4.06Å; V203-I230 HydrophobicContact CG2-CG2 4.04Å; V203-L262 HydrophobicContact CG2-CD2 3.88Å; V203-A265 HydrophobicContact CB-CB 4.15Å; V203-A265 HydrophobicContact CG2-CB 4.3Å; V203-K266 CarbonylContact C-O 3.6Å; V203-K266 VanDerWaalsContact CA-O 3.28Å; V203-K266 WeakPolarHBondContact CA-O 3.04Å; V203-V267 HydrophobicContact CG1-CG2 4.25Å
204E98.1Very high97.1Very high100 Ų10032.5 Ų32.547%0.46716%0.161SC..EExtended strand (participates in β ladder)trans-84.6101.2173.5-172.1173.9-153.200109.8A265 K266 L268E204-A265 WeakPolarHBondContact O-CB 3.27Å; E204-K266 HydrophobicContact CB-CB 4.22Å; E204-K266 PolarHBondContact N-O 2.72Å; E204-L268 HydrophobicContact CB-CD1 4.05Å; E204-L268 HydrophobicContact CB-CD2 4.07Å; E204-L268 HydrophobicContact CB-CG 4.1Å
205A97.6Very high96.8Very high2 Ų230.6 Ų30.62%0.01716%0.164CC..  trans-148.364.3177.900000111.3V203 W207 L208 V228 L262 A265V203-A205 HydrophobicContact CG2-CB 4.42Å; V203-A205 PolarHBondContact O-N 3.3Å; A205-W207 HydrophobicContact CB-CD2 4.45Å; A205-W207 HydrophobicContact CB-CH2 4.23Å; A205-W207 HydrophobicContact CB-CZ2 3.74Å; A205-W207 PolarHBondContact O-N 2.65Å; A205-L208 HydrophobicContact CB-CD1 3.92Å; A205-L208 HydrophobicContact CB-CG 4.19Å; A205-L208 PolarHBondContact O-N 2.79Å; A205-V228 HydrophobicContact CB-CG2 3.91Å; A205-V228 WeakPolarHBondContact O-CG2 2.99Å; A205-L262 HydrophobicContact CB-CD2 3.87Å; A205-A265 HydrophobicContact CB-CB 4.17Å
206P96.3Very high96.4Very high103 Ų10333.8 Ų33.867%0.66918%0.181SC*.THydrogen-bonded Turntrans-63.3-15.6-173.426.6-36.5000114.3L208P206-L208 PolarHBondContact O-N 3.14Å
207W96.8Very high95.9Very high129 Ų12935 Ų3549%0.48919%0.194SC..THydrogen-bonded Turntrans-73.5-13.5174.355.984000113.5A205 S261 A265A205-W207 HydrophobicContact CB-CD2 4.45Å; A205-W207 HydrophobicContact CB-CH2 4.23Å; A205-W207 HydrophobicContact CB-CZ2 3.74Å; A205-W207 PolarHBondContact O-N 2.65Å; W207-S261 PolarHBondContact NE1-OG 3.04Å; W207-A265 HydrophobicContact CZ2-CB 4.49Å
208L96.9Very high95.5Very high19 Ų1939.8 Ų39.810%0.09922%0.215CC..  trans-88.9111.4175.9-61.6-179.9000109.8A205 P206 I221 P223 V228 E259 L262A205-L208 HydrophobicContact CB-CD1 3.92Å; A205-L208 HydrophobicContact CB-CG 4.19Å; A205-L208 PolarHBondContact O-N 2.79Å; P206-L208 PolarHBondContact O-N 3.14Å; L208-I221 HydrophobicContact CD1-CG2 3.93Å; L208-P223 HydrophobicContact CB-CG 4.12Å; L208-P223 WeakPolarHBondContact O-CB 3.04Å; L208-P223 VanDerWaalsContact O-CG 3.27Å; L208-P223 WeakPolarHBondContact O-CG 3.33Å; L208-V228 HydrophobicContact CB-CG2 4.28Å; L208-V228 HydrophobicContact CD1-CG1 4.43Å; L208-E259 HydrophobicContact CD1-CG 4.04Å; L208-E259 HydrophobicContact CD2-CG 3.63Å; L208-L262 HydrophobicContact CD1-CD1 4.46Å; L208-L262 HydrophobicContact CD1-CD2 3.51Å; L208-L262 HydrophobicContact CD1-CG 3.9Å
209T96.1Very high95.5Very high94 Ų9439.9 Ų39.958%0.57722%0.215SC*.  trans-111.2-9.5-179.756.10000113.3
210H97.3Very high95.5Very high79 Ų7940.6 Ų40.637%0.36622%0.218SC..SBendtrans-115.7136.1-178.5-65.9-60.4000112.3S90 W92 P223S90-H210 CarbonylContact O-C 3.55Å; S90-H210 WeakPolarHBondContact O-CA 3.26Å; S90-H210 WeakPolarHBondContact O-CB 3.31Å; S90-H210 PolarHBondContact O-ND1 3.06Å; S90-H210 VanDerWaalsContact O-ND1 3.15Å; W92-H210 HydrophobicContact CE3-CB 4.09Å; W92-H210 HydrophobicContact CH2-CB 3.66Å; W92-H210 AromaticContact CH2-CD2 3.63Å; W92-H210 AromaticContact CH2-CG 3.65Å; W92-H210 HydrophobicContact CZ3-CB 3.27Å; W92-H210 AromaticContact CZ3-CG 3.83Å; H210-P223 WeakPolarHBondContact O-CG 3.39Å
211F97.3Very high95.5Very high0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-71.8147.9173.778-99.9000111.3I50 S89 S90 G91 W92 F133 T135 I221 Y222I50-F211 HydrophobicContact CD1-CG 4.46Å; S89-F211 WeakPolarHBondContact O-CE1 3.48Å; S90-F211 VanDerWaalsContact C-CD1 3.42Å; S90-F211 PolarHBondContact O-N 3.4Å; S90-F211 VanDerWaalsContact O-N 3.07Å; G91-F211 VanDerWaalsContact C-CZ 3.43Å; G91-F211 CarbonylContact C-O 3.55Å; G91-F211 VanDerWaalsContact CA-CE1 3.43Å; G91-F211 VanDerWaalsContact CA-O 3.23Å; G91-F211 WeakPolarHBondContact CA-O 3.36Å; W92-F211 PolarHBondContact N-O 2.95Å; W92-F211 WeakPolarHBondContact O-CE2 3.47Å; F133-F211 HydrophobicContact CD1-CZ 4.25Å; F133-F211 HydrophobicContact CD2-CE1 4.39Å; F133-F211 AromaticContact CD2-CZ 3.94Å; F133-F211 HydrophobicContact CD2-CZ 3.94Å; F133-F211 HydrophobicContact CE1-CE2 4.24Å; F133-F211 AromaticContact CE1-CZ 3.82Å; F133-F211 HydrophobicContact CE1-CZ 3.82Å; F133-F211 HydrophobicContact CE2-CE1 4.13Å; F133-F211 HydrophobicContact CE2-CE2 4.33Å; F133-F211 AromaticContact CE2-CZ 3.48Å; F133-F211 HydrophobicContact CE2-CZ 3.48Å; F133-F211 VanDerWaalsContact CE2-CZ 3.48Å; F133-F211 HydrophobicContact CG-CZ 4.31Å; F133-F211 HydrophobicContact CZ-CE1 4.47Å; F133-F211 AromaticContact CZ-CE2 3.87Å; F133-F211 HydrophobicContact CZ-CE2 3.87Å; F133-F211 AromaticContact CZ-CZ 3.42Å; F133-F211 HydrophobicContact CZ-CZ 3.42Å; F133-F211 VanDerWaalsContact CZ-CZ 3.42Å; T135-F211 HydrophobicContact CG2-CE1 4.08Å; F211-I221 CarbonylContact C-O 3.59Å; F211-I221 VanDerWaalsContact CA-O 3.25Å; F211-I221 WeakPolarHBondContact CA-O 3.44Å; F211-Y222 HydrophobicContact CB-CD1 3.88Å; F211-Y222 HydrophobicContact CB-CE1 4.44Å; F211-Y222 HydrophobicContact CD2-CE1 4.49Å
212I97.2Very high95.4Very high2 Ų240.5 Ų40.51%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-129.4128.2170.5-57.8165.6000107.2W92 I94 F124 Y220 I221 L258 E259W92-I212 HydrophobicContact CE3-CG1 4.05Å; W92-I212 HydrophobicContact CZ3-CG1 4.45Å; W92-I212 CarbonylContact O-C 3.59Å; W92-I212 WeakPolarHBondContact O-CA 3.37Å; I94-I212 HydrophobicContact CD1-CG2 3.93Å; F124-I212 HydrophobicContact CE1-CD1 4.14Å; F124-I212 HydrophobicContact CE1-CG1 4.48Å; F124-I212 HydrophobicContact CE1-CG2 3.96Å; F124-I212 HydrophobicContact CZ-CD1 4.23Å; F124-I212 HydrophobicContact CZ-CG1 4.29Å; F124-I212 HydrophobicContact CZ-CG2 4.27Å; I212-Y220 CarbonylContact O-C 3.33Å; I212-Y220 VanDerWaalsContact O-CA 3.26Å; I212-Y220 WeakPolarHBondContact O-CA 3.26Å; I212-I221 HydrophobicContact CB-CB 4.36Å; I212-I221 HydrophobicContact CB-CD1 4.45Å; I212-I221 HydrophobicContact CD1-CD1 4.2Å; I212-I221 PolarHBondContact N-O 3.38Å; I212-I221 PolarHBondContact O-N 3.08Å; I212-L258 HydrophobicContact CG2-CD1 4.31Å; I212-E259 HydrophobicContact CD1-CB 4.35Å
213R95.8Very high95.4Very high12 Ų1238.7 Ų38.75%0.04521%0.209CC..EExtended strand (participates in β ladder)trans-131.2119.5178-173.2-179.9-173.3-78.1-24.2110.4W92 Q93 I94 Y222W92-R213 PolarHBondContact O-N 2.89Å; Q93-R213 CarbonylContact C-O 3.57Å; Q93-R213 VanDerWaalsContact CA-O 3.28Å; Q93-R213 WeakPolarHBondContact CA-O 3.49Å; Q93-R213 HydrophobicContact CG-CB 4.42Å; I94-R213 PolarHBondContact N-O 3.49Å; R213-Y222 HydrophobicContact CB-CE1 4.17Å; R213-Y222 VanDerWaalsContact CD-OH 3.22Å; R213-Y222 WeakPolarHBondContact CD-OH 3.2Å; R213-Y222 PolarHBondContact NE-OH 3.2Å
214D94.9Very high95.1Very high9 Ų939.7 Ų39.75%0.04822%0.22CC..EExtended strand (participates in β ladder)trans-77.1142.9169.9-161.2-49.8000110.4I94 H127 D216 G217 T219 L258I94-D214 CarbonylContact O-C 3.42Å; H127-D214 IonicContact CD2-OD2 2.83Å; H127-D214 IonicContact CE1-OD2 2.73Å; H127-D214 IonicContact NE2-OD2 3.19Å; H127-D214 PolarHBondContact NE2-OD2 2.97Å; D214-D216 PolarHBondContact O-N 3.29Å; D214-D216 PolarHBondContact OD1-N 3.38Å; D214-G217 PolarHBondContact O-N 3.36Å; D214-T219 WeakPolarHBondContact CB-O 3.32Å; D214-T219 PolarHBondContact N-O 3.39Å; D214-L258 HydrophobicContact CB-CD1 4.39Å
215G90.6Very high94.6Very high35 Ų3537.9 Ų37.936%0.36122%0.216SC..THydrogen-bonded Turntrans-61.3-13.5173.700000114.3I94 G217I94-G215 PolarHBondContact O-N 3.37Å; G215-G217 PolarHBondContact O-N 3.37Å
216D89.8Confident94.2Very high68 Ų6845.1 Ų45.136%0.36425%0.248SC..THydrogen-bonded Turntrans-63.8-14.8175.474.71.9000114.7D214 K218 T219D214-D216 PolarHBondContact O-N 3.29Å; D214-D216 PolarHBondContact OD1-N 3.38Å; D216-K218 PolarHBondContact O-N 2.86Å; D216-K218 WeakPolarHBondContact OD1-CA 3.36Å; D216-K218 PolarHBondContact OD1-N 2.66Å; D216-T219 PolarHBondContact OD1-N 3.5Å; D216-T219 PolarHBondContact OD2-OG1 3.3Å
217G85.7Confident94.1Very high27 Ų2741.4 Ų41.428%0.27823%0.225SC..SBendtrans736-17900000115.4D214 G215D214-G217 PolarHBondContact O-N 3.36Å; G215-G217 PolarHBondContact O-N 3.37Å
218K91Very high94.1Very high99 Ų9935.4 Ų35.443%0.4320%0.203SC..SBendtrans-131.3-2.9-175.5-62.6-178.4-175.3179.30113.5D216 G231 G232 R234 R254D216-K218 PolarHBondContact O-N 2.86Å; D216-K218 WeakPolarHBondContact OD1-CA 3.36Å; D216-K218 PolarHBondContact OD1-N 2.66Å; K218-G231 CarbonylContact O-C 3.53Å; K218-G231 VanDerWaalsContact O-O 3.11Å; K218-G232 PolarHBondContact O-N 3.4Å; K218-R234 HydrophobicContact CG-CB 4.35Å; K218-R254 PolarHBondContact O-NH2 2.94Å
219T96.1Very high94.1Very high4 Ų435 Ų353%0.02520%0.201CC..  trans-127.3113.7177.7-480000109.8D214 D216 G231 R254 L258D214-T219 WeakPolarHBondContact CB-O 3.32Å; D214-T219 PolarHBondContact N-O 3.39Å; D216-T219 PolarHBondContact OD1-N 3.5Å; D216-T219 PolarHBondContact OD2-OG1 3.3Å; T219-G231 CarbonylContact C-O 3.57Å; T219-G231 VanDerWaalsContact CA-O 3.27Å; T219-G231 WeakPolarHBondContact CA-O 3.34Å; T219-R254 HydrophobicContact CG2-CB 3.84Å; T219-R254 PolarHBondContact OG1-NE 2.83Å; T219-R254 VanDerWaalsContact OG1-NE 3.11Å; T219-L258 HydrophobicContact CG2-CD1 3.42Å; T219-L258 VanDerWaalsContact CG2-CD1 3.42Å; T219-L258 HydrophobicContact CG2-CG 4.29Å
220Y96.6Very high94.2Very high15 Ų1530.6 Ų30.66%0.05917%0.174CC..EExtended strand (participates in β ladder)trans-152.6147.4-17950.6-94.1000112.4A48 V200 I212 Y222 I230 G231A48-Y220 HydrophobicContact CB-CD2 4.44Å; A48-Y220 HydrophobicContact CB-CE2 3.79Å; V200-Y220 HydrophobicContact CG1-CE2 4.17Å; V200-Y220 VanDerWaalsContact CG1-OH 3.24Å; V200-Y220 WeakPolarHBondContact CG1-OH 3.42Å; I212-Y220 CarbonylContact O-C 3.33Å; I212-Y220 VanDerWaalsContact O-CA 3.26Å; I212-Y220 WeakPolarHBondContact O-CA 3.26Å; Y220-Y222 VanDerWaalsContact CB-CZ 3.44Å; Y220-Y222 AromaticContact CD2-CD2 3.75Å; Y220-Y222 HydrophobicContact CD2-CD2 3.75Å; Y220-Y222 HydrophobicContact CD2-CE1 4.42Å; Y220-Y222 AromaticContact CD2-CE2 3.54Å; Y220-Y222 HydrophobicContact CD2-CE2 3.54Å; Y220-Y222 HydrophobicContact CD2-CG 4.26Å; Y220-Y222 AromaticContact CD2-CZ 3.91Å; Y220-Y222 HydrophobicContact CE2-CD2 4.35Å; Y220-Y222 HydrophobicContact CE2-CE2 4.16Å; Y220-Y222 HydrophobicContact CG-CD2 4.44Å; Y220-Y222 HydrophobicContact CG-CE1 4.27Å; Y220-Y222 AromaticContact CG-CE2 3.86Å; Y220-Y222 HydrophobicContact CG-CE2 3.86Å; Y220-Y222 AromaticContact CG-CZ 3.76Å; Y220-I230 WeakPolarHBondContact O-CA 2.94Å; Y220-G231 VanDerWaalsContact CE1-C 3.5Å; Y220-G231 VanDerWaalsContact CE2-CA 3.43Å; Y220-G231 PolarHBondContact N-O 2.77Å; Y220-G231 PolarHBondContact O-N 3.15Å
221I97.8Very high94.1Very high1 Ų126.8 Ų26.81%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-130.4108.1179.3-59.1165.2000106.2L208 F211 I212 P223 V228 I230 C255 L258 E259 L262L208-I221 HydrophobicContact CD1-CG2 3.93Å; F211-I221 CarbonylContact C-O 3.59Å; F211-I221 VanDerWaalsContact CA-O 3.25Å; F211-I221 WeakPolarHBondContact CA-O 3.44Å; I212-I221 HydrophobicContact CB-CB 4.36Å; I212-I221 HydrophobicContact CB-CD1 4.45Å; I212-I221 HydrophobicContact CD1-CD1 4.2Å; I212-I221 PolarHBondContact N-O 3.38Å; I212-I221 PolarHBondContact O-N 3.08Å; I221-P223 WeakPolarHBondContact O-CD 3.16Å; I221-V228 HydrophobicContact CG2-CG1 3.64Å; I221-I230 HydrophobicContact CB-CG2 4.46Å; I221-I230 HydrophobicContact CG1-CG2 4.16Å; I221-I230 HydrophobicContact CG2-CG2 4.23Å; I221-C255 HydrophobicContact CD1-CB 4.28Å; I221-C255 HydrophobicContact CG1-CB 4.1Å; I221-L258 HydrophobicContact CD1-CB 4.36Å; I221-E259 HydrophobicContact CD1-CB 3.53Å; I221-E259 HydrophobicContact CD1-CG 4.46Å; I221-L262 HydrophobicContact CD1-CD1 3.63Å; I221-L262 HydrophobicContact CG1-CD1 3.93Å; I221-L262 HydrophobicContact CG2-CD1 4.31Å
222Y97.1Very high93.7Very high3 Ų326.8 Ų26.81%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-118.995.7-173.9-62.6-20000110.2A48 I50 F211 R213 Y220 T229A48-Y222 HydrophobicContact CB-CD2 3.62Å; A48-Y222 HydrophobicContact CB-CE2 3.88Å; A48-Y222 WeakPolarHBondContact O-CD2 3.49Å; I50-Y222 HydrophobicContact CB-CE1 4.49Å; I50-Y222 HydrophobicContact CB-CE2 4.07Å; I50-Y222 HydrophobicContact CD1-CD1 4.48Å; I50-Y222 HydrophobicContact CD1-CE1 4.27Å; I50-Y222 PolarHBondContact O-OH 2.99Å; F211-Y222 HydrophobicContact CB-CD1 3.88Å; F211-Y222 HydrophobicContact CB-CE1 4.44Å; F211-Y222 HydrophobicContact CD2-CE1 4.49Å; R213-Y222 HydrophobicContact CB-CE1 4.17Å; R213-Y222 VanDerWaalsContact CD-OH 3.22Å; R213-Y222 WeakPolarHBondContact CD-OH 3.2Å; R213-Y222 PolarHBondContact NE-OH 3.2Å; Y220-Y222 VanDerWaalsContact CB-CZ 3.44Å; Y220-Y222 AromaticContact CD2-CD2 3.75Å; Y220-Y222 HydrophobicContact CD2-CD2 3.75Å; Y220-Y222 HydrophobicContact CD2-CE1 4.42Å; Y220-Y222 AromaticContact CD2-CE2 3.54Å; Y220-Y222 HydrophobicContact CD2-CE2 3.54Å; Y220-Y222 HydrophobicContact CD2-CG 4.26Å; Y220-Y222 AromaticContact CD2-CZ 3.91Å; Y220-Y222 HydrophobicContact CE2-CD2 4.35Å; Y220-Y222 HydrophobicContact CE2-CE2 4.16Å; Y220-Y222 HydrophobicContact CG-CD2 4.44Å; Y220-Y222 HydrophobicContact CG-CE1 4.27Å; Y220-Y222 AromaticContact CG-CE2 3.86Å; Y220-Y222 HydrophobicContact CG-CE2 3.86Å; Y220-Y222 AromaticContact CG-CZ 3.76Å; Y222-T229 PolarHBondContact N-O 3.29Å; Y222-T229 PolarHBondContact O-N 2.86Å
223P96.3Very high93.6Very high10 Ų1027.2 Ų27.27%0.06516%0.159CC..EExtended strand (participates in β ladder)trans-52.7140.1171.8-30.539.1000112.7K137 L208 H210 I221K137-P223 WeakPolarHBondContact CD-O 3.49Å; K137-P223 WeakPolarHBondContact CE-O 3.48Å; K137-P223 PolarHBondContact NZ-O 3.44Å; K137-P223 VanDerWaalsContact NZ-O 3.08Å; L208-P223 HydrophobicContact CB-CG 4.12Å; L208-P223 WeakPolarHBondContact O-CB 3.04Å; L208-P223 VanDerWaalsContact O-CG 3.27Å; L208-P223 WeakPolarHBondContact O-CG 3.33Å; H210-P223 WeakPolarHBondContact O-CG 3.39Å; I221-P223 WeakPolarHBondContact O-CD 3.16Å
224G92.4Very high93.5Very high22 Ų2233 Ų3323%0.22718%0.181CC..  trans-126.1-175.5-179.100000114E139 S227E139-G224 WeakPolarHBondContact OE1-CA 3.14Å; G224-S227 WeakPolarHBondContact CA-O 2.94Å; G224-S227 PolarHBondContact N-O 3.1Å
225V87.3Confident93.6Very high63 Ų6334.9 Ų34.938%0.38219%0.189SC..SBendtrans-68.4-43.4177.6-176.80000110I87 E139I87-V225 HydrophobicContact CD1-CG2 4.06Å; I87-V225 HydrophobicContact CG2-CG2 3.9Å; E139-V225 PolarHBondContact OE1-N 3.44Å
226H88.4Confident93.9Very high153 Ų15338.5 Ų38.571%0.70820%0.197SC*.SBendtrans-111.6-29.6-174.7-58.3-58.3000114.2
227S94.6Very high94.3Very high25 Ų2537.3 Ų37.318%0.17520%0.2CC..SBendtrans-150.8166.6-175.555.80000111.1Q202 G224Q202-S227 PolarHBondContact OE1-OG 2.68Å; G224-S227 WeakPolarHBondContact CA-O 2.94Å; G224-S227 PolarHBondContact N-O 3.1Å
228V97Very high94.9Very high4 Ų437.3 Ų37.32%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-96.6123.3171.8-178.40000108.4V203 A205 L208 I221 I230V203-V228 HydrophobicContact CG2-CB 3.87Å; V203-V228 HydrophobicContact CG2-CG1 4.35Å; V203-V228 PolarHBondContact N-O 3.49Å; V203-V228 PolarHBondContact O-N 3.31Å; A205-V228 HydrophobicContact CB-CG2 3.91Å; A205-V228 WeakPolarHBondContact O-CG2 2.99Å; L208-V228 HydrophobicContact CB-CG2 4.28Å; L208-V228 HydrophobicContact CD1-CG1 4.43Å; I221-V228 HydrophobicContact CG2-CG1 3.64Å; V228-I230 HydrophobicContact CG1-CG2 4.07Å
229T97.3Very high95.2Very high9 Ų939 Ų396%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-82.2118.2169.8-53.70000108.4A48 V200 Q202 Y222A48-T229 HydrophobicContact CB-CG2 3.93Å; V200-T229 HydrophobicContact CB-CG2 3.99Å; V200-T229 HydrophobicContact CG1-CG2 4.32Å; V200-T229 HydrophobicContact CG2-CG2 4.2Å; Q202-T229 PolarHBondContact NE2-OG1 2.79Å; Q202-T229 PolarHBondContact OE1-OG1 3.24Å; Y222-T229 PolarHBondContact N-O 3.29Å; Y222-T229 PolarHBondContact O-N 2.86Å
230I97.8Very high95.2Very high2 Ų243.3 Ų43.31%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-108142.2168.665.3173.4000109.8V200 L201 V203 Y220 I221 V228 I251 L252 C255 L262V200-I230 WeakPolarHBondContact CA-O 2.77Å; V200-I230 WeakPolarHBondContact CB-O 2.81Å; L201-I230 HydrophobicContact CB-CD1 4.19Å; L201-I230 HydrophobicContact CB-CG1 3.77Å; L201-I230 HydrophobicContact CD1-CG1 4.34Å; L201-I230 PolarHBondContact N-O 2.9Å; L201-I230 PolarHBondContact O-N 2.68Å; V203-I230 HydrophobicContact CG1-CD1 3.71Å; V203-I230 HydrophobicContact CG1-CG1 4.06Å; V203-I230 HydrophobicContact CG2-CG2 4.04Å; Y220-I230 WeakPolarHBondContact O-CA 2.94Å; I221-I230 HydrophobicContact CB-CG2 4.46Å; I221-I230 HydrophobicContact CG1-CG2 4.16Å; I221-I230 HydrophobicContact CG2-CG2 4.23Å; V228-I230 HydrophobicContact CG1-CG2 4.07Å; I230-I251 HydrophobicContact CB-CG2 4.4Å; I230-I251 HydrophobicContact CD1-CG2 4.13Å; I230-I251 HydrophobicContact CG1-CG2 3.99Å; I230-L252 HydrophobicContact CD1-CD2 3.78Å; I230-C255 HydrophobicContact CB-CB 4.35Å; I230-C255 HydrophobicContact CD1-CB 4.43Å; I230-C255 HydrophobicContact CG2-CB 4.48Å; I230-L262 HydrophobicContact CG2-CD1 3.99Å
231G95.1Very high95.2Very high0 Ų047.6 Ų47.60%024%0.237CC..EExtended strand (participates in β ladder)trans-165.5179.9-179.900000112.5K218 T219 Y220K218-G231 CarbonylContact O-C 3.53Å; K218-G231 VanDerWaalsContact O-O 3.11Å; T219-G231 CarbonylContact C-O 3.57Å; T219-G231 VanDerWaalsContact CA-O 3.27Å; T219-G231 WeakPolarHBondContact CA-O 3.34Å; Y220-G231 VanDerWaalsContact CE1-C 3.5Å; Y220-G231 VanDerWaalsContact CE2-CA 3.43Å; Y220-G231 PolarHBondContact N-O 2.77Å; Y220-G231 PolarHBondContact O-N 3.15Å
232G88.7Confident95.2Very high0 Ų052.6 Ų52.60%026%0.26CS..  cis-163.3-157.7-1000000110.6Q199 K218 R254Q199-G232 WeakPolarHBondContact O-CA 3.43Å; K218-G232 PolarHBondContact O-N 3.4Å; G232-R254 PolarHBondContact O-NH2 2.98Å
233T95.5Very high95.2Very high10 Ų1055.1 Ų55.16%0.06128%0.275CS..  trans-114.4160.1175.365.10000112.4G198 Q199 Q235 D247 I251 R275G198-T233 WeakPolarHBondContact CA-O 3.11Å; G198-T233 WeakPolarHBondContact CA-OG1 3.23Å; Q199-T233 HydrophobicContact CB-CG2 4.33Å; Q199-T233 PolarHBondContact N-OG1 2.89Å; Q199-T233 PolarHBondContact O-N 2.83Å; T233-Q235 PolarHBondContact OG1-OE1 3.33Å; T233-D247 HydrophobicContact CG2-CB 3.79Å; T233-I251 HydrophobicContact CG2-CD1 4.27Å; T233-R275 PolarHBondContact O-NH1 3.06Å; T233-R275 PolarHBondContact O-NH2 2.82Å; T233-R275 VanDerWaalsContact O-NH2 3.13Å
234R94.8Very high95.3Very high134 Ų13456.8 Ų56.851%0.50628%0.284SS..  trans-143.685.3175.7-165.2179.6-180-130.7-12.1107.9V196 R197 K218 E236V196-R234 HydrophobicContact CG1-CB 4.35Å; V196-R234 HydrophobicContact CG1-CG 3.35Å; R197-R234 WeakPolarHBondContact O-CA 3.42Å; K218-R234 HydrophobicContact CG-CB 4.35Å; R234-E236 IonicContact CZ-OE1 3.71Å; R234-E236 IonicContact NH2-OE1 3.41Å; R234-E236 PolarHBondContact NH2-OE1 3.18Å
235Q96.8Very high95.6Very high48 Ų4863.6 Ų63.622%0.22431%0.31CS..EExtended strand (participates in β ladder)trans-109.9105.5-179.4-65.4142.2-35.200108.6V196 R197 T233 D238 D247V196-Q235 CarbonylContact C-O 3.16Å; V196-Q235 WeakPolarHBondContact CA-O 3.25Å; R197-Q235 HydrophobicContact CB-CB 4.23Å; R197-Q235 PolarHBondContact N-O 3.07Å; R197-Q235 PolarHBondContact O-N 3.44Å; T233-Q235 PolarHBondContact OG1-OE1 3.33Å; Q235-D238 HydrophobicContact CB-CB 3.94Å; Q235-D247 PolarHBondContact NE2-OD1 3.46Å; Q235-D247 PolarHBondContact NE2-OD2 3.25Å
236E96.4Very high96.1Very high112 Ų11262.7 Ų62.752%0.52331%0.313SS..EExtended strand (participates in β ladder)trans-73.3138.2-178.4-51.3-163.1165.600110.8Y194 V196 R234 D238Y194-E236 HydrophobicContact CE2-CB 4.47Å; V196-E236 HydrophobicContact CG1-CG 4.33Å; V196-E236 HydrophobicContact CG2-CB 4.32Å; V196-E236 HydrophobicContact CG2-CG 3.99Å; R234-E236 IonicContact CZ-OE1 3.71Å; R234-E236 IonicContact NH2-OE1 3.41Å; R234-E236 PolarHBondContact NH2-OE1 3.18Å; E236-D238 PolarHBondContact O-N 3.19Å; E236-D238 VanDerWaalsContact O-N 3.16Å
237G97.4Very high96.5Very high42 Ų4256.6 Ų56.643%0.43329%0.286SS..THydrogen-bonded Turntrans75.7-7178.600000115P195P195-G237 PolarHBondContact O-N 2.9Å
238D97.9Very high96.7Very high28 Ų2855.7 Ų55.715%0.1528%0.28CS..  trans-77.1123175.3-166.1-14.9000110.5R197 Q235 E236 R240 L274R197-D238 HydrophobicContact CB-CB 3.93Å; R197-D238 WeakPolarHBondContact CD-OD2 2.89Å; Q235-D238 HydrophobicContact CB-CB 3.94Å; E236-D238 PolarHBondContact O-N 3.19Å; E236-D238 VanDerWaalsContact O-N 3.16Å; D238-R240 VanDerWaalsContact OD1-CB 3.25Å; D238-R240 WeakPolarHBondContact OD1-CB 3.07Å; D238-R240 VanDerWaalsContact OD1-CG 3.22Å; D238-R240 WeakPolarHBondContact OD1-CG 2.61Å; D238-R240 PolarHBondContact OD1-N 3.15Å; D238-R240 IonicContact OD1-NE 3.84Å; D238-R240 PolarHBondContact OD1-NE 3.38Å; D238-R240 VanDerWaalsContact OD1-NE 3.08Å; D238-R240 IonicContact OD2-CZ 3.83Å; D238-R240 VanDerWaalsContact OD2-CZ 3.31Å; D238-R240 IonicContact OD2-NE 2.78Å; D238-R240 PolarHBondContact OD2-NE 3Å; D238-R240 IonicContact OD2-NH2 3.7Å; D238-R240 PolarHBondContact OD2-NH2 3.17Å; D238-L274 WeakPolarHBondContact O-CD2 3.3Å
239W97.3Very high96.8Very high134 Ų13459 Ų5951%0.50830%0.3SS..  trans-100.7-2.4-179.7-68.687.4000113.2L182 K185 P195 L241 L274L182-W239 HydrophobicContact CD1-CZ3 4.36Å; K185-W239 HydrophobicContact CD-CH2 4.06Å; K185-W239 HydrophobicContact CD-CZ2 4.14Å; P195-W239 HydrophobicContact CB-CD2 4.32Å; P195-W239 HydrophobicContact CB-CE3 4.37Å; P195-W239 VanDerWaalsContact CD-CE2 3.5Å; P195-W239 HydrophobicContact CG-CD2 3.59Å; P195-W239 VanDerWaalsContact CG-CE2 3.4Å; P195-W239 HydrophobicContact CG-CE3 4.1Å; P195-W239 HydrophobicContact CG-CG 3.94Å; P195-W239 HydrophobicContact CG-CH2 4.27Å; P195-W239 HydrophobicContact CG-CZ2 3.79Å; P195-W239 HydrophobicContact CG-CZ3 4.4Å; W239-L241 PolarHBondContact O-N 3.07Å; W239-L274 HydrophobicContact CE3-CD1 4.01Å
240R97.2Very high96.8Very high95 Ų9560.6 Ų60.636%0.35831%0.311SS..  trans-67.8130.1-176.9-63.7176-58.3151.1-1.3110.5R197 D238 H242 D244R197-R240 WeakPolarHBondContact CD-O 3.19Å; R197-R240 PolarHBondContact NE-O 2.92Å; D238-R240 VanDerWaalsContact OD1-CB 3.25Å; D238-R240 WeakPolarHBondContact OD1-CB 3.07Å; D238-R240 VanDerWaalsContact OD1-CG 3.22Å; D238-R240 WeakPolarHBondContact OD1-CG 2.61Å; D238-R240 PolarHBondContact OD1-N 3.15Å; D238-R240 IonicContact OD1-NE 3.84Å; D238-R240 PolarHBondContact OD1-NE 3.38Å; D238-R240 VanDerWaalsContact OD1-NE 3.08Å; D238-R240 IonicContact OD2-CZ 3.83Å; D238-R240 VanDerWaalsContact OD2-CZ 3.31Å; D238-R240 IonicContact OD2-NE 2.78Å; D238-R240 PolarHBondContact OD2-NE 3Å; D238-R240 IonicContact OD2-NH2 3.7Å; D238-R240 PolarHBondContact OD2-NH2 3.17Å; R240-H242 VanDerWaalsContact CD-CE1 3.48Å; R240-H242 WeakPolarHBondContact CD-CE1 3.29Å; R240-D244 IonicContact NH1-OD2 2.85Å
241L96.3Very high96.8Very high104 Ų10460.5 Ų60.555%0.54531%0.311SS..  trans-103.1-3.2176.4-73.8172.8000113.5W239 L274W239-L241 PolarHBondContact O-N 3.07Å; L241-L274 HydrophobicContact CD2-CD1 4.08Å; L241-L274 HydrophobicContact CD2-CD2 4.18Å; L241-L274 HydrophobicContact CD2-CG 3.7Å; L241-L274 HydrophobicContact CG-CD1 4.31Å; L241-L274 HydrophobicContact CG-CG 4.42Å
242H96.9Very high97Very high107 Ų10763.9 Ų63.950%0.49533%0.328SS..SBendtrans-78.4148.9173.556.7-98.5000110.8R197 R240R197-H242 PolarHBondContact NH2-O 2.83Å; R240-H242 VanDerWaalsContact CD-CE1 3.48Å; R240-H242 WeakPolarHBondContact CD-CE1 3.29Å
243V97.9Very high97.4Very high55 Ų5569.5 Ų69.533%0.33336%0.355SS..  trans-61.1139.3170.2172.60000109.6E270 V272V243-E270 HydrophobicContact CG1-CB 4.43Å; V243-E270 HydrophobicContact CG2-CB 3.85Å; V243-V272 HydrophobicContact CG2-CG2 4.07Å
244D98.3Very high97.5Very high45 Ų4571.8 Ų71.824%0.24136%0.362CS..  trans-109.6118.1171.4-175.9-65.4000108.5Q199 R240 G246 D247 S248Q199-D244 PolarHBondContact NE2-O 2.91Å; R240-D244 IonicContact NH1-OD2 2.85Å; D244-G246 PolarHBondContact O-N 3.17Å; D244-G246 WeakPolarHBondContact OD1-CA 3.43Å; D244-G246 PolarHBondContact OD1-N 2.83Å; D244-D247 HydrophobicContact CB-CB 4.01Å; D244-D247 WeakPolarHBondContact O-CB 3.44Å; D244-D247 PolarHBondContact O-N 3.01Å; D244-D247 PolarHBondContact OD1-N 2.84Å; D244-S248 PolarHBondContact O-N 3.37Å
245E97.9Very high97.6Very high165 Ų16565.4 Ų65.477%0.77134%0.338SS*.Hα-helixtrans-63.9-30.4-176.3-66.1-176.5169.800112.6S248 T249E245-S248 PolarHBondContact O-N 2.85Å; E245-T249 WeakPolarHBondContact O-CB 3.46Å; E245-T249 PolarHBondContact O-N 2.85Å; E245-T249 PolarHBondContact O-OG1 3.13Å
246G98.3Very high97.7Very high44 Ų4463.4 Ų63.445%0.45433%0.33SS..Hα-helixtrans-66.8-43.317500000111.3D244 S248 T249 S250D244-G246 PolarHBondContact O-N 3.17Å; D244-G246 WeakPolarHBondContact OD1-CA 3.43Å; D244-G246 PolarHBondContact OD1-N 2.83Å; G246-S248 VanDerWaalsContact C-N 3.34Å; G246-S248 PolarHBondContact O-N 2.81Å; G246-T249 PolarHBondContact O-N 2.91Å; G246-S250 VanDerWaalsContact O-CB 3.28Å; G246-S250 WeakPolarHBondContact O-CB 3.47Å; G246-S250 PolarHBondContact O-N 3.2Å
247D98.3Very high97.6Very high26 Ų2666.4 Ų66.414%0.13934%0.337CS..Hα-helixtrans-60.4-43.3173.1-75.4-25.7000111.5R197 T233 Q235 D244 S250 I251R197-D247 IonicContact CZ-OD2 3.05Å; R197-D247 IonicContact NH1-OD2 3.63Å; R197-D247 PolarHBondContact NH1-OD2 2.88Å; R197-D247 IonicContact NH2-OD2 3.08Å; T233-D247 HydrophobicContact CG2-CB 3.79Å; Q235-D247 PolarHBondContact NE2-OD1 3.46Å; Q235-D247 PolarHBondContact NE2-OD2 3.25Å; D244-D247 HydrophobicContact CB-CB 4.01Å; D244-D247 WeakPolarHBondContact O-CB 3.44Å; D244-D247 PolarHBondContact O-N 3.01Å; D244-D247 PolarHBondContact OD1-N 2.84Å; D247-S250 PolarHBondContact O-N 2.85Å; D247-I251 WeakPolarHBondContact O-CD1 3.33Å; D247-I251 WeakPolarHBondContact O-CG1 3.47Å; D247-I251 PolarHBondContact O-N 3.08Å
248S98.4Very high97.5Very high6 Ų665.5 Ų65.54%0.04232%0.322CS..Hα-helixtrans-63-49.1178.2-70.60000112.7Q199 D244 E245 G246 S250 I251 L252 E270Q199-S248 PolarHBondContact NE2-OG 2.95Å; D244-S248 PolarHBondContact O-N 3.37Å; E245-S248 PolarHBondContact O-N 2.85Å; G246-S248 VanDerWaalsContact C-N 3.34Å; G246-S248 PolarHBondContact O-N 2.81Å; S248-S250 VanDerWaalsContact C-N 3.29Å; S248-S250 PolarHBondContact O-N 2.98Å; S248-I251 PolarHBondContact O-N 2.89Å; S248-L252 WeakPolarHBondContact O-CG 3.45Å; S248-L252 PolarHBondContact O-N 3.34Å; S248-E270 WeakPolarHBondContact CB-OE1 3.46Å; S248-E270 PolarHBondContact OG-OE1 2.68Å
249T98.1Very high97.5Very high74 Ų7465.3 Ų65.345%0.45432%0.32SS..Hα-helixtrans-56.7-47.1176-58.20000110.2E245 G246 I251 L252 E253E245-T249 WeakPolarHBondContact O-CB 3.46Å; E245-T249 PolarHBondContact O-N 2.85Å; E245-T249 PolarHBondContact O-OG1 3.13Å; G246-T249 PolarHBondContact O-N 2.91Å; T249-I251 PolarHBondContact O-N 3.1Å; T249-L252 PolarHBondContact O-N 2.93Å; T249-E253 WeakPolarHBondContact O-CG 3.37Å; T249-E253 PolarHBondContact O-N 3.16Å
250S98Very high97.4Very high42 Ų4262.7 Ų62.729%0.29432%0.32SS..Hα-helixtrans-65.5-37.7-179.5-162.40000113G246 D247 S248 R254G246-S250 VanDerWaalsContact O-CB 3.28Å; G246-S250 WeakPolarHBondContact O-CB 3.47Å; G246-S250 PolarHBondContact O-N 3.2Å; D247-S250 PolarHBondContact O-N 2.85Å; S248-S250 VanDerWaalsContact C-N 3.29Å; S248-S250 PolarHBondContact O-N 2.98Å; S250-R254 VanDerWaalsContact C-NH1 3.28Å; S250-R254 WeakPolarHBondContact O-CG 3.43Å; S250-R254 PolarHBondContact O-N 2.93Å; S250-R254 PolarHBondContact O-NH1 2.92Å; S250-R254 VanDerWaalsContact O-NH1 3.11Å; S250-R254 PolarHBondContact OG-NH1 2.95Å
251I98.3Very high97.4Very high0 Ų060 Ų600%032%0.316CS..Hα-helixtrans-64.4-46.9175.4-68.9161.2000110.5Q199 L201 I230 T233 D247 S248 T249 E253 R254 C255Q199-I251 HydrophobicContact CB-CD1 4.38Å; Q199-I251 HydrophobicContact CG-CD1 4.42Å; Q199-I251 WeakPolarHBondContact O-CD1 3.32Å; L201-I251 HydrophobicContact CD1-CB 3.61Å; L201-I251 HydrophobicContact CD1-CD1 3.57Å; L201-I251 HydrophobicContact CD1-CG1 4.2Å; L201-I251 HydrophobicContact CD1-CG2 3.42Å; L201-I251 VanDerWaalsContact CD1-CG2 3.42Å; I230-I251 HydrophobicContact CB-CG2 4.4Å; I230-I251 HydrophobicContact CD1-CG2 4.13Å; I230-I251 HydrophobicContact CG1-CG2 3.99Å; T233-I251 HydrophobicContact CG2-CD1 4.27Å; D247-I251 WeakPolarHBondContact O-CD1 3.33Å; D247-I251 WeakPolarHBondContact O-CG1 3.47Å; D247-I251 PolarHBondContact O-N 3.08Å; S248-I251 PolarHBondContact O-N 2.89Å; T249-I251 PolarHBondContact O-N 3.1Å; I251-E253 VanDerWaalsContact C-N 3.34Å; I251-E253 PolarHBondContact O-N 2.99Å; I251-R254 PolarHBondContact O-N 2.88Å; I251-C255 VanDerWaalsContact O-CB 3.31Å; I251-C255 WeakPolarHBondContact O-CB 3.41Å; I251-C255 PolarHBondContact O-N 2.94Å; I251-C255 PolarHBondContact O-SG 3.01Å
252L98.1Very high97.4Very high70 Ų7055.7 Ų55.737%0.36629%0.294SS..Hα-helixtrans-60-43.3178.3-73.1166.9000111.6L201 I230 S248 T249 G256 V267L201-L252 HydrophobicContact CD2-CD1 4.18Å; L201-L252 HydrophobicContact CD2-CD2 4.25Å; L201-L252 HydrophobicContact CD2-CG 4.04Å; I230-L252 HydrophobicContact CD1-CD2 3.78Å; S248-L252 WeakPolarHBondContact O-CG 3.45Å; S248-L252 PolarHBondContact O-N 3.34Å; T249-L252 PolarHBondContact O-N 2.93Å; L252-G256 WeakPolarHBondContact O-CA 3.18Å; L252-G256 PolarHBondContact O-N 2.86Å; L252-V267 HydrophobicContact CD1-CG2 4.46Å; L252-V267 HydrophobicContact CD2-CG2 4.15Å
253E97.4Very high97.2Very high118 Ų11858.5 Ų58.555%0.55130%0.304SS*.Hα-helixtrans-62.7-49177.3-75.4179.1172.600112.7T249 I251 R257T249-E253 WeakPolarHBondContact O-CG 3.37Å; T249-E253 PolarHBondContact O-N 3.16Å; I251-E253 VanDerWaalsContact C-N 3.34Å; I251-E253 PolarHBondContact O-N 2.99Å; E253-R257 WeakPolarHBondContact O-CB 3.44Å; E253-R257 PolarHBondContact O-N 3.19Å
254R97.3Very high96.9Very high59 Ų5965 Ų6522%0.22333%0.328CS..Hα-helixtrans-66.8-46.6-179.1-67.5-168.6-47.6-82.12.2111.4K218 T219 G232 S250 I251 R257 L258K218-R254 PolarHBondContact O-NH2 2.94Å; T219-R254 HydrophobicContact CG2-CB 3.84Å; T219-R254 PolarHBondContact OG1-NE 2.83Å; T219-R254 VanDerWaalsContact OG1-NE 3.11Å; G232-R254 PolarHBondContact O-NH2 2.98Å; S250-R254 VanDerWaalsContact C-NH1 3.28Å; S250-R254 WeakPolarHBondContact O-CG 3.43Å; S250-R254 PolarHBondContact O-N 2.93Å; S250-R254 PolarHBondContact O-NH1 2.92Å; S250-R254 VanDerWaalsContact O-NH1 3.11Å; S250-R254 PolarHBondContact OG-NH1 2.95Å; I251-R254 PolarHBondContact O-N 2.88Å; R254-R257 WeakPolarHBondContact O-CB 3.24Å; R254-R257 PolarHBondContact O-N 2.48Å; R254-L258 PolarHBondContact O-N 3.44Å
255C97.9Very high96.8Very high0 Ų063.8 Ų63.80%032%0.324CS..Hα-helixtrans-67.5-39.8179.4-62.30000111.4I221 I230 I251 R257 L258 E259 L262I221-C255 HydrophobicContact CD1-CB 4.28Å; I221-C255 HydrophobicContact CG1-CB 4.1Å; I230-C255 HydrophobicContact CB-CB 4.35Å; I230-C255 HydrophobicContact CD1-CB 4.43Å; I230-C255 HydrophobicContact CG2-CB 4.48Å; I251-C255 VanDerWaalsContact O-CB 3.31Å; I251-C255 WeakPolarHBondContact O-CB 3.41Å; I251-C255 PolarHBondContact O-N 2.94Å; I251-C255 PolarHBondContact O-SG 3.01Å; C255-R257 VanDerWaalsContact C-N 3.25Å; C255-R257 PolarHBondContact O-N 3.04Å; C255-L258 PolarHBondContact O-N 2.69Å; C255-E259 PolarHBondContact O-N 2.74Å; C255-L262 HydrophobicContact CB-CD1 3.9Å
256G97.3Very high96.8Very high5 Ų562.4 Ų62.45%0.05232%0.316CS..Hα-helixtrans-69.6-18.2175.700000114.4L252 P260L252-G256 WeakPolarHBondContact O-CA 3.18Å; L252-G256 PolarHBondContact O-N 2.86Å; G256-P260 WeakPolarHBondContact O-CA 3.47Å
257R95.5Very high96.8Very high176 Ų17663.1 Ų63.166%0.66431%0.311SS*.Hα-helixtrans-76.7-41.9168.4-170.5-179.3-56.2179.93.6111.7E253 R254 C255E253-R257 WeakPolarHBondContact O-CB 3.44Å; E253-R257 PolarHBondContact O-N 3.19Å; R254-R257 WeakPolarHBondContact O-CB 3.24Å; R254-R257 PolarHBondContact O-N 2.48Å; C255-R257 VanDerWaalsContact C-N 3.25Å; C255-R257 PolarHBondContact O-N 3.04Å
258L95.4Very high96.7Very high23 Ų2366.1 Ų66.112%0.1233%0.327CS..Hα-helixtrans-71-38.1177.3-70.6-175.9000112.7I94 I212 D214 T219 I221 R254 C255I94-L258 HydrophobicContact CD1-CD1 4.41Å; I94-L258 HydrophobicContact CD1-CD2 3.87Å; I212-L258 HydrophobicContact CG2-CD1 4.31Å; D214-L258 HydrophobicContact CB-CD1 4.39Å; T219-L258 HydrophobicContact CG2-CD1 3.42Å; T219-L258 VanDerWaalsContact CG2-CD1 3.42Å; T219-L258 HydrophobicContact CG2-CG 4.29Å; I221-L258 HydrophobicContact CD1-CB 4.36Å; R254-L258 PolarHBondContact O-N 3.44Å; C255-L258 PolarHBondContact O-N 2.69Å
259E96.9Very high96.7Very high23 Ų2367.1 Ų67.111%0.10734%0.338CS..  trans-133.289.5-178.8-17845.4-119.300110R123 L208 I212 I221 C255 S261 L262R123-E259 IonicContact CZ-OE2 2.75Å; R123-E259 IonicContact NE-OE2 3.21Å; R123-E259 IonicContact NH2-OE2 2.76Å; R123-E259 PolarHBondContact NH2-OE2 2.66Å; L208-E259 HydrophobicContact CD1-CG 4.04Å; L208-E259 HydrophobicContact CD2-CG 3.63Å; I212-E259 HydrophobicContact CD1-CB 4.35Å; I221-E259 HydrophobicContact CD1-CB 3.53Å; I221-E259 HydrophobicContact CD1-CG 4.46Å; C255-E259 PolarHBondContact O-N 2.74Å; E259-S261 WeakPolarHBondContact CG-OG 3.38Å; E259-S261 PolarHBondContact O-N 3.17Å; E259-S261 VanDerWaalsContact OE1-CB 3.24Å; E259-S261 WeakPolarHBondContact OE1-CB 3.42Å; E259-S261 PolarHBondContact OE1-N 2.82Å; E259-S261 PolarHBondContact OE1-OG 2.98Å; E259-L262 HydrophobicContact CB-CD1 4.07Å; E259-L262 HydrophobicContact CB-CG 4.23Å; E259-L262 HydrophobicContact CG-CD1 4.38Å; E259-L262 HydrophobicContact CG-CG 4.08Å; E259-L262 WeakPolarHBondContact O-CB 3.39Å; E259-L262 PolarHBondContact O-N 2.74Å
260P96.3Very high96.6Very high80 Ų8067.9 Ų67.952%0.51934%0.336SS..G310 helixtrans-57.8-23.8-175.5-28.636.6000115.1G256 L262 K263G256-P260 WeakPolarHBondContact O-CA 3.47Å; P260-L262 PolarHBondContact O-N 3.39Å; P260-K263 WeakPolarHBondContact O-CB 3.41Å; P260-K263 WeakPolarHBondContact O-CG 3.37Å; P260-K263 PolarHBondContact O-N 2.69Å
261S96.3Very high96.5Very high39 Ų3969.5 Ų69.527%0.27334%0.336SS..G310 helixtrans-63.8-23175.969.50000113W207 E259 K263 K264W207-S261 PolarHBondContact NE1-OG 3.04Å; E259-S261 WeakPolarHBondContact CG-OG 3.38Å; E259-S261 PolarHBondContact O-N 3.17Å; E259-S261 VanDerWaalsContact OE1-CB 3.24Å; E259-S261 WeakPolarHBondContact OE1-CB 3.42Å; E259-S261 PolarHBondContact OE1-N 2.82Å; E259-S261 PolarHBondContact OE1-OG 2.98Å; S261-K263 PolarHBondContact O-N 2.83Å; S261-K264 PolarHBondContact O-N 2.87Å
262L96.9Very high96.5Very high13 Ų1370.2 Ų70.27%0.06834%0.341CS..G310 helixtrans-66.1-19.1175.8-75176.8000113.8V203 A205 L208 I221 I230 C255 E259 P260 K264 A265V203-L262 HydrophobicContact CG2-CD2 3.88Å; A205-L262 HydrophobicContact CB-CD2 3.87Å; L208-L262 HydrophobicContact CD1-CD1 4.46Å; L208-L262 HydrophobicContact CD1-CD2 3.51Å; L208-L262 HydrophobicContact CD1-CG 3.9Å; I221-L262 HydrophobicContact CD1-CD1 3.63Å; I221-L262 HydrophobicContact CG1-CD1 3.93Å; I221-L262 HydrophobicContact CG2-CD1 4.31Å; I230-L262 HydrophobicContact CG2-CD1 3.99Å; C255-L262 HydrophobicContact CB-CD1 3.9Å; E259-L262 HydrophobicContact CB-CD1 4.07Å; E259-L262 HydrophobicContact CB-CG 4.23Å; E259-L262 HydrophobicContact CG-CD1 4.38Å; E259-L262 HydrophobicContact CG-CG 4.08Å; E259-L262 WeakPolarHBondContact O-CB 3.39Å; E259-L262 PolarHBondContact O-N 2.74Å; P260-L262 PolarHBondContact O-N 3.39Å; L262-K264 PolarHBondContact O-N 3Å; L262-A265 HydrophobicContact CD2-CB 4.09Å; L262-A265 VanDerWaalsContact O-CB 3.27Å; L262-A265 WeakPolarHBondContact O-CB 3.28Å; L262-A265 PolarHBondContact O-N 2.96Å
263K93.3Very high96.4Very high165 Ų16567.1 Ų67.172%0.71733%0.325SS*.G310 helixtrans-61.4-19179.4-66.4-178.7-179.5-177.80113.5P260 S261P260-K263 WeakPolarHBondContact O-CB 3.41Å; P260-K263 WeakPolarHBondContact O-CG 3.37Å; P260-K263 PolarHBondContact O-N 2.69Å; S261-K263 PolarHBondContact O-N 2.83Å
264K90.6Very high96.4Very high193 Ų19362.1 Ų62.184%0.83930%0.302SS*.G310 helixtrans-103.1-2.8176.5-60.9-177.3-179.4-179.40113S261 L262S261-K264 PolarHBondContact O-N 2.87Å; L262-K264 PolarHBondContact O-N 3Å
265A96.3Very high96.3Very high19 Ų1962 Ų6216%0.15730%0.302CS..PPolyproline II helixtrans-72138.2-177.700000110.3V203 E204 A205 W207 L262V203-A265 HydrophobicContact CB-CB 4.15Å; V203-A265 HydrophobicContact CG2-CB 4.3Å; E204-A265 WeakPolarHBondContact O-CB 3.27Å; A205-A265 HydrophobicContact CB-CB 4.17Å; W207-A265 HydrophobicContact CZ2-CB 4.49Å; L262-A265 HydrophobicContact CD2-CB 4.09Å; L262-A265 VanDerWaalsContact O-CB 3.27Å; L262-A265 WeakPolarHBondContact O-CB 3.28Å; L262-A265 PolarHBondContact O-N 2.96Å
266K97.8Very high96.3Very high136 Ų13663 Ų6359%0.59131%0.309SS*.EExtended strand (participates in β ladder)trans-79.5130.7174.1-178.8-177175.1-172.60109.2V203 E204 L268V203-K266 CarbonylContact C-O 3.6Å; V203-K266 VanDerWaalsContact CA-O 3.28Å; V203-K266 WeakPolarHBondContact CA-O 3.04Å; E204-K266 HydrophobicContact CB-CB 4.22Å; E204-K266 PolarHBondContact N-O 2.72Å; K266-L268 HydrophobicContact CD-CD2 4.36Å; K266-L268 PolarHBondContact O-N 2.92Å
267V98.1Very high96.2Very high59 Ų5963.2 Ų63.236%0.35831%0.309SS..EExtended strand (participates in β ladder)trans-72.8123.5169-178.80000108.6L201 V203 L252 E270L201-V267 HydrophobicContact CD2-CG1 4.11Å; L201-V267 HydrophobicContact CD2-CG2 4.26Å; V203-V267 HydrophobicContact CG1-CG2 4.25Å; L252-V267 HydrophobicContact CD1-CG2 4.46Å; L252-V267 HydrophobicContact CD2-CG2 4.15Å; V267-E270 HydrophobicContact CG1-CG 4.31Å
268L97.6Very high96.2Very high88 Ų8858.3 Ų58.346%0.46129%0.291SS..EExtended strand (participates in β ladder)trans-94.9-29.9-179.5-61.9178.1000112Q202 E204 K266Q202-L268 HydrophobicContact CB-CB 4.24Å; Q202-L268 PolarHBondContact O-N 3.08Å; E204-L268 HydrophobicContact CB-CD1 4.05Å; E204-L268 HydrophobicContact CB-CD2 4.07Å; E204-L268 HydrophobicContact CB-CG 4.1Å; K266-L268 HydrophobicContact CD-CD2 4.36Å; K266-L268 PolarHBondContact O-N 2.92Å
269G96.4Very high96.1Very high28 Ų2867 Ų6729%0.28932%0.322SS..EExtended strand (participates in β ladder)trans-179.5167.7179.400000112.5L201 Q202L201-G269 WeakPolarHBondContact CA-O 3.46Å; Q202-G269 PolarHBondContact N-O 2.92Å; Q202-G269 PolarHBondContact O-N 2.99Å
270E96.9Very high95.9Very high89 Ų8967.7 Ų67.742%0.41633%0.327SS..EExtended strand (participates in β ladder)trans-130.5141.4-178.6-58.8-179.9114.500108.4L201 V243 S248 V267L201-E270 HydrophobicContact CD2-CG 4.23Å; L201-E270 HydrophobicContact CG-CG 4.15Å; V243-E270 HydrophobicContact CG1-CB 4.43Å; V243-E270 HydrophobicContact CG2-CB 3.85Å; S248-E270 WeakPolarHBondContact CB-OE1 3.46Å; S248-E270 PolarHBondContact OG-OE1 2.68Å; V267-E270 HydrophobicContact CG1-CG 4.31Å
271W96.6Very high95.8Very high77 Ų7764.4 Ų64.429%0.29231%0.305SS..EExtended strand (participates in β ladder)trans-138.1139.8-178.7-176.992.4000111T43 G46 Q199 V200 G273T43-W271 HydrophobicContact CG2-CH2 4.35Å; T43-W271 WeakPolarHBondContact O-CH2 3.36Å; G46-W271 WeakPolarHBondContact O-CZ3 3.36Å; Q199-W271 VanDerWaalsContact CA-O 3.3Å; Q199-W271 WeakPolarHBondContact CA-O 3.4Å; V200-W271 HydrophobicContact CG2-CB 4.05Å; V200-W271 HydrophobicContact CG2-CE3 4.06Å; V200-W271 PolarHBondContact N-O 2.69Å; V200-W271 PolarHBondContact O-N 3.44Å; W271-G273 VanDerWaalsContact CH2-CA 3.41Å
272V97.3Very high95.9Very high15 Ų1564 Ų649%0.09130%0.298CS..EExtended strand (participates in β ladder)trans-123.8132175.8-179.10000108.9R197 G198 Q199 V243R197-V272 HydrophobicContact CG-CG1 3.83Å; G198-V272 WeakPolarHBondContact O-CA 3.23Å; Q199-V272 HydrophobicContact CB-CG2 4.13Å; Q199-V272 HydrophobicContact CG-CG2 3.86Å; V243-V272 HydrophobicContact CG2-CG2 4.07Å
273G96.4Very high96Very high4 Ų464.2 Ų64.24%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-143.9161.817400000113.4R197 G198 W271R197-G273 CarbonylContact C-O 3.49Å; R197-G273 WeakPolarHBondContact CA-O 3.43Å; G198-G273 PolarHBondContact N-O 2.89Å; G198-G273 PolarHBondContact O-N 2.85Å; W271-G273 VanDerWaalsContact CH2-CA 3.41Å
274L97.5Very high96.2Very high14 Ų1460.4 Ų60.47%0.07328%0.284CS..EExtended strand (participates in β ladder)trans-110.1104.9-175.3-53.3-178.5000109.3T43 L182 P195 R197 D238 W239 L241T43-L274 WeakPolarHBondContact CG2-O 3.45Å; L182-L274 HydrophobicContact CD1-CB 3.43Å; L182-L274 VanDerWaalsContact CD1-CB 3.43Å; L182-L274 HydrophobicContact CD1-CD1 4.21Å; L182-L274 HydrophobicContact CD1-CG 4.47Å; P195-L274 HydrophobicContact CB-CB 3.99Å; P195-L274 HydrophobicContact CB-CD1 4.33Å; P195-L274 HydrophobicContact CB-CD2 4.37Å; P195-L274 HydrophobicContact CB-CG 4.45Å; R197-L274 HydrophobicContact CB-CD2 3.82Å; R197-L274 HydrophobicContact CG-CD2 4.09Å; D238-L274 WeakPolarHBondContact O-CD2 3.3Å; W239-L274 HydrophobicContact CE3-CD1 4.01Å; L241-L274 HydrophobicContact CD2-CD1 4.08Å; L241-L274 HydrophobicContact CD2-CD2 4.18Å; L241-L274 HydrophobicContact CD2-CG 3.7Å; L241-L274 HydrophobicContact CG-CD1 4.31Å; L241-L274 HydrophobicContact CG-CG 4.42Å
275R95.8Very high96.5Very high55 Ų5555.8 Ų55.821%0.20826%0.262CS..EExtended strand (participates in β ladder)trans-64.5127.1178.5-61.3175.4-170.489.7-5.9109.5V196 R197 T233 S277V196-R275 HydrophobicContact CB-CB 4.23Å; V196-R275 PolarHBondContact N-O 3.41Å; V196-R275 VanDerWaalsContact N-O 3.08Å; V196-R275 WeakPolarHBondContact O-CB 3.39Å; V196-R275 WeakPolarHBondContact O-CG 3.42Å; V196-R275 PolarHBondContact O-N 3.39Å; V196-R275 PolarHBondContact O-NH1 2.55Å; R197-R275 PolarHBondContact O-NH1 3.3Å; R197-R275 VanDerWaalsContact O-NH1 3.16Å; T233-R275 PolarHBondContact O-NH1 3.06Å; T233-R275 PolarHBondContact O-NH2 2.82Å; T233-R275 VanDerWaalsContact O-NH2 3.13Å; R275-S277 VanDerWaalsContact C-N 3.27Å; R275-S277 PolarHBondContact O-N 2.84Å; R275-S277 PolarHBondContact O-OG 3.27Å
276P96.5Very high96.4Very high22 Ų2258.8 Ų58.814%0.14327%0.272CS..EExtended strand (participates in β ladder)trans-74.878.1-178.631.8-36.5000110.7L182 G303 H304 G305L182-P276 HydrophobicContact CB-CB 4.48Å; L182-P276 HydrophobicContact CD2-CB 4.27Å; L182-P276 HydrophobicContact CG-CB 3.86Å; P276-G303 CarbonylContact O-C 3.53Å; P276-G303 VanDerWaalsContact O-CA 3.23Å; P276-G303 WeakPolarHBondContact O-CA 3.46Å; P276-H304 PolarHBondContact O-N 3.18Å; P276-G305 WeakPolarHBondContact O-CA 3.46Å; P276-G305 PolarHBondContact O-N 3.27Å
277S95.5Very high96.2Very high10 Ų1058 Ų587%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-87.7143.6-169.2-55.80000110.9V193 Y194 V196 R275V193-S277 WeakPolarHBondContact CA-O 3.43Å; Y194-S277 WeakPolarHBondContact CD1-O 3.19Å; Y194-S277 PolarHBondContact N-O 3.34Å; Y194-S277 WeakPolarHBondContact O-CA 3.17Å; Y194-S277 WeakPolarHBondContact O-CB 3.44Å; Y194-S277 PolarHBondContact O-N 2.79Å; Y194-S277 VanDerWaalsContact O-O 3.14Å; V196-S277 WeakPolarHBondContact CG2-OG 3.35Å; R275-S277 VanDerWaalsContact C-N 3.27Å; R275-S277 PolarHBondContact O-N 2.84Å; R275-S277 PolarHBondContact O-OG 3.27Å
278R95.9Very high95.7Very high73 Ų7356.5 Ų56.528%0.27526%0.256SS..EExtended strand (participates in β ladder)trans-148.4155.7173.2-173.3174.5-176.1-83.10.1106D190 G192 N280D190-R278 IonicContact OD1-NE 3.14Å; D190-R278 IonicContact OD2-CZ 3.89Å; D190-R278 IonicContact OD2-NE 3.77Å; D190-R278 PolarHBondContact OD2-NE 2.99Å; D190-R278 IonicContact OD2-NH2 2.62Å; G192-R278 WeakPolarHBondContact O-CA 3.22Å; R278-N280 WeakPolarHBondContact CD-O 3.23Å; R278-N280 WeakPolarHBondContact CG-O 3.25Å; R278-N280 PolarHBondContact NH1-O 3.27Å; R278-N280 PolarHBondContact O-N 3.45Å
279R92.2Very high95.2Very high204 Ų20458.9 Ų58.977%0.7727%0.269SS*.EExtended strand (participates in β ladder)trans-48-48.3178179.7177.5176.8-178.10.1111.4
280N93.3Very high94.5Very high39 Ų3958.1 Ų58.121%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-136.8147.9172-75.9-32.6000109.9D55 I56 R278 R282D55-N280 VanDerWaalsContact C-OD1 3.27Å; D55-N280 PolarHBondContact N-OD1 2.81Å; D55-N280 PolarHBondContact O-ND2 3.3Å; D55-N280 PolarHBondContact O-OD1 3.45Å; I56-N280 HydrophobicContact CG2-CB 3.82Å; I56-N280 VanDerWaalsContact CG2-CG 3.44Å; I56-N280 WeakPolarHBondContact CG2-OD1 3.38Å; R278-N280 WeakPolarHBondContact CD-O 3.23Å; R278-N280 WeakPolarHBondContact CG-O 3.25Å; R278-N280 PolarHBondContact NH1-O 3.27Å; R278-N280 PolarHBondContact O-N 3.45Å; N280-R282 PolarHBondContact O-N 3.07Å
281P95.5Very high93.5Very high11 Ų1159.3 Ų59.37%0.07127%0.273CS..EExtended strand (participates in β ladder)trans-54.6137.1171.7-23.132.9000110.8P54 W64 V283 Y302 I311P54-P281 HydrophobicContact CB-CG 4.34Å; P54-P281 HydrophobicContact CG-CG 4.15Å; W64-P281 HydrophobicContact CH2-CB 4.48Å; W64-P281 HydrophobicContact CZ3-CB 4.23Å; W64-P281 HydrophobicContact CZ3-CG 4.21Å; P281-V283 HydrophobicContact CB-CG2 4.46Å; P281-Y302 CarbonylContact C-O 3.57Å; P281-Y302 WeakPolarHBondContact CA-O 3.28Å; P281-I311 HydrophobicContact CG-CD1 4.23Å
282R97.5Very high92.3Very high31 Ų3160 Ų6012%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-92.6105.2175-167.1-177.9-171.9-160.8-11.4108N280 E284 E286 H300 N301 Y302N280-R282 PolarHBondContact O-N 3.07Å; R282-E284 HydrophobicContact CG-CG 3.88Å; R282-E284 IonicContact CZ-OE1 3.85Å; R282-E284 IonicContact NE-OE1 3.72Å; R282-E284 PolarHBondContact NE-OE1 2.94Å; R282-E284 IonicContact NH2-OE1 2.98Å; R282-E284 PolarHBondContact NH2-OE1 2.98Å; R282-E286 IonicContact CZ-OE2 3.67Å; R282-E286 IonicContact NH1-OE2 2.74Å; R282-E286 IonicContact NH2-OE2 3.74Å; R282-E286 PolarHBondContact NH2-OE2 3.06Å; R282-H300 HydrophobicContact CG-CB 4.08Å; R282-H300 VanDerWaalsContact CZ-CD2 3.5Å; R282-H300 CarbonylContact O-C 3.11Å; R282-N301 VanDerWaalsContact O-CA 3.28Å; R282-N301 WeakPolarHBondContact O-CA 3.47Å; R282-N301 PolarHBondContact O-N 3.32Å; R282-Y302 HydrophobicContact CB-CE1 4.34Å; R282-Y302 HydrophobicContact CB-CE2 4.11Å; R282-Y302 VanDerWaalsContact CD-CZ 3.45Å; R282-Y302 WeakPolarHBondContact CD-OH 3.4Å; R282-Y302 PolarHBondContact N-O 3.21Å; R282-Y302 PolarHBondContact NH1-OH 3.08Å; R282-Y302 PolarHBondContact O-N 2.73Å; R282-Y302 VanDerWaalsContact O-N 3.14Å
283V98.3Very high91.1Very high17 Ų1762.6 Ų62.610%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-126.289.2175.7-171.40000108.3W64 P281 H300 T315 D318 L322W64-V283 HydrophobicContact CH2-CB 4.15Å; W64-V283 HydrophobicContact CH2-CG2 3.68Å; W64-V283 HydrophobicContact CZ2-CB 4.01Å; W64-V283 HydrophobicContact CZ2-CG1 4.4Å; W64-V283 HydrophobicContact CZ2-CG2 3.83Å; P281-V283 HydrophobicContact CB-CG2 4.46Å; V283-H300 VanDerWaalsContact CA-O 3.25Å; V283-H300 WeakPolarHBondContact CA-O 3.49Å; V283-T315 HydrophobicContact CG2-CG2 4.09Å; V283-D318 HydrophobicContact CG1-CB 3.96Å; V283-L322 HydrophobicContact CG1-CD1 4.22Å
284E97.9Very high89.9Confident85 Ų8569.4 Ų69.440%0.39735%0.354SS..EExtended strand (participates in β ladder)trans-159166.8-17367.1-170.2-154.900111.1R282 V299 H300R282-E284 HydrophobicContact CG-CG 3.88Å; R282-E284 IonicContact CZ-OE1 3.85Å; R282-E284 IonicContact NE-OE1 3.72Å; R282-E284 PolarHBondContact NE-OE1 2.94Å; R282-E284 IonicContact NH2-OE1 2.98Å; R282-E284 PolarHBondContact NH2-OE1 2.98Å; E284-V299 CarbonylContact O-C 3.42Å; E284-V299 WeakPolarHBondContact O-CA 3.26Å; E284-H300 PolarHBondContact N-O 3.48Å; E284-H300 PolarHBondContact O-N 3.23Å
285R97Very high89.2Confident96 Ų9669.2 Ų69.236%0.36236%0.355SS..EExtended strand (participates in β ladder)trans-108.6146.7175.271-176.6-175.9107.3-8.7111.1V298 V299 L322 E329R285-V298 CarbonylContact C-O 3.58Å; R285-V298 VanDerWaalsContact CA-O 3.27Å; R285-V298 WeakPolarHBondContact CA-O 3.46Å; R285-V299 HydrophobicContact CB-CG2 4.23Å; R285-L322 HydrophobicContact CB-CD2 4.44Å; R285-L322 HydrophobicContact CG-CD2 4.36Å; R285-E329 IonicContact CZ-OE1 2.74Å; R285-E329 VanDerWaalsContact CZ-OE1 3.22Å; R285-E329 IonicContact CZ-OE2 3.42Å; R285-E329 VanDerWaalsContact NH1-CD 3.31Å; R285-E329 IonicContact NH1-OE1 3.1Å; R285-E329 PolarHBondContact NH1-OE1 2.72Å; R285-E329 IonicContact NH1-OE2 2.74Å; R285-E329 PolarHBondContact NH1-OE2 3.17Å; R285-E329 IonicContact NH2-OE1 3.89Å; R285-E329 PolarHBondContact NH2-OE1 3.16Å; R285-E329 IonicContact NH2-OE2 3.79Å
286E94.9Very high89Confident81 Ų8166.6 Ų66.638%0.37935%0.346SS..EExtended strand (participates in β ladder)trans-139.3154.9178.2-172.9176.4160.200109.2R282 V288 V298 H300R282-E286 IonicContact CZ-OE2 3.67Å; R282-E286 IonicContact NH1-OE2 2.74Å; R282-E286 IonicContact NH2-OE2 3.74Å; R282-E286 PolarHBondContact NH2-OE2 3.06Å; E286-V288 HydrophobicContact CG-CG2 4.27Å; E286-V298 PolarHBondContact N-O 3.18Å; E286-V298 PolarHBondContact O-N 3.39Å; E286-H300 IonicContact OE2-NE2 2.75Å; E286-H300 PolarHBondContact OE2-NE2 2.83Å
287R92.2Very high88.9Confident120 Ų12066.1 Ų66.145%0.45334%0.342SS..EExtended strand (participates in β ladder)trans-106110.8163.7-80-175.5176.3-93.80.8108.5M296 E329R287-M296 WeakPolarHBondContact CA-O 3.24Å; R287-E329 IonicContact NH2-OE2 3.82Å
288V89.4Confident89Confident27 Ų2765.6 Ų65.616%0.16434%0.339CS..EExtended strand (participates in β ladder)trans-90.3125.3179.9178.70000109.4L166 E286 L290 G295 M296 V298L166-V288 HydrophobicContact CD1-CG1 4.37Å; L166-V288 HydrophobicContact CD1-CG2 4.31Å; E286-V288 HydrophobicContact CG-CG2 4.27Å; V288-L290 HydrophobicContact CG1-CD2 3.95Å; V288-L290 HydrophobicContact CG1-CG 4.49Å; V288-L290 PolarHBondContact O-N 3.29Å; V288-G295 WeakPolarHBondContact O-CA 3.22Å; V288-M296 PolarHBondContact N-O 2.87Å; V288-M296 PolarHBondContact O-N 3.16Å; V288-V298 HydrophobicContact CB-CG2 4.02Å; V288-V298 HydrophobicContact CG2-CB 4.19Å; V288-V298 HydrophobicContact CG2-CG2 3.56Å
289L85.8Confident89.1Confident138 Ų13862.1 Ų62.172%0.72333%0.326SS*.  trans-74.9117173.2-64176000109.1
290L81.8Confident89.4Confident13 Ų1352.5 Ų52.57%0.06829%0.289CS..  trans-108.5142.6173.1-59.2177.5000108.5L166 Q167 V288 G292 R293 M296L166-L290 HydrophobicContact CB-CD2 4.07Å; Q167-L290 HydrophobicContact CG-CD2 3.96Å; V288-L290 HydrophobicContact CG1-CD2 3.95Å; V288-L290 HydrophobicContact CG1-CG 4.49Å; V288-L290 PolarHBondContact O-N 3.29Å; L290-G292 PolarHBondContact O-N 3.38Å; L290-R293 HydrophobicContact CB-CB 4.4Å; L290-R293 PolarHBondContact O-N 2.85Å; L290-M296 HydrophobicContact CD1-CB 3.76Å; L290-M296 HydrophobicContact CD1-CE 4.2Å; L290-M296 HydrophobicContact CD1-CG 4.26Å; L290-M296 HydrophobicContact CG-CB 4.23Å
291P75.6Confident89.7Confident113 Ų11350.6 Ų50.673%0.73428%0.279SS*.THydrogen-bonded Turntrans-51.2126.2175-25.834.5000111
292G71.6Confident89.8Confident92 Ų9250.1 Ų50.195%0.94828%0.276SS*.THydrogen-bonded Turntrans83.61.7-179.400000116.2L290L290-G292 PolarHBondContact O-N 3.38Å
293R73.8Confident89.8Confident69 Ų6948.8 Ų48.826%0.2627%0.272SS..SBendtrans-123.3148176.4-71.6-173.8148.8-143.1-14.3112.3D171 F173 L290 G295D171-R293 VanDerWaalsContact CA-NH2 3.26Å; D171-R293 IonicContact OD1-CZ 3.49Å; D171-R293 IonicContact OD1-NE 2.79Å; D171-R293 PolarHBondContact OD1-NE 2.86Å; D171-R293 IonicContact OD1-NH2 2.69Å; D171-R293 PolarHBondContact OD1-NH2 2.88Å; F173-R293 PolarHBondContact O-NH1 3.41Å; L290-R293 HydrophobicContact CB-CB 4.4Å; L290-R293 PolarHBondContact O-N 2.85Å; R293-G295 PolarHBondContact O-N 3.04Å
294T70.6Confident89.7Confident148 Ų14848.2 Ų48.291%0.90827%0.268SS*.SBendtrans-71.2-13.7174.249.30000113.3
295G83.4Confident89.5Confident10 Ų1044.8 Ų44.810%0.10326%0.255CS..  trans144.5128.5170.500000112.4V288 R293V288-G295 WeakPolarHBondContact O-CA 3.22Å; R293-G295 PolarHBondContact O-N 3.04Å
296M90.1Very high89.3Confident0 Ų041.8 Ų41.80%025%0.254CS..EExtended strand (participates in β ladder)trans-86.1121.5176.8179.368.393.400110.3F173 V176 R287 V288 L290 V298F173-M296 WeakPolarHBondContact O-CE 3.48Å; V176-M296 HydrophobicContact CG2-CE 4.14Å; V176-M296 HydrophobicContact CG2-CG 3.92Å; V176-M296 HydrophobicContact CG2-SD 4.11Å; R287-M296 WeakPolarHBondContact CA-O 3.24Å; V288-M296 PolarHBondContact N-O 2.87Å; V288-M296 PolarHBondContact O-N 3.16Å; L290-M296 HydrophobicContact CD1-CB 3.76Å; L290-M296 HydrophobicContact CD1-CE 4.2Å; L290-M296 HydrophobicContact CD1-CG 4.26Å; L290-M296 HydrophobicContact CG-CB 4.23Å; M296-V298 HydrophobicContact CG-CG2 4.12Å; M296-V298 PolarHBondContact O-N 2.75Å
297P94.8Very high89Confident11 Ų1139.4 Ų39.47%0.07124%0.242CC..EExtended strand (participates in β ladder)trans-63.9124.2168.5-1932.4000110.8D174 L175 V176 C326 M330D174-P297 WeakPolarHBondContact O-CD 3.38Å; L175-P297 HydrophobicContact CD1-CB 4.45Å; L175-P297 HydrophobicContact CG-CB 4.33Å; V176-P297 PolarHBondContact N-O 3.29Å; P297-C326 HydrophobicContact CB-CB 4.31Å; P297-M330 HydrophobicContact CG-CE 3.98Å
298V97.3Very high89Confident0 Ų034.3 Ų34.30%023%0.227CC..EExtended strand (participates in β ladder)trans-125.1129.9177.1-1730000109.4L166 V176 N178 R285 E286 V288 M296 H300L166-V298 HydrophobicContact CD1-CG2 4.04Å; V176-V298 HydrophobicContact CB-CG1 4.27Å; V176-V298 HydrophobicContact CB-CG2 4.2Å; V176-V298 HydrophobicContact CG1-CG1 4.32Å; V176-V298 CarbonylContact O-C 3.51Å; V176-V298 VanDerWaalsContact O-CA 3.28Å; V176-V298 WeakPolarHBondContact O-CA 3.47Å; N178-V298 HydrophobicContact CB-CG1 4.34Å; R285-V298 CarbonylContact C-O 3.58Å; R285-V298 VanDerWaalsContact CA-O 3.27Å; R285-V298 WeakPolarHBondContact CA-O 3.46Å; E286-V298 PolarHBondContact N-O 3.18Å; E286-V298 PolarHBondContact O-N 3.39Å; V288-V298 HydrophobicContact CB-CG2 4.02Å; V288-V298 HydrophobicContact CG2-CB 4.19Å; V288-V298 HydrophobicContact CG2-CG2 3.56Å; M296-V298 HydrophobicContact CG-CG2 4.12Å; M296-V298 PolarHBondContact O-N 2.75Å; V298-H300 WeakPolarHBondContact CG1-CE1 3.45Å
299V98.8Very high89.3Confident0 Ų033.6 Ų33.60%022%0.223CC..EExtended strand (participates in β ladder)trans-106.5118.6168.2177.40000107.9V176 V177 N178 E284 R285 A319 L322 V323V176-V299 PolarHBondContact O-N 3.06Å; V177-V299 CarbonylContact C-O 3.35Å; V177-V299 VanDerWaalsContact CA-O 3.26Å; V177-V299 WeakPolarHBondContact CA-O 3.49Å; V177-V299 HydrophobicContact CG1-CB 4.33Å; V177-V299 HydrophobicContact CG1-CG1 4.4Å; V177-V299 HydrophobicContact CG2-CB 4.44Å; N178-V299 PolarHBondContact N-O 3.07Å; E284-V299 CarbonylContact O-C 3.42Å; E284-V299 WeakPolarHBondContact O-CA 3.26Å; R285-V299 HydrophobicContact CB-CG2 4.23Å; V299-A319 HydrophobicContact CG1-CB 4.07Å; V299-L322 HydrophobicContact CG1-CB 3.86Å; V299-L322 HydrophobicContact CG1-CD1 3.95Å; V299-L322 HydrophobicContact CG2-CB 3.95Å; V299-V323 HydrophobicContact CB-CG2 4.45Å; V299-V323 HydrophobicContact CG2-CG2 4Å
300H98.8Very high89.7Confident1 Ų127.9 Ų27.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-87.5136.2175.3-63.1-59.1000110.1N178 R282 V283 E284 E286 V298 Y302N178-H300 PolarHBondContact ND2-ND1 3.39Å; R282-H300 HydrophobicContact CG-CB 4.08Å; R282-H300 VanDerWaalsContact CZ-CD2 3.5Å; R282-H300 CarbonylContact O-C 3.11Å; V283-H300 VanDerWaalsContact CA-O 3.25Å; V283-H300 WeakPolarHBondContact CA-O 3.49Å; E284-H300 PolarHBondContact N-O 3.48Å; E284-H300 PolarHBondContact O-N 3.23Å; E286-H300 IonicContact OE2-NE2 2.75Å; E286-H300 PolarHBondContact OE2-NE2 2.83Å; V298-H300 WeakPolarHBondContact CG1-CE1 3.45Å; H300-Y302 HydrophobicContact CB-CD1 4Å; H300-Y302 HydrophobicContact CB-CE1 3.66Å; H300-Y302 AromaticContact CG-CE1 3.76Å; H300-Y302 AromaticContact ND1-CE1 3.58Å
301N98.8Very high90.3Very high0 Ų027.2 Ų27.20%019%0.19CC..EExtended strand (participates in β ladder)trans-145.978.3170.4-173.810.6000109.1V14 T18 N178 C179 R282 H304 T315 A319V14-N301 HydrophobicContact CG1-CB 4.37Å; V14-N301 VanDerWaalsContact CG1-ND2 3.31Å; V14-N301 WeakPolarHBondContact CG1-ND2 3.31Å; V14-N301 WeakPolarHBondContact CG1-O 3.5Å; T18-N301 PolarHBondContact OG1-ND2 2.84Å; N178-N301 CarbonylContact O-C 3.56Å; N178-N301 PolarHBondContact O-N 3.18Å; C179-N301 WeakPolarHBondContact CA-O 3.34Å; R282-N301 VanDerWaalsContact O-CA 3.28Å; R282-N301 WeakPolarHBondContact O-CA 3.47Å; R282-N301 PolarHBondContact O-N 3.32Å; N301-H304 PolarHBondContact O-CE1 2.7Å; N301-H304 PolarHBondContact OD1-CE1 2.77Å; N301-H304 PolarHBondContact OD1-NE2 2.9Å; N301-T315 WeakPolarHBondContact OD1-CB 3.5Å; N301-A319 HydrophobicContact CB-CB 4.25Å
302Y98.6Very high91.4Very high1 Ų121.9 Ų21.90%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-149.5178.5-178.266.1-98000112.5S184 V188 D190 V193 P281 R282 H300 H304S184-Y302 VanDerWaalsContact CB-CE2 3.45Å; S184-Y302 WeakPolarHBondContact OG-CD1 3.08Å; S184-Y302 WeakPolarHBondContact OG-CD2 3.27Å; S184-Y302 VanDerWaalsContact OG-CE1 3.31Å; S184-Y302 WeakPolarHBondContact OG-CE1 3.35Å; V188-Y302 HydrophobicContact CG2-CE1 4.4Å; D190-Y302 HydrophobicContact CB-CE2 4.27Å; D190-Y302 WeakPolarHBondContact CB-OH 3.45Å; D190-Y302 VanDerWaalsContact OD2-CE2 3.26Å; D190-Y302 WeakPolarHBondContact OD2-CE2 3.43Å; D190-Y302 PolarHBondContact OD2-OH 3.05Å; V193-Y302 HydrophobicContact CG2-CD2 3.94Å; V193-Y302 HydrophobicContact CG2-CE2 3.57Å; P281-Y302 CarbonylContact C-O 3.57Å; P281-Y302 WeakPolarHBondContact CA-O 3.28Å; R282-Y302 HydrophobicContact CB-CE1 4.34Å; R282-Y302 HydrophobicContact CB-CE2 4.11Å; R282-Y302 VanDerWaalsContact CD-CZ 3.45Å; R282-Y302 WeakPolarHBondContact CD-OH 3.4Å; R282-Y302 PolarHBondContact N-O 3.21Å; R282-Y302 PolarHBondContact NH1-OH 3.08Å; R282-Y302 PolarHBondContact O-N 2.73Å; R282-Y302 VanDerWaalsContact O-N 3.14Å; H300-Y302 HydrophobicContact CB-CD1 4Å; H300-Y302 HydrophobicContact CB-CE1 3.66Å; H300-Y302 AromaticContact CG-CE1 3.76Å; H300-Y302 AromaticContact ND1-CE1 3.58Å; Y302-H304 VanDerWaalsContact C-ND1 3.35Å; Y302-H304 VanDerWaalsContact CA-CE1 3.44Å; Y302-H304 WeakPolarHBondContact CA-CE1 3.42Å; Y302-H304 WeakPolarHBondContact CA-ND1 3.21Å
303G97.3Very high92.6Very high2 Ų218.1 Ų18.12%0.02111%0.113CC..EExtended strand (participates in β ladder)trans85.925.6176.100000113.8P276 G305P276-G303 CarbonylContact O-C 3.53Å; P276-G303 VanDerWaalsContact O-CA 3.23Å; P276-G303 WeakPolarHBondContact O-CA 3.46Å; G303-G305 VanDerWaalsContact C-N 3.28Å; G303-G305 PolarHBondContact O-N 2.93Å
304H96Very high93.8Very high6 Ų614.8 Ų14.83%0.02810%0.1CC..EExtended strand (participates in β ladder)trans-74.6-10.7-173.9-5571.1000114.6P276 N301 Y302 G306 W307 T315P276-H304 PolarHBondContact O-N 3.18Å; N301-H304 PolarHBondContact O-CE1 2.7Å; N301-H304 PolarHBondContact OD1-CE1 2.77Å; N301-H304 PolarHBondContact OD1-NE2 2.9Å; Y302-H304 VanDerWaalsContact C-ND1 3.35Å; Y302-H304 VanDerWaalsContact CA-CE1 3.44Å; Y302-H304 WeakPolarHBondContact CA-CE1 3.42Å; Y302-H304 WeakPolarHBondContact CA-ND1 3.21Å; H304-G306 PolarHBondContact O-N 3.05Å; H304-W307 WeakPolarHBondContact O-CA 3.44Å; H304-W307 WeakPolarHBondContact O-CB 3.44Å; H304-W307 PolarHBondContact O-N 2.84Å; H304-T315 PolarHBondContact NE2-OG1 3.18Å
305G93.9Very high95.1Very high13 Ų137.8 Ų7.813%0.1346%0.057CC..G310 helixtrans53.3-126.4-178.700000112.4P276 G303 W307P276-G305 WeakPolarHBondContact O-CA 3.46Å; P276-G305 PolarHBondContact O-N 3.27Å; G303-G305 VanDerWaalsContact C-N 3.28Å; G303-G305 PolarHBondContact O-N 2.93Å; G305-W307 VanDerWaalsContact C-N 3.26Å; G305-W307 PolarHBondContact O-N 2.82Å
306G91.4Very high95.8Very high33 Ų337.3 Ų7.334%0.345%0.052SC..G310 helixtrans-79.40.1175.900000115.3H304H304-G306 PolarHBondContact O-N 3.05Å
307W88.5Confident96.3Very high30 Ų3010.8 Ų10.811%0.1147%0.07CC..G310 helixtrans-93.6-9.9-174.7-51110000114.5A51 P52 F53 P54 H304 G305 V309 T310 I311A51-W307 HydrophobicContact CB-CE3 4.43Å; A51-W307 HydrophobicContact CB-CH2 3.14Å; A51-W307 HydrophobicContact CB-CZ2 4.42Å; A51-W307 HydrophobicContact CB-CZ3 3.17Å; A51-W307 WeakPolarHBondContact O-CZ3 3.43Å; P52-W307 HydrophobicContact CB-CH2 3.75Å; P52-W307 HydrophobicContact CB-CZ2 3.79Å; P52-W307 HydrophobicContact CG-CH2 3.47Å; P52-W307 VanDerWaalsContact CG-CH2 3.47Å; P52-W307 HydrophobicContact CG-CZ2 3.66Å; P52-W307 VanDerWaalsContact N-CZ3 3.28Å; P52-W307 WeakPolarHBondContact O-CH2 3.42Å; P52-W307 VanDerWaalsContact O-CZ2 3.29Å; P52-W307 WeakPolarHBondContact O-CZ2 3.28Å; P52-W307 WeakPolarHBondContact O-CZ3 3.22Å; F53-W307 VanDerWaalsContact CA-CE2 3.42Å; F53-W307 VanDerWaalsContact N-CZ2 3.27Å; P54-W307 HydrophobicContact CG-CG 4.37Å; H304-W307 WeakPolarHBondContact O-CA 3.44Å; H304-W307 WeakPolarHBondContact O-CB 3.44Å; H304-W307 PolarHBondContact O-N 2.84Å; G305-W307 VanDerWaalsContact C-N 3.26Å; G305-W307 PolarHBondContact O-N 2.82Å; W307-V309 VanDerWaalsContact C-N 3.3Å; W307-V309 PolarHBondContact O-N 3.37Å; W307-V309 VanDerWaalsContact O-N 3.1Å; W307-T310 WeakPolarHBondContact O-CA 3.25Å; W307-T310 WeakPolarHBondContact O-CB 3.48Å; W307-T310 PolarHBondContact O-N 3.4Å; W307-I311 HydrophobicContact CB-CD1 3.8Å; W307-I311 HydrophobicContact CB-CG1 3.9Å; W307-I311 WeakPolarHBondContact O-CG1 3.47Å; W307-I311 PolarHBondContact O-N 2.84Å
308G93.8Very high96.4Very high14 Ų1411.8 Ų11.814%0.1448%0.075CC..THydrogen-bonded Turntrans-45.7-52.2-164.600000113.6A312G308-A312 WeakPolarHBondContact O-CA 3.49Å; G308-A312 VanDerWaalsContact O-CB 3.24Å; G308-A312 WeakPolarHBondContact O-CB 3.27Å; G308-A312 PolarHBondContact O-N 3.46Å
309V94.9Very high96.5Very high12 Ų1211.8 Ų11.87%0.0738%0.075CC..THydrogen-bonded Turntrans-66.9-46.7178.6-176.40000111.7V13 A47 C138 W307 I311 A312V13-V309 HydrophobicContact CG1-CG2 4.18Å; A47-V309 HydrophobicContact CB-CG2 3.71Å; C138-V309 HydrophobicContact CB-CG1 3.86Å; W307-V309 VanDerWaalsContact C-N 3.3Å; W307-V309 PolarHBondContact O-N 3.37Å; W307-V309 VanDerWaalsContact O-N 3.1Å; V309-I311 VanDerWaalsContact C-N 3.25Å; V309-I311 PolarHBondContact O-N 3.14Å; V309-A312 PolarHBondContact O-N 2.81Å
310T94.1Very high96.5Very high17 Ų1712.3 Ų12.310%0.1048%0.078CC..THydrogen-bonded Turntrans-61.8-28.3-175.1-46.80000113.7G49 F53 F65 S68 W307G49-T310 PolarHBondContact O-OG1 2.8Å; F53-T310 HydrophobicContact CE2-CG2 3.92Å; F53-T310 HydrophobicContact CZ-CG2 3.61Å; F65-T310 HydrophobicContact CD2-CG2 3.72Å; F65-T310 HydrophobicContact CE2-CG2 3.71Å; S68-T310 WeakPolarHBondContact CB-O 3.3Å; W307-T310 WeakPolarHBondContact O-CA 3.25Å; W307-T310 WeakPolarHBondContact O-CB 3.48Å; W307-T310 PolarHBondContact O-N 3.4Å
311I95.3Very high96.5Very high0 Ų013.6 Ų13.60%09%0.092CC..THydrogen-bonded Turntrans-123.413.8-178.264.9173.2000114F53 W64 S68 P281 W307 V309 W313 G314 T315F53-I311 HydrophobicContact CD1-CG2 4.26Å; F53-I311 HydrophobicContact CE1-CG2 3.34Å; F53-I311 HydrophobicContact CZ-CG2 3.9Å; W64-I311 HydrophobicContact CB-CB 4.24Å; W64-I311 HydrophobicContact CB-CG2 4.24Å; W64-I311 HydrophobicContact CE3-CD1 4.05Å; W64-I311 HydrophobicContact CZ3-CD1 4.43Å; S68-I311 VanDerWaalsContact OG-C 3.23Å; S68-I311 VanDerWaalsContact OG-CA 3.28Å; S68-I311 WeakPolarHBondContact OG-CA 3.47Å; P281-I311 HydrophobicContact CG-CD1 4.23Å; W307-I311 HydrophobicContact CB-CD1 3.8Å; W307-I311 HydrophobicContact CB-CG1 3.9Å; W307-I311 WeakPolarHBondContact O-CG1 3.47Å; W307-I311 PolarHBondContact O-N 2.84Å; V309-I311 VanDerWaalsContact C-N 3.25Å; V309-I311 PolarHBondContact O-N 3.14Å; I311-W313 VanDerWaalsContact C-N 3.32Å; I311-W313 PolarHBondContact O-N 3.2Å; I311-G314 PolarHBondContact O-N 2.74Å; I311-T315 HydrophobicContact CB-CG2 4.39Å; I311-T315 HydrophobicContact CD1-CG2 3.96Å; I311-T315 HydrophobicContact CG1-CG2 4.13Å; I311-T315 WeakPolarHBondContact O-CG2 3.33Å; I311-T315 PolarHBondContact O-N 3.02Å; I311-T315 PolarHBondContact O-OG1 3.4Å
312A96.9Very high96.5Very high1 Ų114.9 Ų14.91%0.00810%0.098CC..Hα-helixtrans-57.5-42.7-172.800000112.8V13 S17 G308 V309 T315 A316V13-A312 HydrophobicContact CG1-CB 4.23Å; V13-A312 HydrophobicContact CG2-CB 3.88Å; S17-A312 PolarHBondContact OG-O 3.48Å; S17-A312 VanDerWaalsContact OG-O 3.06Å; G308-A312 WeakPolarHBondContact O-CA 3.49Å; G308-A312 VanDerWaalsContact O-CB 3.24Å; G308-A312 WeakPolarHBondContact O-CB 3.27Å; G308-A312 PolarHBondContact O-N 3.46Å; V309-A312 PolarHBondContact O-N 2.81Å; A312-T315 PolarHBondContact O-OG1 3.21Å; A312-A316 WeakPolarHBondContact O-CB 3.38Å; A312-A316 PolarHBondContact O-N 3.2Å
313W98.3Very high96.5Very high12 Ų1214.8 Ų14.85%0.04510%0.098CC..Hα-helixtrans-81.4-39.9-176.1-79.891.9000112.5V20 C21 S68 H71 Y143 L147 R150 I311 T315 A316 L317V20-W313 HydrophobicContact CB-CH2 4.31Å; V20-W313 HydrophobicContact CG1-CH2 3.84Å; C21-W313 VanDerWaalsContact SG-CE3 3.57Å; C21-W313 WeakPolarHBondContact SG-CZ3 3.38Å; S68-W313 PolarHBondContact OG-N 3.49Å; H71-W313 HydrophobicContact CB-CB 4.26Å; H71-W313 HydrophobicContact CB-CD2 4.32Å; H71-W313 HydrophobicContact CB-CG 4.02Å; H71-W313 AromaticContact CD2-CD1 3.34Å; H71-W313 AromaticContact CD2-CD2 3.51Å; H71-W313 AromaticContact CD2-CE2 3.18Å; H71-W313 AromaticContact CD2-CG 3.63Å; H71-W313 AromaticContact CD2-CZ2 3.77Å; H71-W313 AromaticContact CD2-NE1 3.06Å; H71-W313 PolarHBondContact CD2-NE1 3.38Å; H71-W313 AromaticContact CE1-CE2 3.69Å; H71-W313 AromaticContact CE1-CH2 3.7Å; H71-W313 AromaticContact CE1-CZ2 3.52Å; H71-W313 AromaticContact CE1-CZ3 3.99Å; H71-W313 AromaticContact CG-CD1 3.88Å; H71-W313 AromaticContact CG-CD2 3.6Å; H71-W313 AromaticContact CG-CE2 3.76Å; H71-W313 AromaticContact CG-CG 3.72Å; H71-W313 AromaticContact CG-NE1 3.91Å; H71-W313 AromaticContact ND1-CD2 3.91Å; H71-W313 AromaticContact ND1-CE3 3.97Å; H71-W313 AromaticContact NE2-CD2 3.78Å; H71-W313 AromaticContact NE2-CE2 3.11Å; H71-W313 AromaticContact NE2-CH2 3.82Å; H71-W313 AromaticContact NE2-CZ2 3.14Å; H71-W313 WeakPolarHBondContact NE2-CZ2 3.49Å; H71-W313 AromaticContact NE2-NE1 3.37Å; H71-W313 PolarHBondContact NE2-NE1 2.96Å; Y143-W313 AromaticContact CZ-NE1 3.87Å; Y143-W313 PolarHBondContact OH-NE1 3.24Å; L147-W313 HydrophobicContact CD2-CZ2 3.8Å; R150-W313 VanDerWaalsContact NH1-CH2 3.28Å; I311-W313 VanDerWaalsContact C-N 3.32Å; I311-W313 PolarHBondContact O-N 3.2Å; W313-T315 VanDerWaalsContact C-N 3.32Å; W313-T315 PolarHBondContact O-N 2.85Å; W313-A316 WeakPolarHBondContact O-CB 3.31Å; W313-A316 PolarHBondContact O-N 2.75Å; W313-L317 WeakPolarHBondContact O-CG 3.42Å; W313-L317 PolarHBondContact O-N 3.36Å
314G98Very high96.5Very high0 Ų020.1 Ų20.10%012%0.117CC..Hα-helixtrans-60.4-42.3174.300000112.5W64 S68 I311 D318W64-G314 VanDerWaalsContact CD1-C 3.47Å; S68-G314 PolarHBondContact OG-N 3.31Å; I311-G314 PolarHBondContact O-N 2.74Å; G314-D318 PolarHBondContact O-N 2.81Å
315T98.4Very high96.6Very high0 Ų024 Ų240%014%0.135CC..Hα-helixtrans-72.4-34174.656.90000112.6W64 V283 N301 H304 I311 A312 W313 D318 A319W64-T315 HydrophobicContact CD2-CG2 3.64Å; W64-T315 HydrophobicContact CE3-CG2 3.69Å; W64-T315 HydrophobicContact CG-CG2 4.18Å; W64-T315 HydrophobicContact CH2-CG2 4.07Å; W64-T315 HydrophobicContact CZ2-CG2 4.03Å; W64-T315 HydrophobicContact CZ3-CG2 3.91Å; V283-T315 HydrophobicContact CG2-CG2 4.09Å; N301-T315 WeakPolarHBondContact OD1-CB 3.5Å; H304-T315 PolarHBondContact NE2-OG1 3.18Å; I311-T315 HydrophobicContact CB-CG2 4.39Å; I311-T315 HydrophobicContact CD1-CG2 3.96Å; I311-T315 HydrophobicContact CG1-CG2 4.13Å; I311-T315 WeakPolarHBondContact O-CG2 3.33Å; I311-T315 PolarHBondContact O-N 3.02Å; I311-T315 PolarHBondContact O-OG1 3.4Å; A312-T315 PolarHBondContact O-OG1 3.21Å; W313-T315 VanDerWaalsContact C-N 3.32Å; W313-T315 PolarHBondContact O-N 2.85Å; T315-D318 PolarHBondContact O-N 3.02Å; T315-A319 WeakPolarHBondContact O-CB 3.49Å; T315-A319 PolarHBondContact O-N 2.92Å
316A98.9Very high96.7Very high0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-63.4-40.3173.100000113C21 A312 W313 A319 L320C21-A316 HydrophobicContact CB-CB 4.5Å; A312-A316 WeakPolarHBondContact O-CB 3.38Å; A312-A316 PolarHBondContact O-N 3.2Å; W313-A316 WeakPolarHBondContact O-CB 3.31Å; W313-A316 PolarHBondContact O-N 2.75Å; A316-A319 PolarHBondContact O-N 3Å; A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 PolarHBondContact O-N 3.11Å
317L98.8Very high96.8Very high73 Ų7322 Ų2238%0.38211%0.114SC..Hα-helixtrans-67.2-38.7176.2-70.4173.9000112D67 W313 L320 G321D67-L317 HydrophobicContact CB-CD1 3.93Å; W313-L317 WeakPolarHBondContact O-CG 3.42Å; W313-L317 PolarHBondContact O-N 3.36Å; L317-L320 HydrophobicContact CD2-CD2 4.42Å; L317-L320 WeakPolarHBondContact O-CB 3.42Å; L317-L320 PolarHBondContact O-N 3.41Å; L317-G321 PolarHBondContact O-N 3.02Å
318D98.4Very high97Very high32 Ų3227.9 Ų27.917%0.17114%0.141CC..Hα-helixtrans-64.4-43.9171.9-97.25.1000111.5R63 W64 V283 G314 T315 L320 G321 L322R63-D318 IonicContact CZ-OD1 2.9Å; R63-D318 IonicContact CZ-OD2 3.82Å; R63-D318 IonicContact NH1-OD1 3.99Å; R63-D318 PolarHBondContact NH1-OD1 3.18Å; R63-D318 IonicContact NH2-OD1 3.22Å; R63-D318 PolarHBondContact NH2-OD1 3.11Å; R63-D318 IonicContact NH2-OD2 3.83Å; R63-D318 PolarHBondContact NH2-OD2 2.93Å; W64-D318 VanDerWaalsContact NE1-CG 3.34Å; W64-D318 PolarHBondContact NE1-OD2 2.82Å; V283-D318 HydrophobicContact CG1-CB 3.96Å; G314-D318 PolarHBondContact O-N 2.81Å; T315-D318 PolarHBondContact O-N 3.02Å; D318-L320 VanDerWaalsContact C-N 3.34Å; D318-L320 PolarHBondContact O-N 3.07Å; D318-G321 WeakPolarHBondContact O-CA 3.33Å; D318-G321 PolarHBondContact O-N 3.43Å; D318-G321 VanDerWaalsContact O-N 3.12Å; D318-L322 WeakPolarHBondContact O-CG 3.34Å; D318-L322 PolarHBondContact O-N 3.27Å
319A98.8Very high96.8Very high0 Ų031.2 Ų31.20%015%0.153CC..Hα-helixtrans-61-41.4175.200000111.8T18 V299 N301 T315 A316 G321 L322 V323T18-A319 HydrophobicContact CG2-CB 3.99Å; V299-A319 HydrophobicContact CG1-CB 4.07Å; N301-A319 HydrophobicContact CB-CB 4.25Å; T315-A319 WeakPolarHBondContact O-CB 3.49Å; T315-A319 PolarHBondContact O-N 2.92Å; A316-A319 PolarHBondContact O-N 3Å; A319-G321 VanDerWaalsContact C-N 3.3Å; A319-G321 PolarHBondContact O-N 3.24Å; A319-L322 WeakPolarHBondContact O-CB 3.36Å; A319-L322 PolarHBondContact O-N 2.9Å; A319-L322 VanDerWaalsContact O-N 3.12Å; A319-V323 WeakPolarHBondContact O-CG2 3.44Å; A319-V323 PolarHBondContact O-N 2.75Å
320L98.8Very high96.3Very high11 Ų1132.1 Ų32.16%0.05816%0.156CC..Hα-helixtrans-57.4-42.8172.2172.665.1000111.6C21 I22 L26 A316 L317 D318 L322 V323 R324C21-L320 HydrophobicContact CB-CB 4.46Å; C21-L320 HydrophobicContact CB-CD2 4.34Å; I22-L320 HydrophobicContact CG1-CD1 4.1Å; L26-L320 HydrophobicContact CD1-CD1 3.56Å; L26-L320 HydrophobicContact CG-CD1 3.86Å; A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 PolarHBondContact O-N 3.11Å; L317-L320 HydrophobicContact CD2-CD2 4.42Å; L317-L320 WeakPolarHBondContact O-CB 3.42Å; L317-L320 PolarHBondContact O-N 3.41Å; D318-L320 VanDerWaalsContact C-N 3.34Å; D318-L320 PolarHBondContact O-N 3.07Å; L320-L322 VanDerWaalsContact C-N 3.31Å; L320-L322 PolarHBondContact O-N 3.46Å; L320-V323 PolarHBondContact O-N 2.96Å; L320-R324 WeakPolarHBondContact O-CG 3.35Å; L320-R324 PolarHBondContact O-N 3.31Å
321G98.5Very high95.2Very high29 Ų2937.7 Ų37.730%0.29919%0.193SC..Hα-helixtrans-59.7-40.5174.400000112.8L317 D318 A319 R324 Q325L317-G321 PolarHBondContact O-N 3.02Å; D318-G321 WeakPolarHBondContact O-CA 3.33Å; D318-G321 PolarHBondContact O-N 3.43Å; D318-G321 VanDerWaalsContact O-N 3.12Å; A319-G321 VanDerWaalsContact C-N 3.3Å; A319-G321 PolarHBondContact O-N 3.24Å; G321-R324 WeakPolarHBondContact O-CB 3.35Å; G321-R324 PolarHBondContact O-N 2.85Å; G321-Q325 WeakPolarHBondContact O-CG 3.48Å; G321-Q325 PolarHBondContact O-N 2.92Å
322L98.7Very high93.7Very high26 Ų2641.6 Ų41.614%0.13623%0.233CC..Hα-helixtrans-69.3-39.5175.7-65.1170.3000112.1V283 R285 V299 D318 A319 L320 R324 Q325 C326V283-L322 HydrophobicContact CG1-CD1 4.22Å; R285-L322 HydrophobicContact CB-CD2 4.44Å; R285-L322 HydrophobicContact CG-CD2 4.36Å; V299-L322 HydrophobicContact CG1-CB 3.86Å; V299-L322 HydrophobicContact CG1-CD1 3.95Å; V299-L322 HydrophobicContact CG2-CB 3.95Å; D318-L322 WeakPolarHBondContact O-CG 3.34Å; D318-L322 PolarHBondContact O-N 3.27Å; A319-L322 WeakPolarHBondContact O-CB 3.36Å; A319-L322 PolarHBondContact O-N 2.9Å; A319-L322 VanDerWaalsContact O-N 3.12Å; L320-L322 VanDerWaalsContact C-N 3.31Å; L320-L322 PolarHBondContact O-N 3.46Å; L322-R324 VanDerWaalsContact C-N 3.34Å; L322-R324 PolarHBondContact O-N 3.49Å; L322-Q325 WeakPolarHBondContact O-CB 3.13Å; L322-Q325 PolarHBondContact O-N 2.99Å; L322-Q325 VanDerWaalsContact O-N 3.15Å; L322-C326 PolarHBondContact O-N 3.32Å; L322-C326 PolarHBondContact O-SG 3.11Å; L322-C326 VanDerWaalsContact O-SG 3.41Å
323V98.5Very high91.6Very high0 Ų043.3 Ų43.30%025%0.247CC..Hα-helixtrans-58.6-46.5172.6171.20000110.2I22 L26 L175 V177 V299 A319 L320 Q325 C326 L327I22-V323 HydrophobicContact CD1-CG2 3.97Å; I22-V323 HydrophobicContact CG1-CG2 4.45Å; L26-V323 HydrophobicContact CD1-CG1 3.74Å; L175-V323 HydrophobicContact CD1-CG1 4.14Å; L175-V323 HydrophobicContact CD2-CG1 4.49Å; L175-V323 HydrophobicContact CD2-CG2 3.97Å; V177-V323 HydrophobicContact CG2-CG2 3.84Å; V299-V323 HydrophobicContact CB-CG2 4.45Å; V299-V323 HydrophobicContact CG2-CG2 4Å; A319-V323 WeakPolarHBondContact O-CG2 3.44Å; A319-V323 PolarHBondContact O-N 2.75Å; L320-V323 PolarHBondContact O-N 2.96Å; V323-Q325 VanDerWaalsContact C-N 3.26Å; V323-Q325 PolarHBondContact O-N 3.24Å; V323-C326 WeakPolarHBondContact O-CB 3.42Å; V323-C326 PolarHBondContact O-N 3.37Å; V323-C326 VanDerWaalsContact O-N 3.11Å; V323-L327 HydrophobicContact CG1-CD1 4.31Å; V323-L327 HydrophobicContact CG1-CG 4.39Å; V323-L327 WeakPolarHBondContact O-CG 3.44Å; V323-L327 PolarHBondContact O-N 2.94Å
324R97.8Very high89.2Confident114 Ų11451.9 Ų51.943%0.4329%0.285SS..Hα-helixtrans-56.8-38.3175.1-75.3178176.4-149.9-5.4112.8L26 L320 G321 L322 K328L26-R324 HydrophobicContact CD1-CG 4.29Å; L26-R324 HydrophobicContact CD2-CG 3.81Å; L320-R324 WeakPolarHBondContact O-CG 3.35Å; L320-R324 PolarHBondContact O-N 3.31Å; G321-R324 WeakPolarHBondContact O-CB 3.35Å; G321-R324 PolarHBondContact O-N 2.85Å; L322-R324 VanDerWaalsContact C-N 3.34Å; L322-R324 PolarHBondContact O-N 3.49Å; R324-K328 WeakPolarHBondContact O-CG 3.33Å; R324-K328 PolarHBondContact O-N 3.02Å
325Q97.1Very high87.1Confident86 Ų8657.9 Ų57.940%0.40232%0.316SS..Hα-helixtrans-66.1-45.9175.6-68.1171.920.100111.4G321 L322 V323 L327 K328 E329G321-Q325 WeakPolarHBondContact O-CG 3.48Å; G321-Q325 PolarHBondContact O-N 2.92Å; L322-Q325 WeakPolarHBondContact O-CB 3.13Å; L322-Q325 PolarHBondContact O-N 2.99Å; L322-Q325 VanDerWaalsContact O-N 3.15Å; V323-Q325 VanDerWaalsContact C-N 3.26Å; V323-Q325 PolarHBondContact O-N 3.24Å; Q325-L327 VanDerWaalsContact C-N 3.3Å; Q325-L327 PolarHBondContact O-N 3.03Å; Q325-K328 PolarHBondContact O-N 3.03Å; Q325-E329 PolarHBondContact O-N 2.96Å
326C95.8Very high86.6Confident4 Ų460.8 Ų60.83%0.02733%0.332CS..Hα-helixtrans-58.3-42.3176-66.20000111.7L175 P297 L322 V323 K328 E329 M330L175-C326 HydrophobicContact CD1-CB 3.42Å; L175-C326 VanDerWaalsContact CD1-CB 3.42Å; P297-C326 HydrophobicContact CB-CB 4.31Å; L322-C326 PolarHBondContact O-N 3.32Å; L322-C326 PolarHBondContact O-SG 3.11Å; L322-C326 VanDerWaalsContact O-SG 3.41Å; V323-C326 WeakPolarHBondContact O-CB 3.42Å; V323-C326 PolarHBondContact O-N 3.37Å; V323-C326 VanDerWaalsContact O-N 3.11Å; C326-K328 PolarHBondContact O-N 3.13Å; C326-E329 PolarHBondContact O-N 3.05Å; C326-E329 VanDerWaalsContact O-N 3.14Å; C326-M330 WeakPolarHBondContact O-CG 3.48Å; C326-M330 PolarHBondContact O-N 2.82Å
327L94.3Very high85.9Confident1 Ų164 Ų641%0.00535%0.349CS..Hα-helixtrans-60.8-39.9177.1-66.2178.3000112.7V4 L26 V28 V323 Q325 E329 M330 A333 L335V4-L327 HydrophobicContact CB-CD2 4.03Å; V4-L327 HydrophobicContact CG1-CD2 3.68Å; V4-L327 HydrophobicContact CG2-CD2 3.94Å; L26-L327 HydrophobicContact CD1-CD1 3.93Å; L26-L327 HydrophobicContact CD2-CD1 4.42Å; V28-L327 HydrophobicContact CG2-CD1 4.34Å; V323-L327 HydrophobicContact CG1-CD1 4.31Å; V323-L327 HydrophobicContact CG1-CG 4.39Å; V323-L327 WeakPolarHBondContact O-CG 3.44Å; V323-L327 PolarHBondContact O-N 2.94Å; Q325-L327 VanDerWaalsContact C-N 3.3Å; Q325-L327 PolarHBondContact O-N 3.03Å; L327-E329 PolarHBondContact O-N 3.28Å; L327-M330 HydrophobicContact CD2-SD 3.85Å; L327-M330 WeakPolarHBondContact O-CB 3.4Å; L327-M330 PolarHBondContact O-N 3.33Å; L327-M330 VanDerWaalsContact O-N 3.13Å; L327-A333 WeakPolarHBondContact O-CB 3.37Å; L327-L335 HydrophobicContact CB-CD2 4.23Å; L327-L335 HydrophobicContact CD1-CD2 4Å
328K92.1Very high85.2Confident154 Ų15463.5 Ų63.567%0.6735%0.347SS*.Hα-helixtrans-63.1-27.3176.5-71.2177-177.7-175.90113.2R324 Q325 C326 L335R324-K328 WeakPolarHBondContact O-CG 3.33Å; R324-K328 PolarHBondContact O-N 3.02Å; Q325-K328 PolarHBondContact O-N 3.03Å; C326-K328 PolarHBondContact O-N 3.13Å; K328-L335 HydrophobicContact CB-CD1 4.47Å; K328-L335 HydrophobicContact CD-CD1 4.25Å; K328-L335 HydrophobicContact CG-CD1 3.33Å
329E89.6Confident84.4Confident84 Ų8465.4 Ų65.439%0.39336%0.358SS..THydrogen-bonded Turntrans-89.4-4.6179.6-64.6174.6-174.300112.5R285 R287 Q325 C326 L327R285-E329 IonicContact CZ-OE1 2.74Å; R285-E329 VanDerWaalsContact CZ-OE1 3.22Å; R285-E329 IonicContact CZ-OE2 3.42Å; R285-E329 VanDerWaalsContact NH1-CD 3.31Å; R285-E329 IonicContact NH1-OE1 3.1Å; R285-E329 PolarHBondContact NH1-OE1 2.72Å; R285-E329 IonicContact NH1-OE2 2.74Å; R285-E329 PolarHBondContact NH1-OE2 3.17Å; R285-E329 IonicContact NH2-OE1 3.89Å; R285-E329 PolarHBondContact NH2-OE1 3.16Å; R285-E329 IonicContact NH2-OE2 3.79Å; R287-E329 IonicContact NH2-OE2 3.82Å; Q325-E329 PolarHBondContact O-N 2.96Å; C326-E329 PolarHBondContact O-N 3.05Å; C326-E329 VanDerWaalsContact O-N 3.14Å; L327-E329 PolarHBondContact O-N 3.28Å
330M86.1Confident83.5Confident31 Ų3169.4 Ų69.415%0.15338%0.38CS..SBendtrans-83130.2178.1-74.3177.217200111.2V4 D174 L175 P297 C326 L327 G332 A333V4-M330 HydrophobicContact CG1-CE 4.28Å; V4-M330 HydrophobicContact CG1-SD 3.88Å; V4-M330 HydrophobicContact CG2-SD 4.48Å; D174-M330 HydrophobicContact CB-CE 4.02Å; D174-M330 WeakPolarHBondContact O-CE 3.24Å; L175-M330 HydrophobicContact CB-CE 3.99Å; L175-M330 HydrophobicContact CD1-CE 4.23Å; P297-M330 HydrophobicContact CG-CE 3.98Å; C326-M330 WeakPolarHBondContact O-CG 3.48Å; C326-M330 PolarHBondContact O-N 2.82Å; L327-M330 HydrophobicContact CD2-SD 3.85Å; L327-M330 WeakPolarHBondContact O-CB 3.4Å; L327-M330 PolarHBondContact O-N 3.33Å; L327-M330 VanDerWaalsContact O-N 3.13Å; M330-G332 PolarHBondContact O-N 2.78Å; M330-A333 HydrophobicContact CB-CB 4.12Å; M330-A333 PolarHBondContact O-N 3.41Å
331P69.9Low82.5Confident134 Ų13473.3 Ų73.387%0.8740%0.402SS*.THydrogen-bonded Turntrans-59.5122.3173.8-19.630.7000110.9
332G63.5Low81.3Confident81 Ų8176.5 Ų76.584%0.83541%0.409SS*.THydrogen-bonded Turntrans88.1-0.9173.200000116.7M330 K334M330-G332 PolarHBondContact O-N 2.78Å; G332-K334 PolarHBondContact O-N 2.73Å
333A53.8Low80Confident37 Ų3780.4 Ų80.431%0.30643%0.43SS..  trans-75.5103.7172.700000110.6L327 M330 L335L327-A333 WeakPolarHBondContact O-CB 3.37Å; M330-A333 HydrophobicContact CB-CB 4.12Å; M330-A333 PolarHBondContact O-N 3.41Å; A333-L335 PolarHBondContact O-N 2.85Å
334K48.3Very low78.5Confident193 Ų19387.1 Ų87.184%0.83947%0.466SS*.  trans-84.7105.3163.7-69.2-173.8-180-177.90107.6G332G332-K334 PolarHBondContact O-N 2.73Å
335L53.3Low76.7Confident126 Ų12684.6 Ų84.666%0.6647%0.469SS*.  trans-66.50170.3-80.5161.7000111.3L327 K328 A333L327-L335 HydrophobicContact CB-CD2 4.23Å; L327-L335 HydrophobicContact CD1-CD2 4Å; K328-L335 HydrophobicContact CB-CD1 4.47Å; K328-L335 HydrophobicContact CD-CD1 4.25Å; K328-L335 HydrophobicContact CG-CD1 3.33Å; A333-L335 PolarHBondContact O-N 2.85Å

Retrieved 335 of 335 residues in 100 ms (Link to these results)

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