A0A060X422_ONCMY Loading...

Golgi-associated plant pathogenesis-related protein 1

AlphaFold DB , UniProt , Accession A0A060X422, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene glipr2l, Length 154 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
1M41.6Very low77.4Confident234 Ų23496.2 Ų96.2100%1.15353%0.528SS*.  0-3.30-69.9168.2-176.500114.7
2G58.2Low79.1Confident57 Ų5792.3 Ų92.359%0.58850%0.504SS*.Hα-helixtrans-78.9-24.1-168.900000119.4S6G2-S6 WeakPolarHBondContact O-CB 3.43Å; G2-S6 PolarHBondContact O-N 2.94Å
3K60.5Low80.6Confident197 Ų19785.2 Ų85.286%0.85747%0.465SS*.Hα-helixtrans-72-35.3-176.7-74.3-176178.6178.80113.7K7K3-K7 WeakPolarHBondContact O-CB 3.34Å; K3-K7 PolarHBondContact O-N 3.2Å; K3-K7 VanDerWaalsContact O-N 3.15Å
4S67.1Low81.9Confident90 Ų9081.4 Ų81.463%0.62944%0.443SS*.Hα-helixtrans-73-41-177.4-1650000112.2K7 Q8S4-K7 PolarHBondContact O-N 3.31Å; S4-Q8 PolarHBondContact O-N 3.24Å
5A71.2Confident83Confident60 Ų6084.8 Ų84.850%0.49645%0.447SS..Hα-helixtrans-67.9-39.5178.100000112.1K7 Q8 F9A5-K7 VanDerWaalsContact C-N 3.35Å; A5-K7 PolarHBondContact O-N 2.85Å; A5-Q8 PolarHBondContact O-N 3.2Å; A5-F9 WeakPolarHBondContact O-CB 3.36Å; A5-F9 PolarHBondContact O-N 3.04Å
6S81.8Confident83.9Confident62 Ų6279.6 Ų79.643%0.43442%0.42SS..Hα-helixtrans-63.4-39.5174.4174.70000112.4G2 S10G2-S6 WeakPolarHBondContact O-CB 3.43Å; G2-S6 PolarHBondContact O-N 2.94Å; S6-S10 WeakPolarHBondContact O-CB 3.3Å; S6-S10 PolarHBondContact O-N 3.28Å; S6-S10 VanDerWaalsContact O-N 3.07Å; S6-S10 PolarHBondContact O-OG 3.18Å
7K88.9Confident84.8Confident128 Ų12874.9 Ų74.956%0.55740%0.395SS*.Hα-helixtrans-64.4-50.4174.8-177179171.8-173.70111.5K3 S4 A5 F9 S10 E11K3-K7 WeakPolarHBondContact O-CB 3.34Å; K3-K7 PolarHBondContact O-N 3.2Å; K3-K7 VanDerWaalsContact O-N 3.15Å; S4-K7 PolarHBondContact O-N 3.31Å; A5-K7 VanDerWaalsContact C-N 3.35Å; A5-K7 PolarHBondContact O-N 2.85Å; K7-F9 PolarHBondContact O-N 3.03Å; K7-S10 PolarHBondContact O-N 3.07Å; K7-E11 WeakPolarHBondContact CE-OE1 3.4Å; K7-E11 IonicContact NZ-OE1 3.04Å; K7-E11 WeakPolarHBondContact O-CG 3.5Å; K7-E11 PolarHBondContact O-N 2.92Å
8Q93.7Very high85.6Confident109 Ų10972.6 Ų72.651%0.50938%0.383SS..Hα-helixtrans-57.8-48178.2-179.7179.7-5.700111.6S4 A5 S10 E11 E12S4-Q8 PolarHBondContact O-N 3.24Å; A5-Q8 PolarHBondContact O-N 3.2Å; Q8-S10 VanDerWaalsContact C-N 3.32Å; Q8-S10 PolarHBondContact O-N 3.09Å; Q8-E11 PolarHBondContact O-N 2.82Å; Q8-E12 HydrophobicContact CG-CG 4.48Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.28Å; Q8-E12 PolarHBondContact NE2-OE1 2.59Å; Q8-E12 WeakPolarHBondContact O-CG 3.43Å; Q8-E12 PolarHBondContact O-N 3.1Å
9F95.6Very high86.3Confident12 Ų1273.1 Ų73.15%0.05338%0.383CS..Hα-helixtrans-55.9-46.7176.6175.4-98.9000111.8A5 K7 E11 E12 V13 Q74 G76 V117 K119 V129A5-F9 WeakPolarHBondContact O-CB 3.36Å; A5-F9 PolarHBondContact O-N 3.04Å; K7-F9 PolarHBondContact O-N 3.03Å; F9-E11 VanDerWaalsContact C-N 3.32Å; F9-E11 PolarHBondContact O-N 3.41Å; F9-E12 PolarHBondContact O-N 2.98Å; F9-V13 HydrophobicContact CD1-CG2 4.39Å; F9-V13 HydrophobicContact CE1-CG2 4.03Å; F9-V13 HydrophobicContact CE2-CG2 4.21Å; F9-V13 HydrophobicContact CZ-CG2 3.92Å; F9-V13 VanDerWaalsContact O-CG2 3.26Å; F9-V13 WeakPolarHBondContact O-CG2 3.33Å; F9-V13 PolarHBondContact O-N 2.85Å; F9-Q74 WeakPolarHBondContact CE2-O 3.42Å; F9-G76 VanDerWaalsContact CE2-CA 3.47Å; F9-V117 HydrophobicContact CD1-CG1 4.39Å; F9-V117 HydrophobicContact CE1-CG1 4.26Å; F9-V117 HydrophobicContact CE1-CG2 3.77Å; F9-V117 HydrophobicContact CZ-CG2 4.42Å; F9-K119 HydrophobicContact CD1-CB 4.2Å; F9-K119 HydrophobicContact CD2-CD 4.3Å; F9-K119 HydrophobicContact CE1-CB 3.72Å; F9-K119 HydrophobicContact CE2-CB 4.43Å; F9-K119 HydrophobicContact CE2-CD 3.87Å; F9-K119 HydrophobicContact CZ-CB 3.87Å; F9-K119 HydrophobicContact CZ-CD 4.08Å; F9-K119 HydrophobicContact CZ-CG 4.47Å; F9-V129 HydrophobicContact CE1-CG1 4.18Å; F9-V129 HydrophobicContact CZ-CB 4.48Å; F9-V129 HydrophobicContact CZ-CG1 3.74Å; F9-V129 HydrophobicContact CZ-CG2 3.85Å
10S96.6Very high86.9Confident11 Ų1171.4 Ų71.48%0.07737%0.372CS..Hα-helixtrans-63-39.2179.5-58.70000112.5S6 K7 Q8 L14S6-S10 WeakPolarHBondContact O-CB 3.3Å; S6-S10 PolarHBondContact O-N 3.28Å; S6-S10 VanDerWaalsContact O-N 3.07Å; S6-S10 PolarHBondContact O-OG 3.18Å; K7-S10 PolarHBondContact O-N 3.07Å; Q8-S10 VanDerWaalsContact C-N 3.32Å; Q8-S10 PolarHBondContact O-N 3.09Å; S10-L14 WeakPolarHBondContact O-CB 3.37Å; S10-L14 PolarHBondContact O-N 2.79Å
11E96.7Very high87.4Confident98 Ų9868 Ų6846%0.45835%0.354SS..Hα-helixtrans-68.9-40.3177.8-72.6172.6170.700112.1K7 Q8 F9 L14 R15 L31K7-E11 WeakPolarHBondContact CE-OE1 3.4Å; K7-E11 IonicContact NZ-OE1 3.04Å; K7-E11 WeakPolarHBondContact O-CG 3.5Å; K7-E11 PolarHBondContact O-N 2.92Å; Q8-E11 PolarHBondContact O-N 2.82Å; F9-E11 VanDerWaalsContact C-N 3.32Å; F9-E11 PolarHBondContact O-N 3.41Å; E11-L14 PolarHBondContact O-N 2.95Å; E11-R15 VanDerWaalsContact O-CB 3.27Å; E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 PolarHBondContact O-N 3.09Å; E11-L31 HydrophobicContact CG-CD1 4.47Å
12E97.6Very high90.1Very high50 Ų5065.2 Ų65.223%0.23433%0.33CS..Hα-helixtrans-62.2-45.6174.5-74.6173-172.400112.1Q8 F9 R15 S16 G76Q8-E12 HydrophobicContact CG-CG 4.48Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.28Å; Q8-E12 PolarHBondContact NE2-OE1 2.59Å; Q8-E12 WeakPolarHBondContact O-CG 3.43Å; Q8-E12 PolarHBondContact O-N 3.1Å; F9-E12 PolarHBondContact O-N 2.98Å; E12-R15 PolarHBondContact O-N 3.2Å; E12-S16 WeakPolarHBondContact O-CB 3.2Å; E12-S16 PolarHBondContact O-N 3.08Å; E12-S16 VanDerWaalsContact O-N 3.08Å; E12-S16 PolarHBondContact O-OG 3.11Å; E12-G76 PolarHBondContact OE2-N 2.97Å
13V98.4Very high92Very high0 Ų067 Ų670%032%0.322CS..Hα-helixtrans-60.2-51175.1175.90000109.4F9 R15 S16 H17 G76 L115 V117F9-V13 HydrophobicContact CD1-CG2 4.39Å; F9-V13 HydrophobicContact CE1-CG2 4.03Å; F9-V13 HydrophobicContact CE2-CG2 4.21Å; F9-V13 HydrophobicContact CZ-CG2 3.92Å; F9-V13 VanDerWaalsContact O-CG2 3.26Å; F9-V13 WeakPolarHBondContact O-CG2 3.33Å; F9-V13 PolarHBondContact O-N 2.85Å; V13-R15 PolarHBondContact O-N 2.72Å; V13-S16 PolarHBondContact O-N 3.49Å; V13-H17 WeakPolarHBondContact CG1-CE1 3.37Å; V13-H17 WeakPolarHBondContact CG1-ND1 3.1Å; V13-H17 PolarHBondContact O-N 3.47Å; V13-H17 PolarHBondContact O-ND1 3.24Å; V13-G76 VanDerWaalsContact CG2-CA 3.5Å; V13-G76 WeakPolarHBondContact CG2-O 3.38Å; V13-L115 HydrophobicContact CG1-CD2 4.12Å; V13-V117 HydrophobicContact CB-CG1 4.19Å; V13-V117 HydrophobicContact CG1-CB 4.34Å; V13-V117 HydrophobicContact CG1-CG1 4.28Å; V13-V117 HydrophobicContact CG1-CG2 4.15Å; V13-V117 HydrophobicContact CG2-CG1 4.37Å; V13-V117 HydrophobicContact CG2-CG2 4.28Å
14L98.6Very high93.8Very high31 Ų3157.6 Ų57.616%0.16228%0.281CS..Hα-helixtrans-58.9-45.6-179.9-179.870.3000112.1S10 E11 S16 H17 N18 L29 L31 L115S10-L14 WeakPolarHBondContact O-CB 3.37Å; S10-L14 PolarHBondContact O-N 2.79Å; E11-L14 PolarHBondContact O-N 2.95Å; L14-S16 PolarHBondContact O-N 2.84Å; L14-H17 PolarHBondContact O-N 3.3Å; L14-N18 WeakPolarHBondContact O-CB 3.48Å; L14-N18 PolarHBondContact O-N 3.39Å; L14-L29 HydrophobicContact CD1-CB 4.05Å; L14-L31 HydrophobicContact CB-CD1 3.99Å; L14-L31 HydrophobicContact CB-CG 4.01Å; L14-L31 HydrophobicContact CD1-CG 4.21Å; L14-L31 HydrophobicContact CD2-CB 4.33Å; L14-L31 HydrophobicContact CD2-CD1 3.8Å; L14-L31 HydrophobicContact CD2-CG 3.78Å; L14-L31 HydrophobicContact CG-CD1 4.41Å; L14-L31 HydrophobicContact CG-CG 4.18Å; L14-L115 HydrophobicContact CB-CD2 4.44Å; L14-L115 HydrophobicContact CD1-CB 4.41Å; L14-L115 HydrophobicContact CD1-CD2 4.03Å
15R98.5Very high95.3Very high133 Ų13356.8 Ų56.850%0.50227%0.268SS..Hα-helixtrans-59.1-48.8-179.6-177.7178.664.182.7-1.3110.7E11 E12 V13 N18 E19E11-R15 VanDerWaalsContact O-CB 3.27Å; E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 PolarHBondContact O-N 3.09Å; E12-R15 PolarHBondContact O-N 3.2Å; V13-R15 PolarHBondContact O-N 2.72Å; R15-N18 PolarHBondContact O-N 3.34Å; R15-E19 PolarHBondContact O-N 3.03Å
16S98.4Very high96.5Very high1 Ų154.3 Ų54.31%0.00725%0.246CC..Hα-helixtrans-65.3-42.2-179.7-48.20000111.2E12 V13 L14 N18 E19 Y20E12-S16 WeakPolarHBondContact O-CB 3.2Å; E12-S16 PolarHBondContact O-N 3.08Å; E12-S16 VanDerWaalsContact O-N 3.08Å; E12-S16 PolarHBondContact O-OG 3.11Å; V13-S16 PolarHBondContact O-N 3.49Å; L14-S16 PolarHBondContact O-N 2.84Å; S16-N18 VanDerWaalsContact C-N 3.34Å; S16-N18 PolarHBondContact O-N 3.36Å; S16-E19 PolarHBondContact O-N 3.23Å; S16-Y20 WeakPolarHBondContact O-CD2 3.43Å; S16-Y20 PolarHBondContact O-N 2.77Å; S16-Y20 VanDerWaalsContact O-N 3.11Å
17H98.7Very high97.3Very high0 Ų054 Ų540%024%0.243CC..Hα-helixtrans-57-47.2172.4-79.164.2000111.8V13 L14 E19 Y20 R21 W83 Y133V13-H17 WeakPolarHBondContact CG1-CE1 3.37Å; V13-H17 WeakPolarHBondContact CG1-ND1 3.1Å; V13-H17 PolarHBondContact O-N 3.47Å; V13-H17 PolarHBondContact O-ND1 3.24Å; L14-H17 PolarHBondContact O-N 3.3Å; H17-E19 VanDerWaalsContact C-N 3.32Å; H17-E19 PolarHBondContact O-N 2.77Å; H17-Y20 PolarHBondContact O-N 2.77Å; H17-R21 WeakPolarHBondContact O-CB 3.26Å; H17-R21 WeakPolarHBondContact O-CG 3.31Å; H17-R21 PolarHBondContact O-N 2.9Å; H17-W83 AromaticContact CE1-CE3 3.94Å; H17-W83 AromaticContact CE1-CZ3 3.9Å; H17-Y133 AromaticContact CD2-CE1 3.87Å; H17-Y133 AromaticContact NE2-CE1 3.85Å; H17-Y133 AromaticContact NE2-CZ 3.89Å; H17-Y133 PolarHBondContact NE2-OH 2.94Å
18N98.7Very high97.8Very high34 Ų3452.1 Ų52.118%0.18224%0.243CC..Hα-helixtrans-71.6-27.2-177-75.4-18000113.1L14 R15 S16 R22 P28 L29L14-N18 WeakPolarHBondContact O-CB 3.48Å; L14-N18 PolarHBondContact O-N 3.39Å; R15-N18 PolarHBondContact O-N 3.34Å; S16-N18 VanDerWaalsContact C-N 3.34Å; S16-N18 PolarHBondContact O-N 3.36Å; N18-R22 WeakPolarHBondContact O-CB 3.18Å; N18-R22 PolarHBondContact O-N 3.43Å; N18-P28 HydrophobicContact CB-CB 4.32Å; N18-P28 WeakPolarHBondContact OD1-CA 3.33Å; N18-L29 PolarHBondContact ND2-O 3.01Å; N18-L29 VanDerWaalsContact ND2-O 3.1Å; N18-L29 PolarHBondContact OD1-N 2.85Å
19E98.4Very high98Very high82 Ų8247.1 Ų47.138%0.38322%0.22SC..Hα-helixtrans-64.2-50.8169.7-178.3172.6175.900111.4R15 S16 H17 R22 K23R15-E19 PolarHBondContact O-N 3.03Å; S16-E19 PolarHBondContact O-N 3.23Å; H17-E19 VanDerWaalsContact C-N 3.32Å; H17-E19 PolarHBondContact O-N 2.77Å; E19-R22 WeakPolarHBondContact O-CB 3.17Å; E19-R22 PolarHBondContact O-N 3.1Å; E19-K23 PolarHBondContact O-N 2.91Å
20Y98.4Very high98.2Very high39 Ų3954.1 Ų54.115%0.15325%0.251CS..Hα-helixtrans-65.3-41.8176.5-66.2-52.3000112.2S16 H17 R22 K23 H24 D81 Y84 M107S16-Y20 WeakPolarHBondContact O-CD2 3.43Å; S16-Y20 PolarHBondContact O-N 2.77Å; S16-Y20 VanDerWaalsContact O-N 3.11Å; H17-Y20 PolarHBondContact O-N 2.77Å; Y20-R22 VanDerWaalsContact C-N 3.26Å; Y20-R22 PolarHBondContact O-N 2.98Å; Y20-K23 WeakPolarHBondContact O-CA 3.35Å; Y20-K23 WeakPolarHBondContact O-CB 3.44Å; Y20-K23 PolarHBondContact O-N 2.88Å; Y20-H24 PolarHBondContact O-CD2 3.25Å; Y20-H24 VanDerWaalsContact O-CD2 3.24Å; Y20-H24 PolarHBondContact O-N 3.48Å; Y20-H24 VanDerWaalsContact O-N 3.09Å; Y20-D81 PolarHBondContact OH-OD1 3.07Å; Y20-Y84 AromaticContact CD1-CD1 3.5Å; Y20-Y84 HydrophobicContact CD1-CD1 3.5Å; Y20-Y84 AromaticContact CD1-CD2 3.57Å; Y20-Y84 HydrophobicContact CD1-CD2 3.57Å; Y20-Y84 AromaticContact CD1-CE1 3.47Å; Y20-Y84 HydrophobicContact CD1-CE1 3.47Å; Y20-Y84 VanDerWaalsContact CD1-CE1 3.47Å; Y20-Y84 AromaticContact CD1-CE2 3.56Å; Y20-Y84 HydrophobicContact CD1-CE2 3.56Å; Y20-Y84 AromaticContact CD1-CG 3.54Å; Y20-Y84 HydrophobicContact CD1-CG 3.54Å; Y20-Y84 AromaticContact CD1-CZ 3.51Å; Y20-Y84 HydrophobicContact CD2-CD1 4.36Å; Y20-Y84 AromaticContact CD2-CD2 3.9Å; Y20-Y84 HydrophobicContact CD2-CD2 3.9Å; Y20-Y84 AromaticContact CD2-CG 3.74Å; Y20-Y84 HydrophobicContact CD2-CG 3.74Å; Y20-Y84 AromaticContact CE1-CD1 3.22Å; Y20-Y84 HydrophobicContact CE1-CD1 3.22Å; Y20-Y84 HydrophobicContact CE1-CD2 4.15Å; Y20-Y84 AromaticContact CE1-CE1 3.41Å; Y20-Y84 HydrophobicContact CE1-CE1 3.41Å; Y20-Y84 VanDerWaalsContact CE1-CE1 3.41Å; Y20-Y84 HydrophobicContact CE1-CE2 4.31Å; Y20-Y84 AromaticContact CE1-CG 3.62Å; Y20-Y84 HydrophobicContact CE1-CG 3.62Å; Y20-Y84 AromaticContact CE1-CZ 3.97Å; Y20-Y84 HydrophobicContact CE2-CD1 4.13Å; Y20-Y84 HydrophobicContact CE2-CD2 4.43Å; Y20-Y84 AromaticContact CE2-CG 3.8Å; Y20-Y84 HydrophobicContact CE2-CG 3.8Å; Y20-Y84 HydrophobicContact CG-CD1 4.07Å; Y20-Y84 AromaticContact CG-CD2 3.43Å; Y20-Y84 HydrophobicContact CG-CD2 3.43Å; Y20-Y84 VanDerWaalsContact CG-CD2 3.43Å; Y20-Y84 HydrophobicContact CG-CE1 4.34Å; Y20-Y84 AromaticContact CG-CE2 3.75Å; Y20-Y84 HydrophobicContact CG-CE2 3.75Å; Y20-Y84 AromaticContact CG-CG 3.6Å; Y20-Y84 HydrophobicContact CG-CG 3.6Å; Y20-Y84 AromaticContact CZ-CD1 3.55Å; Y20-Y84 AromaticContact CZ-CG 3.73Å; Y20-M107 HydrophobicContact CD2-CE 3.87Å; Y20-M107 HydrophobicContact CE2-CE 4.5Å
21R98.6Very high98.2Very high1 Ų156.6 Ų56.60%0.00426%0.263CS..Hα-helixtrans-58.8-38.4176.3-75.7178.573.182.91.7112.7H17 H24 Q25 T26 P27 M107 W109 S112H17-R21 WeakPolarHBondContact O-CB 3.26Å; H17-R21 WeakPolarHBondContact O-CG 3.31Å; H17-R21 PolarHBondContact O-N 2.9Å; R21-H24 CarbonylContact O-C 3.58Å; R21-H24 PolarHBondContact O-N 3.02Å; R21-Q25 PolarHBondContact O-N 3.38Å; R21-T26 VanDerWaalsContact CA-OG1 3.29Å; R21-T26 WeakPolarHBondContact CA-OG1 3.44Å; R21-T26 WeakPolarHBondContact CB-OG1 3.27Å; R21-T26 WeakPolarHBondContact CG-OG1 3.34Å; R21-T26 PolarHBondContact O-N 3.19Å; R21-T26 PolarHBondContact O-OG1 3.38Å; R21-P27 PolarHBondContact NE-O 3.37Å; R21-P27 PolarHBondContact NH2-O 3.23Å; R21-M107 WeakPolarHBondContact CD-O 3.47Å; R21-M107 WeakPolarHBondContact CG-O 3.29Å; R21-M107 PolarHBondContact NH1-O 3.48Å; R21-W109 PolarHBondContact NH1-O 3.4Å; R21-W109 PolarHBondContact NH2-O 3.09Å; R21-W109 VanDerWaalsContact NH2-O 3.1Å; R21-S112 PolarHBondContact NH2-O 2.89Å; R21-S112 VanDerWaalsContact NH2-O 3.16Å
22R98.3Very high98.2Very high174 Ų17453 Ų5366%0.65725%0.248SC*.Hα-helixtrans-60.9-45.3173.3-176-178.468.2-117.80.1111.4N18 E19 Y20 H24 Q25N18-R22 WeakPolarHBondContact O-CB 3.18Å; N18-R22 PolarHBondContact O-N 3.43Å; E19-R22 WeakPolarHBondContact O-CB 3.17Å; E19-R22 PolarHBondContact O-N 3.1Å; Y20-R22 VanDerWaalsContact C-N 3.26Å; Y20-R22 PolarHBondContact O-N 2.98Å; R22-H24 PolarHBondContact O-N 3.13Å; R22-Q25 PolarHBondContact O-N 3.2Å
23K97.8Very high98.1Very high94 Ų9455.4 Ų55.441%0.40927%0.271SS..Hα-helixtrans-57.9-32.2175.9-172.1177177.1-172.80112.4E19 Y20 P152 K153E19-K23 PolarHBondContact O-N 2.91Å; Y20-K23 WeakPolarHBondContact O-CA 3.35Å; Y20-K23 WeakPolarHBondContact O-CB 3.44Å; Y20-K23 PolarHBondContact O-N 2.88Å; K23-P152 HydrophobicContact CD-CB 4.18Å; K23-P152 HydrophobicContact CG-CB 3.85Å; K23-P152 CarbonylContact O-C 3.59Å; K23-P152 WeakPolarHBondContact O-CA 3.49Å; K23-K153 PolarHBondContact O-N 3.12Å
24H98.3Very high98Very high0 Ų062.6 Ų62.60%030%0.302CS..THydrogen-bonded Turntrans-97.619.7177.8-69-96.4000113.6Y20 R21 R22 T26 Y84 F92 F104 V108 L150Y20-H24 PolarHBondContact O-CD2 3.25Å; Y20-H24 VanDerWaalsContact O-CD2 3.24Å; Y20-H24 PolarHBondContact O-N 3.48Å; Y20-H24 VanDerWaalsContact O-N 3.09Å; R21-H24 CarbonylContact O-C 3.58Å; R21-H24 PolarHBondContact O-N 3.02Å; R22-H24 PolarHBondContact O-N 3.13Å; H24-T26 HydrophobicContact CB-CG2 4.49Å; H24-T26 VanDerWaalsContact O-CG2 3.22Å; H24-T26 WeakPolarHBondContact O-CG2 3.22Å; H24-T26 PolarHBondContact O-N 2.86Å; H24-Y84 AromaticContact CD2-CE2 3.82Å; H24-Y84 AromaticContact NE2-CE2 3.31Å; H24-Y84 VanDerWaalsContact NE2-CE2 3.31Å; H24-Y84 WeakPolarHBondContact NE2-CE2 3.34Å; H24-Y84 AromaticContact NE2-CZ 3.52Å; H24-Y84 PolarHBondContact NE2-OH 2.84Å; H24-F92 AromaticContact CE1-CZ 3.97Å; H24-F104 AromaticContact CE1-CE2 3.64Å; H24-F104 AromaticContact CE1-CZ 3.73Å; H24-F104 AromaticContact NE2-CE2 3.83Å; H24-V108 HydrophobicContact CB-CB 4.17Å; H24-V108 HydrophobicContact CB-CG1 4.2Å; H24-L150 PolarHBondContact ND1-O 3.1Å; H24-L150 WeakPolarHBondContact O-CB 3.49Å
25Q97.7Very high97.8Very high74 Ų7461.9 Ų61.935%0.34630%0.298SS..THydrogen-bonded Turntrans49.633.5-179.6-47.3110.3-93.800115.1R21 R22 L150 P151 K153R21-Q25 PolarHBondContact O-N 3.38Å; R22-Q25 PolarHBondContact O-N 3.2Å; Q25-L150 HydrophobicContact CB-CD1 4.2Å; Q25-P151 PolarHBondContact OE1-O 3.17Å; Q25-K153 VanDerWaalsContact CD-CD 3.46Å; Q25-K153 HydrophobicContact CG-CD 3.72Å; Q25-K153 HydrophobicContact CG-CG 4.18Å
26T97.8Very high97.7Very high8 Ų856.3 Ų56.35%0.04928%0.28CS..  trans-106142.8178.963.30000110.9R21 H24 V108 K110 L150R21-T26 VanDerWaalsContact CA-OG1 3.29Å; R21-T26 WeakPolarHBondContact CA-OG1 3.44Å; R21-T26 WeakPolarHBondContact CB-OG1 3.27Å; R21-T26 WeakPolarHBondContact CG-OG1 3.34Å; R21-T26 PolarHBondContact O-N 3.19Å; R21-T26 PolarHBondContact O-OG1 3.38Å; H24-T26 HydrophobicContact CB-CG2 4.49Å; H24-T26 VanDerWaalsContact O-CG2 3.22Å; H24-T26 WeakPolarHBondContact O-CG2 3.22Å; H24-T26 PolarHBondContact O-N 2.86Å; T26-V108 WeakPolarHBondContact CG2-O 3.16Å; T26-K110 HydrophobicContact CG2-CB 3.85Å; T26-K110 HydrophobicContact CG2-CG 4.24Å; T26-L150 HydrophobicContact CG2-CD1 4.46Å
27P98.4Very high97.6Very high55 Ų5559.3 Ų59.336%0.35730%0.301SS..PPolyproline II helixtrans-60.2146.7-178.6-24.334000112R21R21-P27 PolarHBondContact NE-O 3.37Å; R21-P27 PolarHBondContact NH2-O 3.23Å
28P98.6Very high97.4Very high88 Ų8861.4 Ų61.457%0.57131%0.312SS*.PPolyproline II helixtrans-63.4147.118027.5-35.2000112N18N18-P28 HydrophobicContact CB-CB 4.32Å; N18-P28 WeakPolarHBondContact OD1-CA 3.33Å
29L98.7Very high97.3Very high4 Ų459.8 Ų59.82%0.02130%0.304CS..PPolyproline II helixtrans-76.5156.4168.6-61.5172.1000110.2L14 N18 S112 K113 L115 Y133L14-L29 HydrophobicContact CD1-CB 4.05Å; N18-L29 PolarHBondContact ND2-O 3.01Å; N18-L29 VanDerWaalsContact ND2-O 3.1Å; N18-L29 PolarHBondContact OD1-N 2.85Å; L29-S112 VanDerWaalsContact CD2-C 3.47Å; L29-S112 VanDerWaalsContact CD2-O 3.27Å; L29-S112 WeakPolarHBondContact CD2-O 3.44Å; L29-K113 WeakPolarHBondContact CA-O 3.4Å; L29-L115 HydrophobicContact CB-CB 4.15Å; L29-L115 HydrophobicContact CD1-CB 4.05Å; L29-Y133 HydrophobicContact CD1-CD1 4.12Å; L29-Y133 HydrophobicContact CD1-CE1 4.22Å
30K98.4Very high97.2Very high159 Ų15957.4 Ų57.469%0.69130%0.295SS*.EExtended strand (participates in β ladder)trans-114.7136.3168.3-63.1-175.8-180-176.80110K113 K114 L115K30-K113 PolarHBondContact N-O 3.36Å; K30-K114 CarbonylContact O-C 3.51Å; K30-K114 VanDerWaalsContact O-CA 3.24Å; K30-K114 WeakPolarHBondContact O-CA 3.32Å; K30-L115 PolarHBondContact O-N 3.31Å
31L97.8Very high97Very high63 Ų6362.2 Ų62.233%0.3331%0.313SS..EExtended strand (participates in β ladder)trans-61.5139.2172-87.9166.2000110.6E11 L14 L115E11-L31 HydrophobicContact CG-CD1 4.47Å; L14-L31 HydrophobicContact CB-CD1 3.99Å; L14-L31 HydrophobicContact CB-CG 4.01Å; L14-L31 HydrophobicContact CD1-CG 4.21Å; L14-L31 HydrophobicContact CD2-CB 4.33Å; L14-L31 HydrophobicContact CD2-CD1 3.8Å; L14-L31 HydrophobicContact CD2-CG 3.78Å; L14-L31 HydrophobicContact CG-CD1 4.41Å; L14-L31 HydrophobicContact CG-CG 4.18Å; L31-L115 CarbonylContact C-O 3.37Å; L31-L115 VanDerWaalsContact CA-O 3.29Å; L31-L115 WeakPolarHBondContact CA-O 3.42Å
32S97.4Very high96.9Very high22 Ų2263.9 Ų63.915%0.15432%0.319CS..  trans-121.4116.1174.3177.90000109.3K34 L35 S36 L115S32-K34 VanDerWaalsContact C-N 3.25Å; S32-K34 PolarHBondContact O-N 3.32Å; S32-L35 PolarHBondContact O-N 2.86Å; S32-L35 VanDerWaalsContact O-N 3.12Å; S32-S36 PolarHBondContact O-N 3.15Å; S32-S36 PolarHBondContact O-OG 3Å; S32-L115 PolarHBondContact N-O 2.84Å
33S94.8Very high96.8Very high102 Ų10255.6 Ų55.671%0.71329%0.288SS*.Hα-helixtrans-55-41.3177.1530000112.3S36 S37S33-S36 PolarHBondContact O-N 3.07Å; S33-S37 WeakPolarHBondContact O-CB 3.16Å; S33-S37 PolarHBondContact O-N 2.91Å; S33-S37 PolarHBondContact O-OG 3.03Å; S33-S37 VanDerWaalsContact O-OG 3.08Å
34K94.9Very high96.8Very high151 Ų15156.3 Ų56.366%0.65729%0.293SS*.Hα-helixtrans-58.3-51.9175.1-178.4169.7-179.4164.10111.9S32 S36 S37 D38S32-K34 VanDerWaalsContact C-N 3.25Å; S32-K34 PolarHBondContact O-N 3.32Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 2.82Å; K34-S37 PolarHBondContact O-N 3.03Å; K34-D38 VanDerWaalsContact O-CG 3.23Å; K34-D38 PolarHBondContact O-N 3.38Å
35L96.1Very high96.7Very high15 Ų1559.1 Ų59.18%0.07931%0.312CS..Hα-helixtrans-64.9-37.8179.5-62.5-179.9000112S32 D38 A39 K114 G116 R132 F134S32-L35 PolarHBondContact O-N 2.86Å; S32-L35 VanDerWaalsContact O-N 3.12Å; L35-D38 PolarHBondContact O-N 3.49Å; L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.37Å; L35-A39 PolarHBondContact O-N 3.29Å; L35-K114 HydrophobicContact CD1-CB 3.84Å; L35-G116 VanDerWaalsContact CB-CA 3.49Å; L35-R132 HydrophobicContact CB-CB 4.33Å; L35-F134 HydrophobicContact CD1-CB 3.85Å
36S96.6Very high96.6Very high17 Ų1755.6 Ų55.612%0.11930%0.296CS..Hα-helixtrans-66.2-40.9176.5-71.80000112.2S32 S33 K34 D38 A39 T40 G116 V117S32-S36 PolarHBondContact O-N 3.15Å; S32-S36 PolarHBondContact O-OG 3Å; S33-S36 PolarHBondContact O-N 3.07Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 2.82Å; S36-D38 VanDerWaalsContact C-N 3.31Å; S36-D38 PolarHBondContact O-N 3.1Å; S36-A39 PolarHBondContact O-N 3.23Å; S36-T40 WeakPolarHBondContact O-CB 3.41Å; S36-T40 PolarHBondContact O-N 3.41Å; S36-T40 PolarHBondContact O-OG1 3.2Å; S36-G116 WeakPolarHBondContact OG-CA 3.26Å; S36-V117 WeakPolarHBondContact CB-O 3.33Å; S36-V117 PolarHBondContact OG-N 3.48Å; S36-V117 VanDerWaalsContact OG-N 3.13Å; S36-V117 PolarHBondContact OG-O 2.86Å
37S94.7Very high96.5Very high64 Ų6455.6 Ų55.645%0.44830%0.296SS..Hα-helixtrans-61.9-41.5173.9-66.50000111.3S33 K34 T40 R41S33-S37 WeakPolarHBondContact O-CB 3.16Å; S33-S37 PolarHBondContact O-N 2.91Å; S33-S37 PolarHBondContact O-OG 3.03Å; S33-S37 VanDerWaalsContact O-OG 3.08Å; K34-S37 PolarHBondContact O-N 3.03Å; S37-T40 PolarHBondContact O-N 3.05Å; S37-R41 VanDerWaalsContact C-NH1 3.26Å; S37-R41 WeakPolarHBondContact O-CG 3.26Å; S37-R41 PolarHBondContact O-N 2.98Å; S37-R41 VanDerWaalsContact O-N 3.12Å; S37-R41 PolarHBondContact O-NH1 2.94Å; S37-R41 VanDerWaalsContact O-NH1 3.1Å
38D94.8Very high96.3Very high44 Ų4457.6 Ų57.624%0.23531%0.312CS..Hα-helixtrans-67-44.1177.9-65.3-6.3000111.5K34 L35 S36 T40 R41 Y42K34-D38 VanDerWaalsContact O-CG 3.23Å; K34-D38 PolarHBondContact O-N 3.38Å; L35-D38 PolarHBondContact O-N 3.49Å; S36-D38 VanDerWaalsContact C-N 3.31Å; S36-D38 PolarHBondContact O-N 3.1Å; D38-T40 VanDerWaalsContact C-N 3.33Å; D38-T40 PolarHBondContact O-N 2.84Å; D38-R41 PolarHBondContact O-N 3.03Å; D38-R41 IonicContact OD1-CZ 3.2Å; D38-R41 IonicContact OD1-NH1 2.91Å; D38-R41 PolarHBondContact OD1-NH1 3.41Å; D38-R41 IonicContact OD1-NH2 2.64Å; D38-R41 PolarHBondContact OD1-NH2 2.75Å; D38-Y42 PolarHBondContact O-N 3.11Å; D38-Y42 VanDerWaalsContact O-N 3.11Å
39A96.3Very high96.1Very high0 Ų056.7 Ų56.70%031%0.305CS..Hα-helixtrans-62.2-39.4175.500000112.2L35 S36 Y42 A43 V130 R132L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.37Å; L35-A39 PolarHBondContact O-N 3.29Å; S36-A39 PolarHBondContact O-N 3.23Å; A39-Y42 PolarHBondContact O-N 3.47Å; A39-A43 WeakPolarHBondContact O-CB 3.41Å; A39-A43 PolarHBondContact O-N 3.45Å; A39-V130 HydrophobicContact CB-CB 4.11Å; A39-V130 HydrophobicContact CB-CG1 4Å; A39-V130 WeakPolarHBondContact CB-O 3.45Å; A39-R132 HydrophobicContact CB-CG 4.1Å
40T96.1Very high95.8Very high32 Ų3261.2 Ų61.220%0.19632%0.321CS..Hα-helixtrans-64-48.2177.7-58.60000111.2S36 S37 D38 Y42 A43 E44 G118S36-T40 WeakPolarHBondContact O-CB 3.41Å; S36-T40 PolarHBondContact O-N 3.41Å; S36-T40 PolarHBondContact O-OG1 3.2Å; S37-T40 PolarHBondContact O-N 3.05Å; D38-T40 VanDerWaalsContact C-N 3.33Å; D38-T40 PolarHBondContact O-N 2.84Å; T40-Y42 PolarHBondContact O-N 2.8Å; T40-A43 WeakPolarHBondContact O-CB 3.05Å; T40-A43 PolarHBondContact O-N 3.29Å; T40-A43 VanDerWaalsContact O-N 3.13Å; T40-E44 WeakPolarHBondContact O-CG 3.47Å; T40-E44 PolarHBondContact O-N 3.28Å; T40-G118 WeakPolarHBondContact OG1-CA 3.27Å
41R95.4Very high95.4Very high140 Ų14057.9 Ų57.953%0.52831%0.31SS..Hα-helixtrans-59.1-37.2176.5-68.8-167.9-48.9-80.28.6112.1S37 D38 S45S37-R41 VanDerWaalsContact C-NH1 3.26Å; S37-R41 WeakPolarHBondContact O-CG 3.26Å; S37-R41 PolarHBondContact O-N 2.98Å; S37-R41 VanDerWaalsContact O-N 3.12Å; S37-R41 PolarHBondContact O-NH1 2.94Å; S37-R41 VanDerWaalsContact O-NH1 3.1Å; D38-R41 PolarHBondContact O-N 3.03Å; D38-R41 IonicContact OD1-CZ 3.2Å; D38-R41 IonicContact OD1-NH1 2.91Å; D38-R41 PolarHBondContact OD1-NH1 3.41Å; D38-R41 IonicContact OD1-NH2 2.64Å; D38-R41 PolarHBondContact OD1-NH2 2.75Å; R41-S45 PolarHBondContact O-N 3.35Å
42Y96.3Very high95.2Very high35 Ų3559.1 Ų59.114%0.13732%0.317CS..Hα-helixtrans-71.7-41.2176.7-163.2-121.1000112.2D38 A39 T40 E44 S45 L46 K53 H54 S55 L67 V130D38-Y42 PolarHBondContact O-N 3.11Å; D38-Y42 VanDerWaalsContact O-N 3.11Å; A39-Y42 PolarHBondContact O-N 3.47Å; T40-Y42 PolarHBondContact O-N 2.8Å; Y42-E44 VanDerWaalsContact C-N 3.29Å; Y42-E44 PolarHBondContact O-N 2.91Å; Y42-S45 WeakPolarHBondContact O-CB 3.47Å; Y42-S45 PolarHBondContact O-N 2.84Å; Y42-S45 VanDerWaalsContact O-N 3.09Å; Y42-L46 HydrophobicContact CD1-CD1 4.08Å; Y42-L46 HydrophobicContact CD1-CG 4.32Å; Y42-L46 HydrophobicContact CE1-CD1 3.97Å; Y42-L46 HydrophobicContact CE1-CD2 3.97Å; Y42-L46 HydrophobicContact CE1-CG 4.09Å; Y42-L46 WeakPolarHBondContact O-CG 3.32Å; Y42-L46 PolarHBondContact O-N 3.18Å; Y42-K53 PolarHBondContact OH-O 2.99Å; Y42-H54 PolarHBondContact OH-O 3.15Å; Y42-S55 VanDerWaalsContact CZ-CA 3.47Å; Y42-S55 VanDerWaalsContact CZ-CB 3.47Å; Y42-S55 VanDerWaalsContact OH-CA 3.24Å; Y42-S55 WeakPolarHBondContact OH-CA 3.46Å; Y42-S55 PolarHBondContact OH-N 3.23Å; Y42-S55 VanDerWaalsContact OH-N 3.13Å; Y42-L67 HydrophobicContact CD1-CD2 4.49Å; Y42-L67 HydrophobicContact CE1-CD2 4.34Å; Y42-V130 HydrophobicContact CD1-CG1 4.1Å; Y42-V130 HydrophobicContact CD1-CG2 3.81Å; Y42-V130 HydrophobicContact CG-CG2 4.49Å
43A96.8Very high94.9Very high0 Ų063.9 Ų63.90%034%0.335CS..Hα-helixtrans-57.8-41.6174.300000111.8A39 T40 S45 L46 A47 A120 V130A39-A43 WeakPolarHBondContact O-CB 3.41Å; A39-A43 PolarHBondContact O-N 3.45Å; T40-A43 WeakPolarHBondContact O-CB 3.05Å; T40-A43 PolarHBondContact O-N 3.29Å; T40-A43 VanDerWaalsContact O-N 3.13Å; A43-S45 VanDerWaalsContact C-N 3.34Å; A43-S45 PolarHBondContact O-N 2.78Å; A43-L46 PolarHBondContact O-N 3.41Å; A43-A47 WeakPolarHBondContact O-CB 3.43Å; A43-A47 PolarHBondContact O-N 3.36Å; A43-A120 VanDerWaalsContact C-CB 3.47Å; A43-A120 HydrophobicContact CB-CB 3.93Å; A43-V130 HydrophobicContact CB-CB 4.5Å; A43-V130 HydrophobicContact CB-CG2 3.84Å
44E96.5Very high94.6Very high110 Ų11064 Ų6451%0.51432%0.324SS..Hα-helixtrans-61.5-40.6174.7-69.8167.6169.800112T40 Y42 A47 S48 A120T40-E44 WeakPolarHBondContact O-CG 3.47Å; T40-E44 PolarHBondContact O-N 3.28Å; Y42-E44 VanDerWaalsContact C-N 3.29Å; Y42-E44 PolarHBondContact O-N 2.91Å; E44-A47 PolarHBondContact O-N 2.96Å; E44-S48 WeakPolarHBondContact O-CB 3.28Å; E44-S48 PolarHBondContact O-N 3.16Å; E44-A120 HydrophobicContact CB-CB 4.39Å; E44-A120 HydrophobicContact CG-CB 3.92Å
45S96Very high94.1Very high58 Ų5857 Ų5741%0.40629%0.294SS..Hα-helixtrans-63.4-41.7174.2-173.30000112.2R41 Y42 A43 S48 T49R41-S45 PolarHBondContact O-N 3.35Å; Y42-S45 WeakPolarHBondContact O-CB 3.47Å; Y42-S45 PolarHBondContact O-N 2.84Å; Y42-S45 VanDerWaalsContact O-N 3.09Å; A43-S45 VanDerWaalsContact C-N 3.34Å; A43-S45 PolarHBondContact O-N 2.78Å; S45-S48 PolarHBondContact O-N 3.1Å; S45-T49 WeakPolarHBondContact O-CB 3.35Å; S45-T49 WeakPolarHBondContact O-CG2 3.38Å; S45-T49 PolarHBondContact O-N 3.38Å; S45-T49 PolarHBondContact O-OG1 3.5Å
46L95.9Very high93.5Very high1 Ų160.9 Ų60.91%0.00532%0.318CS..Hα-helixtrans-65-42.1174.8-61.2174000111.3Y42 A43 S48 T49 R50 I51 L67 F128 V130Y42-L46 HydrophobicContact CD1-CD1 4.08Å; Y42-L46 HydrophobicContact CD1-CG 4.32Å; Y42-L46 HydrophobicContact CE1-CD1 3.97Å; Y42-L46 HydrophobicContact CE1-CD2 3.97Å; Y42-L46 HydrophobicContact CE1-CG 4.09Å; Y42-L46 WeakPolarHBondContact O-CG 3.32Å; Y42-L46 PolarHBondContact O-N 3.18Å; A43-L46 PolarHBondContact O-N 3.41Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 2.82Å; L46-T49 PolarHBondContact O-N 2.99Å; L46-R50 VanDerWaalsContact O-CA 3.28Å; L46-R50 WeakPolarHBondContact O-CA 3.44Å; L46-R50 PolarHBondContact O-N 3.11Å; L46-I51 WeakPolarHBondContact CD2-O 3.43Å; L46-L67 HydrophobicContact CD1-CD2 3.98Å; L46-F128 HydrophobicContact CB-CB 4.04Å; L46-F128 HydrophobicContact CB-CD1 3.58Å; L46-F128 HydrophobicContact CB-CE1 4.23Å; L46-F128 HydrophobicContact CB-CG 3.92Å; L46-V130 HydrophobicContact CD1-CG2 3.69Å
47A95.7Very high92.5Very high7 Ų767.2 Ų67.26%0.05835%0.346CS..Hα-helixtrans-66.9-30.6177.100000113.2A43 E44 R50 A120 A122 F128A43-A47 WeakPolarHBondContact O-CB 3.43Å; A43-A47 PolarHBondContact O-N 3.36Å; E44-A47 PolarHBondContact O-N 2.96Å; A47-R50 WeakPolarHBondContact O-CD 3.42Å; A47-R50 PolarHBondContact O-NE 3.22Å; A47-A120 HydrophobicContact CB-CB 3.89Å; A47-A122 HydrophobicContact CB-CB 4.02Å; A47-A122 WeakPolarHBondContact O-CB 3.3Å; A47-F128 HydrophobicContact CB-CD2 3.81Å; A47-F128 HydrophobicContact CB-CE2 4.36Å; A47-F128 HydrophobicContact CB-CG 4.48Å
48S95.4Very high91.2Very high98 Ų9869.5 Ų69.569%0.68536%0.362SS*.Hα-helixtrans-74.7-45.7174.5-179.20000112E44 S45 L46E44-S48 WeakPolarHBondContact O-CB 3.28Å; E44-S48 PolarHBondContact O-N 3.16Å; S45-S48 PolarHBondContact O-N 3.1Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 2.82Å
49T94.3Very high89.9Confident69 Ų6970.5 Ų70.542%0.42337%0.372SS..Hα-helixtrans-84.2-19.3-176.5580000114.2S45 L46 I51S45-T49 WeakPolarHBondContact O-CB 3.35Å; S45-T49 WeakPolarHBondContact O-CG2 3.38Å; S45-T49 PolarHBondContact O-N 3.38Å; S45-T49 PolarHBondContact O-OG1 3.5Å; L46-T49 PolarHBondContact O-N 2.99Å; T49-I51 WeakPolarHBondContact O-CG1 3.5Å; T49-I51 PolarHBondContact O-N 2.89Å
50R92.1Very high88.5Confident98 Ų9872.9 Ų72.937%0.3738%0.383SS..  trans59.919.7-173.5-50.2-54.5-168.588-8.5114.9L46 A47 P123 D124L46-R50 VanDerWaalsContact O-CA 3.28Å; L46-R50 WeakPolarHBondContact O-CA 3.44Å; L46-R50 PolarHBondContact O-N 3.11Å; A47-R50 WeakPolarHBondContact O-CD 3.42Å; A47-R50 PolarHBondContact O-NE 3.22Å; R50-P123 VanDerWaalsContact NH2-CD 3.29Å; R50-D124 IonicContact CZ-OD1 2.84Å; R50-D124 IonicContact CZ-OD2 3.43Å; R50-D124 IonicContact NH1-OD1 3.25Å; R50-D124 PolarHBondContact NH1-OD1 2.89Å; R50-D124 IonicContact NH1-OD2 3.22Å; R50-D124 PolarHBondContact NH1-OD2 2.84Å; R50-D124 VanDerWaalsContact NH2-N 3.19Å; R50-D124 IonicContact NH2-OD1 3.57Å; R50-D124 PolarHBondContact NH2-OD1 2.92Å; R50-D124 IonicContact NH2-OD2 3.27Å
51I90.5Very high87.5Confident90 Ų9073.8 Ų73.846%0.46240%0.398SS..  trans-109.7110-178.2-63.8166.1000108.4L46 T49 K53L46-I51 WeakPolarHBondContact CD2-O 3.43Å; T49-I51 WeakPolarHBondContact O-CG1 3.5Å; T49-I51 PolarHBondContact O-N 2.89Å; I51-K53 HydrophobicContact CG2-CB 4.12Å; I51-K53 HydrophobicContact CG2-CD 3.85Å; I51-K53 HydrophobicContact CG2-CG 3.93Å; I51-K53 PolarHBondContact O-N 3.08Å; I51-K53 VanDerWaalsContact O-N 3.09Å
52L91.9Very high87.1Confident88 Ų8871.3 Ų71.346%0.46140%0.403SS..  trans-77.194.4173-167.970.6000109.6L67 W69 F128L52-L67 HydrophobicContact CD1-CB 3.97Å; L52-L67 HydrophobicContact CD1-CD1 4.34Å; L52-W69 HydrophobicContact CD1-CB 4.06Å; L52-W69 HydrophobicContact CD2-CB 3.85Å; L52-W69 HydrophobicContact CG-CB 4.47Å; L52-F128 HydrophobicContact CD1-CD1 4.02Å; L52-F128 HydrophobicContact CD1-CE1 4.41Å
53K92.9Very high86.8Confident122 Ų12270.5 Ų70.553%0.5340%0.402SS..  trans-137.9152175.866.5179.6177.8-176.90110.8Y42 I51 L67Y42-K53 PolarHBondContact OH-O 2.99Å; I51-K53 HydrophobicContact CG2-CB 4.12Å; I51-K53 HydrophobicContact CG2-CD 3.85Å; I51-K53 HydrophobicContact CG2-CG 3.93Å; I51-K53 PolarHBondContact O-N 3.08Å; I51-K53 VanDerWaalsContact O-N 3.09Å; K53-L67 WeakPolarHBondContact O-CD1 3.22Å
54H88.4Confident86.7Confident104 Ų10471.1 Ų71.148%0.48141%0.408SS..PPolyproline II helixtrans-63.6147.2173-79.8-65.3000112.3Y42 E65Y42-H54 PolarHBondContact OH-O 3.15Å; H54-E65 VanDerWaalsContact CA-OE1 3.27Å; H54-E65 WeakPolarHBondContact CA-OE1 3.45Å; H54-E65 IonicContact CE1-OE1 3.91Å; H54-E65 IonicContact CG-OE1 2.84Å; H54-E65 IonicContact ND1-OE1 2.89Å; H54-E65 PolarHBondContact ND1-OE1 3.46Å
55S83.6Confident86.7Confident4 Ų466.6 Ų66.63%0.02839%0.387CS..PPolyproline II helixtrans-66.5144.7172.160.80000110.7Y42 S59 E65 R132Y42-S55 VanDerWaalsContact CZ-CA 3.47Å; Y42-S55 VanDerWaalsContact CZ-CB 3.47Å; Y42-S55 VanDerWaalsContact OH-CA 3.24Å; Y42-S55 WeakPolarHBondContact OH-CA 3.46Å; Y42-S55 PolarHBondContact OH-N 3.23Å; Y42-S55 VanDerWaalsContact OH-N 3.13Å; S55-S59 WeakPolarHBondContact CB-OG 3.31Å; S55-E65 WeakPolarHBondContact CB-OE2 3.27Å; S55-E65 PolarHBondContact N-OE1 2.87Å; S55-E65 VanDerWaalsContact OG-CD 3.29Å; S55-E65 PolarHBondContact OG-OE1 3.32Å; S55-E65 PolarHBondContact OG-OE2 3.04Å; S55-R132 PolarHBondContact OG-NH2 3.25Å
56V83.8Confident86.8Confident98 Ų9863.9 Ų63.959%0.59437%0.368SS*.PPolyproline II helixtrans-63.3143.8176-65.80000110S58 S59 K60V56-S58 VanDerWaalsContact C-N 3.25Å; V56-S58 WeakPolarHBondContact CG2-OG 3.4Å; V56-S58 PolarHBondContact O-N 2.75Å; V56-S59 WeakPolarHBondContact CG2-OG 3.31Å; V56-S59 PolarHBondContact N-OG 3.27Å; V56-S59 WeakPolarHBondContact O-CA 3.44Å; V56-S59 WeakPolarHBondContact O-CB 3.39Å; V56-S59 PolarHBondContact O-N 3.34Å; V56-S59 PolarHBondContact O-OG 3.23Å; V56-K60 PolarHBondContact O-N 2.99Å
57E76Confident86.8Confident149 Ų14964.4 Ų64.470%0.69637%0.371SS*.Hα-helixtrans-52.1-41.9-174.9-69.7-168.215600113.7S59 K60 G61E57-S59 PolarHBondContact O-N 2.7Å; E57-S59 VanDerWaalsContact O-N 3.12Å; E57-K60 WeakPolarHBondContact O-CG 3.46Å; E57-K60 PolarHBondContact O-N 3.38Å; E57-K60 VanDerWaalsContact O-N 3.17Å; E57-G61 PolarHBondContact O-N 3.39Å
58S66.9Low86.9Confident112 Ų11264.4 Ų64.478%0.78337%0.371SS*.Hα-helixtrans-57.3-27.7176.556.30000113.8V56V56-S58 VanDerWaalsContact C-N 3.25Å; V56-S58 WeakPolarHBondContact CG2-OG 3.4Å; V56-S58 PolarHBondContact O-N 2.75Å
59S68.1Low87Confident66 Ų6665.3 Ų65.346%0.46236%0.359SS..Hα-helixtrans-93.6-19.3-178.672.30000114.3S55 V56 E57S55-S59 WeakPolarHBondContact CB-OG 3.31Å; V56-S59 WeakPolarHBondContact CG2-OG 3.31Å; V56-S59 PolarHBondContact N-OG 3.27Å; V56-S59 WeakPolarHBondContact O-CA 3.44Å; V56-S59 WeakPolarHBondContact O-CB 3.39Å; V56-S59 PolarHBondContact O-N 3.34Å; V56-S59 PolarHBondContact O-OG 3.23Å; E57-S59 PolarHBondContact O-N 2.7Å; E57-S59 VanDerWaalsContact O-N 3.12Å
60K65.6Low87.1Confident49 Ų4962.3 Ų62.321%0.21334%0.341CS..Hα-helixtrans-96.7-15.8174.858.7179.9179.5179.40113.7V56 E57 C63V56-K60 PolarHBondContact O-N 2.99Å; E57-K60 WeakPolarHBondContact O-CG 3.46Å; E57-K60 PolarHBondContact O-N 3.38Å; E57-K60 VanDerWaalsContact O-N 3.17Å; K60-C63 VanDerWaalsContact O-CB 3.26Å; K60-C63 WeakPolarHBondContact O-CB 3.36Å; K60-C63 PolarHBondContact O-N 3Å; K60-C63 PolarHBondContact O-SG 3.16Å; K60-C63 VanDerWaalsContact O-SG 3.39Å
61G76.4Confident87.3Confident51 Ų5161.6 Ų61.653%0.52635%0.351SS..THydrogen-bonded Turntrans56.1-137.8-174.900000110.4E57 C63E57-G61 PolarHBondContact O-N 3.39Å; G61-C63 PolarHBondContact O-N 3.13Å; G61-C63 VanDerWaalsContact O-N 3.15Å
62S85Confident87.5Confident89 Ų8962.2 Ų62.262%0.62235%0.348SS*.THydrogen-bonded Turntrans-83.126178.1-43.80000114.1A136S62-A136 WeakPolarHBondContact O-CB 3.43Å; S62-A136 PolarHBondContact O-N 3.44Å
63C91.1Very high87.6Confident17 Ų1762.3 Ų62.312%0.11535%0.35CS..  trans-98.4140.2178.8-56.30000112K60 G61 Y133K60-C63 VanDerWaalsContact O-CB 3.26Å; K60-C63 WeakPolarHBondContact O-CB 3.36Å; K60-C63 PolarHBondContact O-N 3Å; K60-C63 PolarHBondContact O-SG 3.16Å; K60-C63 VanDerWaalsContact O-SG 3.39Å; G61-C63 PolarHBondContact O-N 3.13Å; G61-C63 VanDerWaalsContact O-N 3.15Å; C63-Y133 CarbonylContact C-O 3.52Å; C63-Y133 WeakPolarHBondContact CA-O 3.44Å
64G94.1Very high87.7Confident13 Ų1356.6 Ų56.613%0.13433%0.325CS..EExtended strand (participates in β ladder)trans-75.5163.7163.800000111R132 Y133G64-R132 VanDerWaalsContact O-CA 3.3Å; G64-R132 WeakPolarHBondContact O-CA 3.27Å; G64-R132 WeakPolarHBondContact O-CD 2.89Å; G64-Y133 PolarHBondContact N-O 2.82Å; G64-Y133 PolarHBondContact O-N 3.1Å
65E96.5Very high88.1Confident16 Ų1654.2 Ų54.28%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-143.5132.6-177.7-174.5174.777.600112.1H54 S55 L67 V130 A131 R132H54-E65 VanDerWaalsContact CA-OE1 3.27Å; H54-E65 WeakPolarHBondContact CA-OE1 3.45Å; H54-E65 IonicContact CE1-OE1 3.91Å; H54-E65 IonicContact CG-OE1 2.84Å; H54-E65 IonicContact ND1-OE1 2.89Å; H54-E65 PolarHBondContact ND1-OE1 3.46Å; S55-E65 WeakPolarHBondContact CB-OE2 3.27Å; S55-E65 PolarHBondContact N-OE1 2.87Å; S55-E65 VanDerWaalsContact OG-CD 3.29Å; S55-E65 PolarHBondContact OG-OE1 3.32Å; S55-E65 PolarHBondContact OG-OE2 3.04Å; E65-L67 HydrophobicContact CG-CD2 3.89Å; E65-L67 HydrophobicContact CG-CG 4.26Å; E65-V130 HydrophobicContact CG-CG1 4.19Å; E65-A131 VanDerWaalsContact CA-O 3.24Å; E65-A131 WeakPolarHBondContact CA-O 3.28Å; E65-R132 IonicContact OE2-CZ 3.74Å; E65-R132 VanDerWaalsContact OE2-CZ 3.25Å; E65-R132 IonicContact OE2-NE 3.88Å; E65-R132 PolarHBondContact OE2-NE 2.77Å; E65-R132 IonicContact OE2-NH2 3.43Å; E65-R132 PolarHBondContact OE2-NH2 3.44Å
66N97.9Very high88.7Confident1 Ų154 Ų541%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-114.4146.3161.3-71.91.4000109.2W83 H103 A106 A131 Y133N66-W83 HydrophobicContact CB-CD2 3.93Å; N66-W83 HydrophobicContact CB-CE3 4.18Å; N66-W83 HydrophobicContact CB-CH2 3.88Å; N66-W83 HydrophobicContact CB-CZ2 3.57Å; N66-W83 HydrophobicContact CB-CZ3 4.15Å; N66-H103 VanDerWaalsContact CG-CD2 3.47Å; N66-H103 WeakPolarHBondContact ND2-CA 3.44Å; N66-H103 PolarHBondContact ND2-O 2.97Å; N66-H103 VanDerWaalsContact ND2-O 3.08Å; N66-A106 WeakPolarHBondContact OD1-CB 3.4Å; N66-A131 HydrophobicContact CB-CB 4.33Å; N66-A131 PolarHBondContact N-O 2.97Å; N66-A131 PolarHBondContact O-N 3.37Å; N66-Y133 HydrophobicContact CB-CE2 4.11Å; N66-Y133 PolarHBondContact ND2-OH 2.99Å
67L97.3Very high89.3Confident11 Ų1153.3 Ų53.36%0.05831%0.306CS..EExtended strand (participates in β ladder)trans-122148.2176.1-58.6-179.4000110Y42 L46 L52 K53 E65 W83 V129 V130Y42-L67 HydrophobicContact CD1-CD2 4.49Å; Y42-L67 HydrophobicContact CE1-CD2 4.34Å; L46-L67 HydrophobicContact CD1-CD2 3.98Å; L52-L67 HydrophobicContact CD1-CB 3.97Å; L52-L67 HydrophobicContact CD1-CD1 4.34Å; K53-L67 WeakPolarHBondContact O-CD1 3.22Å; E65-L67 HydrophobicContact CG-CD2 3.89Å; E65-L67 HydrophobicContact CG-CG 4.26Å; L67-W83 PolarHBondContact O-NE1 2.81Å; L67-V129 CarbonylContact C-O 3.59Å; L67-V129 WeakPolarHBondContact CA-O 3.4Å; L67-V130 HydrophobicContact CD2-CB 4.19Å; L67-V130 HydrophobicContact CD2-CG1 4.05Å; L67-V130 HydrophobicContact CD2-CG2 3.7Å
68A97.3Very high90.4Very high7 Ų749.5 Ų49.56%0.05829%0.291CS..EExtended strand (participates in β ladder)trans-141.2147.316800000110.5V79 W83 F128 V129A68-V79 HydrophobicContact CB-CG1 3.96Å; A68-W83 HydrophobicContact CB-CZ2 3.91Å; A68-F128 WeakPolarHBondContact O-CA 3.39Å; A68-V129 HydrophobicContact CB-CB 4.24Å; A68-V129 PolarHBondContact N-O 3.34Å; A68-V129 PolarHBondContact O-N 3.04Å
69W97.4Very high91.9Very high117 Ų11744.1 Ų44.144%0.44325%0.253SS..EExtended strand (participates in β ladder)trans-132.8145.2172.8176.681.2000109.5L52 S127 F128L52-W69 HydrophobicContact CD1-CB 4.06Å; L52-W69 HydrophobicContact CD2-CB 3.85Å; L52-W69 HydrophobicContact CG-CB 4.47Å; W69-S127 WeakPolarHBondContact CA-O 3.28Å; W69-F128 AromaticContact CD1-CD1 3.69Å; W69-F128 AromaticContact CD1-CD2 3.98Å; W69-F128 AromaticContact CD1-CE1 3.3Å; W69-F128 AromaticContact CD1-CE2 3.59Å; W69-F128 AromaticContact CD1-CZ 3.24Å; W69-F128 HydrophobicContact CG-CD1 4.47Å; W69-F128 HydrophobicContact CG-CE1 4.18Å; W69-F128 HydrophobicContact CG-CZ 4.4Å; W69-F128 AromaticContact NE1-CE1 3.98Å; W69-F128 AromaticContact NE1-CE2 3.73Å; W69-F128 AromaticContact NE1-CZ 3.45Å
70A96.6Very high93.3Very high6 Ų641 Ų415%0.0523%0.231CC..EExtended strand (participates in β ladder)trans-148.9157.3165.200000110.2Y72 Q74 S126 S127A70-Y72 HydrophobicContact CB-CD1 3.93Å; A70-Y72 HydrophobicContact CB-CD2 4.49Å; A70-Y72 HydrophobicContact CB-CE1 3.73Å; A70-Y72 HydrophobicContact CB-CE2 4.33Å; A70-Y72 HydrophobicContact CB-CG 4.31Å; A70-Y72 PolarHBondContact O-N 3.16Å; A70-Y72 VanDerWaalsContact O-N 3.13Å; A70-Q74 HydrophobicContact CB-CG 3.52Å; A70-S126 CarbonylContact O-C 3.14Å; A70-S126 VanDerWaalsContact O-CA 3.23Å; A70-S126 WeakPolarHBondContact O-CA 3.33Å; A70-S126 VanDerWaalsContact O-CB 3.27Å; A70-S126 WeakPolarHBondContact O-CB 3.42Å; A70-S127 PolarHBondContact N-O 3.08Å; A70-S127 VanDerWaalsContact N-O 3.14Å; A70-S127 PolarHBondContact O-N 3.33Å
71S96Very high94.8Very high83 Ų8340.3 Ų40.358%0.5823%0.23SC*.SBendtrans-724.4174.754.60000114.4
72Y94.9Very high95.9Very high103 Ų10342.8 Ų42.840%0.40422%0.223SC..SBendtrans-138.9170.1-177.858.4-91.6000110.5A70 Q74 R82 S127A70-Y72 HydrophobicContact CB-CD1 3.93Å; A70-Y72 HydrophobicContact CB-CD2 4.49Å; A70-Y72 HydrophobicContact CB-CE1 3.73Å; A70-Y72 HydrophobicContact CB-CE2 4.33Å; A70-Y72 HydrophobicContact CB-CG 4.31Å; A70-Y72 PolarHBondContact O-N 3.16Å; A70-Y72 VanDerWaalsContact O-N 3.13Å; Y72-Q74 HydrophobicContact CD2-CG 4.36Å; Y72-Q74 HydrophobicContact CE2-CG 4.03Å; Y72-Q74 PolarHBondContact O-N 3.31Å; Y72-R82 PolarHBondContact OH-NH2 2.96Å; Y72-S127 WeakPolarHBondContact O-CB 3.47Å; Y72-S127 PolarHBondContact O-OG 3.11Å
73D94.6Very high96.5Very high91 Ų9138.8 Ų38.849%0.48720%0.195SC..PPolyproline II helixtrans-73.2119.1174.6-170.140.2000111.6K119D73-K119 WeakPolarHBondContact OD1-CD 3.49Å; D73-K119 VanDerWaalsContact OD1-CE 3.27Å; D73-K119 WeakPolarHBondContact OD1-CE 3.37Å; D73-K119 IonicContact OD1-NZ 2.66Å; D73-K119 PolarHBondContact OD1-NZ 2.85Å; D73-K119 IonicContact OD2-NZ 3.89Å; D73-K119 PolarHBondContact OD2-NZ 3.26Å
74Q94.9Very high96.9Very high1 Ų138.5 Ų38.51%0.00519%0.191CC..PPolyproline II helixtrans-88.7127.4-172-68.2170.6100.400112.2F9 A70 Y72 V79 K119 S127F9-Q74 WeakPolarHBondContact CE2-O 3.42Å; A70-Q74 HydrophobicContact CB-CG 3.52Å; Y72-Q74 HydrophobicContact CD2-CG 4.36Å; Y72-Q74 HydrophobicContact CE2-CG 4.03Å; Y72-Q74 PolarHBondContact O-N 3.31Å; Q74-V79 HydrophobicContact CB-CG2 3.71Å; Q74-V79 HydrophobicContact CG-CG2 4.44Å; Q74-K119 PolarHBondContact O-NZ 3.43Å; Q74-S127 WeakPolarHBondContact CG-OG 3.38Å; Q74-S127 PolarHBondContact N-OG 2.64Å; Q74-S127 PolarHBondContact NE2-O 3.1Å; Q74-S127 PolarHBondContact NE2-OG 2.98Å
75P96.1Very high97.1Very high55 Ų5541.5 Ų41.536%0.35720%0.204SC..PPolyproline II helixtrans-62149.4164.8-21.934.3000111.6K77 D78 V79P75-K77 VanDerWaalsContact C-N 3.3Å; P75-K77 PolarHBondContact O-N 3.38Å; P75-D78 HydrophobicContact CB-CB 4.39Å; P75-D78 WeakPolarHBondContact CD-OD2 3.3Å; P75-D78 WeakPolarHBondContact CG-OD2 3.39Å; P75-D78 PolarHBondContact O-N 3.33Å; P75-V79 WeakPolarHBondContact O-CG2 3.46Å; P75-V79 PolarHBondContact O-N 3.18Å
76G96.4Very high97.2Very high0 Ų042.1 Ų42.10%021%0.207CC..Hα-helixtrans-65-35.7-17700000113.1F9 E12 V13 A80F9-G76 VanDerWaalsContact CE2-CA 3.47Å; E12-G76 PolarHBondContact OE2-N 2.97Å; V13-G76 VanDerWaalsContact CG2-CA 3.5Å; V13-G76 WeakPolarHBondContact CG2-O 3.38Å; G76-A80 PolarHBondContact O-N 3.44Å
77K97.1Very high97.1Very high82 Ų8243.2 Ų43.236%0.35721%0.214SC..Hα-helixtrans-62.2-50.8175.7-173.6-179.6-175.7-63.20111.7P75 V79 A80 D81P75-K77 VanDerWaalsContact C-N 3.3Å; P75-K77 PolarHBondContact O-N 3.38Å; K77-V79 PolarHBondContact O-N 2.94Å; K77-A80 PolarHBondContact O-N 3.44Å; K77-D81 IonicContact NZ-OD1 3.61Å; K77-D81 IonicContact NZ-OD2 2.59Å; K77-D81 PolarHBondContact NZ-OD2 3.2Å; K77-D81 VanDerWaalsContact O-CG 3.32Å; K77-D81 PolarHBondContact O-N 3.34Å
78D97.6Very high97.1Very high69 Ų6950 Ų5037%0.36924%0.243SC..Hα-helixtrans-59.2-36.8-176.8-64.78.2000112.6P75 R82P75-D78 HydrophobicContact CB-CB 4.39Å; P75-D78 WeakPolarHBondContact CD-OD2 3.3Å; P75-D78 WeakPolarHBondContact CG-OD2 3.39Å; P75-D78 PolarHBondContact O-N 3.33Å; D78-R82 VanDerWaalsContact O-CB 3.32Å; D78-R82 WeakPolarHBondContact O-CB 3.26Å; D78-R82 PolarHBondContact O-N 2.84Å
79V98.1Very high97.1Very high0 Ų056.4 Ų56.40%027%0.271CS..Hα-helixtrans-63.7-47.9175177.70000110.9A68 Q74 P75 K77 R82 W83 V129A68-V79 HydrophobicContact CB-CG1 3.96Å; Q74-V79 HydrophobicContact CB-CG2 3.71Å; Q74-V79 HydrophobicContact CG-CG2 4.44Å; P75-V79 WeakPolarHBondContact O-CG2 3.46Å; P75-V79 PolarHBondContact O-N 3.18Å; K77-V79 PolarHBondContact O-N 2.94Å; V79-R82 PolarHBondContact O-N 2.92Å; V79-W83 HydrophobicContact CG1-CD2 3.94Å; V79-W83 HydrophobicContact CG1-CE3 3.93Å; V79-W83 HydrophobicContact CG1-CH2 3.49Å; V79-W83 VanDerWaalsContact CG1-CH2 3.49Å; V79-W83 HydrophobicContact CG1-CZ2 3.52Å; V79-W83 HydrophobicContact CG1-CZ3 3.72Å; V79-W83 PolarHBondContact O-N 2.76Å; V79-W83 VanDerWaalsContact O-N 3.1Å; V79-V129 HydrophobicContact CG1-CB 4.45Å; V79-V129 HydrophobicContact CG1-CG1 4.06Å; V79-V129 HydrophobicContact CG2-CG2 4.08Å
80A98.3Very high97.1Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-64.8-42.6179.800000111.6G76 K77 W83 Y84 M107G76-A80 PolarHBondContact O-N 3.44Å; K77-A80 PolarHBondContact O-N 3.44Å; A80-W83 PolarHBondContact O-N 3.37Å; A80-Y84 WeakPolarHBondContact O-CB 3.26Å; A80-Y84 PolarHBondContact O-N 2.97Å; A80-M107 HydrophobicContact CB-CE 4.02Å; A80-M107 WeakPolarHBondContact O-CE 3.45Å
81D98.2Very high97.1Very high34 Ų3455.1 Ų55.118%0.18227%0.271CS..Hα-helixtrans-62-44177.6-67.85.6000111Y20 K77 W83 Y84 D85Y20-D81 PolarHBondContact OH-OD1 3.07Å; K77-D81 IonicContact NZ-OD1 3.61Å; K77-D81 IonicContact NZ-OD2 2.59Å; K77-D81 PolarHBondContact NZ-OD2 3.2Å; K77-D81 VanDerWaalsContact O-CG 3.32Å; K77-D81 PolarHBondContact O-N 3.34Å; D81-W83 PolarHBondContact O-N 3.49Å; D81-Y84 PolarHBondContact O-N 2.86Å; D81-D85 WeakPolarHBondContact O-CB 3.32Å; D81-D85 PolarHBondContact O-N 3.2Å
82R98.1Very high97.1Very high103 Ų10354 Ų5439%0.38926%0.256SS..Hα-helixtrans-62.5-42.6177.8-173.7-177.5-65.9150.82.6112.3Y72 D78 V79 Y84Y72-R82 PolarHBondContact OH-NH2 2.96Å; D78-R82 VanDerWaalsContact O-CB 3.32Å; D78-R82 WeakPolarHBondContact O-CB 3.26Å; D78-R82 PolarHBondContact O-N 2.84Å; V79-R82 PolarHBondContact O-N 2.92Å; R82-Y84 VanDerWaalsContact C-N 3.35Å
83W98.4Very high97.1Very high5 Ų556.3 Ų56.32%0.01928%0.275CS..Hα-helixtrans-66.6-37.4174.6-71.9-27.2000112.2H17 N66 L67 A68 V79 A80 D81 H103 F104 M107 V129 A131H17-W83 AromaticContact CE1-CE3 3.94Å; H17-W83 AromaticContact CE1-CZ3 3.9Å; N66-W83 HydrophobicContact CB-CD2 3.93Å; N66-W83 HydrophobicContact CB-CE3 4.18Å; N66-W83 HydrophobicContact CB-CH2 3.88Å; N66-W83 HydrophobicContact CB-CZ2 3.57Å; N66-W83 HydrophobicContact CB-CZ3 4.15Å; L67-W83 PolarHBondContact O-NE1 2.81Å; A68-W83 HydrophobicContact CB-CZ2 3.91Å; V79-W83 HydrophobicContact CG1-CD2 3.94Å; V79-W83 HydrophobicContact CG1-CE3 3.93Å; V79-W83 HydrophobicContact CG1-CH2 3.49Å; V79-W83 VanDerWaalsContact CG1-CH2 3.49Å; V79-W83 HydrophobicContact CG1-CZ2 3.52Å; V79-W83 HydrophobicContact CG1-CZ3 3.72Å; V79-W83 PolarHBondContact O-N 2.76Å; V79-W83 VanDerWaalsContact O-N 3.1Å; A80-W83 PolarHBondContact O-N 3.37Å; D81-W83 PolarHBondContact O-N 3.49Å; W83-H103 HydrophobicContact CB-CB 3.78Å; W83-H103 AromaticContact CD1-CD2 4Å; W83-H103 AromaticContact CD1-CG 3.49Å; W83-H103 VanDerWaalsContact CD1-CG 3.49Å; W83-H103 AromaticContact CD1-ND1 3.69Å; W83-H103 HydrophobicContact CG-CB 3.77Å; W83-H103 AromaticContact NE1-CG 3.97Å; W83-F104 WeakPolarHBondContact O-CA 3.49Å; W83-F104 PolarHBondContact O-N 3.15Å; W83-M107 HydrophobicContact CB-CG 4.34Å; W83-M107 HydrophobicContact CB-SD 3.32Å; W83-M107 WeakPolarHBondContact CB-SD 3.39Å; W83-M107 HydrophobicContact CE3-SD 4.4Å; W83-M107 HydrophobicContact CG-SD 4.44Å; W83-V129 HydrophobicContact CH2-CG1 4.13Å; W83-A131 HydrophobicContact CH2-CB 3.48Å; W83-A131 VanDerWaalsContact CH2-CB 3.48Å; W83-A131 HydrophobicContact CZ3-CB 3.62Å
84Y98.6Very high97Very high12 Ų1261.6 Ų61.65%0.04729%0.288CS..Hα-helixtrans-69.4-34.1178.4-179.1-102.6000112.6Y20 H24 A80 D81 R82 E86 V87 F104 V108Y20-Y84 AromaticContact CD1-CD1 3.5Å; Y20-Y84 HydrophobicContact CD1-CD1 3.5Å; Y20-Y84 AromaticContact CD1-CD2 3.57Å; Y20-Y84 HydrophobicContact CD1-CD2 3.57Å; Y20-Y84 AromaticContact CD1-CE1 3.47Å; Y20-Y84 HydrophobicContact CD1-CE1 3.47Å; Y20-Y84 VanDerWaalsContact CD1-CE1 3.47Å; Y20-Y84 AromaticContact CD1-CE2 3.56Å; Y20-Y84 HydrophobicContact CD1-CE2 3.56Å; Y20-Y84 AromaticContact CD1-CG 3.54Å; Y20-Y84 HydrophobicContact CD1-CG 3.54Å; Y20-Y84 AromaticContact CD1-CZ 3.51Å; Y20-Y84 HydrophobicContact CD2-CD1 4.36Å; Y20-Y84 AromaticContact CD2-CD2 3.9Å; Y20-Y84 HydrophobicContact CD2-CD2 3.9Å; Y20-Y84 AromaticContact CD2-CG 3.74Å; Y20-Y84 HydrophobicContact CD2-CG 3.74Å; Y20-Y84 AromaticContact CE1-CD1 3.22Å; Y20-Y84 HydrophobicContact CE1-CD1 3.22Å; Y20-Y84 HydrophobicContact CE1-CD2 4.15Å; Y20-Y84 AromaticContact CE1-CE1 3.41Å; Y20-Y84 HydrophobicContact CE1-CE1 3.41Å; Y20-Y84 VanDerWaalsContact CE1-CE1 3.41Å; Y20-Y84 HydrophobicContact CE1-CE2 4.31Å; Y20-Y84 AromaticContact CE1-CG 3.62Å; Y20-Y84 HydrophobicContact CE1-CG 3.62Å; Y20-Y84 AromaticContact CE1-CZ 3.97Å; Y20-Y84 HydrophobicContact CE2-CD1 4.13Å; Y20-Y84 HydrophobicContact CE2-CD2 4.43Å; Y20-Y84 AromaticContact CE2-CG 3.8Å; Y20-Y84 HydrophobicContact CE2-CG 3.8Å; Y20-Y84 HydrophobicContact CG-CD1 4.07Å; Y20-Y84 AromaticContact CG-CD2 3.43Å; Y20-Y84 HydrophobicContact CG-CD2 3.43Å; Y20-Y84 VanDerWaalsContact CG-CD2 3.43Å; Y20-Y84 HydrophobicContact CG-CE1 4.34Å; Y20-Y84 AromaticContact CG-CE2 3.75Å; Y20-Y84 HydrophobicContact CG-CE2 3.75Å; Y20-Y84 AromaticContact CG-CG 3.6Å; Y20-Y84 HydrophobicContact CG-CG 3.6Å; Y20-Y84 AromaticContact CZ-CD1 3.55Å; Y20-Y84 AromaticContact CZ-CG 3.73Å; H24-Y84 AromaticContact CD2-CE2 3.82Å; H24-Y84 AromaticContact NE2-CE2 3.31Å; H24-Y84 VanDerWaalsContact NE2-CE2 3.31Å; H24-Y84 WeakPolarHBondContact NE2-CE2 3.34Å; H24-Y84 AromaticContact NE2-CZ 3.52Å; H24-Y84 PolarHBondContact NE2-OH 2.84Å; A80-Y84 WeakPolarHBondContact O-CB 3.26Å; A80-Y84 PolarHBondContact O-N 2.97Å; D81-Y84 PolarHBondContact O-N 2.86Å; R82-Y84 VanDerWaalsContact C-N 3.35Å; Y84-E86 PolarHBondContact O-N 2.66Å; Y84-V87 HydrophobicContact CD1-CG1 4.21Å; Y84-V87 HydrophobicContact CE1-CG1 3.83Å; Y84-V87 VanDerWaalsContact O-CB 3.26Å; Y84-V87 WeakPolarHBondContact O-CB 3.29Å; Y84-V87 WeakPolarHBondContact O-CG1 3.5Å; Y84-V87 PolarHBondContact O-N 2.86Å; Y84-F104 AromaticContact CD2-CD2 3.93Å; Y84-F104 HydrophobicContact CD2-CD2 3.93Å; Y84-F104 HydrophobicContact CD2-CE2 4.27Å; Y84-F104 HydrophobicContact CE2-CD2 4.07Å; Y84-F104 AromaticContact CE2-CE2 3.94Å; Y84-F104 HydrophobicContact CE2-CE2 3.94Å; Y84-V108 HydrophobicContact CE2-CG1 4.46Å
85D98.3Very high97Very high75 Ų7563.3 Ų63.340%0.40130%0.3SS..G310 helixtrans-57.7-21.4-177.1-106.66.8000114.1D81 V87 K88D81-D85 WeakPolarHBondContact O-CB 3.32Å; D81-D85 PolarHBondContact O-N 3.2Å; D85-V87 PolarHBondContact O-N 3.38Å; D85-V87 VanDerWaalsContact O-N 3.13Å; D85-K88 WeakPolarHBondContact O-CB 3.45Å; D85-K88 WeakPolarHBondContact O-CD 3.24Å; D85-K88 VanDerWaalsContact O-CG 3.28Å; D85-K88 WeakPolarHBondContact O-CG 3.29Å; D85-K88 PolarHBondContact O-N 3.14Å; D85-K88 VanDerWaalsContact O-N 3.1Å; D85-K88 VanDerWaalsContact OD1-CE 3.3Å; D85-K88 WeakPolarHBondContact OD1-CE 3.42Å; D85-K88 IonicContact OD1-NZ 2.92Å; D85-K88 PolarHBondContact OD1-NZ 2.93Å; D85-K88 IonicContact OD2-NZ 2.82Å; D85-K88 PolarHBondContact OD2-NZ 2.94Å
86E98.2Very high96.8Very high30 Ų3061.9 Ų61.914%0.1430%0.295CS..G310 helixtrans-57.9-19169.3-69.2-173.3177.300113.8Y84 K88 Q89 Y90 G100 T101 G102 H103 F104Y84-E86 PolarHBondContact O-N 2.66Å; E86-K88 PolarHBondContact O-N 2.68Å; E86-K88 VanDerWaalsContact O-N 3.09Å; E86-Q89 PolarHBondContact O-N 3.24Å; E86-Y90 PolarHBondContact O-N 2.85Å; E86-G100 VanDerWaalsContact CB-O 3.26Å; E86-G100 WeakPolarHBondContact CB-O 3.47Å; E86-G100 WeakPolarHBondContact CG-O 3.4Å; E86-T101 VanDerWaalsContact OE2-CA 3.22Å; E86-T101 WeakPolarHBondContact OE2-CA 3.28Å; E86-G102 PolarHBondContact OE2-N 3.36Å; E86-H103 IonicContact OE1-CE1 2.68Å; E86-H103 IonicContact OE1-CG 3.97Å; E86-H103 IonicContact OE1-ND1 3.89Å; E86-H103 PolarHBondContact OE1-ND1 2.88Å; E86-H103 WeakPolarHBondContact OE2-CA 3.39Å; E86-H103 VanDerWaalsContact OE2-CB 3.28Å; E86-H103 WeakPolarHBondContact OE2-CB 3.44Å; E86-H103 IonicContact OE2-CG 3.62Å; E86-H103 PolarHBondContact OE2-N 3.13Å; E86-H103 IonicContact OE2-ND1 2.7Å; E86-F104 HydrophobicContact CB-CB 3.65Å; E86-F104 PolarHBondContact OE2-N 2.87Å; E86-F104 VanDerWaalsContact OE2-N 3.1Å
87V97.7Very high96.7Very high23 Ų2367.4 Ų67.414%0.13932%0.319CS..G310 helixtrans-52.9-30.2171.471.60000112.2Y84 D85 Q89 Y90 F92 F104Y84-V87 HydrophobicContact CD1-CG1 4.21Å; Y84-V87 HydrophobicContact CE1-CG1 3.83Å; Y84-V87 VanDerWaalsContact O-CB 3.26Å; Y84-V87 WeakPolarHBondContact O-CB 3.29Å; Y84-V87 WeakPolarHBondContact O-CG1 3.5Å; Y84-V87 PolarHBondContact O-N 2.86Å; D85-V87 PolarHBondContact O-N 3.38Å; D85-V87 VanDerWaalsContact O-N 3.13Å; V87-Q89 PolarHBondContact O-N 2.93Å; V87-Y90 PolarHBondContact O-N 2.89Å; V87-Y90 VanDerWaalsContact O-N 3.09Å; V87-F92 HydrophobicContact CG2-CE2 4.13Å; V87-F92 HydrophobicContact CG2-CZ 3.9Å; V87-F104 HydrophobicContact CB-CD1 4.45Å; V87-F104 HydrophobicContact CB-CD2 3.7Å; V87-F104 HydrophobicContact CB-CE2 3.76Å; V87-F104 HydrophobicContact CB-CG 4.08Å; V87-F104 HydrophobicContact CB-CZ 4.19Å; V87-F104 HydrophobicContact CG2-CD2 4.1Å; V87-F104 HydrophobicContact CG2-CE1 4.23Å; V87-F104 HydrophobicContact CG2-CE2 3.6Å; V87-F104 HydrophobicContact CG2-CZ 3.69Å
88K96.8Very high96.5Very high154 Ų15465.9 Ų65.967%0.6732%0.319SS*.G310 helixtrans-62-22.8177.1-63.7166.9-175.3166.10112.6D85 E86D85-K88 WeakPolarHBondContact O-CB 3.45Å; D85-K88 WeakPolarHBondContact O-CD 3.24Å; D85-K88 VanDerWaalsContact O-CG 3.28Å; D85-K88 WeakPolarHBondContact O-CG 3.29Å; D85-K88 PolarHBondContact O-N 3.14Å; D85-K88 VanDerWaalsContact O-N 3.1Å; D85-K88 VanDerWaalsContact OD1-CE 3.3Å; D85-K88 WeakPolarHBondContact OD1-CE 3.42Å; D85-K88 IonicContact OD1-NZ 2.92Å; D85-K88 PolarHBondContact OD1-NZ 2.93Å; D85-K88 IonicContact OD2-NZ 2.82Å; D85-K88 PolarHBondContact OD2-NZ 2.94Å; E86-K88 PolarHBondContact O-N 2.68Å; E86-K88 VanDerWaalsContact O-N 3.09Å
89Q96.8Very high96.1Very high141 Ų14168.1 Ų68.166%0.65934%0.34SS*.G310 helixtrans-101.4-9.4178.6-57.1-176.313.500112.6E86 V87 T101E86-Q89 PolarHBondContact O-N 3.24Å; V87-Q89 PolarHBondContact O-N 2.93Å; Q89-T101 HydrophobicContact CB-CG2 3.97Å
90Y97.4Very high95.8Very high18 Ų1869 Ų697%0.07135%0.349CS..  trans-82.7124.8-175.8-166.6-100.2000112E86 V87 F92 P95 G96 T101 F104 T105 F145 V149E86-Y90 PolarHBondContact O-N 2.85Å; V87-Y90 PolarHBondContact O-N 2.89Å; V87-Y90 VanDerWaalsContact O-N 3.09Å; Y90-F92 AromaticContact CD1-CD1 3.68Å; Y90-F92 HydrophobicContact CD1-CD1 3.68Å; Y90-F92 HydrophobicContact CD1-CD2 4.1Å; Y90-F92 AromaticContact CD1-CE1 3.6Å; Y90-F92 HydrophobicContact CD1-CE1 3.6Å; Y90-F92 HydrophobicContact CD1-CE2 4.03Å; Y90-F92 AromaticContact CD1-CG 3.93Å; Y90-F92 HydrophobicContact CD1-CG 3.93Å; Y90-F92 AromaticContact CD1-CZ 3.78Å; Y90-F92 HydrophobicContact CD1-CZ 3.78Å; Y90-F92 AromaticContact CE1-CD1 3.68Å; Y90-F92 HydrophobicContact CE1-CD1 3.68Å; Y90-F92 AromaticContact CE1-CE1 3.85Å; Y90-F92 HydrophobicContact CE1-CE1 3.85Å; Y90-F92 HydrophobicContact CE1-CG 4.18Å; Y90-F92 HydrophobicContact CE1-CZ 4.48Å; Y90-P95 WeakPolarHBondContact OH-CA 3.27Å; Y90-P95 WeakPolarHBondContact OH-CB 3.47Å; Y90-G96 WeakPolarHBondContact CE2-O 3.27Å; Y90-G96 PolarHBondContact OH-N 3.07Å; Y90-T101 HydrophobicContact CD2-CG2 3.9Å; Y90-T101 HydrophobicContact CG-CG2 4.47Å; Y90-F104 AromaticContact CD1-CE1 3.81Å; Y90-F104 HydrophobicContact CD1-CE1 3.81Å; Y90-F104 HydrophobicContact CD2-CD1 4.24Å; Y90-F104 HydrophobicContact CD2-CE1 4.12Å; Y90-F104 HydrophobicContact CE1-CE1 4.4Å; Y90-F104 HydrophobicContact CG-CD1 4.05Å; Y90-F104 AromaticContact CG-CE1 3.64Å; Y90-F104 HydrophobicContact CG-CE1 3.64Å; Y90-T105 HydrophobicContact CD2-CG2 3.82Å; Y90-T105 HydrophobicContact CE2-CG2 3.46Å; Y90-T105 VanDerWaalsContact CE2-CG2 3.46Å; Y90-F145 HydrophobicContact CE2-CD1 4.48Å; Y90-F145 WeakPolarHBondContact OH-CD1 3.37Å; Y90-V149 HydrophobicContact CD1-CG1 4.24Å; Y90-V149 HydrophobicContact CE1-CB 4.39Å; Y90-V149 HydrophobicContact CE1-CG1 3.61Å; Y90-V149 HydrophobicContact CE2-CG1 4.47Å
91N96Very high95.7Very high78 Ų7869.1 Ų69.142%0.41735%0.35SS..  trans-95.4101.3175.4-173.4-13.5000110.8N93 R94N91-N93 PolarHBondContact O-N 2.91Å; N91-N93 WeakPolarHBondContact OD1-CA 3.23Å; N91-N93 WeakPolarHBondContact OD1-CB 3.37Å; N91-N93 PolarHBondContact OD1-N 3.32Å; N91-R94 HydrophobicContact CB-CB 4.37Å; N91-R94 CarbonylContact O-C 3.57Å; N91-R94 PolarHBondContact O-N 2.75Å; N91-R94 PolarHBondContact OD1-N 2.92Å
92F95.7Very high95.6Very high60 Ų6068 Ų6826%0.26335%0.346SS..THydrogen-bonded Turntrans-63.3-20.6178.1-64.8-82.7000114.2H24 V87 Y90 R94 F104 V149 L150 P151H24-F92 AromaticContact CE1-CZ 3.97Å; V87-F92 HydrophobicContact CG2-CE2 4.13Å; V87-F92 HydrophobicContact CG2-CZ 3.9Å; Y90-F92 AromaticContact CD1-CD1 3.68Å; Y90-F92 HydrophobicContact CD1-CD1 3.68Å; Y90-F92 HydrophobicContact CD1-CD2 4.1Å; Y90-F92 AromaticContact CD1-CE1 3.6Å; Y90-F92 HydrophobicContact CD1-CE1 3.6Å; Y90-F92 HydrophobicContact CD1-CE2 4.03Å; Y90-F92 AromaticContact CD1-CG 3.93Å; Y90-F92 HydrophobicContact CD1-CG 3.93Å; Y90-F92 AromaticContact CD1-CZ 3.78Å; Y90-F92 HydrophobicContact CD1-CZ 3.78Å; Y90-F92 AromaticContact CE1-CD1 3.68Å; Y90-F92 HydrophobicContact CE1-CD1 3.68Å; Y90-F92 AromaticContact CE1-CE1 3.85Å; Y90-F92 HydrophobicContact CE1-CE1 3.85Å; Y90-F92 HydrophobicContact CE1-CG 4.18Å; Y90-F92 HydrophobicContact CE1-CZ 4.48Å; F92-R94 VanDerWaalsContact C-N 3.33Å; F92-F104 HydrophobicContact CE1-CE1 4.46Å; F92-F104 HydrophobicContact CE1-CZ 4.12Å; F92-F104 HydrophobicContact CZ-CE1 4.25Å; F92-F104 AromaticContact CZ-CZ 3.84Å; F92-F104 HydrophobicContact CZ-CZ 3.84Å; F92-V149 HydrophobicContact CE1-CG1 4.19Å; F92-L150 WeakPolarHBondContact CE1-O 3.39Å; F92-P151 HydrophobicContact CD1-CB 4.01Å; F92-P151 HydrophobicContact CE1-CB 4.4Å; F92-P151 HydrophobicContact CG-CB 4.17Å
93N94.9Very high95.6Very high151 Ų15165.3 Ų65.381%0.80734%0.338SS*.THydrogen-bonded Turntrans-83.8-10.8174.7-59.9-43.3000112.8N91N91-N93 PolarHBondContact O-N 2.91Å; N91-N93 WeakPolarHBondContact OD1-CA 3.23Å; N91-N93 WeakPolarHBondContact OD1-CB 3.37Å; N91-N93 PolarHBondContact OD1-N 3.32Å
94R94.2Very high95.6Very high202 Ų20265 Ų6576%0.76234%0.337SS*.SBendtrans-134.565175.5-65.9-173.766.3-147.8-2109.5N91 F92N91-R94 HydrophobicContact CB-CB 4.37Å; N91-R94 CarbonylContact O-C 3.57Å; N91-R94 PolarHBondContact O-N 2.75Å; N91-R94 PolarHBondContact OD1-N 2.92Å; F92-R94 VanDerWaalsContact C-N 3.33Å
95P93.9Very high95.6Very high38 Ų3864.5 Ų64.525%0.24734%0.335CS..  trans-65.1138.3-173.225.7-31.4000111Y90 F145 D146Y90-P95 WeakPolarHBondContact OH-CA 3.27Å; Y90-P95 WeakPolarHBondContact OH-CB 3.47Å; P95-F145 HydrophobicContact CB-CB 3.96Å; P95-D146 HydrophobicContact CG-CB 4.44Å; P95-D146 VanDerWaalsContact CG-CG 3.4Å; P95-D146 WeakPolarHBondContact CG-OD1 3.29Å
96G93.1Very high95.6Very high25 Ų2561 Ų6126%0.25832%0.317SS..  trans171.4179.617900000112.2Y90 F145Y90-G96 WeakPolarHBondContact CE2-O 3.27Å; Y90-G96 PolarHBondContact OH-N 3.07Å; G96-F145 WeakPolarHBondContact O-CD1 3.41Å; G96-F145 WeakPolarHBondContact O-CE1 3.36Å
97F93.5Very high95.6Very high116 Ų11659.6 Ų59.651%0.50931%0.31SS..  trans-80.4138.5174.1-179.2-100.6000110.8N138 T140 F145F97-N138 HydrophobicContact CD2-CB 4.49Å; F97-T140 HydrophobicContact CB-CG2 3.92Å; F97-T140 HydrophobicContact CG-CG2 4.46Å; F97-F145 HydrophobicContact CB-CE1 4.44Å; F97-F145 HydrophobicContact CB-CE2 4.09Å; F97-F145 HydrophobicContact CB-CZ 3.66Å; F97-F145 HydrophobicContact CD2-CZ 4.3Å; F97-F145 HydrophobicContact CG-CZ 4.5Å
98S93.1Very high95.7Very high49 Ų4958.5 Ų58.534%0.34330%0.304SS..  trans-141.1153.2162.784.20000109G100 T101 G102S98-G100 PolarHBondContact O-N 3.37Å; S98-T101 PolarHBondContact O-N 3.13Å; S98-T101 VanDerWaalsContact O-N 3.16Å; S98-T101 PolarHBondContact O-OG1 2.86Å; S98-T101 WeakPolarHBondContact OG-CB 3.37Å; S98-T101 VanDerWaalsContact OG-CG2 3.27Å; S98-T101 WeakPolarHBondContact OG-CG2 3.48Å; S98-T101 PolarHBondContact OG-N 3.01Å; S98-T101 PolarHBondContact OG-OG1 2.86Å; S98-G102 PolarHBondContact O-N 3.39Å
99S88.6Confident95.8Very high116 Ų11651.4 Ų51.481%0.81127%0.273SS*.THydrogen-bonded Turntrans-62.1-25.8179.651.10000113.2
100G92.7Very high95.8Very high20 Ų2049 Ų4921%0.20626%0.26CS..THydrogen-bonded Turntrans-91.70.8178.700000114.9E86 S98E86-G100 VanDerWaalsContact CB-O 3.26Å; E86-G100 WeakPolarHBondContact CB-O 3.47Å; E86-G100 WeakPolarHBondContact CG-O 3.4Å; S98-G100 PolarHBondContact O-N 3.37Å
101T96.6Very high95.8Very high2 Ų249.4 Ų49.41%0.01227%0.269CS..THydrogen-bonded Turntrans-128.4-1.4-177.965.70000114.3E86 Q89 Y90 S98 H103 F104 T105E86-T101 VanDerWaalsContact OE2-CA 3.22Å; E86-T101 WeakPolarHBondContact OE2-CA 3.28Å; Q89-T101 HydrophobicContact CB-CG2 3.97Å; Y90-T101 HydrophobicContact CD2-CG2 3.9Å; Y90-T101 HydrophobicContact CG-CG2 4.47Å; S98-T101 PolarHBondContact O-N 3.13Å; S98-T101 VanDerWaalsContact O-N 3.16Å; S98-T101 PolarHBondContact O-OG1 2.86Å; S98-T101 WeakPolarHBondContact OG-CB 3.37Å; S98-T101 VanDerWaalsContact OG-CG2 3.27Å; S98-T101 WeakPolarHBondContact OG-CG2 3.48Å; S98-T101 PolarHBondContact OG-N 3.01Å; S98-T101 PolarHBondContact OG-OG1 2.86Å; T101-H103 VanDerWaalsContact C-N 3.31Å; T101-H103 PolarHBondContact O-N 2.86Å; T101-F104 PolarHBondContact O-N 3.41Å; T101-T105 WeakPolarHBondContact O-CG2 3.49Å; T101-T105 PolarHBondContact O-N 3.48Å; T101-T105 PolarHBondContact O-OG1 2.75Å; T101-T105 VanDerWaalsContact O-OG1 3.13Å
102G96.1Very high96Very high10 Ų1045.8 Ų45.810%0.10325%0.25CC..Hα-helixtrans-64.3-33.1-172.800000113.5E86 S98 T105 A106 N138E86-G102 PolarHBondContact OE2-N 3.36Å; S98-G102 PolarHBondContact O-N 3.39Å; G102-T105 PolarHBondContact O-OG1 3.05Å; G102-A106 WeakPolarHBondContact O-CB 3.24Å; G102-A106 PolarHBondContact O-N 3.12Å; G102-A106 VanDerWaalsContact O-N 3.16Å; G102-N138 PolarHBondContact O-ND2 3.43Å
103H98.1Very high96.1Very high46 Ų4647.7 Ų47.721%0.21326%0.258CS..Hα-helixtrans-72.1-46.5178.5-58.7130.7000110.8N66 W83 E86 T101 T105 A106 M107N66-H103 VanDerWaalsContact CG-CD2 3.47Å; N66-H103 WeakPolarHBondContact ND2-CA 3.44Å; N66-H103 PolarHBondContact ND2-O 2.97Å; N66-H103 VanDerWaalsContact ND2-O 3.08Å; W83-H103 HydrophobicContact CB-CB 3.78Å; W83-H103 AromaticContact CD1-CD2 4Å; W83-H103 AromaticContact CD1-CG 3.49Å; W83-H103 VanDerWaalsContact CD1-CG 3.49Å; W83-H103 AromaticContact CD1-ND1 3.69Å; W83-H103 HydrophobicContact CG-CB 3.77Å; W83-H103 AromaticContact NE1-CG 3.97Å; E86-H103 IonicContact OE1-CE1 2.68Å; E86-H103 IonicContact OE1-CG 3.97Å; E86-H103 IonicContact OE1-ND1 3.89Å; E86-H103 PolarHBondContact OE1-ND1 2.88Å; E86-H103 WeakPolarHBondContact OE2-CA 3.39Å; E86-H103 VanDerWaalsContact OE2-CB 3.28Å; E86-H103 WeakPolarHBondContact OE2-CB 3.44Å; E86-H103 IonicContact OE2-CG 3.62Å; E86-H103 PolarHBondContact OE2-N 3.13Å; E86-H103 IonicContact OE2-ND1 2.7Å; T101-H103 VanDerWaalsContact C-N 3.31Å; T101-H103 PolarHBondContact O-N 2.86Å; H103-T105 PolarHBondContact O-N 2.89Å; H103-A106 PolarHBondContact O-N 2.94Å; H103-M107 WeakPolarHBondContact O-CG 3.29Å; H103-M107 PolarHBondContact O-N 3.37Å; H103-M107 VanDerWaalsContact O-N 3.11Å
104F98.6Very high96.2Very high0 Ų045.3 Ų45.30%024%0.241CC..Hα-helixtrans-56.4-51.4175.3155.3-106000111H24 W83 Y84 E86 V87 Y90 F92 T101 A106 M107 V108 V149H24-F104 AromaticContact CE1-CE2 3.64Å; H24-F104 AromaticContact CE1-CZ 3.73Å; H24-F104 AromaticContact NE2-CE2 3.83Å; W83-F104 WeakPolarHBondContact O-CA 3.49Å; W83-F104 PolarHBondContact O-N 3.15Å; Y84-F104 AromaticContact CD2-CD2 3.93Å; Y84-F104 HydrophobicContact CD2-CD2 3.93Å; Y84-F104 HydrophobicContact CD2-CE2 4.27Å; Y84-F104 HydrophobicContact CE2-CD2 4.07Å; Y84-F104 AromaticContact CE2-CE2 3.94Å; Y84-F104 HydrophobicContact CE2-CE2 3.94Å; E86-F104 HydrophobicContact CB-CB 3.65Å; E86-F104 PolarHBondContact OE2-N 2.87Å; E86-F104 VanDerWaalsContact OE2-N 3.1Å; V87-F104 HydrophobicContact CB-CD1 4.45Å; V87-F104 HydrophobicContact CB-CD2 3.7Å; V87-F104 HydrophobicContact CB-CE2 3.76Å; V87-F104 HydrophobicContact CB-CG 4.08Å; V87-F104 HydrophobicContact CB-CZ 4.19Å; V87-F104 HydrophobicContact CG2-CD2 4.1Å; V87-F104 HydrophobicContact CG2-CE1 4.23Å; V87-F104 HydrophobicContact CG2-CE2 3.6Å; V87-F104 HydrophobicContact CG2-CZ 3.69Å; Y90-F104 AromaticContact CD1-CE1 3.81Å; Y90-F104 HydrophobicContact CD1-CE1 3.81Å; Y90-F104 HydrophobicContact CD2-CD1 4.24Å; Y90-F104 HydrophobicContact CD2-CE1 4.12Å; Y90-F104 HydrophobicContact CE1-CE1 4.4Å; Y90-F104 HydrophobicContact CG-CD1 4.05Å; Y90-F104 AromaticContact CG-CE1 3.64Å; Y90-F104 HydrophobicContact CG-CE1 3.64Å; F92-F104 HydrophobicContact CE1-CE1 4.46Å; F92-F104 HydrophobicContact CE1-CZ 4.12Å; F92-F104 HydrophobicContact CZ-CE1 4.25Å; F92-F104 AromaticContact CZ-CZ 3.84Å; F92-F104 HydrophobicContact CZ-CZ 3.84Å; T101-F104 PolarHBondContact O-N 3.41Å; F104-A106 VanDerWaalsContact C-N 3.26Å; F104-A106 PolarHBondContact O-N 3.45Å; F104-M107 WeakPolarHBondContact O-CB 3.49Å; F104-M107 PolarHBondContact O-N 3.28Å; F104-V108 HydrophobicContact CD2-CG1 4.24Å; F104-V108 HydrophobicContact CD2-CG2 4.23Å; F104-V108 HydrophobicContact CE1-CG2 4.3Å; F104-V108 HydrophobicContact CE2-CB 4.37Å; F104-V108 HydrophobicContact CE2-CG1 3.81Å; F104-V108 HydrophobicContact CE2-CG2 3.64Å; F104-V108 HydrophobicContact CZ-CG2 3.67Å; F104-V108 PolarHBondContact O-N 3.08Å; F104-V108 VanDerWaalsContact O-N 3.15Å; F104-V149 HydrophobicContact CE1-CG1 3.62Å; F104-V149 HydrophobicContact CZ-CG1 3.87Å
105T98.3Very high96.4Very high0 Ų035.7 Ų35.70%020%0.204CC..Hα-helixtrans-64.9-32-17655.70000112.4Y90 T101 G102 H103 W109 N138 F145 V149Y90-T105 HydrophobicContact CD2-CG2 3.82Å; Y90-T105 HydrophobicContact CE2-CG2 3.46Å; Y90-T105 VanDerWaalsContact CE2-CG2 3.46Å; T101-T105 WeakPolarHBondContact O-CG2 3.49Å; T101-T105 PolarHBondContact O-N 3.48Å; T101-T105 PolarHBondContact O-OG1 2.75Å; T101-T105 VanDerWaalsContact O-OG1 3.13Å; G102-T105 PolarHBondContact O-OG1 3.05Å; H103-T105 PolarHBondContact O-N 2.89Å; T105-W109 WeakPolarHBondContact O-CB 3.41Å; T105-W109 PolarHBondContact O-N 2.62Å; T105-W109 VanDerWaalsContact O-N 3.11Å; T105-N138 VanDerWaalsContact CB-OD1 3.28Å; T105-N138 WeakPolarHBondContact CB-OD1 3.3Å; T105-N138 PolarHBondContact OG1-OD1 2.85Å; T105-F145 HydrophobicContact CG2-CD1 4.24Å; T105-F145 HydrophobicContact CG2-CE1 3.92Å; T105-V149 HydrophobicContact CG2-CG1 3.96Å; T105-V149 HydrophobicContact CG2-CG2 3.87Å
106A98.1Very high96.6Very high3 Ų333.9 Ų33.93%0.02519%0.193CC..Hα-helixtrans-66.3-40.9172.800000112.4N66 G102 H103 F104 Y133 N138N66-A106 WeakPolarHBondContact OD1-CB 3.4Å; G102-A106 WeakPolarHBondContact O-CB 3.24Å; G102-A106 PolarHBondContact O-N 3.12Å; G102-A106 VanDerWaalsContact O-N 3.16Å; H103-A106 PolarHBondContact O-N 2.94Å; F104-A106 VanDerWaalsContact C-N 3.26Å; F104-A106 PolarHBondContact O-N 3.45Å; A106-Y133 HydrophobicContact CB-CD2 4.13Å; A106-Y133 HydrophobicContact CB-CE2 3.87Å; A106-N138 PolarHBondContact N-OD1 3.46Å
107M98.5Very high96.9Very high0 Ų032.7 Ų32.70%018%0.18CC..Hα-helixtrans-62.3-46.3179-70.3179.171.900112.2Y20 R21 A80 W83 H103 F104Y20-M107 HydrophobicContact CD2-CE 3.87Å; Y20-M107 HydrophobicContact CE2-CE 4.5Å; R21-M107 WeakPolarHBondContact CD-O 3.47Å; R21-M107 WeakPolarHBondContact CG-O 3.29Å; R21-M107 PolarHBondContact NH1-O 3.48Å; A80-M107 HydrophobicContact CB-CE 4.02Å; A80-M107 WeakPolarHBondContact O-CE 3.45Å; W83-M107 HydrophobicContact CB-CG 4.34Å; W83-M107 HydrophobicContact CB-SD 3.32Å; W83-M107 WeakPolarHBondContact CB-SD 3.39Å; W83-M107 HydrophobicContact CE3-SD 4.4Å; W83-M107 HydrophobicContact CG-SD 4.44Å; H103-M107 WeakPolarHBondContact O-CG 3.29Å; H103-M107 PolarHBondContact O-N 3.37Å; H103-M107 VanDerWaalsContact O-N 3.11Å; F104-M107 WeakPolarHBondContact O-CB 3.49Å; F104-M107 PolarHBondContact O-N 3.28Å
108V98.5Very high97Very high0 Ų027.2 Ų27.20%016%0.157CC..Hα-helixtrans-91.63.2-174.9-57.20000113.7H24 T26 Y84 F104 K110 V149H24-V108 HydrophobicContact CB-CB 4.17Å; H24-V108 HydrophobicContact CB-CG1 4.2Å; T26-V108 WeakPolarHBondContact CG2-O 3.16Å; Y84-V108 HydrophobicContact CE2-CG1 4.46Å; F104-V108 HydrophobicContact CD2-CG1 4.24Å; F104-V108 HydrophobicContact CD2-CG2 4.23Å; F104-V108 HydrophobicContact CE1-CG2 4.3Å; F104-V108 HydrophobicContact CE2-CB 4.37Å; F104-V108 HydrophobicContact CE2-CG1 3.81Å; F104-V108 HydrophobicContact CE2-CG2 3.64Å; F104-V108 HydrophobicContact CZ-CG2 3.67Å; F104-V108 PolarHBondContact O-N 3.08Å; F104-V108 VanDerWaalsContact O-N 3.15Å; V108-K110 PolarHBondContact O-N 2.66Å; V108-V149 HydrophobicContact CG2-CG1 3.97Å
109W98.6Very high97.2Very high5 Ų527.3 Ų27.32%0.01915%0.151CC..  trans-57.5112.9-177-163.5-99.7000112.3R21 T105 G111 S112 G137 I139 H144 F145 N148 V149R21-W109 PolarHBondContact NH1-O 3.4Å; R21-W109 PolarHBondContact NH2-O 3.09Å; R21-W109 VanDerWaalsContact NH2-O 3.1Å; T105-W109 WeakPolarHBondContact O-CB 3.41Å; T105-W109 PolarHBondContact O-N 2.62Å; T105-W109 VanDerWaalsContact O-N 3.11Å; W109-G111 VanDerWaalsContact C-N 3.26Å; W109-G111 PolarHBondContact O-N 3.22Å; W109-S112 PolarHBondContact O-N 2.81Å; W109-S112 VanDerWaalsContact O-N 3.11Å; W109-G137 VanDerWaalsContact CD1-CA 3.46Å; W109-G137 VanDerWaalsContact CD2-CA 3.47Å; W109-G137 VanDerWaalsContact CG-CA 3.46Å; W109-I139 HydrophobicContact CH2-CB 4.43Å; W109-I139 HydrophobicContact CZ2-CB 4.16Å; W109-I139 HydrophobicContact CZ2-CD1 4.48Å; W109-I139 HydrophobicContact CZ2-CG1 4.4Å; W109-H144 HydrophobicContact CH2-CB 3.91Å; W109-H144 HydrophobicContact CZ2-CB 4.11Å; W109-F145 HydrophobicContact CH2-CD2 4.28Å; W109-F145 HydrophobicContact CH2-CE2 4.4Å; W109-F145 HydrophobicContact CH2-CG 4.46Å; W109-F145 HydrophobicContact CZ3-CD1 4.02Å; W109-F145 HydrophobicContact CZ3-CD2 4.3Å; W109-F145 HydrophobicContact CZ3-CE1 4.09Å; W109-F145 HydrophobicContact CZ3-CE2 4.34Å; W109-F145 HydrophobicContact CZ3-CG 4.14Å; W109-F145 HydrophobicContact CZ3-CZ 4.24Å; W109-N148 HydrophobicContact CD2-CB 3.37Å; W109-N148 HydrophobicContact CE3-CB 3.61Å; W109-N148 HydrophobicContact CG-CB 3.95Å; W109-N148 HydrophobicContact CH2-CB 3.92Å; W109-N148 HydrophobicContact CZ2-CB 3.69Å; W109-N148 HydrophobicContact CZ3-CB 3.88Å; W109-N148 PolarHBondContact NE1-OD1 3.02Å; W109-V149 HydrophobicContact CE3-CG2 3.81Å; W109-V149 HydrophobicContact CZ3-CG2 3.94Å
110K98.3Very high97.6Very high91 Ų9122.4 Ų22.440%0.39612%0.117SC..THydrogen-bonded Turntrans-56.3-36.9-176.2-171.8-178.9178.3179.40113.6T26 V108 S112 K113 N147 N148T26-K110 HydrophobicContact CG2-CB 3.85Å; T26-K110 HydrophobicContact CG2-CG 4.24Å; V108-K110 PolarHBondContact O-N 2.66Å; K110-S112 VanDerWaalsContact C-N 3.34Å; K110-S112 PolarHBondContact O-N 2.84Å; K110-K113 PolarHBondContact O-NZ 3.27Å; K110-K113 VanDerWaalsContact O-NZ 3.08Å; K110-N147 WeakPolarHBondContact CD-O 3.49Å; K110-N148 HydrophobicContact CB-CB 4.28Å; K110-N148 PolarHBondContact N-O 2.86Å
111G97.6Very high97.8Very high26 Ų2625 Ų2527%0.26813%0.133SC..THydrogen-bonded Turntrans-68.2-28.4179.800000114.2W109 K113 N148W109-G111 VanDerWaalsContact C-N 3.26Å; W109-G111 PolarHBondContact O-N 3.22Å; G111-K113 VanDerWaalsContact O-CE 3.29Å; G111-K113 WeakPolarHBondContact O-CE 3.36Å; G111-K113 WeakPolarHBondContact O-CG 3.29Å; G111-N148 PolarHBondContact N-OD1 3.09Å
112S98.4Very high97.7Very high1 Ų125.3 Ų25.31%0.00714%0.135CC..  trans-72.6137.8-177.7-60.80000110.6R21 L29 W109 K110 P135R21-S112 PolarHBondContact NH2-O 2.89Å; R21-S112 VanDerWaalsContact NH2-O 3.16Å; L29-S112 VanDerWaalsContact CD2-C 3.47Å; L29-S112 VanDerWaalsContact CD2-O 3.27Å; L29-S112 WeakPolarHBondContact CD2-O 3.44Å; W109-S112 PolarHBondContact O-N 2.81Å; W109-S112 VanDerWaalsContact O-N 3.11Å; K110-S112 VanDerWaalsContact C-N 3.34Å; K110-S112 PolarHBondContact O-N 2.84Å; S112-P135 PolarHBondContact OG-O 2.87Å
113K98.3Very high97.6Very high101 Ų10131 Ų3144%0.43917%0.17SC..  trans-121.6-30.1-172.3-55.3-55.8176.5-160.30113.3L29 K30 K110 G111 F134L29-K113 WeakPolarHBondContact CA-O 3.4Å; K30-K113 PolarHBondContact N-O 3.36Å; K110-K113 PolarHBondContact O-NZ 3.27Å; K110-K113 VanDerWaalsContact O-NZ 3.08Å; G111-K113 VanDerWaalsContact O-CE 3.29Å; G111-K113 WeakPolarHBondContact O-CE 3.36Å; G111-K113 WeakPolarHBondContact O-CG 3.29Å; K113-F134 PolarHBondContact N-O 3.38Å
114K98.4Very high97.4Very high100 Ų10033.3 Ų33.344%0.43518%0.184SC..EExtended strand (participates in β ladder)trans-122.9144.1-176.9-61.7-179.4-178.6177.20110.7K30 L35 Y133 F134K30-K114 CarbonylContact O-C 3.51Å; K30-K114 VanDerWaalsContact O-CA 3.24Å; K30-K114 WeakPolarHBondContact O-CA 3.32Å; L35-K114 HydrophobicContact CD1-CB 3.84Å; K114-Y133 WeakPolarHBondContact O-CA 3.09Å; K114-F134 HydrophobicContact CB-CB 4.35Å; K114-F134 PolarHBondContact N-O 3.35Å; K114-F134 PolarHBondContact O-N 2.91Å
115L98.6Very high97.2Very high0 Ų035.3 Ų35.30%020%0.204CC..EExtended strand (participates in β ladder)trans-118.4136.2172.7178.162.2000108.7V13 L14 L29 K30 L31 S32 A131 R132 Y133V13-L115 HydrophobicContact CG1-CD2 4.12Å; L14-L115 HydrophobicContact CB-CD2 4.44Å; L14-L115 HydrophobicContact CD1-CB 4.41Å; L14-L115 HydrophobicContact CD1-CD2 4.03Å; L29-L115 HydrophobicContact CB-CB 4.15Å; L29-L115 HydrophobicContact CD1-CB 4.05Å; K30-L115 PolarHBondContact O-N 3.31Å; L31-L115 CarbonylContact C-O 3.37Å; L31-L115 VanDerWaalsContact CA-O 3.29Å; L31-L115 WeakPolarHBondContact CA-O 3.42Å; S32-L115 PolarHBondContact N-O 2.84Å; L115-A131 HydrophobicContact CD1-CB 4.06Å; L115-R132 CarbonylContact C-O 3.48Å; L115-R132 WeakPolarHBondContact CA-O 3.22Å; L115-Y133 HydrophobicContact CD1-CD1 3.88Å; L115-Y133 HydrophobicContact CD1-CE1 3.58Å
116G97.8Very high97.1Very high0 Ų035.3 Ų35.30%021%0.205CC..EExtended strand (participates in β ladder)trans-120.7145.2157.200000109.1L35 S36 A131 R132L35-G116 VanDerWaalsContact CB-CA 3.49Å; S36-G116 WeakPolarHBondContact OG-CA 3.26Å; G116-A131 CarbonylContact O-C 3.53Å; G116-A131 VanDerWaalsContact O-CA 3.29Å; G116-A131 WeakPolarHBondContact O-CA 3.15Å; G116-R132 PolarHBondContact N-O 2.92Å; G116-R132 PolarHBondContact O-N 3.03Å
117V98.1Very high97Very high0 Ų035.2 Ų35.20%020%0.204CC..EExtended strand (participates in β ladder)trans-141144175.9700000110F9 V13 S36 V129 V130 A131F9-V117 HydrophobicContact CD1-CG1 4.39Å; F9-V117 HydrophobicContact CE1-CG1 4.26Å; F9-V117 HydrophobicContact CE1-CG2 3.77Å; F9-V117 HydrophobicContact CZ-CG2 4.42Å; V13-V117 HydrophobicContact CB-CG1 4.19Å; V13-V117 HydrophobicContact CG1-CB 4.34Å; V13-V117 HydrophobicContact CG1-CG1 4.28Å; V13-V117 HydrophobicContact CG1-CG2 4.15Å; V13-V117 HydrophobicContact CG2-CG1 4.37Å; V13-V117 HydrophobicContact CG2-CG2 4.28Å; S36-V117 WeakPolarHBondContact CB-O 3.33Å; S36-V117 PolarHBondContact OG-N 3.48Å; S36-V117 VanDerWaalsContact OG-N 3.13Å; S36-V117 PolarHBondContact OG-O 2.86Å; V117-V129 HydrophobicContact CG2-CG1 3.89Å; V117-V130 CarbonylContact C-O 3.47Å; V117-V130 VanDerWaalsContact CA-O 3.28Å; V117-V130 WeakPolarHBondContact CA-O 3.42Å; V117-V130 VanDerWaalsContact CG2-O 3.32Å; V117-V130 WeakPolarHBondContact CG2-O 3.46Å; V117-A131 HydrophobicContact CG2-CB 4.35Å
118G97.1Very high97Very high1 Ų135.3 Ų35.31%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-141.2148.6175.700000110.7T40 V129 V130T40-G118 WeakPolarHBondContact OG1-CA 3.27Å; G118-V129 WeakPolarHBondContact O-CA 3.44Å; G118-V130 PolarHBondContact N-O 2.91Å; G118-V130 PolarHBondContact O-N 2.64Å
119K97.3Very high97Very high51 Ų5135.3 Ų35.322%0.22220%0.204CC..EExtended strand (participates in β ladder)trans-131.6139.5176.5178.9172.664.5164.50109F9 D73 Q74 F128 V129F9-K119 HydrophobicContact CD1-CB 4.2Å; F9-K119 HydrophobicContact CD2-CD 4.3Å; F9-K119 HydrophobicContact CE1-CB 3.72Å; F9-K119 HydrophobicContact CE2-CB 4.43Å; F9-K119 HydrophobicContact CE2-CD 3.87Å; F9-K119 HydrophobicContact CZ-CB 3.87Å; F9-K119 HydrophobicContact CZ-CD 4.08Å; F9-K119 HydrophobicContact CZ-CG 4.47Å; D73-K119 WeakPolarHBondContact OD1-CD 3.49Å; D73-K119 VanDerWaalsContact OD1-CE 3.27Å; D73-K119 WeakPolarHBondContact OD1-CE 3.37Å; D73-K119 IonicContact OD1-NZ 2.66Å; D73-K119 PolarHBondContact OD1-NZ 2.85Å; D73-K119 IonicContact OD2-NZ 3.89Å; D73-K119 PolarHBondContact OD2-NZ 3.26Å; Q74-K119 PolarHBondContact O-NZ 3.43Å; K119-F128 CarbonylContact C-O 3.53Å; K119-F128 VanDerWaalsContact CA-O 3.29Å; K119-F128 WeakPolarHBondContact CA-O 3.48Å; K119-V129 HydrophobicContact CB-CG2 4.05Å; K119-V129 HydrophobicContact CD-CG2 4.01Å; K119-V129 HydrophobicContact CG-CG2 3.83Å
120A96.8Very high96.9Very high13 Ų1335.1 Ų35.111%0.10720%0.203CC..EExtended strand (participates in β ladder)trans-134.3141.1170.400000110.1A43 E44 A47 S127 F128A43-A120 VanDerWaalsContact C-CB 3.47Å; A43-A120 HydrophobicContact CB-CB 3.93Å; E44-A120 HydrophobicContact CB-CB 4.39Å; E44-A120 HydrophobicContact CG-CB 3.92Å; A47-A120 HydrophobicContact CB-CB 3.89Å; A120-S127 WeakPolarHBondContact O-CA 3.27Å; A120-F128 PolarHBondContact N-O 3.15Å; A120-F128 PolarHBondContact O-N 3.19Å
121S95.9Very high96.9Very high76 Ų7630.8 Ų30.853%0.53118%0.184SC..EExtended strand (participates in β ladder)trans-97.7143.3173.7-530000109.6S126S121-S126 CarbonylContact C-O 3.58Å; S121-S126 VanDerWaalsContact CA-O 3.3Å; S121-S126 WeakPolarHBondContact CA-O 3.18Å
122A95Very high97Very high7 Ų729.9 Ų29.96%0.05817%0.173CC..  trans-99.7161.4175.800000111.3A47 D124 G125 S126 F128A47-A122 HydrophobicContact CB-CB 4.02Å; A47-A122 WeakPolarHBondContact O-CB 3.3Å; A122-D124 PolarHBondContact O-N 3.13Å; A122-G125 PolarHBondContact O-N 2.67Å; A122-S126 PolarHBondContact N-O 3.12Å; A122-F128 HydrophobicContact CB-CE2 4.1Å
123P94Very high96.9Very high130 Ų13029.9 Ų29.984%0.84417%0.173SC*.THydrogen-bonded Turntrans-54.9-19.2-177.6-31.432.8000117.1R50 G125R50-P123 VanDerWaalsContact NH2-CD 3.29Å; P123-G125 VanDerWaalsContact C-N 3.3Å
124D93.4Very high96.9Very high95 Ų9529 Ų2951%0.50817%0.169SC..THydrogen-bonded Turntrans-89.36.6177.868.5-18.1000113.3R50 A122 S126R50-D124 IonicContact CZ-OD1 2.84Å; R50-D124 IonicContact CZ-OD2 3.43Å; R50-D124 IonicContact NH1-OD1 3.25Å; R50-D124 PolarHBondContact NH1-OD1 2.89Å; R50-D124 IonicContact NH1-OD2 3.22Å; R50-D124 PolarHBondContact NH1-OD2 2.84Å; R50-D124 VanDerWaalsContact NH2-N 3.19Å; R50-D124 IonicContact NH2-OD1 3.57Å; R50-D124 PolarHBondContact NH2-OD1 2.92Å; R50-D124 IonicContact NH2-OD2 3.27Å; A122-D124 PolarHBondContact O-N 3.13Å; D124-S126 VanDerWaalsContact C-N 3.29Å; D124-S126 PolarHBondContact O-N 3.32Å; D124-S126 VanDerWaalsContact OD1-CB 3.27Å; D124-S126 WeakPolarHBondContact OD1-CB 3.38Å; D124-S126 PolarHBondContact OD1-N 3.43Å; D124-S126 PolarHBondContact OD1-OG 3.46Å; D124-S126 PolarHBondContact OD2-OG 3.46Å
125G93.6Very high96.8Very high41 Ų4126.9 Ų26.942%0.42317%0.166SC..SBendtrans84.4-5.4-177.400000114.6A122 P123A122-G125 PolarHBondContact O-N 2.67Å; P123-G125 VanDerWaalsContact C-N 3.3Å
126S96.2Very high96.7Very high1 Ų128.2 Ų28.21%0.00718%0.177CC..  trans-68.8153.9174.268.30000111.8A70 S121 A122 D124A70-S126 CarbonylContact O-C 3.14Å; A70-S126 VanDerWaalsContact O-CA 3.23Å; A70-S126 WeakPolarHBondContact O-CA 3.33Å; A70-S126 VanDerWaalsContact O-CB 3.27Å; A70-S126 WeakPolarHBondContact O-CB 3.42Å; S121-S126 CarbonylContact C-O 3.58Å; S121-S126 VanDerWaalsContact CA-O 3.3Å; S121-S126 WeakPolarHBondContact CA-O 3.18Å; A122-S126 PolarHBondContact N-O 3.12Å; D124-S126 VanDerWaalsContact C-N 3.29Å; D124-S126 PolarHBondContact O-N 3.32Å; D124-S126 VanDerWaalsContact OD1-CB 3.27Å; D124-S126 WeakPolarHBondContact OD1-CB 3.38Å; D124-S126 PolarHBondContact OD1-N 3.43Å; D124-S126 PolarHBondContact OD1-OG 3.46Å; D124-S126 PolarHBondContact OD2-OG 3.46Å
127S97.1Very high96.5Very high0 Ų028.8 Ų28.80%018%0.183CC..EExtended strand (participates in β ladder)trans-124.3142176.468.10000112.3W69 A70 Y72 Q74 A120W69-S127 WeakPolarHBondContact CA-O 3.28Å; A70-S127 PolarHBondContact N-O 3.08Å; A70-S127 VanDerWaalsContact N-O 3.14Å; A70-S127 PolarHBondContact O-N 3.33Å; Y72-S127 WeakPolarHBondContact O-CB 3.47Å; Y72-S127 PolarHBondContact O-OG 3.11Å; Q74-S127 WeakPolarHBondContact CG-OG 3.38Å; Q74-S127 PolarHBondContact N-OG 2.64Å; Q74-S127 PolarHBondContact NE2-O 3.1Å; Q74-S127 PolarHBondContact NE2-OG 2.98Å; A120-S127 WeakPolarHBondContact O-CA 3.27Å
128F98Very high96.4Very high3 Ų330.7 Ų30.71%0.01319%0.193CC..EExtended strand (participates in β ladder)trans-116.6130.2177-66.5-99.5000108.6L46 A47 L52 A68 W69 K119 A120 A122L46-F128 HydrophobicContact CB-CB 4.04Å; L46-F128 HydrophobicContact CB-CD1 3.58Å; L46-F128 HydrophobicContact CB-CE1 4.23Å; L46-F128 HydrophobicContact CB-CG 3.92Å; A47-F128 HydrophobicContact CB-CD2 3.81Å; A47-F128 HydrophobicContact CB-CE2 4.36Å; A47-F128 HydrophobicContact CB-CG 4.48Å; L52-F128 HydrophobicContact CD1-CD1 4.02Å; L52-F128 HydrophobicContact CD1-CE1 4.41Å; A68-F128 WeakPolarHBondContact O-CA 3.39Å; W69-F128 AromaticContact CD1-CD1 3.69Å; W69-F128 AromaticContact CD1-CD2 3.98Å; W69-F128 AromaticContact CD1-CE1 3.3Å; W69-F128 AromaticContact CD1-CE2 3.59Å; W69-F128 AromaticContact CD1-CZ 3.24Å; W69-F128 HydrophobicContact CG-CD1 4.47Å; W69-F128 HydrophobicContact CG-CE1 4.18Å; W69-F128 HydrophobicContact CG-CZ 4.4Å; W69-F128 AromaticContact NE1-CE1 3.98Å; W69-F128 AromaticContact NE1-CE2 3.73Å; W69-F128 AromaticContact NE1-CZ 3.45Å; K119-F128 CarbonylContact C-O 3.53Å; K119-F128 VanDerWaalsContact CA-O 3.29Å; K119-F128 WeakPolarHBondContact CA-O 3.48Å; A120-F128 PolarHBondContact N-O 3.15Å; A120-F128 PolarHBondContact O-N 3.19Å; A122-F128 HydrophobicContact CB-CE2 4.1Å
129V98.2Very high96.2Very high0 Ų033.7 Ų33.70%021%0.208CC..EExtended strand (participates in β ladder)trans-122.3136.4179.5-1790000109.4F9 L67 A68 V79 W83 V117 G118 K119F9-V129 HydrophobicContact CE1-CG1 4.18Å; F9-V129 HydrophobicContact CZ-CB 4.48Å; F9-V129 HydrophobicContact CZ-CG1 3.74Å; F9-V129 HydrophobicContact CZ-CG2 3.85Å; L67-V129 CarbonylContact C-O 3.59Å; L67-V129 WeakPolarHBondContact CA-O 3.4Å; A68-V129 HydrophobicContact CB-CB 4.24Å; A68-V129 PolarHBondContact N-O 3.34Å; A68-V129 PolarHBondContact O-N 3.04Å; V79-V129 HydrophobicContact CG1-CB 4.45Å; V79-V129 HydrophobicContact CG1-CG1 4.06Å; V79-V129 HydrophobicContact CG2-CG2 4.08Å; W83-V129 HydrophobicContact CH2-CG1 4.13Å; V117-V129 HydrophobicContact CG2-CG1 3.89Å; G118-V129 WeakPolarHBondContact O-CA 3.44Å; K119-V129 HydrophobicContact CB-CG2 4.05Å; K119-V129 HydrophobicContact CD-CG2 4.01Å; K119-V129 HydrophobicContact CG-CG2 3.83Å
130V98Very high95.8Very high0 Ų036.1 Ų36.10%023%0.227CC..EExtended strand (participates in β ladder)trans-124.1128.8175.9-178.50000107.8A39 Y42 A43 L46 E65 L67 V117 G118 R132A39-V130 HydrophobicContact CB-CB 4.11Å; A39-V130 HydrophobicContact CB-CG1 4Å; A39-V130 WeakPolarHBondContact CB-O 3.45Å; Y42-V130 HydrophobicContact CD1-CG1 4.1Å; Y42-V130 HydrophobicContact CD1-CG2 3.81Å; Y42-V130 HydrophobicContact CG-CG2 4.49Å; A43-V130 HydrophobicContact CB-CB 4.5Å; A43-V130 HydrophobicContact CB-CG2 3.84Å; L46-V130 HydrophobicContact CD1-CG2 3.69Å; E65-V130 HydrophobicContact CG-CG1 4.19Å; L67-V130 HydrophobicContact CD2-CB 4.19Å; L67-V130 HydrophobicContact CD2-CG1 4.05Å; L67-V130 HydrophobicContact CD2-CG2 3.7Å; V117-V130 CarbonylContact C-O 3.47Å; V117-V130 VanDerWaalsContact CA-O 3.28Å; V117-V130 WeakPolarHBondContact CA-O 3.42Å; V117-V130 VanDerWaalsContact CG2-O 3.32Å; V117-V130 WeakPolarHBondContact CG2-O 3.46Å; G118-V130 PolarHBondContact N-O 2.91Å; G118-V130 PolarHBondContact O-N 2.64Å; V130-R132 HydrophobicContact CG1-CG 4.41Å
131A98.1Very high95.5Very high0 Ų040.6 Ų40.60%025%0.249CC..EExtended strand (participates in β ladder)trans-111.8142.8165.400000110.3E65 N66 W83 L115 G116 V117 Y133E65-A131 VanDerWaalsContact CA-O 3.24Å; E65-A131 WeakPolarHBondContact CA-O 3.28Å; N66-A131 HydrophobicContact CB-CB 4.33Å; N66-A131 PolarHBondContact N-O 2.97Å; N66-A131 PolarHBondContact O-N 3.37Å; W83-A131 HydrophobicContact CH2-CB 3.48Å; W83-A131 VanDerWaalsContact CH2-CB 3.48Å; W83-A131 HydrophobicContact CZ3-CB 3.62Å; L115-A131 HydrophobicContact CD1-CB 4.06Å; G116-A131 CarbonylContact O-C 3.53Å; G116-A131 VanDerWaalsContact O-CA 3.29Å; G116-A131 WeakPolarHBondContact O-CA 3.15Å; V117-A131 HydrophobicContact CG2-CB 4.35Å; A131-Y133 HydrophobicContact CB-CE2 4.13Å
132R97.9Very high95Very high8 Ų846.4 Ų46.43%0.0327%0.268CS..EExtended strand (participates in β ladder)trans-122.9129.6176.7-67.2-64.2-17688-3110.3L35 A39 S55 G64 E65 L115 G116 V130L35-R132 HydrophobicContact CB-CB 4.33Å; A39-R132 HydrophobicContact CB-CG 4.1Å; S55-R132 PolarHBondContact OG-NH2 3.25Å; G64-R132 VanDerWaalsContact O-CA 3.3Å; G64-R132 WeakPolarHBondContact O-CA 3.27Å; G64-R132 WeakPolarHBondContact O-CD 2.89Å; E65-R132 IonicContact OE2-CZ 3.74Å; E65-R132 VanDerWaalsContact OE2-CZ 3.25Å; E65-R132 IonicContact OE2-NE 3.88Å; E65-R132 PolarHBondContact OE2-NE 2.77Å; E65-R132 IonicContact OE2-NH2 3.43Å; E65-R132 PolarHBondContact OE2-NH2 3.44Å; L115-R132 CarbonylContact C-O 3.48Å; L115-R132 WeakPolarHBondContact CA-O 3.22Å; G116-R132 PolarHBondContact N-O 2.92Å; G116-R132 PolarHBondContact O-N 3.03Å; V130-R132 HydrophobicContact CG1-CG 4.41Å
133Y98.1Very high94.7Very high1 Ų147.2 Ų47.20%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-114.4132.6-178.6-54.1-85.9000110.6H17 L29 C63 G64 N66 A106 K114 L115 A131H17-Y133 AromaticContact CD2-CE1 3.87Å; H17-Y133 AromaticContact NE2-CE1 3.85Å; H17-Y133 AromaticContact NE2-CZ 3.89Å; H17-Y133 PolarHBondContact NE2-OH 2.94Å; L29-Y133 HydrophobicContact CD1-CD1 4.12Å; L29-Y133 HydrophobicContact CD1-CE1 4.22Å; C63-Y133 CarbonylContact C-O 3.52Å; C63-Y133 WeakPolarHBondContact CA-O 3.44Å; G64-Y133 PolarHBondContact N-O 2.82Å; G64-Y133 PolarHBondContact O-N 3.1Å; N66-Y133 HydrophobicContact CB-CE2 4.11Å; N66-Y133 PolarHBondContact ND2-OH 2.99Å; A106-Y133 HydrophobicContact CB-CD2 4.13Å; A106-Y133 HydrophobicContact CB-CE2 3.87Å; K114-Y133 WeakPolarHBondContact O-CA 3.09Å; L115-Y133 HydrophobicContact CD1-CD1 3.88Å; L115-Y133 HydrophobicContact CD1-CE1 3.58Å; A131-Y133 HydrophobicContact CB-CE2 4.13Å
134F96.9Very high94.8Very high82 Ų8244.2 Ų44.236%0.3625%0.251SS..EExtended strand (participates in β ladder)trans-132.5132.4176.8-175.4-89.4000112.6L35 K113 K114L35-F134 HydrophobicContact CD1-CB 3.85Å; K113-F134 PolarHBondContact N-O 3.38Å; K114-F134 HydrophobicContact CB-CB 4.35Å; K114-F134 PolarHBondContact N-O 3.35Å; K114-F134 PolarHBondContact O-N 2.91Å
135P96.8Very high94.9Very high56 Ų5640 Ų4036%0.36423%0.229SC..SBendcis-58.2159.9-14-23.735.3000112.7S112S112-P135 PolarHBondContact OG-O 2.87Å
136A95.4Very high95Very high28 Ų2842.4 Ų42.423%0.23123%0.232CC..  trans-56.1140.2176.100000112S62S62-A136 WeakPolarHBondContact O-CB 3.43Å; S62-A136 PolarHBondContact O-N 3.44Å
137G95Very high95Very high12 Ų1247.4 Ų47.412%0.12426%0.259CS..  trans-93.6-164.7167.300000112.2W109 I139W109-G137 VanDerWaalsContact CD1-CA 3.46Å; W109-G137 VanDerWaalsContact CD2-CA 3.47Å; W109-G137 VanDerWaalsContact CG-CA 3.46Å; G137-I139 PolarHBondContact O-N 2.95Å
138N94.9Very high95Very high39 Ų3948.5 Ų48.521%0.20926%0.264CS..  trans5533175.9-61.4-8.4000114F97 G102 T105 A106 T140 F145F97-N138 HydrophobicContact CD2-CB 4.49Å; G102-N138 PolarHBondContact O-ND2 3.43Å; T105-N138 VanDerWaalsContact CB-OD1 3.28Å; T105-N138 WeakPolarHBondContact CB-OD1 3.3Å; T105-N138 PolarHBondContact OG1-OD1 2.85Å; A106-N138 PolarHBondContact N-OD1 3.46Å; N138-T140 PolarHBondContact O-N 2.95Å; N138-F145 HydrophobicContact CB-CZ 4.21Å
139I92.8Very high95Very high65 Ų6548.6 Ų48.633%0.33327%0.265SS..  trans-70.4119.7173.5-61.2165.7000107.6W109 G137 N141 H144 F145W109-I139 HydrophobicContact CH2-CB 4.43Å; W109-I139 HydrophobicContact CZ2-CB 4.16Å; W109-I139 HydrophobicContact CZ2-CD1 4.48Å; W109-I139 HydrophobicContact CZ2-CG1 4.4Å; G137-I139 PolarHBondContact O-N 2.95Å; I139-N141 VanDerWaalsContact C-N 3.3Å; I139-N141 HydrophobicContact CG2-CB 4.11Å; I139-N141 PolarHBondContact O-N 3.25Å; I139-H144 HydrophobicContact CB-CB 4.2Å; I139-H144 HydrophobicContact CG2-CB 4.36Å; I139-H144 VanDerWaalsContact O-CB 3.26Å; I139-H144 WeakPolarHBondContact O-CB 3.4Å; I139-F145 WeakPolarHBondContact O-CD2 3.34Å; I139-F145 VanDerWaalsContact O-CE2 3.3Å; I139-F145 WeakPolarHBondContact O-CE2 3.47Å
140T90.6Very high95Very high102 Ų10250.3 Ų50.363%0.62627%0.274SS*.  trans-84.60.5-172.453.30000114.4F97 N138 F145F97-T140 HydrophobicContact CB-CG2 3.92Å; F97-T140 HydrophobicContact CG-CG2 4.46Å; N138-T140 PolarHBondContact O-N 2.95Å; T140-F145 HydrophobicContact CG2-CE2 4.35Å
141N89.5Confident94.9Very high107 Ų10753.6 Ų53.657%0.57230%0.296SS*.SBendtrans-63.4149.6173.9-69.37000110.6I139 G143 H144I139-N141 VanDerWaalsContact C-N 3.3Å; I139-N141 HydrophobicContact CG2-CB 4.11Å; I139-N141 PolarHBondContact O-N 3.25Å; N141-G143 PolarHBondContact O-N 3.09Å; N141-H144 VanDerWaalsContact CB-CD2 3.49Å; N141-H144 WeakPolarHBondContact CB-CD2 3.24Å; N141-H144 WeakPolarHBondContact O-CB 3.49Å; N141-H144 PolarHBondContact O-CD2 3.25Å; N141-H144 PolarHBondContact O-N 3.13Å
142Q85.9Confident94.8Very high198 Ų19856 Ų5693%0.92531%0.311SS*.THydrogen-bonded Turntrans-53.6134.3-175.5-172173.8-5.500112.1H144Q142-H144 VanDerWaalsContact C-N 3.26Å; Q142-H144 PolarHBondContact O-N 3.18Å
143G89Confident94.4Very high24 Ų2461.9 Ų61.925%0.24734%0.337CS..THydrogen-bonded Turntrans77.9-5.7177.100000115.7N141 N147N141-G143 PolarHBondContact O-N 3.09Å; G143-N147 WeakPolarHBondContact O-CB 3.45Å; G143-N147 PolarHBondContact O-N 3.26Å; G143-N147 PolarHBondContact O-ND2 3.47Å
144H95.3Very high92.6Very high66 Ų6673 Ų7331%0.30640%0.396SS..Hα-helixtrans-69.7-41178.6-82-98.4000112.4W109 I139 N141 Q142 N147 N148W109-H144 HydrophobicContact CH2-CB 3.91Å; W109-H144 HydrophobicContact CZ2-CB 4.11Å; I139-H144 HydrophobicContact CB-CB 4.2Å; I139-H144 HydrophobicContact CG2-CB 4.36Å; I139-H144 VanDerWaalsContact O-CB 3.26Å; I139-H144 WeakPolarHBondContact O-CB 3.4Å; N141-H144 VanDerWaalsContact CB-CD2 3.49Å; N141-H144 WeakPolarHBondContact CB-CD2 3.24Å; N141-H144 WeakPolarHBondContact O-CB 3.49Å; N141-H144 PolarHBondContact O-CD2 3.25Å; N141-H144 PolarHBondContact O-N 3.13Å; Q142-H144 VanDerWaalsContact C-N 3.26Å; Q142-H144 PolarHBondContact O-N 3.18Å; H144-N147 PolarHBondContact O-N 2.68Å; H144-N148 VanDerWaalsContact O-CB 3.31Å; H144-N148 WeakPolarHBondContact O-CB 3.5Å; H144-N148 PolarHBondContact O-N 3.31Å; H144-N148 VanDerWaalsContact O-N 3.15Å; H144-N148 PolarHBondContact O-ND2 3.17Å
145F96.4Very high92.4Very high7 Ų772.5 Ų72.53%0.03140%0.398CS..Hα-helixtrans-65.9-46178.6-83-97.1000111.5Y90 P95 G96 F97 T105 W109 N138 I139 T140 N147 N148 V149Y90-F145 HydrophobicContact CE2-CD1 4.48Å; Y90-F145 WeakPolarHBondContact OH-CD1 3.37Å; P95-F145 HydrophobicContact CB-CB 3.96Å; G96-F145 WeakPolarHBondContact O-CD1 3.41Å; G96-F145 WeakPolarHBondContact O-CE1 3.36Å; F97-F145 HydrophobicContact CB-CE1 4.44Å; F97-F145 HydrophobicContact CB-CE2 4.09Å; F97-F145 HydrophobicContact CB-CZ 3.66Å; F97-F145 HydrophobicContact CD2-CZ 4.3Å; F97-F145 HydrophobicContact CG-CZ 4.5Å; T105-F145 HydrophobicContact CG2-CD1 4.24Å; T105-F145 HydrophobicContact CG2-CE1 3.92Å; W109-F145 HydrophobicContact CH2-CD2 4.28Å; W109-F145 HydrophobicContact CH2-CE2 4.4Å; W109-F145 HydrophobicContact CH2-CG 4.46Å; W109-F145 HydrophobicContact CZ3-CD1 4.02Å; W109-F145 HydrophobicContact CZ3-CD2 4.3Å; W109-F145 HydrophobicContact CZ3-CE1 4.09Å; W109-F145 HydrophobicContact CZ3-CE2 4.34Å; W109-F145 HydrophobicContact CZ3-CG 4.14Å; W109-F145 HydrophobicContact CZ3-CZ 4.24Å; N138-F145 HydrophobicContact CB-CZ 4.21Å; I139-F145 WeakPolarHBondContact O-CD2 3.34Å; I139-F145 VanDerWaalsContact O-CE2 3.3Å; I139-F145 WeakPolarHBondContact O-CE2 3.47Å; T140-F145 HydrophobicContact CG2-CE2 4.35Å; F145-N147 PolarHBondContact O-N 2.94Å; F145-N148 PolarHBondContact O-N 3.36Å; F145-N148 VanDerWaalsContact O-N 3.1Å; F145-V149 HydrophobicContact CD1-CG2 3.94Å; F145-V149 PolarHBondContact O-N 3.11Å
146D94.5Very high92.2Very high91 Ų9173.4 Ų73.449%0.48740%0.4SS..Hα-helixtrans-53-42.8176.2-54.6-106.8000112.3P95P95-D146 HydrophobicContact CG-CB 4.44Å; P95-D146 VanDerWaalsContact CG-CG 3.4Å; P95-D146 WeakPolarHBondContact CG-OD1 3.29Å
147N96.1Very high92Very high107 Ų10775.9 Ų75.957%0.57241%0.409SS*.Hα-helixtrans-80.7-17.7-176.6-74.1-50.1000114.2K110 G143 H144 F145K110-N147 WeakPolarHBondContact CD-O 3.49Å; G143-N147 WeakPolarHBondContact O-CB 3.45Å; G143-N147 PolarHBondContact O-N 3.26Å; G143-N147 PolarHBondContact O-ND2 3.47Å; H144-N147 PolarHBondContact O-N 2.68Å; F145-N147 PolarHBondContact O-N 2.94Å
148N98Very high91.8Very high22 Ų2279.6 Ų79.612%0.11843%0.426CS..Hα-helixtrans-119.3-20.2-170.8-71.1-85.2000115.2W109 K110 G111 H144 F145W109-N148 HydrophobicContact CD2-CB 3.37Å; W109-N148 HydrophobicContact CE3-CB 3.61Å; W109-N148 HydrophobicContact CG-CB 3.95Å; W109-N148 HydrophobicContact CH2-CB 3.92Å; W109-N148 HydrophobicContact CZ2-CB 3.69Å; W109-N148 HydrophobicContact CZ3-CB 3.88Å; W109-N148 PolarHBondContact NE1-OD1 3.02Å; K110-N148 HydrophobicContact CB-CB 4.28Å; K110-N148 PolarHBondContact N-O 2.86Å; G111-N148 PolarHBondContact N-OD1 3.09Å; H144-N148 VanDerWaalsContact O-CB 3.31Å; H144-N148 WeakPolarHBondContact O-CB 3.5Å; H144-N148 PolarHBondContact O-N 3.31Å; H144-N148 VanDerWaalsContact O-N 3.15Å; H144-N148 PolarHBondContact O-ND2 3.17Å; F145-N148 PolarHBondContact O-N 3.36Å; F145-N148 VanDerWaalsContact O-N 3.1Å
149V97.9Very high91.6Very high6 Ų682.2 Ų82.24%0.03644%0.44CS..SBendtrans-116.883-179.2-173.70000108.2Y90 F92 F104 T105 V108 W109 F145Y90-V149 HydrophobicContact CD1-CG1 4.24Å; Y90-V149 HydrophobicContact CE1-CB 4.39Å; Y90-V149 HydrophobicContact CE1-CG1 3.61Å; Y90-V149 HydrophobicContact CE2-CG1 4.47Å; F92-V149 HydrophobicContact CE1-CG1 4.19Å; F104-V149 HydrophobicContact CE1-CG1 3.62Å; F104-V149 HydrophobicContact CZ-CG1 3.87Å; T105-V149 HydrophobicContact CG2-CG1 3.96Å; T105-V149 HydrophobicContact CG2-CG2 3.87Å; V108-V149 HydrophobicContact CG2-CG1 3.97Å; W109-V149 HydrophobicContact CE3-CG2 3.81Å; W109-V149 HydrophobicContact CZ3-CG2 3.94Å; F145-V149 HydrophobicContact CD1-CG2 3.94Å; F145-V149 PolarHBondContact O-N 3.11Å
150L97.5Very high91.6Very high35 Ų3583.3 Ų83.318%0.18345%0.447CS..PPolyproline II helixtrans-78.9149.6-177-52.9-178.1000110.4H24 Q25 T26 F92H24-L150 PolarHBondContact ND1-O 3.1Å; H24-L150 WeakPolarHBondContact O-CB 3.49Å; Q25-L150 HydrophobicContact CB-CD1 4.2Å; T26-L150 HydrophobicContact CG2-CD1 4.46Å; F92-L150 WeakPolarHBondContact CE1-O 3.39Å
151P97Very high91.6Very high70 Ų7082 Ų8246%0.45543%0.434SS..PPolyproline II helixtrans-61.2152.6171.427.3-34.9000110.8Q25 F92Q25-P151 PolarHBondContact OE1-O 3.17Å; F92-P151 HydrophobicContact CD1-CB 4.01Å; F92-P151 HydrophobicContact CE1-CB 4.4Å; F92-P151 HydrophobicContact CG-CB 4.17Å
152P95.6Very high91.8Very high49 Ų4980.1 Ų80.132%0.31842%0.423SS..PPolyproline II helixtrans-63.2142.4172.927.7-32.5000110.4K23K23-P152 HydrophobicContact CD-CB 4.18Å; K23-P152 HydrophobicContact CG-CB 3.85Å; K23-P152 CarbonylContact O-C 3.59Å; K23-P152 WeakPolarHBondContact O-CA 3.49Å
153K89.5Confident92.3Very high133 Ų13370.3 Ų70.358%0.57838%0.381SS*.PPolyproline II helixtrans-96.8140.8163.1-84.6-173.8177.6-177.50110.4K23 Q25K23-K153 PolarHBondContact O-N 3.12Å; Q25-K153 VanDerWaalsContact CD-CD 3.46Å; Q25-K153 HydrophobicContact CG-CD 3.72Å; Q25-K153 HydrophobicContact CG-CG 4.18Å
154D60.7Low92.6Very high233 Ų23374.5 Ų74.5100%1.24639%0.394SS*.  trans-68.90165.3-60.1-40.7000111.1

Retrieved 154 of 154 residues in 113.3 ms (Link to these results)

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