A0A087YJ37_POEFO Loading...

Golgi-associated plant pathogenesis-related protein 1

AlphaFold DB , UniProt , Accession A0A087YJ37, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 158 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
1M40.3Very low73.6Confident236 Ų23692.3 Ų92.3100%1.16351%0.506SS*.  0-5.20-72.2164.9171.500114.8
2G54Low75.3Confident61 Ų6188.7 Ų88.763%0.62948%0.483SS*.Hα-helixtrans-79.4-16.8-168.700000120
3K55.4Low76.9Confident197 Ų19781.8 Ų81.886%0.85745%0.446SS*.Hα-helixtrans-76.5-28.6-179.3-76.7-177.1179.3176.90113.7K7K3-K7 PolarHBondContact O-N 3.24Å
4S62.1Low78.4Confident89 Ų8978.1 Ų78.162%0.62243%0.425SS*.Hα-helixtrans-74.3-46.6-176.9-159.90000111.6K7 Q8S4-K7 PolarHBondContact O-N 3.39Å; S4-Q8 PolarHBondContact O-N 3.35Å
5A65.9Low79.7Confident36 Ų3680.7 Ų80.730%0.29843%0.433SS..Hα-helixtrans-64.8-41.517900000112.7K7 Q8 F9A5-K7 VanDerWaalsContact C-N 3.27Å; A5-K7 PolarHBondContact O-N 3.42Å; A5-Q8 PolarHBondContact O-N 3.35Å; A5-F9 WeakPolarHBondContact O-CB 3.38Å; A5-F9 PolarHBondContact O-N 3.24Å
6S78.9Confident80.8Confident75 Ų7576.3 Ų76.352%0.52441%0.41SS..Hα-helixtrans-63.8-32.8175.9172.30000112.9A10S6-A10 WeakPolarHBondContact O-CB 3.37Å; S6-A10 PolarHBondContact O-N 3.17Å
7K85Confident81.8Confident124 Ų12471.8 Ų71.854%0.53939%0.386SS..Hα-helixtrans-72-48.4176.2-178.2-177.3167.7-170.30110.8K3 S4 A5 F9 A10 E11K3-K7 PolarHBondContact O-N 3.24Å; S4-K7 PolarHBondContact O-N 3.39Å; A5-K7 VanDerWaalsContact C-N 3.27Å; A5-K7 PolarHBondContact O-N 3.42Å; K7-F9 PolarHBondContact O-N 3.4Å; K7-A10 PolarHBondContact O-N 3.38Å; K7-E11 WeakPolarHBondContact CE-OE1 3.44Å; K7-E11 IonicContact NZ-OE1 2.68Å; K7-E11 WeakPolarHBondContact O-CG 3.43Å; K7-E11 PolarHBondContact O-N 3.16Å
8Q89.4Confident82.8Confident89 Ų8969.8 Ų69.842%0.41638%0.376SS..Hα-helixtrans-57.9-49.3178.2179.9176.3-8.400111.6S4 A5 A10 E11 E12S4-Q8 PolarHBondContact O-N 3.35Å; A5-Q8 PolarHBondContact O-N 3.35Å; Q8-A10 VanDerWaalsContact C-N 3.28Å; Q8-A10 PolarHBondContact O-N 2.82Å; Q8-E11 PolarHBondContact O-N 3.15Å; Q8-E11 VanDerWaalsContact O-N 3.09Å; Q8-E12 HydrophobicContact CG-CG 4.49Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.26Å; Q8-E12 PolarHBondContact NE2-OE1 3.32Å; Q8-E12 WeakPolarHBondContact O-CG 3.44Å; Q8-E12 PolarHBondContact O-N 2.8Å
9F90.8Very high83.6Confident7 Ų770.9 Ų70.93%0.03138%0.378CS..Hα-helixtrans-53.8-45.1175.4175.6-99.3000112.2A5 K7 E11 E12 V13 V119 K121 V131A5-F9 WeakPolarHBondContact O-CB 3.38Å; A5-F9 PolarHBondContact O-N 3.24Å; K7-F9 PolarHBondContact O-N 3.4Å; F9-E11 PolarHBondContact O-N 3.11Å; F9-E12 PolarHBondContact O-N 3.05Å; F9-V13 HydrophobicContact CD1-CG2 4.42Å; F9-V13 HydrophobicContact CE1-CG2 4.07Å; F9-V13 HydrophobicContact CE2-CG2 4.18Å; F9-V13 HydrophobicContact CZ-CG2 3.93Å; F9-V13 VanDerWaalsContact O-CG2 3.23Å; F9-V13 WeakPolarHBondContact O-CG2 3.31Å; F9-V13 PolarHBondContact O-N 2.66Å; F9-V119 HydrophobicContact CD1-CG1 4.44Å; F9-V119 HydrophobicContact CE1-CG1 4.37Å; F9-V119 HydrophobicContact CE1-CG2 3.76Å; F9-V119 HydrophobicContact CZ-CG2 4.48Å; F9-K121 HydrophobicContact CD1-CB 4.49Å; F9-K121 HydrophobicContact CE1-CB 4.06Å; F9-K121 HydrophobicContact CE2-CD 4.42Å; F9-K121 HydrophobicContact CZ-CB 4.34Å; F9-K121 HydrophobicContact CZ-CD 4.48Å; F9-V131 HydrophobicContact CE1-CG1 4.13Å; F9-V131 HydrophobicContact CZ-CG1 3.8Å; F9-V131 HydrophobicContact CZ-CG2 3.84Å
10A93.6Very high84.3Confident5 Ų568.8 Ų68.84%0.04137%0.365CS..Hα-helixtrans-67.6-3518000000113.2S6 K7 Q8 L14 L31 V119S6-A10 WeakPolarHBondContact O-CB 3.37Å; S6-A10 PolarHBondContact O-N 3.17Å; K7-A10 PolarHBondContact O-N 3.38Å; Q8-A10 VanDerWaalsContact C-N 3.28Å; Q8-A10 PolarHBondContact O-N 2.82Å; A10-L14 WeakPolarHBondContact O-CB 3.41Å; A10-L14 PolarHBondContact O-N 3.43Å; A10-L31 HydrophobicContact CB-CD1 4.11Å; A10-L31 HydrophobicContact CB-CD2 4.01Å; A10-V119 HydrophobicContact CB-CG1 3.58Å
11E93.9Very high85Confident96 Ų9665.5 Ų65.545%0.44935%0.347SS..Hα-helixtrans-69.8-42.7176.2-73.2173165.100111.7K7 Q8 F9 L14 Q15K7-E11 WeakPolarHBondContact CE-OE1 3.44Å; K7-E11 IonicContact NZ-OE1 2.68Å; K7-E11 WeakPolarHBondContact O-CG 3.43Å; K7-E11 PolarHBondContact O-N 3.16Å; Q8-E11 PolarHBondContact O-N 3.15Å; Q8-E11 VanDerWaalsContact O-N 3.09Å; F9-E11 PolarHBondContact O-N 3.11Å; E11-L14 PolarHBondContact O-N 3.48Å; E11-Q15 WeakPolarHBondContact O-CB 3.3Å; E11-Q15 PolarHBondContact O-N 3.15Å
12E94.4Very high87.7Confident49 Ų4962.6 Ų62.623%0.22933%0.328CS..Hα-helixtrans-61.6-48.4174.9-72.8173.4-171.800111.6Q8 F9 L14 Q15 C16Q8-E12 HydrophobicContact CG-CG 4.49Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.26Å; Q8-E12 PolarHBondContact NE2-OE1 3.32Å; Q8-E12 WeakPolarHBondContact O-CG 3.44Å; Q8-E12 PolarHBondContact O-N 2.8Å; F9-E12 PolarHBondContact O-N 3.05Å; E12-L14 VanDerWaalsContact C-N 3.3Å; E12-L14 PolarHBondContact O-N 3.44Å; E12-Q15 PolarHBondContact O-N 3.5Å; E12-C16 PolarHBondContact O-N 3.22Å; E12-C16 PolarHBondContact O-SG 2.81Å
13V96.3Very high89.8Confident0 Ų064 Ų640%032%0.317CS..Hα-helixtrans-57.4-46.3175.8174.10000110F9 Q15 H17 L117 V119F9-V13 HydrophobicContact CD1-CG2 4.42Å; F9-V13 HydrophobicContact CE1-CG2 4.07Å; F9-V13 HydrophobicContact CE2-CG2 4.18Å; F9-V13 HydrophobicContact CZ-CG2 3.93Å; F9-V13 VanDerWaalsContact O-CG2 3.23Å; F9-V13 WeakPolarHBondContact O-CG2 3.31Å; F9-V13 PolarHBondContact O-N 2.66Å; V13-Q15 PolarHBondContact O-N 3.47Å; V13-H17 WeakPolarHBondContact CG1-CE1 3.36Å; V13-H17 WeakPolarHBondContact CG1-ND1 3.49Å; V13-H17 WeakPolarHBondContact O-CB 3.44Å; V13-H17 PolarHBondContact O-N 3.48Å; V13-H17 PolarHBondContact O-ND1 3.21Å; V13-L117 HydrophobicContact CG1-CD2 4.2Å; V13-V119 HydrophobicContact CB-CG1 4.28Å; V13-V119 HydrophobicContact CG1-CB 4.44Å; V13-V119 HydrophobicContact CG1-CG1 4.37Å; V13-V119 HydrophobicContact CG1-CG2 4.25Å; V13-V119 HydrophobicContact CG2-CG2 4.44Å
14L97.9Very high91.8Very high30 Ų3054.7 Ų54.716%0.15728%0.277CS..Hα-helixtrans-61.8-43.6178.4179.670.9000112.3A10 E11 E12 H17 N18 L29 L31 L117A10-L14 WeakPolarHBondContact O-CB 3.41Å; A10-L14 PolarHBondContact O-N 3.43Å; E11-L14 PolarHBondContact O-N 3.48Å; E12-L14 VanDerWaalsContact C-N 3.3Å; E12-L14 PolarHBondContact O-N 3.44Å; L14-H17 PolarHBondContact O-N 2.88Å; L14-N18 WeakPolarHBondContact O-CB 3.48Å; L14-N18 PolarHBondContact O-N 2.93Å; L14-L29 HydrophobicContact CD1-CB 3.97Å; L14-L31 HydrophobicContact CB-CD1 4.22Å; L14-L31 HydrophobicContact CD2-CB 4.11Å; L14-L31 HydrophobicContact CD2-CD1 4.43Å; L14-L117 HydrophobicContact CB-CD2 4.29Å; L14-L117 HydrophobicContact CD1-CB 4.24Å; L14-L117 HydrophobicContact CD1-CD2 3.9Å
15Q97.6Very high93.5Very high116 Ų11653.8 Ų53.854%0.54226%0.262SS..Hα-helixtrans-59.7-52.6179.5-179.7178.9-14.600110.3E11 E12 V13 H17 N18 E19E11-Q15 WeakPolarHBondContact O-CB 3.3Å; E11-Q15 PolarHBondContact O-N 3.15Å; E12-Q15 PolarHBondContact O-N 3.5Å; V13-Q15 PolarHBondContact O-N 3.47Å; Q15-H17 VanDerWaalsContact C-N 3.33Å; Q15-H17 PolarHBondContact O-N 3.12Å; Q15-N18 PolarHBondContact O-N 3.02Å; Q15-E19 PolarHBondContact NE2-OE1 2.98Å; Q15-E19 VanDerWaalsContact NE2-OE1 3.11Å; Q15-E19 WeakPolarHBondContact O-CG 3.46Å; Q15-E19 PolarHBondContact O-N 2.96Å
16C97.4Very high95Very high10 Ų1052.4 Ų52.47%0.06825%0.251CS..Hα-helixtrans-60.1-42.7178.4-64.90000111.8E12 N18 E19 Y20 A82E12-C16 PolarHBondContact O-N 3.22Å; E12-C16 PolarHBondContact O-SG 2.81Å; C16-N18 VanDerWaalsContact C-N 3.3Å; C16-N18 PolarHBondContact O-N 2.93Å; C16-E19 PolarHBondContact O-N 2.92Å; C16-Y20 HydrophobicContact CB-CE2 4.43Å; C16-Y20 WeakPolarHBondContact O-CD2 3.45Å; C16-Y20 PolarHBondContact O-N 2.87Å; C16-A82 HydrophobicContact CB-CB 3.54Å
17H98.4Very high95.9Very high0 Ų051.5 Ų51.50%024%0.243CC..Hα-helixtrans-55.8-46.3173.6-8266000111.6V13 L14 Q15 Y20 R21 W85 Y135V13-H17 WeakPolarHBondContact CG1-CE1 3.36Å; V13-H17 WeakPolarHBondContact CG1-ND1 3.49Å; V13-H17 WeakPolarHBondContact O-CB 3.44Å; V13-H17 PolarHBondContact O-N 3.48Å; V13-H17 PolarHBondContact O-ND1 3.21Å; L14-H17 PolarHBondContact O-N 2.88Å; Q15-H17 VanDerWaalsContact C-N 3.33Å; Q15-H17 PolarHBondContact O-N 3.12Å; H17-Y20 PolarHBondContact O-N 2.65Å; H17-R21 VanDerWaalsContact O-CB 3.3Å; H17-R21 WeakPolarHBondContact O-CB 3.17Å; H17-R21 WeakPolarHBondContact O-CG 3.35Å; H17-R21 PolarHBondContact O-N 3.47Å; H17-W85 AromaticContact CE1-CE3 3.95Å; H17-W85 AromaticContact CE1-CZ3 3.89Å; H17-Y135 AromaticContact CD2-CE1 3.75Å; H17-Y135 AromaticContact NE2-CE1 3.65Å; H17-Y135 AromaticContact NE2-CZ 3.66Å; H17-Y135 PolarHBondContact NE2-OH 3.21Å
18N98.6Very high96.6Very high37 Ų3750 Ų5020%0.19825%0.246CC..Hα-helixtrans-71.4-31.3-177.4-75.2-20000113L14 Q15 C16 K22 P28 L29L14-N18 WeakPolarHBondContact O-CB 3.48Å; L14-N18 PolarHBondContact O-N 2.93Å; Q15-N18 PolarHBondContact O-N 3.02Å; C16-N18 VanDerWaalsContact C-N 3.3Å; C16-N18 PolarHBondContact O-N 2.93Å; N18-K22 WeakPolarHBondContact O-CB 3.46Å; N18-K22 PolarHBondContact O-N 3.37Å; N18-P28 HydrophobicContact CB-CB 4.31Å; N18-P28 VanDerWaalsContact OD1-CA 3.27Å; N18-P28 WeakPolarHBondContact OD1-CA 3.41Å; N18-L29 PolarHBondContact ND2-O 3.3Å; N18-L29 VanDerWaalsContact ND2-O 3.16Å; N18-L29 PolarHBondContact OD1-N 3.33Å
19E97.8Very high97Very high90 Ų9046 Ų4642%0.42123%0.228SC..Hα-helixtrans-63.2-47170.5-72.5174.8-170.800111.5Q15 C16 K22 K23Q15-E19 PolarHBondContact NE2-OE1 2.98Å; Q15-E19 VanDerWaalsContact NE2-OE1 3.11Å; Q15-E19 WeakPolarHBondContact O-CG 3.46Å; Q15-E19 PolarHBondContact O-N 2.96Å; C16-E19 PolarHBondContact O-N 2.92Å; E19-K22 PolarHBondContact O-N 2.99Å; E19-K23 PolarHBondContact O-N 3.12Å
20Y98Very high97.4Very high29 Ų2953.4 Ų53.411%0.11426%0.26CS..Hα-helixtrans-66.7-44.6176.2-68.5-54.2000112.2C16 H17 K22 K23 H24 D83 Y86 M109C16-Y20 HydrophobicContact CB-CE2 4.43Å; C16-Y20 WeakPolarHBondContact O-CD2 3.45Å; C16-Y20 PolarHBondContact O-N 2.87Å; H17-Y20 PolarHBondContact O-N 2.65Å; Y20-K22 VanDerWaalsContact C-N 3.25Å; Y20-K22 PolarHBondContact O-N 3.42Å; Y20-K23 HydrophobicContact CD1-CD 4.17Å; Y20-K23 WeakPolarHBondContact O-CB 3.43Å; Y20-K23 PolarHBondContact O-N 3.12Å; Y20-H24 PolarHBondContact O-CD2 3.04Å; Y20-H24 VanDerWaalsContact O-CD2 3.29Å; Y20-H24 PolarHBondContact O-N 2.99Å; Y20-H24 VanDerWaalsContact O-N 3.16Å; Y20-D83 WeakPolarHBondContact CE2-OD1 3.36Å; Y20-D83 PolarHBondContact OH-OD1 3.04Å; Y20-Y86 AromaticContact CD1-CD1 3.54Å; Y20-Y86 HydrophobicContact CD1-CD1 3.54Å; Y20-Y86 AromaticContact CD1-CD2 3.39Å; Y20-Y86 HydrophobicContact CD1-CD2 3.39Å; Y20-Y86 AromaticContact CD1-CE1 3.49Å; Y20-Y86 HydrophobicContact CD1-CE1 3.49Å; Y20-Y86 VanDerWaalsContact CD1-CE1 3.49Å; Y20-Y86 AromaticContact CD1-CE2 3.31Å; Y20-Y86 HydrophobicContact CD1-CE2 3.31Å; Y20-Y86 AromaticContact CD1-CG 3.48Å; Y20-Y86 HydrophobicContact CD1-CG 3.48Å; Y20-Y86 VanDerWaalsContact CD1-CG 3.48Å; Y20-Y86 AromaticContact CD1-CZ 3.36Å; Y20-Y86 AromaticContact CD2-CD2 3.95Å; Y20-Y86 HydrophobicContact CD2-CD2 3.95Å; Y20-Y86 AromaticContact CD2-CG 3.87Å; Y20-Y86 HydrophobicContact CD2-CG 3.87Å; Y20-Y86 AromaticContact CE1-CD1 3.23Å; Y20-Y86 HydrophobicContact CE1-CD1 3.23Å; Y20-Y86 AromaticContact CE1-CD2 3.98Å; Y20-Y86 HydrophobicContact CE1-CD2 3.98Å; Y20-Y86 AromaticContact CE1-CE1 3.36Å; Y20-Y86 HydrophobicContact CE1-CE1 3.36Å; Y20-Y86 HydrophobicContact CE1-CE2 4.07Å; Y20-Y86 AromaticContact CE1-CG 3.55Å; Y20-Y86 HydrophobicContact CE1-CG 3.55Å; Y20-Y86 AromaticContact CE1-CZ 3.78Å; Y20-Y86 HydrophobicContact CE2-CD1 4.29Å; Y20-Y86 HydrophobicContact CE2-CD2 4.47Å; Y20-Y86 AromaticContact CE2-CG 3.94Å; Y20-Y86 HydrophobicContact CE2-CG 3.94Å; Y20-Y86 HydrophobicContact CG-CD1 4.2Å; Y20-Y86 AromaticContact CG-CD2 3.38Å; Y20-Y86 HydrophobicContact CG-CD2 3.38Å; Y20-Y86 HydrophobicContact CG-CE1 4.45Å; Y20-Y86 AromaticContact CG-CE2 3.67Å; Y20-Y86 HydrophobicContact CG-CE2 3.67Å; Y20-Y86 AromaticContact CG-CG 3.66Å; Y20-Y86 HydrophobicContact CG-CG 3.66Å; Y20-Y86 AromaticContact CZ-CD1 3.66Å; Y20-Y86 AromaticContact CZ-CG 3.79Å; Y20-M109 HydrophobicContact CD2-CE 3.87Å
21R98.5Very high97.6Very high0 Ų056.3 Ų56.30%027%0.274CS..Hα-helixtrans-57.7-37.9176.3-75.2174.972.781.8-0112.6H17 K23 H24 Q25 A26 P27 M109 W111 S114H17-R21 VanDerWaalsContact O-CB 3.3Å; H17-R21 WeakPolarHBondContact O-CB 3.17Å; H17-R21 WeakPolarHBondContact O-CG 3.35Å; H17-R21 PolarHBondContact O-N 3.47Å; R21-K23 PolarHBondContact O-N 3.12Å; R21-H24 CarbonylContact O-C 3.59Å; R21-H24 VanDerWaalsContact O-C 3.24Å; R21-H24 PolarHBondContact O-N 2.82Å; R21-H24 VanDerWaalsContact O-N 3.14Å; R21-Q25 PolarHBondContact O-N 3.21Å; R21-A26 CarbonylContact C-O 3.49Å; R21-A26 HydrophobicContact CB-CB 3.92Å; R21-A26 HydrophobicContact CG-CB 4.16Å; R21-A26 PolarHBondContact O-N 3.28Å; R21-P27 PolarHBondContact NE-O 2.72Å; R21-P27 PolarHBondContact NH2-O 2.79Å; R21-M109 WeakPolarHBondContact CD-O 3.37Å; R21-M109 VanDerWaalsContact CG-O 3.29Å; R21-M109 WeakPolarHBondContact CG-O 3.4Å; R21-M109 PolarHBondContact NH1-O 3.45Å; R21-W111 PolarHBondContact NH1-O 2.84Å; R21-W111 PolarHBondContact NH2-O 2.89Å; R21-S114 PolarHBondContact NH2-O 2.98Å
22K98.1Very high97.8Very high174 Ų17452.7 Ų52.776%0.75726%0.26SS*.Hα-helixtrans-59.4-44.3174.3-176-179.7177.6-176.70111.9N18 E19 Y20 H24 Q25N18-K22 WeakPolarHBondContact O-CB 3.46Å; N18-K22 PolarHBondContact O-N 3.37Å; E19-K22 PolarHBondContact O-N 2.99Å; Y20-K22 VanDerWaalsContact C-N 3.25Å; Y20-K22 PolarHBondContact O-N 3.42Å; K22-H24 PolarHBondContact O-N 3.19Å; K22-Q25 PolarHBondContact O-N 3.44Å; K22-Q25 VanDerWaalsContact O-N 3.15Å
23K97.1Very high97.8Very high91 Ų9154.3 Ų54.340%0.39628%0.277SS..Hα-helixtrans-58.4-38175.5-61.5173.3-174.1171.70111.4E19 Y20 R21 S154 K155E19-K23 PolarHBondContact O-N 3.12Å; Y20-K23 HydrophobicContact CD1-CD 4.17Å; Y20-K23 WeakPolarHBondContact O-CB 3.43Å; Y20-K23 PolarHBondContact O-N 3.12Å; R21-K23 PolarHBondContact O-N 3.12Å; K23-S154 CarbonylContact O-C 3.6Å; K23-S154 WeakPolarHBondContact O-CA 3.43Å; K23-K155 PolarHBondContact O-N 2.96Å
24H97.8Very high97.7Very high2 Ų260.2 Ų60.21%0.00930%0.302CS..THydrogen-bonded Turntrans-94.718.2-179.8-67.8-87.7000114.1Y20 R21 K22 A26 Y86 F106 V110 L152Y20-H24 PolarHBondContact O-CD2 3.04Å; Y20-H24 VanDerWaalsContact O-CD2 3.29Å; Y20-H24 PolarHBondContact O-N 2.99Å; Y20-H24 VanDerWaalsContact O-N 3.16Å; R21-H24 CarbonylContact O-C 3.59Å; R21-H24 VanDerWaalsContact O-C 3.24Å; R21-H24 PolarHBondContact O-N 2.82Å; R21-H24 VanDerWaalsContact O-N 3.14Å; K22-H24 PolarHBondContact O-N 3.19Å; H24-A26 PolarHBondContact O-N 3.08Å; H24-Y86 AromaticContact CD2-CE2 3.81Å; H24-Y86 AromaticContact NE2-CE2 3.43Å; H24-Y86 WeakPolarHBondContact NE2-CE2 3.24Å; H24-Y86 AromaticContact NE2-CZ 3.69Å; H24-Y86 PolarHBondContact NE2-OH 2.84Å; H24-Y86 VanDerWaalsContact NE2-OH 3.12Å; H24-F106 AromaticContact CE1-CE2 3.68Å; H24-F106 AromaticContact CE1-CZ 3.68Å; H24-F106 AromaticContact NE2-CE2 3.72Å; H24-V110 HydrophobicContact CB-CB 3.94Å; H24-V110 HydrophobicContact CB-CG1 4.03Å; H24-L152 PolarHBondContact ND1-O 2.85Å
25Q97.4Very high97.7Very high69 Ų6959.3 Ų59.332%0.32230%0.297SS..THydrogen-bonded Turntrans59.721.1171.9-47.1150.170.300113.6R21 K22 L152 P153 K155R21-Q25 PolarHBondContact O-N 3.21Å; K22-Q25 PolarHBondContact O-N 3.44Å; K22-Q25 VanDerWaalsContact O-N 3.15Å; Q25-L152 HydrophobicContact CB-CD1 3.93Å; Q25-P153 PolarHBondContact NE2-O 2.96Å; Q25-K155 VanDerWaalsContact CD-CE 3.48Å; Q25-K155 HydrophobicContact CG-CD 3.67Å; Q25-K155 HydrophobicContact CG-CG 3.76Å; Q25-K155 VanDerWaalsContact OE1-CE 3.28Å
26A98Very high97.6Very high7 Ų754.7 Ų54.76%0.05828%0.278CS..PPolyproline II helixtrans-92.4133.8177.400000109.5R21 H24 V110R21-A26 CarbonylContact C-O 3.49Å; R21-A26 HydrophobicContact CB-CB 3.92Å; R21-A26 HydrophobicContact CG-CB 4.16Å; R21-A26 PolarHBondContact O-N 3.28Å; H24-A26 PolarHBondContact O-N 3.08Å; A26-V110 VanDerWaalsContact CB-O 3.32Å; A26-V110 WeakPolarHBondContact CB-O 3.35Å
27P98.4Very high97.5Very high56 Ų5660.8 Ų60.836%0.36430%0.3SS..PPolyproline II helixtrans-58.1149175.7-24.533.9000111.7R21R21-P27 PolarHBondContact NE-O 2.72Å; R21-P27 PolarHBondContact NH2-O 2.79Å
28P98.7Very high97.3Very high93 Ų9363 Ų6360%0.60431%0.31SS*.PPolyproline II helixtrans-62.2143.9-179.826.7-34.8000111.8N18N18-P28 HydrophobicContact CB-CB 4.31Å; N18-P28 VanDerWaalsContact OD1-CA 3.27Å; N18-P28 WeakPolarHBondContact OD1-CA 3.41Å
29L98.8Very high97.2Very high4 Ų461.2 Ų61.22%0.02130%0.3CS..PPolyproline II helixtrans-75.5156.8168.3-60.8172.8000110L14 N18 S114 K115 L117 Y135L14-L29 HydrophobicContact CD1-CB 3.97Å; N18-L29 PolarHBondContact ND2-O 3.3Å; N18-L29 VanDerWaalsContact ND2-O 3.16Å; N18-L29 PolarHBondContact OD1-N 3.33Å; L29-S114 VanDerWaalsContact CD2-C 3.43Å; L29-S114 VanDerWaalsContact CD2-O 3.23Å; L29-S114 WeakPolarHBondContact CD2-O 3.31Å; L29-K115 WeakPolarHBondContact CA-O 3.46Å; L29-L117 HydrophobicContact CB-CB 4.17Å; L29-L117 HydrophobicContact CD1-CB 4.01Å; L29-Y135 HydrophobicContact CD1-CD1 4.09Å; L29-Y135 HydrophobicContact CD1-CE1 4.2Å
30K98.4Very high97.1Very high164 Ų16458.1 Ų58.171%0.71329%0.29SS*.EExtended strand (participates in β ladder)trans-113.1138.4168.2-64.1-176.3179.5-176.90110.2S32 K115 K116 L117K30-S32 PolarHBondContact O-N 3.07Å; K30-K115 PolarHBondContact N-O 3.38Å; K30-K116 VanDerWaalsContact O-CA 3.27Å; K30-K116 WeakPolarHBondContact O-CA 3.31Å; K30-L117 PolarHBondContact O-N 3.06Å
31L97.8Very high97Very high65 Ų6563.1 Ų63.134%0.3431%0.309SS..EExtended strand (participates in β ladder)trans-62.6138.3173.2-149.877.9000110.2A10 L14 L117A10-L31 HydrophobicContact CB-CD1 4.11Å; A10-L31 HydrophobicContact CB-CD2 4.01Å; L14-L31 HydrophobicContact CB-CD1 4.22Å; L14-L31 HydrophobicContact CD2-CB 4.11Å; L14-L31 HydrophobicContact CD2-CD1 4.43Å; L31-L117 CarbonylContact C-O 3.55Å; L31-L117 WeakPolarHBondContact CA-O 3.35Å
32S97.5Very high96.9Very high20 Ų2064.8 Ų64.814%0.1432%0.316CS..  trans-120.1111175.31730000109.3K30 K34 L35 S36 L117K30-S32 PolarHBondContact O-N 3.07Å; S32-K34 PolarHBondContact O-N 2.72Å; S32-K34 VanDerWaalsContact O-N 3.13Å; S32-L35 PolarHBondContact O-N 2.88Å; S32-L35 PolarHBondContact OG-N 3.36Å; S32-S36 PolarHBondContact O-N 2.99Å; S32-S36 PolarHBondContact O-OG 2.74Å; S32-L117 PolarHBondContact N-O 3.5Å
33S94.9Very high96.8Very high84 Ų8456.5 Ų56.559%0.58728%0.28SS*.Hα-helixtrans-58.4-30.1178.5-44.60000112.3R37S33-R37 VanDerWaalsContact O-CG 3.31Å; S33-R37 WeakPolarHBondContact O-CG 3.32Å; S33-R37 PolarHBondContact O-N 3.37Å; S33-R37 VanDerWaalsContact O-N 3.13Å; S33-R37 PolarHBondContact O-NH1 3.27Å
34K95.3Very high96.8Very high124 Ų12457.7 Ų57.754%0.53929%0.287SS..Hα-helixtrans-64.2-51.9173.7179.9179.6172.8-178.70111.1S32 S36 R37 E38S32-K34 PolarHBondContact O-N 2.72Å; S32-K34 VanDerWaalsContact O-N 3.13Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 3.38Å; K34-R37 PolarHBondContact O-N 3.18Å; K34-E38 WeakPolarHBondContact CE-OE1 3.43Å; K34-E38 WeakPolarHBondContact CG-OE1 3.34Å; K34-E38 PolarHBondContact O-N 3.3Å; K34-E38 VanDerWaalsContact O-N 3.1Å
35L96.4Very high96.7Very high10 Ų1060.3 Ų60.35%0.05231%0.305CS..Hα-helixtrans-65.1-38.5-179.3-64.2180000111.2S32 R37 E38 A39 K116 R134 F136S32-L35 PolarHBondContact O-N 2.88Å; S32-L35 PolarHBondContact OG-N 3.36Å; L35-R37 PolarHBondContact O-N 2.84Å; L35-E38 PolarHBondContact O-N 2.93Å; L35-A39 VanDerWaalsContact O-CB 3.3Å; L35-A39 WeakPolarHBondContact O-CB 3.21Å; L35-A39 PolarHBondContact O-N 2.92Å; L35-K116 HydrophobicContact CD1-CB 3.9Å; L35-R134 HydrophobicContact CB-CB 4.29Å; L35-R134 HydrophobicContact CD2-CB 4.48Å; L35-F136 HydrophobicContact CD1-CB 3.91Å
36S96.3Very high96.7Very high19 Ų1957.1 Ų57.113%0.13329%0.29CS..Hα-helixtrans-63.8-39.5176.6-61.90000112.4S32 K34 A39 A40 G118 V119S32-S36 PolarHBondContact O-N 2.99Å; S32-S36 PolarHBondContact O-OG 2.74Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 3.38Å; S36-A39 PolarHBondContact O-N 2.99Å; S36-A40 VanDerWaalsContact O-CB 3.31Å; S36-A40 WeakPolarHBondContact O-CB 3.31Å; S36-A40 PolarHBondContact O-N 2.83Å; S36-G118 WeakPolarHBondContact OG-CA 3.4Å; S36-V119 WeakPolarHBondContact CB-O 3.4Å; S36-V119 PolarHBondContact OG-N 3.12Å; S36-V119 PolarHBondContact OG-O 2.85Å
37R94.9Very high96.6Very high139 Ų13957.1 Ų57.153%0.52529%0.29SS..Hα-helixtrans-64.7-40174.1-72.8-173.4-43.2-92.73.5112.3S33 K34 L35 R41S33-R37 VanDerWaalsContact O-CG 3.31Å; S33-R37 WeakPolarHBondContact O-CG 3.32Å; S33-R37 PolarHBondContact O-N 3.37Å; S33-R37 VanDerWaalsContact O-N 3.13Å; S33-R37 PolarHBondContact O-NH1 3.27Å; K34-R37 PolarHBondContact O-N 3.18Å; L35-R37 PolarHBondContact O-N 2.84Å; R37-R41 WeakPolarHBondContact O-CG 3.26Å; R37-R41 PolarHBondContact O-N 3.02Å; R37-R41 VanDerWaalsContact O-N 3.11Å; R37-R41 PolarHBondContact O-NH1 3.05Å
38E95Very high96.5Very high45 Ų4559.3 Ų59.321%0.2131%0.307CS..Hα-helixtrans-66-43.6176.4-75165.8-170.800111.6K34 L35 Y42K34-E38 WeakPolarHBondContact CE-OE1 3.43Å; K34-E38 WeakPolarHBondContact CG-OE1 3.34Å; K34-E38 PolarHBondContact O-N 3.3Å; K34-E38 VanDerWaalsContact O-N 3.1Å; L35-E38 PolarHBondContact O-N 2.93Å; E38-Y42 PolarHBondContact O-N 2.77Å; E38-Y42 VanDerWaalsContact O-N 3.09Å
39A96.1Very high96.3Very high0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-62.6-43.3175.300000111.9L35 S36 Y42 A43 V132 R134L35-A39 VanDerWaalsContact O-CB 3.3Å; L35-A39 WeakPolarHBondContact O-CB 3.21Å; L35-A39 PolarHBondContact O-N 2.92Å; S36-A39 PolarHBondContact O-N 2.99Å; A39-Y42 PolarHBondContact O-N 2.79Å; A39-A43 WeakPolarHBondContact O-CB 3.2Å; A39-A43 PolarHBondContact O-N 2.86Å; A39-V132 HydrophobicContact CB-CB 4.1Å; A39-V132 HydrophobicContact CB-CG1 3.99Å; A39-V132 WeakPolarHBondContact CB-O 3.45Å; A39-R134 HydrophobicContact CB-CG 4.08Å
40A95.4Very high96.1Very high26 Ų2662.1 Ų62.122%0.21531%0.313CS..Hα-helixtrans-62.4-46.9177.900000112.1S36 Y42 A43 E44S36-A40 VanDerWaalsContact O-CB 3.31Å; S36-A40 WeakPolarHBondContact O-CB 3.31Å; S36-A40 PolarHBondContact O-N 2.83Å; A40-Y42 PolarHBondContact O-N 2.86Å; A40-A43 WeakPolarHBondContact O-CB 3.27Å; A40-A43 PolarHBondContact O-N 2.64Å; A40-A43 VanDerWaalsContact O-N 3.16Å; A40-E44 WeakPolarHBondContact O-CG 3.4Å; A40-E44 PolarHBondContact O-N 3.17Å
41R95.7Very high95.9Very high133 Ų13358.5 Ų58.550%0.50230%0.3SS..Hα-helixtrans-58.5-38.5174.6-75.8-168.2-61-87.23.2112.4R37 S45R37-R41 WeakPolarHBondContact O-CG 3.26Å; R37-R41 PolarHBondContact O-N 3.02Å; R37-R41 VanDerWaalsContact O-N 3.11Å; R37-R41 PolarHBondContact O-NH1 3.05Å; R41-S45 PolarHBondContact O-N 2.97Å
42Y96.8Very high95.6Very high36 Ų3659.6 Ų59.614%0.14131%0.306CS..Hα-helixtrans-71.6-40.2177.7-164.5-121.6000111.9E38 A39 A40 E44 S45 L46 K53 H54 S55 L67 V132E38-Y42 PolarHBondContact O-N 2.77Å; E38-Y42 VanDerWaalsContact O-N 3.09Å; A39-Y42 PolarHBondContact O-N 2.79Å; A40-Y42 PolarHBondContact O-N 2.86Å; Y42-E44 VanDerWaalsContact C-N 3.29Å; Y42-E44 PolarHBondContact O-N 3.35Å; Y42-S45 WeakPolarHBondContact O-CB 3.29Å; Y42-S45 PolarHBondContact O-N 3.48Å; Y42-L46 HydrophobicContact CD1-CD1 4.13Å; Y42-L46 HydrophobicContact CD1-CG 4.34Å; Y42-L46 HydrophobicContact CE1-CD1 4.02Å; Y42-L46 HydrophobicContact CE1-CD2 3.94Å; Y42-L46 HydrophobicContact CE1-CG 4.09Å; Y42-L46 WeakPolarHBondContact O-CG 3.49Å; Y42-L46 PolarHBondContact O-N 3.07Å; Y42-K53 PolarHBondContact OH-O 3.09Å; Y42-H54 VanDerWaalsContact OH-C 3.22Å; Y42-H54 PolarHBondContact OH-O 2.85Å; Y42-S55 VanDerWaalsContact CZ-CA 3.41Å; Y42-S55 VanDerWaalsContact CZ-CB 3.45Å; Y42-S55 VanDerWaalsContact OH-CA 3.22Å; Y42-S55 WeakPolarHBondContact OH-CA 3.23Å; Y42-S55 PolarHBondContact OH-N 3.33Å; Y42-S55 VanDerWaalsContact OH-N 3.12Å; Y42-L67 HydrophobicContact CE1-CD2 4.41Å; Y42-V132 HydrophobicContact CD1-CG1 4.14Å; Y42-V132 HydrophobicContact CD1-CG2 3.87Å
43A96.2Very high95.5Very high0 Ų064.5 Ų64.50%032%0.324CS..Hα-helixtrans-57.5-41.8173.200000111.7A39 A40 S45 L46 A47 A122 V132A39-A43 WeakPolarHBondContact O-CB 3.2Å; A39-A43 PolarHBondContact O-N 2.86Å; A40-A43 WeakPolarHBondContact O-CB 3.27Å; A40-A43 PolarHBondContact O-N 2.64Å; A40-A43 VanDerWaalsContact O-N 3.16Å; A43-S45 VanDerWaalsContact C-N 3.34Å; A43-S45 PolarHBondContact O-N 2.81Å; A43-L46 PolarHBondContact O-N 3.32Å; A43-A47 WeakPolarHBondContact O-CB 3.41Å; A43-A47 PolarHBondContact O-N 2.99Å; A43-A122 VanDerWaalsContact C-CB 3.43Å; A43-A122 HydrophobicContact CB-CB 3.94Å; A43-A122 WeakPolarHBondContact O-CB 2.97Å; A43-V132 HydrophobicContact CB-CG2 3.87Å
44E96.4Very high95.4Very high116 Ų11665.1 Ų65.154%0.54232%0.318SS..Hα-helixtrans-59.4-42.3173.8-70.7165.1-176.500111.9A40 Y42 L46 A47 S48 A122A40-E44 WeakPolarHBondContact O-CG 3.4Å; A40-E44 PolarHBondContact O-N 3.17Å; Y42-E44 VanDerWaalsContact C-N 3.29Å; Y42-E44 PolarHBondContact O-N 3.35Å; E44-L46 PolarHBondContact O-N 3.14Å; E44-A47 PolarHBondContact O-N 2.7Å; E44-S48 WeakPolarHBondContact O-CB 3.27Å; E44-S48 PolarHBondContact O-N 3.34Å; E44-A122 HydrophobicContact CB-CB 4.42Å; E44-A122 HydrophobicContact CG-CB 4.02Å
45S96.7Very high95Very high57 Ų5759.4 Ų59.440%0.39929%0.293SS..Hα-helixtrans-63.9-39.2174.8-176.50000112.5R41 Y42 A43 S48 T49R41-S45 PolarHBondContact O-N 2.97Å; Y42-S45 WeakPolarHBondContact O-CB 3.29Å; Y42-S45 PolarHBondContact O-N 3.48Å; A43-S45 VanDerWaalsContact C-N 3.34Å; A43-S45 PolarHBondContact O-N 2.81Å; S45-S48 PolarHBondContact O-N 3.46Å; S45-T49 WeakPolarHBondContact O-CB 3.48Å; S45-T49 WeakPolarHBondContact O-CG2 3.46Å; S45-T49 PolarHBondContact O-N 3.24Å; S45-T49 PolarHBondContact O-OG1 3.36Å
46L96.4Very high94.7Very high1 Ų163.5 Ų63.51%0.00532%0.319CS..Hα-helixtrans-66.5-43.1175.3-61.4174000110.8Y42 A43 E44 S48 T49 R50 I51 L67 F130 V132Y42-L46 HydrophobicContact CD1-CD1 4.13Å; Y42-L46 HydrophobicContact CD1-CG 4.34Å; Y42-L46 HydrophobicContact CE1-CD1 4.02Å; Y42-L46 HydrophobicContact CE1-CD2 3.94Å; Y42-L46 HydrophobicContact CE1-CG 4.09Å; Y42-L46 WeakPolarHBondContact O-CG 3.49Å; Y42-L46 PolarHBondContact O-N 3.07Å; A43-L46 PolarHBondContact O-N 3.32Å; E44-L46 PolarHBondContact O-N 3.14Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 2.98Å; L46-T49 PolarHBondContact O-N 3.44Å; L46-R50 VanDerWaalsContact O-CA 3.3Å; L46-R50 WeakPolarHBondContact O-CA 3.22Å; L46-R50 PolarHBondContact O-N 3.08Å; L46-I51 WeakPolarHBondContact CD2-O 3.5Å; L46-L67 HydrophobicContact CD1-CD2 4.02Å; L46-F130 HydrophobicContact CB-CB 4.02Å; L46-F130 HydrophobicContact CB-CD1 3.54Å; L46-F130 HydrophobicContact CB-CE1 4.17Å; L46-F130 HydrophobicContact CB-CG 3.85Å; L46-F130 HydrophobicContact CD1-CD1 4.41Å; L46-V132 HydrophobicContact CD1-CG2 3.67Å
47A95.9Very high94Very high8 Ų869.4 Ų69.47%0.06634%0.344CS..Hα-helixtrans-65.4-32.9177.200000113.1A43 E44 R50 A122 A124 F130A43-A47 WeakPolarHBondContact O-CB 3.41Å; A43-A47 PolarHBondContact O-N 2.99Å; E44-A47 PolarHBondContact O-N 2.7Å; A47-R50 VanDerWaalsContact O-CD 3.28Å; A47-R50 WeakPolarHBondContact O-CD 3.47Å; A47-R50 PolarHBondContact O-NE 3.06Å; A47-A122 HydrophobicContact CB-CB 3.8Å; A47-A124 HydrophobicContact CB-CB 4.14Å; A47-F130 HydrophobicContact CB-CD2 3.82Å; A47-F130 HydrophobicContact CB-CE2 4.35Å
48S96.6Very high93.3Very high101 Ų10168.1 Ų68.171%0.70636%0.357SS*.Hα-helixtrans-73.3-41.7175.2175.30000112.4E44 S45 L46E44-S48 WeakPolarHBondContact O-CB 3.27Å; E44-S48 PolarHBondContact O-N 3.34Å; S45-S48 PolarHBondContact O-N 3.46Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 2.98Å
49T95.8Very high92.5Very high66 Ų6669.4 Ų69.441%0.40537%0.371SS..Hα-helixtrans-89.3-19.8-175.957.80000114.2S45 L46 I51S45-T49 WeakPolarHBondContact O-CB 3.48Å; S45-T49 WeakPolarHBondContact O-CG2 3.46Å; S45-T49 PolarHBondContact O-N 3.24Å; S45-T49 PolarHBondContact O-OG1 3.36Å; L46-T49 PolarHBondContact O-N 3.44Å; T49-I51 PolarHBondContact O-N 3.29Å
50R94.3Very high91.5Very high91 Ų9172 Ų7234%0.34338%0.381SS..  trans6021.1-172.8-50-59.5176.7754.5115L46 A47 S125 D126L46-R50 VanDerWaalsContact O-CA 3.3Å; L46-R50 WeakPolarHBondContact O-CA 3.22Å; L46-R50 PolarHBondContact O-N 3.08Å; A47-R50 VanDerWaalsContact O-CD 3.28Å; A47-R50 WeakPolarHBondContact O-CD 3.47Å; A47-R50 PolarHBondContact O-NE 3.06Å; R50-S125 VanDerWaalsContact NH2-N 3.19Å; R50-S125 PolarHBondContact NH2-OG 3.1Å; R50-D126 IonicContact CZ-OD1 3.45Å; R50-D126 IonicContact CZ-OD2 3.89Å; R50-D126 VanDerWaalsContact NH1-CB 3.35Å; R50-D126 IonicContact NH1-OD1 2.7Å; R50-D126 PolarHBondContact NH1-OD1 3.2Å; R50-D126 IonicContact NH1-OD2 3.26Å; R50-D126 PolarHBondContact NH1-OD2 3.31Å; R50-D126 IonicContact NH2-OD1 2.77Å
51I92.5Very high90.9Very high87 Ų8772.8 Ų72.845%0.44639%0.391SS..  trans-109.2108.6-178.8-63167.1000108.3L46 T49 K53L46-I51 WeakPolarHBondContact CD2-O 3.5Å; T49-I51 PolarHBondContact O-N 3.29Å; I51-K53 HydrophobicContact CG2-CB 4.1Å; I51-K53 HydrophobicContact CG2-CD 3.81Å; I51-K53 HydrophobicContact CG2-CG 3.88Å; I51-K53 PolarHBondContact O-N 3.14Å
52L92.9Very high90.5Very high89 Ų8970.6 Ų70.647%0.46640%0.396SS..  trans-75.893.8172.3-168.170.4000109.5L67 W69 F130L52-L67 HydrophobicContact CD1-CB 3.95Å; L52-L67 HydrophobicContact CD1-CD1 4.29Å; L52-W69 HydrophobicContact CD1-CB 4.05Å; L52-W69 HydrophobicContact CD2-CB 3.85Å; L52-W69 HydrophobicContact CG-CB 4.47Å; L52-F130 HydrophobicContact CD1-CD1 4.02Å; L52-F130 HydrophobicContact CD1-CE1 4.39Å
53K94.6Very high90.3Very high122 Ų12269.5 Ų69.553%0.5339%0.393SS..  trans-138.9152.1175.467.1178.9177.1-177.40110.7Y42 I51 L67Y42-K53 PolarHBondContact OH-O 3.09Å; I51-K53 HydrophobicContact CG2-CB 4.1Å; I51-K53 HydrophobicContact CG2-CD 3.81Å; I51-K53 HydrophobicContact CG2-CG 3.88Å; I51-K53 PolarHBondContact O-N 3.14Å; K53-L67 VanDerWaalsContact O-CD1 3.23Å; K53-L67 WeakPolarHBondContact O-CD1 3.3Å
54H92.3Very high90.3Very high98 Ų9870.1 Ų70.145%0.45440%0.4SS..PPolyproline II helixtrans-61.8145.3172.4-82.3-62.6000112.2Y42 E65Y42-H54 VanDerWaalsContact OH-C 3.22Å; Y42-H54 PolarHBondContact OH-O 2.85Å; H54-E65 VanDerWaalsContact CA-OE1 3.28Å; H54-E65 WeakPolarHBondContact CA-OE1 3.43Å; H54-E65 PolarHBondContact CE1-O 3.16Å; H54-E65 IonicContact CE1-OE1 3.76Å; H54-E65 IonicContact CG-OE1 3.51Å; H54-E65 IonicContact ND1-OE1 3.65Å; H54-E65 PolarHBondContact ND1-OE1 3.1Å
55S88.9Confident90.3Very high3 Ų365.2 Ų65.22%0.02138%0.377CS..PPolyproline II helixtrans-64.4149.3170.954.60000110.6Y42 R60 E65 R134Y42-S55 VanDerWaalsContact CZ-CA 3.41Å; Y42-S55 VanDerWaalsContact CZ-CB 3.45Å; Y42-S55 VanDerWaalsContact OH-CA 3.22Å; Y42-S55 WeakPolarHBondContact OH-CA 3.23Å; Y42-S55 PolarHBondContact OH-N 3.33Å; Y42-S55 VanDerWaalsContact OH-N 3.12Å; S55-R60 VanDerWaalsContact O-CZ 3.24Å; S55-R60 PolarHBondContact O-NH1 2.98Å; S55-R60 WeakPolarHBondContact OG-CD 3.38Å; S55-E65 WeakPolarHBondContact CB-OE2 3.3Å; S55-E65 PolarHBondContact N-OE1 3.48Å; S55-E65 VanDerWaalsContact OG-CD 3.23Å; S55-E65 PolarHBondContact OG-OE1 3.15Å; S55-E65 PolarHBondContact OG-OE2 3.47Å; S55-R134 PolarHBondContact OG-NH2 2.78Å
56V88.1Confident90.3Very high97 Ų9762.6 Ų62.659%0.58836%0.358SS*.PPolyproline II helixtrans-64.3138.9173.7-63.30000109.3S58 S59 R60V56-S58 VanDerWaalsContact C-N 3.26Å; V56-S58 PolarHBondContact O-N 2.87Å; V56-S59 WeakPolarHBondContact CG2-OG 3.28Å; V56-S59 WeakPolarHBondContact O-CB 3.43Å; V56-S59 PolarHBondContact O-N 3.04Å; V56-S59 PolarHBondContact O-OG 3.33Å; V56-R60 PolarHBondContact O-N 3.09Å
57E82.1Confident90.3Very high143 Ų14363.1 Ų63.167%0.66836%0.361SS*.Hα-helixtrans-56.3-40.9-172.2-168.5172.1176.500112.8S59 R60 G61E57-S59 PolarHBondContact O-N 3.12Å; E57-S59 VanDerWaalsContact O-N 3.12Å; E57-R60 WeakPolarHBondContact O-CG 3.23Å; E57-R60 PolarHBondContact O-N 2.91Å; E57-G61 PolarHBondContact O-N 3.29Å
58S81.4Confident90.2Very high112 Ų11263.4 Ų63.478%0.78336%0.363SS*.Hα-helixtrans-57-2717553.30000114.1V56V56-S58 VanDerWaalsContact C-N 3.26Å; V56-S58 PolarHBondContact O-N 2.87Å
59S78.4Confident90.1Very high72 Ų7264.4 Ų64.450%0.50335%0.352SS..Hα-helixtrans-87.8-15.2178.973.20000114V56 E57V56-S59 WeakPolarHBondContact CG2-OG 3.28Å; V56-S59 WeakPolarHBondContact O-CB 3.43Å; V56-S59 PolarHBondContact O-N 3.04Å; V56-S59 PolarHBondContact O-OG 3.33Å; E57-S59 PolarHBondContact O-N 3.12Å; E57-S59 VanDerWaalsContact O-N 3.12Å
60R74.9Confident90Very high55 Ų5561.4 Ų61.421%0.20833%0.334CS..Hα-helixtrans-111.5-7.417961.2174.9175.7-139.70.6113.8S55 V56 E57 C63 E65 R134S55-R60 VanDerWaalsContact O-CZ 3.24Å; S55-R60 PolarHBondContact O-NH1 2.98Å; S55-R60 WeakPolarHBondContact OG-CD 3.38Å; V56-R60 PolarHBondContact O-N 3.09Å; E57-R60 WeakPolarHBondContact O-CG 3.23Å; E57-R60 PolarHBondContact O-N 2.91Å; R60-C63 WeakPolarHBondContact CD-O 3.36Å; R60-C63 VanDerWaalsContact O-CB 3.29Å; R60-C63 WeakPolarHBondContact O-CB 3.12Å; R60-C63 PolarHBondContact O-N 3.2Å; R60-C63 PolarHBondContact O-SG 3.05Å; R60-E65 IonicContact NH1-OE1 3.12Å; R60-E65 PolarHBondContact NH1-OE1 2.96Å; R60-E65 VanDerWaalsContact NH1-OE1 3.12Å; R60-R134 VanDerWaalsContact CB-NH1 3.28Å
61G82.1Confident89.8Confident42 Ų4261 Ų6143%0.43335%0.345SS..THydrogen-bonded Turntrans57.6-145.6-176.800000111.1E57 C63E57-G61 PolarHBondContact O-N 3.29Å; G61-C63 PolarHBondContact O-N 3.09Å
62S88.1Confident89.5Confident87 Ų8762.2 Ų62.261%0.60835%0.345SS*.THydrogen-bonded Turntrans-7731.2178.5-42.60000114A138S62-A138 WeakPolarHBondContact O-CB 3.37Å; S62-A138 PolarHBondContact O-N 2.89Å
63C92.8Very high88.9Confident12 Ų1261.6 Ų61.68%0.08134%0.342CS..  trans-100.3137.9177.6-570000111.5R60 G61 Y135R60-C63 WeakPolarHBondContact CD-O 3.36Å; R60-C63 VanDerWaalsContact O-CB 3.29Å; R60-C63 WeakPolarHBondContact O-CB 3.12Å; R60-C63 PolarHBondContact O-N 3.2Å; R60-C63 PolarHBondContact O-SG 3.05Å; G61-C63 PolarHBondContact O-N 3.09Å; C63-Y135 CarbonylContact C-O 3.56Å; C63-Y135 WeakPolarHBondContact CA-O 3.29Å; C63-Y135 WeakPolarHBondContact CB-O 3.3Å
64G94.7Very high87.8Confident13 Ų1355.8 Ų55.813%0.13432%0.317CS..EExtended strand (participates in β ladder)trans-75.5165.3165.300000111.1R134 Y135G64-R134 VanDerWaalsContact O-CA 3.3Å; G64-R134 WeakPolarHBondContact O-CA 3.48Å; G64-R134 WeakPolarHBondContact O-CD 3.42Å; G64-Y135 PolarHBondContact N-O 3.13Å; G64-Y135 PolarHBondContact O-N 3.29Å
65E96.4Very high86.2Confident14 Ų1453.5 Ų53.57%0.06531%0.31CS..EExtended strand (participates in β ladder)trans-144.2132.4-177.2-174.917470.300112.1H54 S55 R60 L67 V132 A133 R134H54-E65 VanDerWaalsContact CA-OE1 3.28Å; H54-E65 WeakPolarHBondContact CA-OE1 3.43Å; H54-E65 PolarHBondContact CE1-O 3.16Å; H54-E65 IonicContact CE1-OE1 3.76Å; H54-E65 IonicContact CG-OE1 3.51Å; H54-E65 IonicContact ND1-OE1 3.65Å; H54-E65 PolarHBondContact ND1-OE1 3.1Å; S55-E65 WeakPolarHBondContact CB-OE2 3.3Å; S55-E65 PolarHBondContact N-OE1 3.48Å; S55-E65 VanDerWaalsContact OG-CD 3.23Å; S55-E65 PolarHBondContact OG-OE1 3.15Å; S55-E65 PolarHBondContact OG-OE2 3.47Å; R60-E65 IonicContact NH1-OE1 3.12Å; R60-E65 PolarHBondContact NH1-OE1 2.96Å; R60-E65 VanDerWaalsContact NH1-OE1 3.12Å; E65-L67 HydrophobicContact CG-CD2 3.84Å; E65-L67 HydrophobicContact CG-CG 4.28Å; E65-V132 HydrophobicContact CG-CG1 4.14Å; E65-A133 VanDerWaalsContact CA-O 3.24Å; E65-A133 WeakPolarHBondContact CA-O 3.37Å; E65-R134 IonicContact OE2-CZ 3.29Å; E65-R134 VanDerWaalsContact OE2-CZ 3.29Å; E65-R134 IonicContact OE2-NE 2.83Å; E65-R134 PolarHBondContact OE2-NE 2.85Å; E65-R134 IonicContact OE2-NH2 2.92Å; E65-R134 PolarHBondContact OE2-NH2 2.88Å
66N97.5Very high85Confident2 Ų258.8 Ų58.81%0.01134%0.338CS..EExtended strand (participates in β ladder)trans-113.5145.3162.5-75.50.4000109.1W85 H105 A108 A133 Y135N66-W85 HydrophobicContact CB-CD2 4.01Å; N66-W85 HydrophobicContact CB-CE3 4.26Å; N66-W85 HydrophobicContact CB-CH2 3.94Å; N66-W85 HydrophobicContact CB-CZ2 3.64Å; N66-W85 HydrophobicContact CB-CZ3 4.22Å; N66-H105 VanDerWaalsContact CG-CD2 3.49Å; N66-H105 WeakPolarHBondContact ND2-CA 3.39Å; N66-H105 PolarHBondContact ND2-O 3.11Å; N66-H105 PolarHBondContact OD1-CD2 3.13Å; N66-A108 WeakPolarHBondContact OD1-CB 3.38Å; N66-A133 HydrophobicContact CB-CB 4.29Å; N66-A133 PolarHBondContact N-O 3.28Å; N66-A133 PolarHBondContact O-N 2.84Å; N66-Y135 HydrophobicContact CB-CE2 4.03Å; N66-Y135 PolarHBondContact ND2-OH 3.33Å
67L96.1Very high84.6Confident12 Ų1254.6 Ų54.66%0.06331%0.313CS..EExtended strand (participates in β ladder)trans-121.9147.3176.9-57.4-180000110Y42 L46 L52 K53 E65 W85 V131 V132Y42-L67 HydrophobicContact CE1-CD2 4.41Å; L46-L67 HydrophobicContact CD1-CD2 4.02Å; L52-L67 HydrophobicContact CD1-CB 3.95Å; L52-L67 HydrophobicContact CD1-CD1 4.29Å; K53-L67 VanDerWaalsContact O-CD1 3.23Å; K53-L67 WeakPolarHBondContact O-CD1 3.3Å; E65-L67 HydrophobicContact CG-CD2 3.84Å; E65-L67 HydrophobicContact CG-CG 4.28Å; L67-W85 PolarHBondContact O-NE1 3.41Å; L67-V131 CarbonylContact C-O 3.47Å; L67-V131 WeakPolarHBondContact CA-O 3.38Å; L67-V132 HydrophobicContact CD2-CB 4.25Å; L67-V132 HydrophobicContact CD2-CG1 4.09Å; L67-V132 HydrophobicContact CD2-CG2 3.75Å
68A94.4Very high84.8Confident14 Ų1447.8 Ų47.812%0.11628%0.281CS..EExtended strand (participates in β ladder)trans-139.6150.3167.200000110.2V81 W85 F130 V131A68-V81 HydrophobicContact CB-CG1 4Å; A68-W85 HydrophobicContact CB-CZ2 3.88Å; A68-F130 WeakPolarHBondContact O-CA 3.25Å; A68-V131 HydrophobicContact CB-CB 4.27Å; A68-V131 PolarHBondContact N-O 3.09Å; A68-V131 PolarHBondContact O-N 2.91Å
69W94.8Very high85.3Confident121 Ų12147.6 Ų47.646%0.45827%0.267SS..EExtended strand (participates in β ladder)trans-134.5145.1175176.180000109.9L52 S129 F130L52-W69 HydrophobicContact CD1-CB 4.05Å; L52-W69 HydrophobicContact CD2-CB 3.85Å; L52-W69 HydrophobicContact CG-CB 4.47Å; W69-S129 WeakPolarHBondContact CA-O 3.42Å; W69-F130 AromaticContact CD1-CD1 3.73Å; W69-F130 AromaticContact CD1-CE1 3.32Å; W69-F130 AromaticContact CD1-CE2 3.71Å; W69-F130 AromaticContact CD1-CZ 3.3Å; W69-F130 HydrophobicContact CG-CE1 4.24Å; W69-F130 HydrophobicContact CG-CZ 4.49Å; W69-F130 AromaticContact NE1-CE1 3.99Å; W69-F130 AromaticContact NE1-CE2 3.86Å; W69-F130 AromaticContact NE1-CZ 3.51Å
70A92.3Very high85.9Confident4 Ų447.6 Ų47.63%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-140.8148.1169.400000109.9Y72 Q74 S128 S129A70-Y72 HydrophobicContact CB-CD1 4.37Å; A70-Y72 HydrophobicContact CB-CD2 4.44Å; A70-Y72 HydrophobicContact CB-CE1 4.2Å; A70-Y72 HydrophobicContact CB-CE2 4.25Å; A70-Y72 HydrophobicContact CB-CG 4.5Å; A70-Y72 PolarHBondContact O-N 3.09Å; A70-Y72 VanDerWaalsContact O-N 3.16Å; A70-Q74 HydrophobicContact CB-CG 3.94Å; A70-S128 CarbonylContact O-C 3.22Å; A70-S128 VanDerWaalsContact O-CA 3.27Å; A70-S128 WeakPolarHBondContact O-CA 3.28Å; A70-S128 VanDerWaalsContact O-CB 3.27Å; A70-S128 WeakPolarHBondContact O-CB 3.3Å; A70-S129 PolarHBondContact N-O 3.27Å; A70-S129 VanDerWaalsContact N-O 3.08Å; A70-S129 PolarHBondContact O-N 2.94Å
71S90.7Very high86.8Confident82 Ų8245 Ų4557%0.57325%0.251SS*.SBendtrans-72.10.7176.255.30000114.2
72Y86.8Confident87.5Confident112 Ų11243 Ų4344%0.43923%0.23SC..SBendtrans-134.4167.6-179.953.4-93.3000110.4A70 Q74 R84 G127 S129A70-Y72 HydrophobicContact CB-CD1 4.37Å; A70-Y72 HydrophobicContact CB-CD2 4.44Å; A70-Y72 HydrophobicContact CB-CE1 4.2Å; A70-Y72 HydrophobicContact CB-CE2 4.25Å; A70-Y72 HydrophobicContact CB-CG 4.5Å; A70-Y72 PolarHBondContact O-N 3.09Å; A70-Y72 VanDerWaalsContact O-N 3.16Å; Y72-Q74 HydrophobicContact CD2-CG 4.31Å; Y72-Q74 HydrophobicContact CE2-CG 4.03Å; Y72-R84 PolarHBondContact OH-NH2 3.16Å; Y72-G127 CarbonylContact C-O 3.58Å; Y72-G127 WeakPolarHBondContact CA-O 3.33Å; Y72-S129 WeakPolarHBondContact O-CB 3.48Å; Y72-S129 PolarHBondContact O-OG 3.17Å
73D79.1Confident87.8Confident76 Ų7640.3 Ų40.341%0.40621%0.209SC..  trans-75.7127.9179.2-174.128.4000112T75 K121 T123 G127D73-T75 PolarHBondContact OD1-OG1 3.3Å; D73-T75 WeakPolarHBondContact OD2-CB 3.41Å; D73-T75 PolarHBondContact OD2-OG1 3.23Å; D73-K121 IonicContact OD1-NZ 2.63Å; D73-K121 PolarHBondContact OD1-NZ 3.37Å; D73-T123 HydrophobicContact CB-CG2 4.29Å; D73-T123 PolarHBondContact OD1-OG1 3.49Å; D73-G127 PolarHBondContact N-O 2.99Å
74Q71.6Confident87.9Confident1 Ų144.5 Ų44.51%0.00522%0.223CC..  trans-100.441.5-178.3-75.1-169.5-68.900112.2A70 Y72 D76 A77 K121 S129A70-Q74 HydrophobicContact CB-CG 3.94Å; Y72-Q74 HydrophobicContact CD2-CG 4.31Å; Y72-Q74 HydrophobicContact CE2-CG 4.03Å; Q74-D76 VanDerWaalsContact C-N 3.25Å; Q74-D76 PolarHBondContact O-N 2.83Å; Q74-A77 HydrophobicContact CB-CB 3.81Å; Q74-A77 HydrophobicContact CG-CB 4.03Å; Q74-A77 PolarHBondContact O-N 3.44Å; Q74-K121 HydrophobicContact CB-CD 4.22Å; Q74-S129 WeakPolarHBondContact CG-OG 3.42Å; Q74-S129 PolarHBondContact N-OG 3.31Å; Q74-S129 PolarHBondContact OE1-OG 3.49Å
75T59.8Low88.1Confident50 Ų5044.2 Ų44.231%0.30722%0.218SC..THydrogen-bonded Turntrans-59.1-30.6-171.6-74.50000114.7D73 K121D73-T75 PolarHBondContact OD1-OG1 3.3Å; D73-T75 WeakPolarHBondContact OD2-CB 3.41Å; D73-T75 PolarHBondContact OD2-OG1 3.23Å; T75-K121 PolarHBondContact OG1-NZ 3.43Å
76D62.7Low88.2Confident113 Ų11345.1 Ų45.160%0.60422%0.221SC*.THydrogen-bonded Turntrans-126.630.3176.9-56.8-53.5000112.6Q74Q74-D76 VanDerWaalsContact C-N 3.25Å; Q74-D76 PolarHBondContact O-N 2.83Å
77A79.4Confident88.2Confident9 Ų949.8 Ų49.87%0.07424%0.243CC..  trans-108.229.5-172.500000113Q74 K79 D80 V81Q74-A77 HydrophobicContact CB-CB 3.81Å; Q74-A77 HydrophobicContact CG-CB 4.03Å; Q74-A77 PolarHBondContact O-N 3.44Å; A77-K79 PolarHBondContact O-N 3.26Å; A77-D80 HydrophobicContact CB-CB 4.1Å; A77-D80 PolarHBondContact O-N 2.9Å; A77-D80 VanDerWaalsContact O-N 3.13Å; A77-V81 WeakPolarHBondContact O-CG2 3.5Å; A77-V81 PolarHBondContact O-N 3.48Å; A77-V81 VanDerWaalsContact O-N 3.07Å
78G87.3Confident88.2Confident0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-57.5-40.9-179.500000112.2A82G78-A82 PolarHBondContact O-N 3.5Å
79K90.8Very high88.4Confident109 Ų10951.4 Ų51.447%0.47425%0.25SC..Hα-helixtrans-61.1-49.1172.5-178.3175.2-176.9-59.60112.4A77 V81 A82 D83A77-K79 PolarHBondContact O-N 3.26Å; K79-V81 VanDerWaalsContact C-N 3.29Å; K79-V81 PolarHBondContact O-N 3.04Å; K79-A82 PolarHBondContact O-N 2.94Å; K79-A82 VanDerWaalsContact O-N 3.16Å; K79-D83 IonicContact NZ-OD2 3.88Å; K79-D83 PolarHBondContact NZ-OD2 2.93Å; K79-D83 WeakPolarHBondContact O-CB 3.35Å; K79-D83 VanDerWaalsContact O-CG 3.28Å; K79-D83 PolarHBondContact O-N 3.36Å
80D91.4Very high88.4Confident72 Ų7253.1 Ų53.139%0.38526%0.261SS..Hα-helixtrans-60.9-38.8-177.7-65.7-12.4000112.4A77 R84A77-D80 HydrophobicContact CB-CB 4.1Å; A77-D80 PolarHBondContact O-N 2.9Å; A77-D80 VanDerWaalsContact O-N 3.13Å; D80-R84 WeakPolarHBondContact O-CB 3.48Å; D80-R84 VanDerWaalsContact O-CG 3.25Å; D80-R84 WeakPolarHBondContact O-CG 3.3Å; D80-R84 PolarHBondContact O-N 2.86Å
81V94Very high88.6Confident0 Ų059.5 Ų59.50%029%0.29CS..Hα-helixtrans-64-48176174.90000110.7A68 A77 K79 D83 R84 W85 V131A68-V81 HydrophobicContact CB-CG1 4Å; A77-V81 WeakPolarHBondContact O-CG2 3.5Å; A77-V81 PolarHBondContact O-N 3.48Å; A77-V81 VanDerWaalsContact O-N 3.07Å; K79-V81 VanDerWaalsContact C-N 3.29Å; K79-V81 PolarHBondContact O-N 3.04Å; V81-D83 VanDerWaalsContact C-N 3.34Å; V81-D83 PolarHBondContact O-N 2.74Å; V81-R84 PolarHBondContact O-N 2.78Å; V81-W85 HydrophobicContact CG1-CD2 3.99Å; V81-W85 HydrophobicContact CG1-CE3 3.93Å; V81-W85 HydrophobicContact CG1-CH2 3.48Å; V81-W85 VanDerWaalsContact CG1-CH2 3.48Å; V81-W85 HydrophobicContact CG1-CZ2 3.55Å; V81-W85 HydrophobicContact CG1-CZ3 3.69Å; V81-W85 PolarHBondContact O-N 3.34Å; V81-V131 HydrophobicContact CG1-CG1 4.12Å; V81-V131 HydrophobicContact CG2-CG2 4.19Å
82A96.4Very high88.9Confident0 Ų056.3 Ų56.30%027%0.265CS..Hα-helixtrans-63.4-40.6178.800000111.9C16 G78 K79 W85 Y86 M109C16-A82 HydrophobicContact CB-CB 3.54Å; G78-A82 PolarHBondContact O-N 3.5Å; K79-A82 PolarHBondContact O-N 2.94Å; K79-A82 VanDerWaalsContact O-N 3.16Å; A82-W85 PolarHBondContact O-N 2.95Å; A82-Y86 WeakPolarHBondContact O-CB 3.41Å; A82-Y86 PolarHBondContact O-N 3.07Å; A82-M109 HydrophobicContact CB-CE 4.14Å; A82-M109 WeakPolarHBondContact O-CE 3.38Å
83D95.5Very high89.4Confident31 Ų3155 Ų5517%0.16627%0.266CS..Hα-helixtrans-63.2-49.4178-73.2-7.1000111Y20 K79 V81 W85 Y86 E87Y20-D83 WeakPolarHBondContact CE2-OD1 3.36Å; Y20-D83 PolarHBondContact OH-OD1 3.04Å; K79-D83 IonicContact NZ-OD2 3.88Å; K79-D83 PolarHBondContact NZ-OD2 2.93Å; K79-D83 WeakPolarHBondContact O-CB 3.35Å; K79-D83 VanDerWaalsContact O-CG 3.28Å; K79-D83 PolarHBondContact O-N 3.36Å; V81-D83 VanDerWaalsContact C-N 3.34Å; V81-D83 PolarHBondContact O-N 2.74Å; D83-W85 VanDerWaalsContact C-N 3.32Å; D83-W85 PolarHBondContact O-N 2.76Å; D83-Y86 CarbonylContact O-C 3.55Å; D83-Y86 WeakPolarHBondContact O-CA 3.43Å; D83-Y86 WeakPolarHBondContact O-CB 3.12Å; D83-Y86 PolarHBondContact O-N 3.28Å; D83-E87 WeakPolarHBondContact O-CG 3.22Å; D83-E87 PolarHBondContact O-N 3.06Å
84R95.1Very high90.1Very high99 Ų9954.8 Ų54.837%0.37426%0.261SS..Hα-helixtrans-56.4-44.1178-75.1173.7-168.816710.9112.6Y72 D80 V81 Y86 E87Y72-R84 PolarHBondContact OH-NH2 3.16Å; D80-R84 WeakPolarHBondContact O-CB 3.48Å; D80-R84 VanDerWaalsContact O-CG 3.25Å; D80-R84 WeakPolarHBondContact O-CG 3.3Å; D80-R84 PolarHBondContact O-N 2.86Å; V81-R84 PolarHBondContact O-N 2.78Å; R84-Y86 VanDerWaalsContact C-N 3.32Å; R84-E87 PolarHBondContact O-N 2.88Å
85W97.6Very high91.2Very high8 Ų859.4 Ų59.43%0.0329%0.294CS..Hα-helixtrans-65.2-36.9175.3-71.4-26.8000112.3H17 N66 L67 A68 V81 A82 D83 H105 F106 M109 V131 A133H17-W85 AromaticContact CE1-CE3 3.95Å; H17-W85 AromaticContact CE1-CZ3 3.89Å; N66-W85 HydrophobicContact CB-CD2 4.01Å; N66-W85 HydrophobicContact CB-CE3 4.26Å; N66-W85 HydrophobicContact CB-CH2 3.94Å; N66-W85 HydrophobicContact CB-CZ2 3.64Å; N66-W85 HydrophobicContact CB-CZ3 4.22Å; L67-W85 PolarHBondContact O-NE1 3.41Å; A68-W85 HydrophobicContact CB-CZ2 3.88Å; V81-W85 HydrophobicContact CG1-CD2 3.99Å; V81-W85 HydrophobicContact CG1-CE3 3.93Å; V81-W85 HydrophobicContact CG1-CH2 3.48Å; V81-W85 VanDerWaalsContact CG1-CH2 3.48Å; V81-W85 HydrophobicContact CG1-CZ2 3.55Å; V81-W85 HydrophobicContact CG1-CZ3 3.69Å; V81-W85 PolarHBondContact O-N 3.34Å; A82-W85 PolarHBondContact O-N 2.95Å; D83-W85 VanDerWaalsContact C-N 3.32Å; D83-W85 PolarHBondContact O-N 2.76Å; W85-H105 HydrophobicContact CB-CB 3.74Å; W85-H105 AromaticContact CD1-CD2 3.9Å; W85-H105 AromaticContact CD1-CG 3.43Å; W85-H105 VanDerWaalsContact CD1-CG 3.43Å; W85-H105 AromaticContact CD1-ND1 3.68Å; W85-H105 HydrophobicContact CG-CB 3.73Å; W85-H105 AromaticContact NE1-CD2 3.91Å; W85-H105 AromaticContact NE1-CG 3.92Å; W85-F106 WeakPolarHBondContact O-CA 3.38Å; W85-F106 WeakPolarHBondContact O-CB 3.49Å; W85-F106 PolarHBondContact O-N 2.93Å; W85-M109 HydrophobicContact CB-CG 4.35Å; W85-M109 HydrophobicContact CB-SD 3.33Å; W85-M109 WeakPolarHBondContact CB-SD 3.05Å; W85-M109 HydrophobicContact CE3-SD 4.41Å; W85-M109 HydrophobicContact CG-SD 4.44Å; W85-V131 HydrophobicContact CH2-CG1 4.15Å; W85-A133 HydrophobicContact CH2-CB 3.54Å; W85-A133 HydrophobicContact CZ3-CB 3.71Å
86Y98.1Very high92.9Very high33 Ų3363.9 Ų63.913%0.12931%0.311CS..Hα-helixtrans-72.1-31.7178.7-179.3-98.9000113.1Y20 H24 A82 D83 R84 E88 V89 F106Y20-Y86 AromaticContact CD1-CD1 3.54Å; Y20-Y86 HydrophobicContact CD1-CD1 3.54Å; Y20-Y86 AromaticContact CD1-CD2 3.39Å; Y20-Y86 HydrophobicContact CD1-CD2 3.39Å; Y20-Y86 AromaticContact CD1-CE1 3.49Å; Y20-Y86 HydrophobicContact CD1-CE1 3.49Å; Y20-Y86 VanDerWaalsContact CD1-CE1 3.49Å; Y20-Y86 AromaticContact CD1-CE2 3.31Å; Y20-Y86 HydrophobicContact CD1-CE2 3.31Å; Y20-Y86 AromaticContact CD1-CG 3.48Å; Y20-Y86 HydrophobicContact CD1-CG 3.48Å; Y20-Y86 VanDerWaalsContact CD1-CG 3.48Å; Y20-Y86 AromaticContact CD1-CZ 3.36Å; Y20-Y86 AromaticContact CD2-CD2 3.95Å; Y20-Y86 HydrophobicContact CD2-CD2 3.95Å; Y20-Y86 AromaticContact CD2-CG 3.87Å; Y20-Y86 HydrophobicContact CD2-CG 3.87Å; Y20-Y86 AromaticContact CE1-CD1 3.23Å; Y20-Y86 HydrophobicContact CE1-CD1 3.23Å; Y20-Y86 AromaticContact CE1-CD2 3.98Å; Y20-Y86 HydrophobicContact CE1-CD2 3.98Å; Y20-Y86 AromaticContact CE1-CE1 3.36Å; Y20-Y86 HydrophobicContact CE1-CE1 3.36Å; Y20-Y86 HydrophobicContact CE1-CE2 4.07Å; Y20-Y86 AromaticContact CE1-CG 3.55Å; Y20-Y86 HydrophobicContact CE1-CG 3.55Å; Y20-Y86 AromaticContact CE1-CZ 3.78Å; Y20-Y86 HydrophobicContact CE2-CD1 4.29Å; Y20-Y86 HydrophobicContact CE2-CD2 4.47Å; Y20-Y86 AromaticContact CE2-CG 3.94Å; Y20-Y86 HydrophobicContact CE2-CG 3.94Å; Y20-Y86 HydrophobicContact CG-CD1 4.2Å; Y20-Y86 AromaticContact CG-CD2 3.38Å; Y20-Y86 HydrophobicContact CG-CD2 3.38Å; Y20-Y86 HydrophobicContact CG-CE1 4.45Å; Y20-Y86 AromaticContact CG-CE2 3.67Å; Y20-Y86 HydrophobicContact CG-CE2 3.67Å; Y20-Y86 AromaticContact CG-CG 3.66Å; Y20-Y86 HydrophobicContact CG-CG 3.66Å; Y20-Y86 AromaticContact CZ-CD1 3.66Å; Y20-Y86 AromaticContact CZ-CG 3.79Å; H24-Y86 AromaticContact CD2-CE2 3.81Å; H24-Y86 AromaticContact NE2-CE2 3.43Å; H24-Y86 WeakPolarHBondContact NE2-CE2 3.24Å; H24-Y86 AromaticContact NE2-CZ 3.69Å; H24-Y86 PolarHBondContact NE2-OH 2.84Å; H24-Y86 VanDerWaalsContact NE2-OH 3.12Å; A82-Y86 WeakPolarHBondContact O-CB 3.41Å; A82-Y86 PolarHBondContact O-N 3.07Å; D83-Y86 CarbonylContact O-C 3.55Å; D83-Y86 WeakPolarHBondContact O-CA 3.43Å; D83-Y86 WeakPolarHBondContact O-CB 3.12Å; D83-Y86 PolarHBondContact O-N 3.28Å; R84-Y86 VanDerWaalsContact C-N 3.32Å; Y86-E88 PolarHBondContact O-N 3.21Å; Y86-V89 HydrophobicContact CD1-CG1 4.27Å; Y86-V89 HydrophobicContact CE1-CG1 3.9Å; Y86-V89 VanDerWaalsContact O-CB 3.3Å; Y86-V89 WeakPolarHBondContact O-CB 3.49Å; Y86-V89 WeakPolarHBondContact O-CG1 3.35Å; Y86-V89 PolarHBondContact O-N 2.92Å; Y86-F106 AromaticContact CD2-CD2 3.95Å; Y86-F106 HydrophobicContact CD2-CD2 3.95Å; Y86-F106 HydrophobicContact CD2-CE2 4.26Å; Y86-F106 HydrophobicContact CE2-CD2 4.17Å; Y86-F106 HydrophobicContact CE2-CE2 4.02Å
87E97.5Very high94.4Very high99 Ų9961 Ų6146%0.46330%0.298SS..Hα-helixtrans-57.8-23.1-178.5-73.2-161119.700113.9D83 R84 V89 K90D83-E87 WeakPolarHBondContact O-CG 3.22Å; D83-E87 PolarHBondContact O-N 3.06Å; R84-E87 PolarHBondContact O-N 2.88Å; E87-V89 PolarHBondContact O-N 3.29Å; E87-V89 VanDerWaalsContact O-N 3.09Å; E87-K90 WeakPolarHBondContact O-CB 3.3Å; E87-K90 VanDerWaalsContact O-CG 3.28Å; E87-K90 WeakPolarHBondContact O-CG 3.28Å; E87-K90 PolarHBondContact O-N 2.81Å; E87-K90 IonicContact OE1-NZ 2.7Å; E87-K90 PolarHBondContact OE1-NZ 3.01Å
88E97.8Very high95.2Very high31 Ų3161.7 Ų61.715%0.14531%0.307CS..G310 helixtrans-56.7-19.1171-68.4-172.2175.300113.8Y86 K90 Q91 Y92 G102 T103 G104 H105 F106Y86-E88 PolarHBondContact O-N 3.21Å; E88-K90 PolarHBondContact O-N 2.72Å; E88-K90 VanDerWaalsContact O-N 3.09Å; E88-Q91 PolarHBondContact O-N 3.06Å; E88-Y92 PolarHBondContact O-N 3.36Å; E88-G102 WeakPolarHBondContact CB-O 3.31Å; E88-G102 WeakPolarHBondContact CG-O 3.46Å; E88-T103 WeakPolarHBondContact OE2-CA 3.35Å; E88-G104 PolarHBondContact OE2-N 3.47Å; E88-H105 IonicContact OE1-CE1 4Å; E88-H105 IonicContact OE1-CG 3.91Å; E88-H105 IonicContact OE1-ND1 3.58Å; E88-H105 PolarHBondContact OE1-ND1 3.16Å; E88-H105 WeakPolarHBondContact OE2-CA 3.27Å; E88-H105 VanDerWaalsContact OE2-CB 3.3Å; E88-H105 WeakPolarHBondContact OE2-CB 3.08Å; E88-H105 IonicContact OE2-CG 3.74Å; E88-H105 PolarHBondContact OE2-N 3.13Å; E88-H105 IonicContact OE2-ND1 2.86Å; E88-F106 HydrophobicContact CB-CB 3.64Å; E88-F106 PolarHBondContact OE2-N 2.87Å; E88-F106 VanDerWaalsContact OE2-N 3.08Å
89V97.3Very high95.5Very high30 Ų3067.3 Ų67.318%0.18233%0.331CS..G310 helixtrans-52.8-30.717171.70000112.4Y86 E87 Q91 Y92 F94 F106Y86-V89 HydrophobicContact CD1-CG1 4.27Å; Y86-V89 HydrophobicContact CE1-CG1 3.9Å; Y86-V89 VanDerWaalsContact O-CB 3.3Å; Y86-V89 WeakPolarHBondContact O-CB 3.49Å; Y86-V89 WeakPolarHBondContact O-CG1 3.35Å; Y86-V89 PolarHBondContact O-N 2.92Å; E87-V89 PolarHBondContact O-N 3.29Å; E87-V89 VanDerWaalsContact O-N 3.09Å; V89-Q91 PolarHBondContact O-N 2.94Å; V89-Y92 PolarHBondContact O-N 2.83Å; V89-F94 HydrophobicContact CG2-CE2 4.22Å; V89-F94 HydrophobicContact CG2-CZ 4.07Å; V89-F106 HydrophobicContact CB-CD1 4.4Å; V89-F106 HydrophobicContact CB-CD2 3.71Å; V89-F106 HydrophobicContact CB-CE1 4.43Å; V89-F106 HydrophobicContact CB-CE2 3.73Å; V89-F106 HydrophobicContact CB-CG 4.07Å; V89-F106 HydrophobicContact CB-CZ 4.12Å; V89-F106 HydrophobicContact CG2-CD2 4.12Å; V89-F106 HydrophobicContact CG2-CE1 4.16Å; V89-F106 HydrophobicContact CG2-CE2 3.59Å; V89-F106 HydrophobicContact CG2-CZ 3.64Å
90K96.4Very high95.6Very high157 Ų15764.6 Ų64.668%0.68333%0.326SS*.G310 helixtrans-62.5-22.4177-62.4169.3-170.21660112.4E87 E88E87-K90 WeakPolarHBondContact O-CB 3.3Å; E87-K90 VanDerWaalsContact O-CG 3.28Å; E87-K90 WeakPolarHBondContact O-CG 3.28Å; E87-K90 PolarHBondContact O-N 2.81Å; E87-K90 IonicContact OE1-NZ 2.7Å; E87-K90 PolarHBondContact OE1-NZ 3.01Å; E88-K90 PolarHBondContact O-N 2.72Å; E88-K90 VanDerWaalsContact O-N 3.09Å
91Q96.4Very high95.4Very high138 Ų13867 Ų6765%0.64535%0.348SS*.G310 helixtrans-102.6-9-180-58.9-174.5-3.200113E88 V89 G102 T103E88-Q91 PolarHBondContact O-N 3.06Å; V89-Q91 PolarHBondContact O-N 2.94Å; Q91-G102 PolarHBondContact OE1-O 3.33Å; Q91-T103 HydrophobicContact CB-CG2 3.97Å
92Y97.1Very high95.3Very high15 Ų1567.8 Ų67.86%0.05936%0.357CS..  trans-84.1123.2-175.8-169.7-97.4000111.9E88 V89 F94 P97 G98 T103 F106 T107 F147 V151E88-Y92 PolarHBondContact O-N 3.36Å; V89-Y92 PolarHBondContact O-N 2.83Å; Y92-F94 AromaticContact CD1-CD1 3.74Å; Y92-F94 HydrophobicContact CD1-CD1 3.74Å; Y92-F94 HydrophobicContact CD1-CD2 4.01Å; Y92-F94 AromaticContact CD1-CE1 3.64Å; Y92-F94 HydrophobicContact CD1-CE1 3.64Å; Y92-F94 AromaticContact CD1-CE2 3.93Å; Y92-F94 HydrophobicContact CD1-CE2 3.93Å; Y92-F94 AromaticContact CD1-CG 3.92Å; Y92-F94 HydrophobicContact CD1-CG 3.92Å; Y92-F94 AromaticContact CD1-CZ 3.74Å; Y92-F94 HydrophobicContact CD1-CZ 3.74Å; Y92-F94 AromaticContact CE1-CD1 3.66Å; Y92-F94 HydrophobicContact CE1-CD1 3.66Å; Y92-F94 AromaticContact CE1-CE1 3.8Å; Y92-F94 HydrophobicContact CE1-CE1 3.8Å; Y92-F94 HydrophobicContact CE1-CG 4.11Å; Y92-F94 HydrophobicContact CE1-CZ 4.37Å; Y92-F94 PolarHBondContact O-N 3.38Å; Y92-P97 WeakPolarHBondContact OH-CA 3.34Å; Y92-P97 WeakPolarHBondContact OH-CB 3.38Å; Y92-G98 WeakPolarHBondContact CE2-O 3.37Å; Y92-G98 PolarHBondContact OH-N 3.03Å; Y92-T103 HydrophobicContact CD2-CG2 3.98Å; Y92-T103 HydrophobicContact CG-CG2 4.46Å; Y92-F106 AromaticContact CD1-CE1 3.92Å; Y92-F106 HydrophobicContact CD1-CE1 3.92Å; Y92-F106 HydrophobicContact CD2-CD1 4.36Å; Y92-F106 HydrophobicContact CD2-CE1 4.29Å; Y92-F106 HydrophobicContact CG-CD1 4.12Å; Y92-F106 AromaticContact CG-CE1 3.76Å; Y92-F106 HydrophobicContact CG-CE1 3.76Å; Y92-T107 HydrophobicContact CD2-CG2 3.7Å; Y92-T107 HydrophobicContact CE2-CG2 3.42Å; Y92-T107 VanDerWaalsContact CE2-CG2 3.42Å; Y92-F147 HydrophobicContact CE2-CD1 4.29Å; Y92-V151 HydrophobicContact CD1-CG1 4.21Å; Y92-V151 HydrophobicContact CE1-CB 4.33Å; Y92-V151 HydrophobicContact CE1-CG1 3.61Å; Y92-V151 HydrophobicContact CE2-CG1 4.37Å
93N95.6Very high95.3Very high84 Ų8467.9 Ų67.945%0.44936%0.357SS..  trans-91.9100.5177-171.6-15.6000110.8S95 H96N93-S95 PolarHBondContact O-N 2.97Å; N93-S95 WeakPolarHBondContact OD1-CB 3.41Å; N93-S95 PolarHBondContact OD1-N 3Å; N93-H96 HydrophobicContact CB-CB 4.44Å; N93-H96 PolarHBondContact ND2-ND1 3.43Å; N93-H96 CarbonylContact O-C 3.54Å; N93-H96 PolarHBondContact O-N 3.48Å; N93-H96 PolarHBondContact OD1-N 3.26Å
94F95.4Very high95.3Very high71 Ų7166.9 Ų66.931%0.31135%0.354SS..THydrogen-bonded Turntrans-64.4-21.3178.6-66.3-85.2000114V89 Y92 H96 F106 V151 L152 P153V89-F94 HydrophobicContact CG2-CE2 4.22Å; V89-F94 HydrophobicContact CG2-CZ 4.07Å; Y92-F94 AromaticContact CD1-CD1 3.74Å; Y92-F94 HydrophobicContact CD1-CD1 3.74Å; Y92-F94 HydrophobicContact CD1-CD2 4.01Å; Y92-F94 AromaticContact CD1-CE1 3.64Å; Y92-F94 HydrophobicContact CD1-CE1 3.64Å; Y92-F94 AromaticContact CD1-CE2 3.93Å; Y92-F94 HydrophobicContact CD1-CE2 3.93Å; Y92-F94 AromaticContact CD1-CG 3.92Å; Y92-F94 HydrophobicContact CD1-CG 3.92Å; Y92-F94 AromaticContact CD1-CZ 3.74Å; Y92-F94 HydrophobicContact CD1-CZ 3.74Å; Y92-F94 AromaticContact CE1-CD1 3.66Å; Y92-F94 HydrophobicContact CE1-CD1 3.66Å; Y92-F94 AromaticContact CE1-CE1 3.8Å; Y92-F94 HydrophobicContact CE1-CE1 3.8Å; Y92-F94 HydrophobicContact CE1-CG 4.11Å; Y92-F94 HydrophobicContact CE1-CZ 4.37Å; Y92-F94 PolarHBondContact O-N 3.38Å; F94-H96 VanDerWaalsContact C-N 3.34Å; F94-F106 HydrophobicContact CE1-CZ 4.29Å; F94-F106 HydrophobicContact CZ-CE1 4.17Å; F94-F106 AromaticContact CZ-CZ 3.86Å; F94-F106 HydrophobicContact CZ-CZ 3.86Å; F94-V151 HydrophobicContact CE1-CG1 4.17Å; F94-L152 WeakPolarHBondContact CE1-O 3.47Å; F94-P153 HydrophobicContact CD1-CB 4.02Å; F94-P153 HydrophobicContact CE1-CB 4.32Å; F94-P153 HydrophobicContact CG-CB 4.23Å
95S94.9Very high95.5Very high99 Ų9964.5 Ų64.569%0.69235%0.347SS*.THydrogen-bonded Turntrans-79.9-17.2174.6-550000113.1N93N93-S95 PolarHBondContact O-N 2.97Å; N93-S95 WeakPolarHBondContact OD1-CB 3.41Å; N93-S95 PolarHBondContact OD1-N 3Å
96H94.6Very high95.5Very high144 Ų14464.1 Ų64.167%0.66735%0.346SS*.SBendtrans-13168.7176.3-62.684.6000109.1N93 F94 G98N93-H96 HydrophobicContact CB-CB 4.44Å; N93-H96 PolarHBondContact ND2-ND1 3.43Å; N93-H96 CarbonylContact O-C 3.54Å; N93-H96 PolarHBondContact O-N 3.48Å; N93-H96 PolarHBondContact OD1-N 3.26Å; F94-H96 VanDerWaalsContact C-N 3.34Å; H96-G98 PolarHBondContact O-N 3.04Å
97P95Very high95.5Very high51 Ų5162.5 Ų62.533%0.33134%0.34SS..  trans-66.8135-171.828.2-35.1000111.2Y92 F147 E148Y92-P97 WeakPolarHBondContact OH-CA 3.34Å; Y92-P97 WeakPolarHBondContact OH-CB 3.38Å; P97-F147 HydrophobicContact CB-CB 3.99Å; P97-E148 HydrophobicContact CB-CB 4.45Å; P97-E148 HydrophobicContact CG-CB 4.01Å
98G94.3Very high95.5Very high25 Ų2558 Ų5826%0.25832%0.319SS..  trans170.9177.3-178.500000112.7Y92 H96 F147Y92-G98 WeakPolarHBondContact CE2-O 3.37Å; Y92-G98 PolarHBondContact OH-N 3.03Å; H96-G98 PolarHBondContact O-N 3.04Å; G98-F147 WeakPolarHBondContact O-CD1 3.27Å; G98-F147 WeakPolarHBondContact O-CE1 3.33Å
99F94.1Very high95.6Very high118 Ų11856.5 Ų56.552%0.51831%0.312SS..  trans-78.9137.4176.7-179.5-100.1000111.2T142 F147F99-T142 HydrophobicContact CB-CG2 3.97Å; F99-F147 HydrophobicContact CB-CE1 4.36Å; F99-F147 HydrophobicContact CB-CE2 4.14Å; F99-F147 HydrophobicContact CB-CZ 3.65Å; F99-F147 HydrophobicContact CD2-CZ 4.31Å; F99-F147 HydrophobicContact CG-CZ 4.5Å
100S93.1Very high95.6Very high51 Ų5155.1 Ų55.136%0.35730%0.304SS..  trans-140.8153.916273.80000110.3G102 T103 G104S100-G102 PolarHBondContact O-N 2.98Å; S100-T103 PolarHBondContact N-OG1 3.38Å; S100-T103 PolarHBondContact O-N 2.77Å; S100-T103 PolarHBondContact O-OG1 3.47Å; S100-T103 WeakPolarHBondContact OG-CB 3.4Å; S100-T103 VanDerWaalsContact OG-CG2 3.26Å; S100-T103 WeakPolarHBondContact OG-CG2 3.24Å; S100-T103 PolarHBondContact OG-OG1 2.87Å; S100-G104 PolarHBondContact O-N 3.19Å
101S87.2Confident95.7Very high122 Ų12247.8 Ų47.885%0.85327%0.272SS*.THydrogen-bonded Turntrans-62.8-15.8-17655.60000114.4
102G92.3Very high95.8Very high18 Ų1845.3 Ų45.319%0.18626%0.259CS..THydrogen-bonded Turntrans-106.17.2176.800000114.7E88 Q91 S100E88-G102 WeakPolarHBondContact CB-O 3.31Å; E88-G102 WeakPolarHBondContact CG-O 3.46Å; Q91-G102 PolarHBondContact OE1-O 3.33Å; S100-G102 PolarHBondContact O-N 2.98Å
103T96.4Very high95.9Very high1 Ų147.2 Ų47.21%0.00628%0.275CS..THydrogen-bonded Turntrans-129.2-0.7-179.464.50000114.1E88 Q91 Y92 S100 H105 F106 T107E88-T103 WeakPolarHBondContact OE2-CA 3.35Å; Q91-T103 HydrophobicContact CB-CG2 3.97Å; Y92-T103 HydrophobicContact CD2-CG2 3.98Å; Y92-T103 HydrophobicContact CG-CG2 4.46Å; S100-T103 PolarHBondContact N-OG1 3.38Å; S100-T103 PolarHBondContact O-N 2.77Å; S100-T103 PolarHBondContact O-OG1 3.47Å; S100-T103 WeakPolarHBondContact OG-CB 3.4Å; S100-T103 VanDerWaalsContact OG-CG2 3.26Å; S100-T103 WeakPolarHBondContact OG-CG2 3.24Å; S100-T103 PolarHBondContact OG-OG1 2.87Å; T103-H105 VanDerWaalsContact C-N 3.3Å; T103-H105 PolarHBondContact O-N 3.18Å; T103-F106 PolarHBondContact O-N 3.23Å; T103-T107 WeakPolarHBondContact O-CB 3.46Å; T103-T107 VanDerWaalsContact O-CG2 3.27Å; T103-T107 WeakPolarHBondContact O-CG2 3.4Å; T103-T107 PolarHBondContact O-N 3.5Å; T103-T107 PolarHBondContact O-OG1 3.36Å
104G95.9Very high96Very high10 Ų1043.2 Ų43.210%0.10325%0.253CS..Hα-helixtrans-61-36.3-176.500000113.2E88 S100 T107 A108 N140E88-G104 PolarHBondContact OE2-N 3.47Å; S100-G104 PolarHBondContact O-N 3.19Å; G104-T107 WeakPolarHBondContact CA-OG1 3.27Å; G104-T107 PolarHBondContact O-OG1 3.49Å; G104-T107 VanDerWaalsContact O-OG1 3.08Å; G104-A108 WeakPolarHBondContact O-CB 3.43Å; G104-A108 PolarHBondContact O-N 3.42Å; G104-A108 VanDerWaalsContact O-N 3.14Å; G104-N140 PolarHBondContact O-ND2 3.36Å
105H97.9Very high96.2Very high49 Ų4944.8 Ų44.823%0.22726%0.26CS..Hα-helixtrans-72.9-47.9-179.7-57.4128000111.2N66 W85 E88 T103 T107 A108 M109N66-H105 VanDerWaalsContact CG-CD2 3.49Å; N66-H105 WeakPolarHBondContact ND2-CA 3.39Å; N66-H105 PolarHBondContact ND2-O 3.11Å; N66-H105 PolarHBondContact OD1-CD2 3.13Å; W85-H105 HydrophobicContact CB-CB 3.74Å; W85-H105 AromaticContact CD1-CD2 3.9Å; W85-H105 AromaticContact CD1-CG 3.43Å; W85-H105 VanDerWaalsContact CD1-CG 3.43Å; W85-H105 AromaticContact CD1-ND1 3.68Å; W85-H105 HydrophobicContact CG-CB 3.73Å; W85-H105 AromaticContact NE1-CD2 3.91Å; W85-H105 AromaticContact NE1-CG 3.92Å; E88-H105 IonicContact OE1-CE1 4Å; E88-H105 IonicContact OE1-CG 3.91Å; E88-H105 IonicContact OE1-ND1 3.58Å; E88-H105 PolarHBondContact OE1-ND1 3.16Å; E88-H105 WeakPolarHBondContact OE2-CA 3.27Å; E88-H105 VanDerWaalsContact OE2-CB 3.3Å; E88-H105 WeakPolarHBondContact OE2-CB 3.08Å; E88-H105 IonicContact OE2-CG 3.74Å; E88-H105 PolarHBondContact OE2-N 3.13Å; E88-H105 IonicContact OE2-ND1 2.86Å; T103-H105 VanDerWaalsContact C-N 3.3Å; T103-H105 PolarHBondContact O-N 3.18Å; H105-T107 PolarHBondContact O-N 3.03Å; H105-A108 PolarHBondContact O-N 2.89Å; H105-M109 WeakPolarHBondContact O-CG 3.38Å; H105-M109 PolarHBondContact O-N 3.5Å
106F98.5Very high96.3Very high0 Ų044.9 Ų44.90%025%0.248CC..Hα-helixtrans-56.5-50.7176.3156.7-106.5000111.1H24 W85 Y86 E88 V89 Y92 F94 T103 A108 M109 V110 V151H24-F106 AromaticContact CE1-CE2 3.68Å; H24-F106 AromaticContact CE1-CZ 3.68Å; H24-F106 AromaticContact NE2-CE2 3.72Å; W85-F106 WeakPolarHBondContact O-CA 3.38Å; W85-F106 WeakPolarHBondContact O-CB 3.49Å; W85-F106 PolarHBondContact O-N 2.93Å; Y86-F106 AromaticContact CD2-CD2 3.95Å; Y86-F106 HydrophobicContact CD2-CD2 3.95Å; Y86-F106 HydrophobicContact CD2-CE2 4.26Å; Y86-F106 HydrophobicContact CE2-CD2 4.17Å; Y86-F106 HydrophobicContact CE2-CE2 4.02Å; E88-F106 HydrophobicContact CB-CB 3.64Å; E88-F106 PolarHBondContact OE2-N 2.87Å; E88-F106 VanDerWaalsContact OE2-N 3.08Å; V89-F106 HydrophobicContact CB-CD1 4.4Å; V89-F106 HydrophobicContact CB-CD2 3.71Å; V89-F106 HydrophobicContact CB-CE1 4.43Å; V89-F106 HydrophobicContact CB-CE2 3.73Å; V89-F106 HydrophobicContact CB-CG 4.07Å; V89-F106 HydrophobicContact CB-CZ 4.12Å; V89-F106 HydrophobicContact CG2-CD2 4.12Å; V89-F106 HydrophobicContact CG2-CE1 4.16Å; V89-F106 HydrophobicContact CG2-CE2 3.59Å; V89-F106 HydrophobicContact CG2-CZ 3.64Å; Y92-F106 AromaticContact CD1-CE1 3.92Å; Y92-F106 HydrophobicContact CD1-CE1 3.92Å; Y92-F106 HydrophobicContact CD2-CD1 4.36Å; Y92-F106 HydrophobicContact CD2-CE1 4.29Å; Y92-F106 HydrophobicContact CG-CD1 4.12Å; Y92-F106 AromaticContact CG-CE1 3.76Å; Y92-F106 HydrophobicContact CG-CE1 3.76Å; F94-F106 HydrophobicContact CE1-CZ 4.29Å; F94-F106 HydrophobicContact CZ-CE1 4.17Å; F94-F106 AromaticContact CZ-CZ 3.86Å; F94-F106 HydrophobicContact CZ-CZ 3.86Å; T103-F106 PolarHBondContact O-N 3.23Å; F106-A108 VanDerWaalsContact C-N 3.3Å; F106-A108 PolarHBondContact O-N 2.81Å; F106-M109 WeakPolarHBondContact O-CB 3.33Å; F106-M109 PolarHBondContact O-N 3.19Å; F106-M109 VanDerWaalsContact O-N 3.09Å; F106-V110 HydrophobicContact CD2-CG1 4.17Å; F106-V110 HydrophobicContact CD2-CG2 4.27Å; F106-V110 HydrophobicContact CE1-CG2 4.25Å; F106-V110 HydrophobicContact CE2-CB 4.36Å; F106-V110 HydrophobicContact CE2-CG1 3.75Å; F106-V110 HydrophobicContact CE2-CG2 3.69Å; F106-V110 HydrophobicContact CZ-CG2 3.67Å; F106-V110 WeakPolarHBondContact O-CG2 3.47Å; F106-V110 PolarHBondContact O-N 3.33Å; F106-V110 VanDerWaalsContact O-N 3.1Å; F106-V151 HydrophobicContact CE1-CG1 3.62Å; F106-V151 HydrophobicContact CZ-CG1 3.96Å
107T98.3Very high96.5Very high0 Ų038 Ų380%022%0.216CC..Hα-helixtrans-61.4-38-177.648.10000112Y92 T103 G104 H105 W111 N140 F147 V151Y92-T107 HydrophobicContact CD2-CG2 3.7Å; Y92-T107 HydrophobicContact CE2-CG2 3.42Å; Y92-T107 VanDerWaalsContact CE2-CG2 3.42Å; T103-T107 WeakPolarHBondContact O-CB 3.46Å; T103-T107 VanDerWaalsContact O-CG2 3.27Å; T103-T107 WeakPolarHBondContact O-CG2 3.4Å; T103-T107 PolarHBondContact O-N 3.5Å; T103-T107 PolarHBondContact O-OG1 3.36Å; G104-T107 WeakPolarHBondContact CA-OG1 3.27Å; G104-T107 PolarHBondContact O-OG1 3.49Å; G104-T107 VanDerWaalsContact O-OG1 3.08Å; H105-T107 PolarHBondContact O-N 3.03Å; T107-W111 WeakPolarHBondContact O-CB 3.33Å; T107-W111 PolarHBondContact O-N 2.86Å; T107-N140 VanDerWaalsContact CB-OD1 3.31Å; T107-N140 WeakPolarHBondContact CB-OD1 3.39Å; T107-N140 PolarHBondContact OG1-ND2 3.26Å; T107-N140 PolarHBondContact OG1-OD1 2.62Å; T107-F147 HydrophobicContact CG2-CD1 4.23Å; T107-F147 HydrophobicContact CG2-CE1 3.92Å; T107-V151 HydrophobicContact CG2-CG1 4.05Å; T107-V151 HydrophobicContact CG2-CG2 3.96Å
108A98.1Very high96.6Very high4 Ų435.6 Ų35.63%0.03320%0.2CC..Hα-helixtrans-65.3-40.8173.900000112.8N66 G104 H105 F106 Y135 N140N66-A108 WeakPolarHBondContact OD1-CB 3.38Å; G104-A108 WeakPolarHBondContact O-CB 3.43Å; G104-A108 PolarHBondContact O-N 3.42Å; G104-A108 VanDerWaalsContact O-N 3.14Å; H105-A108 PolarHBondContact O-N 2.89Å; F106-A108 VanDerWaalsContact C-N 3.3Å; F106-A108 PolarHBondContact O-N 2.81Å; A108-Y135 HydrophobicContact CB-CD2 4.19Å; A108-Y135 HydrophobicContact CB-CE2 4.04Å; A108-N140 PolarHBondContact N-OD1 2.95Å
109M98.5Very high96.8Very high0 Ų034.6 Ų34.60%019%0.189CC..Hα-helixtrans-61.3-47.1178.5-70.117972.300112Y20 R21 A82 W85 H105 F106Y20-M109 HydrophobicContact CD2-CE 3.87Å; R21-M109 WeakPolarHBondContact CD-O 3.37Å; R21-M109 VanDerWaalsContact CG-O 3.29Å; R21-M109 WeakPolarHBondContact CG-O 3.4Å; R21-M109 PolarHBondContact NH1-O 3.45Å; A82-M109 HydrophobicContact CB-CE 4.14Å; A82-M109 WeakPolarHBondContact O-CE 3.38Å; W85-M109 HydrophobicContact CB-CG 4.35Å; W85-M109 HydrophobicContact CB-SD 3.33Å; W85-M109 WeakPolarHBondContact CB-SD 3.05Å; W85-M109 HydrophobicContact CE3-SD 4.41Å; W85-M109 HydrophobicContact CG-SD 4.44Å; H105-M109 WeakPolarHBondContact O-CG 3.38Å; H105-M109 PolarHBondContact O-N 3.5Å; F106-M109 WeakPolarHBondContact O-CB 3.33Å; F106-M109 PolarHBondContact O-N 3.19Å; F106-M109 VanDerWaalsContact O-N 3.09Å
110V98.4Very high96.8Very high0 Ų029.1 Ų29.10%017%0.166CC..Hα-helixtrans-91.6-0.3-173.8-56.20000114H24 A26 F106 K112 V151H24-V110 HydrophobicContact CB-CB 3.94Å; H24-V110 HydrophobicContact CB-CG1 4.03Å; A26-V110 VanDerWaalsContact CB-O 3.32Å; A26-V110 WeakPolarHBondContact CB-O 3.35Å; F106-V110 HydrophobicContact CD2-CG1 4.17Å; F106-V110 HydrophobicContact CD2-CG2 4.27Å; F106-V110 HydrophobicContact CE1-CG2 4.25Å; F106-V110 HydrophobicContact CE2-CB 4.36Å; F106-V110 HydrophobicContact CE2-CG1 3.75Å; F106-V110 HydrophobicContact CE2-CG2 3.69Å; F106-V110 HydrophobicContact CZ-CG2 3.67Å; F106-V110 WeakPolarHBondContact O-CG2 3.47Å; F106-V110 PolarHBondContact O-N 3.33Å; F106-V110 VanDerWaalsContact O-N 3.1Å; V110-K112 PolarHBondContact O-N 3.06Å; V110-V151 HydrophobicContact CG2-CG1 3.91Å
111W98.6Very high96.8Very high3 Ų329 Ų291%0.01116%0.159CC..  trans-53.7110.6-178-161.9-98.5000112.2R21 T107 S113 S114 G139 N140 I141 H146 F147 N150 V151R21-W111 PolarHBondContact NH1-O 2.84Å; R21-W111 PolarHBondContact NH2-O 2.89Å; T107-W111 WeakPolarHBondContact O-CB 3.33Å; T107-W111 PolarHBondContact O-N 2.86Å; W111-S113 VanDerWaalsContact C-N 3.28Å; W111-S113 PolarHBondContact O-N 2.76Å; W111-S114 WeakPolarHBondContact O-CB 3.2Å; W111-S114 PolarHBondContact O-N 3.39Å; W111-S114 VanDerWaalsContact O-N 3.12Å; W111-G139 VanDerWaalsContact CD2-CA 3.48Å; W111-G139 VanDerWaalsContact CG-CA 3.5Å; W111-N140 VanDerWaalsContact CZ3-N 3.34Å; W111-I141 HydrophobicContact CZ2-CB 4.27Å; W111-I141 HydrophobicContact CZ2-CG1 4.48Å; W111-H146 HydrophobicContact CH2-CB 3.99Å; W111-H146 HydrophobicContact CZ2-CB 4.09Å; W111-F147 HydrophobicContact CH2-CD2 4.14Å; W111-F147 HydrophobicContact CH2-CE2 4.28Å; W111-F147 HydrophobicContact CH2-CG 4.34Å; W111-F147 AromaticContact CZ3-CD1 3.99Å; W111-F147 HydrophobicContact CZ3-CD1 3.99Å; W111-F147 HydrophobicContact CZ3-CD2 4.24Å; W111-F147 HydrophobicContact CZ3-CE1 4.05Å; W111-F147 HydrophobicContact CZ3-CE2 4.29Å; W111-F147 HydrophobicContact CZ3-CG 4.09Å; W111-F147 HydrophobicContact CZ3-CZ 4.19Å; W111-N150 HydrophobicContact CD2-CB 3.4Å; W111-N150 VanDerWaalsContact CE2-CB 3.4Å; W111-N150 VanDerWaalsContact CE2-CG 3.4Å; W111-N150 HydrophobicContact CE3-CB 3.7Å; W111-N150 HydrophobicContact CG-CB 3.92Å; W111-N150 HydrophobicContact CH2-CB 4.01Å; W111-N150 HydrophobicContact CZ2-CB 3.74Å; W111-N150 HydrophobicContact CZ3-CB 3.99Å; W111-N150 PolarHBondContact NE1-OD1 2.88Å; W111-V151 HydrophobicContact CE3-CG2 3.73Å; W111-V151 HydrophobicContact CZ3-CG2 3.87Å
112K98.4Very high97.2Very high86 Ų8623.7 Ų23.737%0.37412%0.123SC..THydrogen-bonded Turntrans-56.7-37.3-171.2-172.2179179.6179.80113.9V110 K115 N150 L152V110-K112 PolarHBondContact O-N 3.06Å; K112-K115 PolarHBondContact O-NZ 3Å; K112-N150 HydrophobicContact CB-CB 4.33Å; K112-N150 PolarHBondContact N-O 3.17Å; K112-L152 HydrophobicContact CD-CD1 4.21Å
113S98.2Very high97.2Very high56 Ų5625.9 Ų25.939%0.39213%0.133SC..THydrogen-bonded Turntrans-77.9-20.2-177.5-62.50000113.9W111 K115 N150W111-S113 VanDerWaalsContact C-N 3.28Å; W111-S113 PolarHBondContact O-N 2.76Å; S113-K115 VanDerWaalsContact O-CE 3.24Å; S113-K115 WeakPolarHBondContact O-CE 3.39Å; S113-K115 WeakPolarHBondContact O-CG 3.45Å; S113-N150 WeakPolarHBondContact CB-OD1 3.48Å; S113-N150 PolarHBondContact N-OD1 2.93Å; S113-N150 PolarHBondContact OG-OD1 2.89Å
114S98.6Very high97.2Very high0 Ų026.2 Ų26.20%014%0.135CC..  trans-63.8136.3175.5-60.70000110.2R21 L29 W111 P137R21-S114 PolarHBondContact NH2-O 2.98Å; L29-S114 VanDerWaalsContact CD2-C 3.43Å; L29-S114 VanDerWaalsContact CD2-O 3.23Å; L29-S114 WeakPolarHBondContact CD2-O 3.31Å; W111-S114 WeakPolarHBondContact O-CB 3.2Å; W111-S114 PolarHBondContact O-N 3.39Å; W111-S114 VanDerWaalsContact O-N 3.12Å; S114-P137 PolarHBondContact OG-O 2.68Å; S114-P137 VanDerWaalsContact OG-O 3.12Å
115K98.4Very high97.1Very high103 Ų10331.6 Ų31.645%0.44817%0.171SC..  trans-120.4-29.4-174.6-55.9-55176.9-162.40113.7L29 K30 K112 S113 F136L29-K115 WeakPolarHBondContact CA-O 3.46Å; K30-K115 PolarHBondContact N-O 3.38Å; K112-K115 PolarHBondContact O-NZ 3Å; S113-K115 VanDerWaalsContact O-CE 3.24Å; S113-K115 WeakPolarHBondContact O-CE 3.39Å; S113-K115 WeakPolarHBondContact O-CG 3.45Å; K115-F136 PolarHBondContact N-O 3.48Å
116K98.4Very high96.8Very high102 Ų10233.7 Ų33.744%0.44318%0.184SC..EExtended strand (participates in β ladder)trans-124.2143.9-176-61.8-179.3-178.1177.60110.8K30 L35 Y135 F136K30-K116 VanDerWaalsContact O-CA 3.27Å; K30-K116 WeakPolarHBondContact O-CA 3.31Å; L35-K116 HydrophobicContact CD1-CB 3.9Å; K116-Y135 WeakPolarHBondContact O-CA 3.48Å; K116-F136 HydrophobicContact CB-CB 4.34Å; K116-F136 PolarHBondContact N-O 3.11Å; K116-F136 PolarHBondContact O-N 3.03Å
117L98.6Very high96.5Very high0 Ų035.2 Ų35.20%020%0.2CC..EExtended strand (participates in β ladder)trans-118.9136.4172.1177.861.9000109V13 L14 L29 K30 L31 S32 A133 R134 Y135V13-L117 HydrophobicContact CG1-CD2 4.2Å; L14-L117 HydrophobicContact CB-CD2 4.29Å; L14-L117 HydrophobicContact CD1-CB 4.24Å; L14-L117 HydrophobicContact CD1-CD2 3.9Å; L29-L117 HydrophobicContact CB-CB 4.17Å; L29-L117 HydrophobicContact CD1-CB 4.01Å; K30-L117 PolarHBondContact O-N 3.06Å; L31-L117 CarbonylContact C-O 3.55Å; L31-L117 WeakPolarHBondContact CA-O 3.35Å; S32-L117 PolarHBondContact N-O 3.5Å; L117-A133 HydrophobicContact CD1-CB 4.08Å; L117-R134 CarbonylContact C-O 3.58Å; L117-R134 WeakPolarHBondContact CA-O 3.44Å; L117-Y135 HydrophobicContact CD1-CD1 3.92Å; L117-Y135 HydrophobicContact CD1-CE1 3.54Å
118G97.3Very high96.3Very high0 Ų035.3 Ų35.30%020%0.201CC..EExtended strand (participates in β ladder)trans-123.5145.6157.300000109.5S36 A133 R134S36-G118 WeakPolarHBondContact OG-CA 3.4Å; G118-A133 CarbonylContact O-C 3.57Å; G118-A133 VanDerWaalsContact O-CA 3.31Å; G118-A133 WeakPolarHBondContact O-CA 3.47Å; G118-R134 PolarHBondContact N-O 2.75Å; G118-R134 PolarHBondContact O-N 3.48Å
119V96.9Very high96.1Very high4 Ų435.1 Ų35.12%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-140.2144.2177.367.60000109.7F9 A10 V13 S36 V131 V132 A133F9-V119 HydrophobicContact CD1-CG1 4.44Å; F9-V119 HydrophobicContact CE1-CG1 4.37Å; F9-V119 HydrophobicContact CE1-CG2 3.76Å; F9-V119 HydrophobicContact CZ-CG2 4.48Å; A10-V119 HydrophobicContact CB-CG1 3.58Å; V13-V119 HydrophobicContact CB-CG1 4.28Å; V13-V119 HydrophobicContact CG1-CB 4.44Å; V13-V119 HydrophobicContact CG1-CG1 4.37Å; V13-V119 HydrophobicContact CG1-CG2 4.25Å; V13-V119 HydrophobicContact CG2-CG2 4.44Å; S36-V119 WeakPolarHBondContact CB-O 3.4Å; S36-V119 PolarHBondContact OG-N 3.12Å; S36-V119 PolarHBondContact OG-O 2.85Å; V119-V131 HydrophobicContact CG2-CG1 3.86Å; V119-V132 CarbonylContact C-O 3.24Å; V119-V132 VanDerWaalsContact CA-O 3.27Å; V119-V132 WeakPolarHBondContact CA-O 2.87Å; V119-V132 WeakPolarHBondContact CG2-O 3.26Å; V119-A133 HydrophobicContact CG2-CB 4.38Å
120G94.8Very high95.9Very high2 Ų235.2 Ų35.22%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-145.2151.617600000111.1V131 V132G120-V131 WeakPolarHBondContact O-CA 3.47Å; G120-V132 PolarHBondContact N-O 3Å; G120-V132 PolarHBondContact O-N 3.21Å
121K94Very high95.8Very high48 Ų4835.2 Ų35.221%0.20920%0.199CC..EExtended strand (participates in β ladder)trans-130.9144.8-179.9-178-178.376.5113.50109.2F9 D73 Q74 T75 F130 V131F9-K121 HydrophobicContact CD1-CB 4.49Å; F9-K121 HydrophobicContact CE1-CB 4.06Å; F9-K121 HydrophobicContact CE2-CD 4.42Å; F9-K121 HydrophobicContact CZ-CB 4.34Å; F9-K121 HydrophobicContact CZ-CD 4.48Å; D73-K121 IonicContact OD1-NZ 2.63Å; D73-K121 PolarHBondContact OD1-NZ 3.37Å; Q74-K121 HydrophobicContact CB-CD 4.22Å; T75-K121 PolarHBondContact OG1-NZ 3.43Å; K121-F130 CarbonylContact C-O 3.53Å; K121-F130 VanDerWaalsContact CA-O 3.26Å; K121-F130 WeakPolarHBondContact CA-O 3.45Å; K121-V131 HydrophobicContact CB-CG2 4.16Å; K121-V131 HydrophobicContact CD-CG2 4.29Å; K121-V131 HydrophobicContact CG-CG2 3.9Å
122A93.9Very high95.7Very high12 Ų1235.1 Ų35.110%0.09920%0.199CC..EExtended strand (participates in β ladder)trans-136.8147.4165.700000110.3A43 E44 A47 S129 F130A43-A122 VanDerWaalsContact C-CB 3.43Å; A43-A122 HydrophobicContact CB-CB 3.94Å; A43-A122 WeakPolarHBondContact O-CB 2.97Å; E44-A122 HydrophobicContact CB-CB 4.42Å; E44-A122 HydrophobicContact CG-CB 4.02Å; A47-A122 HydrophobicContact CB-CB 3.8Å; A122-S129 WeakPolarHBondContact O-CA 3.34Å; A122-F130 PolarHBondContact N-O 3.08Å; A122-F130 PolarHBondContact O-N 2.95Å
123T94Very high95.7Very high64 Ų6431 Ų3139%0.39318%0.181SC..EExtended strand (participates in β ladder)trans-107.5129.6175.6-52.20000108D73 S128D73-T123 HydrophobicContact CB-CG2 4.29Å; D73-T123 PolarHBondContact OD1-OG1 3.49Å; T123-S128 CarbonylContact C-O 3.48Å; T123-S128 WeakPolarHBondContact CA-O 3.48Å; T123-S128 WeakPolarHBondContact CG2-O 3.23Å
124A94.4Very high95.7Very high8 Ų828.6 Ų28.67%0.06616%0.164CC..  trans-78.4162.8177.600000111.6A47 D126 G127 S128 F130A47-A124 HydrophobicContact CB-CB 4.14Å; A124-D126 WeakPolarHBondContact CB-OD1 3.43Å; A124-D126 PolarHBondContact O-N 3.16Å; A124-G127 PolarHBondContact O-N 2.82Å; A124-S128 WeakPolarHBondContact CB-O 3.47Å; A124-S128 WeakPolarHBondContact CB-OG 3.46Å; A124-S128 PolarHBondContact N-O 2.54Å; A124-F130 HydrophobicContact CB-CE2 4.07Å
125S94.1Very high95.7Very high122 Ų12228.6 Ų28.685%0.85316%0.164SC*.THydrogen-bonded Turntrans-66.2-13.6178.4590000114.9R50 G127R50-S125 VanDerWaalsContact NH2-N 3.19Å; R50-S125 PolarHBondContact NH2-OG 3.1Å; S125-G127 VanDerWaalsContact C-N 3.31Å
126D92.8Very high95.6Very high94 Ų9427.7 Ų27.750%0.50316%0.16SC..THydrogen-bonded Turntrans-88.13.7170.667.9-12.1000113.3R50 A124 S128R50-D126 IonicContact CZ-OD1 3.45Å; R50-D126 IonicContact CZ-OD2 3.89Å; R50-D126 VanDerWaalsContact NH1-CB 3.35Å; R50-D126 IonicContact NH1-OD1 2.7Å; R50-D126 PolarHBondContact NH1-OD1 3.2Å; R50-D126 IonicContact NH1-OD2 3.26Å; R50-D126 PolarHBondContact NH1-OD2 3.31Å; R50-D126 IonicContact NH2-OD1 2.77Å; A124-D126 WeakPolarHBondContact CB-OD1 3.43Å; A124-D126 PolarHBondContact O-N 3.16Å; D126-S128 VanDerWaalsContact C-N 3.28Å; D126-S128 PolarHBondContact O-N 2.63Å; D126-S128 VanDerWaalsContact OD1-CB 3.27Å; D126-S128 WeakPolarHBondContact OD1-CB 3.42Å; D126-S128 PolarHBondContact OD1-N 3.47Å; D126-S128 PolarHBondContact OD1-OG 3.17Å; D126-S128 PolarHBondContact OD2-OG 3.07Å
127G91.9Very high95.6Very high32 Ų3225.4 Ų25.433%0.3316%0.155SC..SBendtrans82.8-4.5-176.900000114.7Y72 D73 A124 S125Y72-G127 CarbonylContact C-O 3.58Å; Y72-G127 WeakPolarHBondContact CA-O 3.33Å; D73-G127 PolarHBondContact N-O 2.99Å; A124-G127 PolarHBondContact O-N 2.82Å; S125-G127 VanDerWaalsContact C-N 3.31Å
128S93.7Very high95.4Very high2 Ų226.7 Ų26.71%0.01417%0.166CC..  trans-69.3153.4172.968.40000111.3A70 T123 A124 D126A70-S128 CarbonylContact O-C 3.22Å; A70-S128 VanDerWaalsContact O-CA 3.27Å; A70-S128 WeakPolarHBondContact O-CA 3.28Å; A70-S128 VanDerWaalsContact O-CB 3.27Å; A70-S128 WeakPolarHBondContact O-CB 3.3Å; T123-S128 CarbonylContact C-O 3.48Å; T123-S128 WeakPolarHBondContact CA-O 3.48Å; T123-S128 WeakPolarHBondContact CG2-O 3.23Å; A124-S128 WeakPolarHBondContact CB-O 3.47Å; A124-S128 WeakPolarHBondContact CB-OG 3.46Å; A124-S128 PolarHBondContact N-O 2.54Å; D126-S128 VanDerWaalsContact C-N 3.28Å; D126-S128 PolarHBondContact O-N 2.63Å; D126-S128 VanDerWaalsContact OD1-CB 3.27Å; D126-S128 WeakPolarHBondContact OD1-CB 3.42Å; D126-S128 PolarHBondContact OD1-N 3.47Å; D126-S128 PolarHBondContact OD1-OG 3.17Å; D126-S128 PolarHBondContact OD2-OG 3.07Å
129S93.9Very high95.3Very high0 Ų027.3 Ų27.30%017%0.172CC..EExtended strand (participates in β ladder)trans-122.5147.5179.7610000112.4W69 A70 Y72 Q74 A122W69-S129 WeakPolarHBondContact CA-O 3.42Å; A70-S129 PolarHBondContact N-O 3.27Å; A70-S129 VanDerWaalsContact N-O 3.08Å; A70-S129 PolarHBondContact O-N 2.94Å; Y72-S129 WeakPolarHBondContact O-CB 3.48Å; Y72-S129 PolarHBondContact O-OG 3.17Å; Q74-S129 WeakPolarHBondContact CG-OG 3.42Å; Q74-S129 PolarHBondContact N-OG 3.31Å; Q74-S129 PolarHBondContact OE1-OG 3.49Å; A122-S129 WeakPolarHBondContact O-CA 3.34Å
130F95.3Very high95.3Very high2 Ų229 Ų291%0.00918%0.181CC..EExtended strand (participates in β ladder)trans-125.9128.9-179.7-65.8-98000108.6L46 A47 L52 A68 W69 K121 A122 A124L46-F130 HydrophobicContact CB-CB 4.02Å; L46-F130 HydrophobicContact CB-CD1 3.54Å; L46-F130 HydrophobicContact CB-CE1 4.17Å; L46-F130 HydrophobicContact CB-CG 3.85Å; L46-F130 HydrophobicContact CD1-CD1 4.41Å; A47-F130 HydrophobicContact CB-CD2 3.82Å; A47-F130 HydrophobicContact CB-CE2 4.35Å; L52-F130 HydrophobicContact CD1-CD1 4.02Å; L52-F130 HydrophobicContact CD1-CE1 4.39Å; A68-F130 WeakPolarHBondContact O-CA 3.25Å; W69-F130 AromaticContact CD1-CD1 3.73Å; W69-F130 AromaticContact CD1-CE1 3.32Å; W69-F130 AromaticContact CD1-CE2 3.71Å; W69-F130 AromaticContact CD1-CZ 3.3Å; W69-F130 HydrophobicContact CG-CE1 4.24Å; W69-F130 HydrophobicContact CG-CZ 4.49Å; W69-F130 AromaticContact NE1-CE1 3.99Å; W69-F130 AromaticContact NE1-CE2 3.86Å; W69-F130 AromaticContact NE1-CZ 3.51Å; K121-F130 CarbonylContact C-O 3.53Å; K121-F130 VanDerWaalsContact CA-O 3.26Å; K121-F130 WeakPolarHBondContact CA-O 3.45Å; A122-F130 PolarHBondContact N-O 3.08Å; A122-F130 PolarHBondContact O-N 2.95Å; A124-F130 HydrophobicContact CB-CE2 4.07Å
131V96.2Very high95.2Very high0 Ų032 Ų320%020%0.196CC..EExtended strand (participates in β ladder)trans-120.4135.9177.7179.60000109.4F9 L67 A68 V81 W85 V119 G120 K121F9-V131 HydrophobicContact CE1-CG1 4.13Å; F9-V131 HydrophobicContact CZ-CG1 3.8Å; F9-V131 HydrophobicContact CZ-CG2 3.84Å; L67-V131 CarbonylContact C-O 3.47Å; L67-V131 WeakPolarHBondContact CA-O 3.38Å; A68-V131 HydrophobicContact CB-CB 4.27Å; A68-V131 PolarHBondContact N-O 3.09Å; A68-V131 PolarHBondContact O-N 2.91Å; V81-V131 HydrophobicContact CG1-CG1 4.12Å; V81-V131 HydrophobicContact CG2-CG2 4.19Å; W85-V131 HydrophobicContact CH2-CG1 4.15Å; V119-V131 HydrophobicContact CG2-CG1 3.86Å; G120-V131 WeakPolarHBondContact O-CA 3.47Å; K121-V131 HydrophobicContact CB-CG2 4.16Å; K121-V131 HydrophobicContact CD-CG2 4.29Å; K121-V131 HydrophobicContact CG-CG2 3.9Å
132V96.9Very high95Very high0 Ų034.6 Ų34.60%022%0.216CC..EExtended strand (participates in β ladder)trans-123127.7175.9-178.80000107.9A39 Y42 A43 L46 E65 L67 V119 G120 R134A39-V132 HydrophobicContact CB-CB 4.1Å; A39-V132 HydrophobicContact CB-CG1 3.99Å; A39-V132 WeakPolarHBondContact CB-O 3.45Å; Y42-V132 HydrophobicContact CD1-CG1 4.14Å; Y42-V132 HydrophobicContact CD1-CG2 3.87Å; A43-V132 HydrophobicContact CB-CG2 3.87Å; L46-V132 HydrophobicContact CD1-CG2 3.67Å; E65-V132 HydrophobicContact CG-CG1 4.14Å; L67-V132 HydrophobicContact CD2-CB 4.25Å; L67-V132 HydrophobicContact CD2-CG1 4.09Å; L67-V132 HydrophobicContact CD2-CG2 3.75Å; V119-V132 CarbonylContact C-O 3.24Å; V119-V132 VanDerWaalsContact CA-O 3.27Å; V119-V132 WeakPolarHBondContact CA-O 2.87Å; V119-V132 WeakPolarHBondContact CG2-O 3.26Å; G120-V132 PolarHBondContact N-O 3Å; G120-V132 PolarHBondContact O-N 3.21Å; V132-R134 HydrophobicContact CG1-CG 4.38Å
133A97.5Very high94.9Very high0 Ų039 Ų390%024%0.238CC..EExtended strand (participates in β ladder)trans-110.9143.5165.300000110.3E65 N66 W85 L117 G118 V119 Y135E65-A133 VanDerWaalsContact CA-O 3.24Å; E65-A133 WeakPolarHBondContact CA-O 3.37Å; N66-A133 HydrophobicContact CB-CB 4.29Å; N66-A133 PolarHBondContact N-O 3.28Å; N66-A133 PolarHBondContact O-N 2.84Å; W85-A133 HydrophobicContact CH2-CB 3.54Å; W85-A133 HydrophobicContact CZ3-CB 3.71Å; L117-A133 HydrophobicContact CD1-CB 4.08Å; G118-A133 CarbonylContact O-C 3.57Å; G118-A133 VanDerWaalsContact O-CA 3.31Å; G118-A133 WeakPolarHBondContact O-CA 3.47Å; V119-A133 HydrophobicContact CG2-CB 4.38Å; A133-Y135 HydrophobicContact CB-CE2 4.02Å
134R97.9Very high94.6Very high6 Ų645.3 Ų45.32%0.02326%0.263CS..EExtended strand (participates in β ladder)trans-124.8129.8178.3-67.3-65.9-175.981.3-1.5110.2L35 A39 S55 R60 G64 E65 L117 G118 V132L35-R134 HydrophobicContact CB-CB 4.29Å; L35-R134 HydrophobicContact CD2-CB 4.48Å; A39-R134 HydrophobicContact CB-CG 4.08Å; S55-R134 PolarHBondContact OG-NH2 2.78Å; R60-R134 VanDerWaalsContact CB-NH1 3.28Å; G64-R134 VanDerWaalsContact O-CA 3.3Å; G64-R134 WeakPolarHBondContact O-CA 3.48Å; G64-R134 WeakPolarHBondContact O-CD 3.42Å; E65-R134 IonicContact OE2-CZ 3.29Å; E65-R134 VanDerWaalsContact OE2-CZ 3.29Å; E65-R134 IonicContact OE2-NE 2.83Å; E65-R134 PolarHBondContact OE2-NE 2.85Å; E65-R134 IonicContact OE2-NH2 2.92Å; E65-R134 PolarHBondContact OE2-NH2 2.88Å; L117-R134 CarbonylContact C-O 3.58Å; L117-R134 WeakPolarHBondContact CA-O 3.44Å; G118-R134 PolarHBondContact N-O 2.75Å; G118-R134 PolarHBondContact O-N 3.48Å; V132-R134 HydrophobicContact CG1-CG 4.38Å
135Y98.3Very high94.5Very high0 Ų046.1 Ų46.10%027%0.273CS..EExtended strand (participates in β ladder)trans-115133.2-177.8-54.8-86000110.5H17 L29 C63 G64 N66 A108 K116 L117 A133 P137H17-Y135 AromaticContact CD2-CE1 3.75Å; H17-Y135 AromaticContact NE2-CE1 3.65Å; H17-Y135 AromaticContact NE2-CZ 3.66Å; H17-Y135 PolarHBondContact NE2-OH 3.21Å; L29-Y135 HydrophobicContact CD1-CD1 4.09Å; L29-Y135 HydrophobicContact CD1-CE1 4.2Å; C63-Y135 CarbonylContact C-O 3.56Å; C63-Y135 WeakPolarHBondContact CA-O 3.29Å; C63-Y135 WeakPolarHBondContact CB-O 3.3Å; G64-Y135 PolarHBondContact N-O 3.13Å; G64-Y135 PolarHBondContact O-N 3.29Å; N66-Y135 HydrophobicContact CB-CE2 4.03Å; N66-Y135 PolarHBondContact ND2-OH 3.33Å; A108-Y135 HydrophobicContact CB-CD2 4.19Å; A108-Y135 HydrophobicContact CB-CE2 4.04Å; K116-Y135 WeakPolarHBondContact O-CA 3.48Å; L117-Y135 HydrophobicContact CD1-CD1 3.92Å; L117-Y135 HydrophobicContact CD1-CE1 3.54Å; A133-Y135 HydrophobicContact CB-CE2 4.02Å; Y135-P137 CarbonylContact C-O 3.16Å
136F97.4Very high94.6Very high83 Ų8343.5 Ų43.536%0.36425%0.246SC..EExtended strand (participates in β ladder)trans-132.2132.8175.9-176.9-89.9000112.5L35 K115 K116L35-F136 HydrophobicContact CD1-CB 3.91Å; K115-F136 PolarHBondContact N-O 3.48Å; K116-F136 HydrophobicContact CB-CB 4.34Å; K116-F136 PolarHBondContact N-O 3.11Å; K116-F136 PolarHBondContact O-N 3.03Å
137P97.1Very high94.8Very high55 Ų5539.4 Ų39.436%0.35722%0.224SC..SBendcis-58.2163.8-13.3-23.535.5000112.8S114 Y135S114-P137 PolarHBondContact OG-O 2.68Å; S114-P137 VanDerWaalsContact OG-O 3.12Å; Y135-P137 CarbonylContact C-O 3.16Å
138A96Very high95Very high27 Ų2744.1 Ų44.122%0.22324%0.238CC..  trans-59.3142.5176.900000112.2S62S62-A138 WeakPolarHBondContact O-CB 3.37Å; S62-A138 PolarHBondContact O-N 2.89Å
139G95.3Very high95.2Very high13 Ų1349 Ų4913%0.13426%0.264CS..  trans-94-167.8167.100000112.2W111 I141W111-G139 VanDerWaalsContact CD2-CA 3.48Å; W111-G139 VanDerWaalsContact CG-CA 3.5Å; G139-I141 PolarHBondContact O-N 2.87Å
140N95.3Very high95.4Very high38 Ų3849.5 Ų49.520%0.20327%0.266CS..  trans5632.6174.1-58.8-3.3000114.1G104 T107 A108 W111 T142 F147G104-N140 PolarHBondContact O-ND2 3.36Å; T107-N140 VanDerWaalsContact CB-OD1 3.31Å; T107-N140 WeakPolarHBondContact CB-OD1 3.39Å; T107-N140 PolarHBondContact OG1-ND2 3.26Å; T107-N140 PolarHBondContact OG1-OD1 2.62Å; A108-N140 PolarHBondContact N-OD1 2.95Å; W111-N140 VanDerWaalsContact CZ3-N 3.34Å; N140-T142 PolarHBondContact O-N 3.45Å; N140-F147 HydrophobicContact CB-CZ 4.13Å
141I93.1Very high95.5Very high66 Ų6649.7 Ų49.734%0.33827%0.268SS..  trans-71.8119.4173.2-58.1170.8000107.6W111 G139 N143 H146 F147W111-I141 HydrophobicContact CZ2-CB 4.27Å; W111-I141 HydrophobicContact CZ2-CG1 4.48Å; G139-I141 PolarHBondContact O-N 2.87Å; I141-N143 VanDerWaalsContact C-N 3.26Å; I141-N143 HydrophobicContact CG2-CB 4.09Å; I141-N143 PolarHBondContact O-N 3.16Å; I141-H146 HydrophobicContact CB-CB 4.3Å; I141-H146 VanDerWaalsContact O-CB 3.26Å; I141-H146 WeakPolarHBondContact O-CB 3.27Å; I141-F147 WeakPolarHBondContact O-CD2 3.46Å; I141-F147 VanDerWaalsContact O-CE2 3.3Å; I141-F147 WeakPolarHBondContact O-CE2 3.43Å
142T91.1Very high95.6Very high103 Ų10351.2 Ų51.263%0.63228%0.276SS*.  trans-82.93.8-172.853.70000114.5F99 N140 F147F99-T142 HydrophobicContact CB-CG2 3.97Å; N140-T142 PolarHBondContact O-N 3.45Å; T142-F147 HydrophobicContact CG2-CE2 4.3Å
143N90.9Very high95.5Very high104 Ų10454.6 Ų54.656%0.55630%0.297SS*.SBendtrans-64.3149.4174.6-68.621.8000110.6I141 G145 H146I141-N143 VanDerWaalsContact C-N 3.26Å; I141-N143 HydrophobicContact CG2-CB 4.09Å; I141-N143 PolarHBondContact O-N 3.16Å; N143-G145 PolarHBondContact O-N 2.72Å; N143-H146 VanDerWaalsContact CB-CD2 3.44Å; N143-H146 WeakPolarHBondContact CB-CD2 3.18Å; N143-H146 WeakPolarHBondContact O-CB 3.47Å; N143-H146 PolarHBondContact O-CD2 3.45Å; N143-H146 PolarHBondContact O-N 3.45Å; N143-H146 VanDerWaalsContact O-N 3.16Å
144Q88.5Confident95.4Very high196 Ų19656.7 Ų56.792%0.91631%0.312SS*.THydrogen-bonded Turntrans-52.6134-177.1-172.8175.2-4.200111.9H146Q144-H146 PolarHBondContact O-N 3.13Å
145G91.3Very high94.8Very high26 Ų2663.3 Ų63.327%0.26834%0.341SS..THydrogen-bonded Turntrans77.3-8.5177.600000115.7N143 N149N143-G145 PolarHBondContact O-N 2.72Å; G145-N149 WeakPolarHBondContact O-CB 3.43Å; G145-N149 PolarHBondContact O-N 3.33Å; G145-N149 VanDerWaalsContact O-N 3.15Å; G145-N149 PolarHBondContact O-ND2 2.8Å
146H96.4Very high93.1Very high66 Ų6669.1 Ų69.131%0.30638%0.377SS..Hα-helixtrans-67.7-43.7-179.4-82-104.2000112.7W111 I141 N143 Q144 N149 N150W111-H146 HydrophobicContact CH2-CB 3.99Å; W111-H146 HydrophobicContact CZ2-CB 4.09Å; I141-H146 HydrophobicContact CB-CB 4.3Å; I141-H146 VanDerWaalsContact O-CB 3.26Å; I141-H146 WeakPolarHBondContact O-CB 3.27Å; N143-H146 VanDerWaalsContact CB-CD2 3.44Å; N143-H146 WeakPolarHBondContact CB-CD2 3.18Å; N143-H146 WeakPolarHBondContact O-CB 3.47Å; N143-H146 PolarHBondContact O-CD2 3.45Å; N143-H146 PolarHBondContact O-N 3.45Å; N143-H146 VanDerWaalsContact O-N 3.16Å; Q144-H146 PolarHBondContact O-N 3.13Å; H146-N149 PolarHBondContact O-N 3.37Å; H146-N150 VanDerWaalsContact O-CB 3.31Å; H146-N150 WeakPolarHBondContact O-CB 3.41Å; H146-N150 PolarHBondContact O-N 3.34Å; H146-N150 VanDerWaalsContact O-N 3.11Å; H146-N150 PolarHBondContact O-ND2 2.95Å
147F97.2Very high90.9Very high9 Ų968.7 Ų68.74%0.03940%0.395CS..Hα-helixtrans-64.1-47178.6-84.4-98.3000111.8Y92 P97 G98 F99 T107 W111 N140 I141 T142 N149 N150 V151Y92-F147 HydrophobicContact CE2-CD1 4.29Å; P97-F147 HydrophobicContact CB-CB 3.99Å; G98-F147 WeakPolarHBondContact O-CD1 3.27Å; G98-F147 WeakPolarHBondContact O-CE1 3.33Å; F99-F147 HydrophobicContact CB-CE1 4.36Å; F99-F147 HydrophobicContact CB-CE2 4.14Å; F99-F147 HydrophobicContact CB-CZ 3.65Å; F99-F147 HydrophobicContact CD2-CZ 4.31Å; F99-F147 HydrophobicContact CG-CZ 4.5Å; T107-F147 HydrophobicContact CG2-CD1 4.23Å; T107-F147 HydrophobicContact CG2-CE1 3.92Å; W111-F147 HydrophobicContact CH2-CD2 4.14Å; W111-F147 HydrophobicContact CH2-CE2 4.28Å; W111-F147 HydrophobicContact CH2-CG 4.34Å; W111-F147 AromaticContact CZ3-CD1 3.99Å; W111-F147 HydrophobicContact CZ3-CD1 3.99Å; W111-F147 HydrophobicContact CZ3-CD2 4.24Å; W111-F147 HydrophobicContact CZ3-CE1 4.05Å; W111-F147 HydrophobicContact CZ3-CE2 4.29Å; W111-F147 HydrophobicContact CZ3-CG 4.09Å; W111-F147 HydrophobicContact CZ3-CZ 4.19Å; N140-F147 HydrophobicContact CB-CZ 4.13Å; I141-F147 WeakPolarHBondContact O-CD2 3.46Å; I141-F147 VanDerWaalsContact O-CE2 3.3Å; I141-F147 WeakPolarHBondContact O-CE2 3.43Å; T142-F147 HydrophobicContact CG2-CE2 4.3Å; F147-N149 VanDerWaalsContact C-N 3.29Å; F147-N149 PolarHBondContact O-N 3.25Å; F147-N150 PolarHBondContact O-N 3.36Å; F147-N150 VanDerWaalsContact O-N 3.15Å; F147-V151 HydrophobicContact CD1-CG2 4.12Å; F147-V151 WeakPolarHBondContact O-CB 3.27Å; F147-V151 PolarHBondContact O-N 2.7Å
148E96.3Very high88Confident130 Ų13075.1 Ų75.161%0.60744%0.442SS*.Hα-helixtrans-56.7-42.4177.1-172.9178-174.500112.2P97 N150 L152P97-E148 HydrophobicContact CB-CB 4.45Å; P97-E148 HydrophobicContact CG-CB 4.01Å; E148-N150 PolarHBondContact O-N 3Å; E148-L152 WeakPolarHBondContact O-CD2 3.49Å
149N97Very high87.6Confident106 Ų10677.5 Ų77.557%0.56745%0.453SS*.Hα-helixtrans-76.5-19.3-179.3-74.4-50.7000114.5G145 H146 F147G145-N149 WeakPolarHBondContact O-CB 3.43Å; G145-N149 PolarHBondContact O-N 3.33Å; G145-N149 VanDerWaalsContact O-N 3.15Å; G145-N149 PolarHBondContact O-ND2 2.8Å; H146-N149 PolarHBondContact O-N 3.37Å; F147-N149 VanDerWaalsContact C-N 3.29Å; F147-N149 PolarHBondContact O-N 3.25Å
150N98.3Very high87.2Confident10 Ų1080.9 Ų80.95%0.05347%0.469CS..Hα-helixtrans-116.8-19.6-171.7-72.3-84.1000115.3W111 K112 S113 H146 F147 E148W111-N150 HydrophobicContact CD2-CB 3.4Å; W111-N150 VanDerWaalsContact CE2-CB 3.4Å; W111-N150 VanDerWaalsContact CE2-CG 3.4Å; W111-N150 HydrophobicContact CE3-CB 3.7Å; W111-N150 HydrophobicContact CG-CB 3.92Å; W111-N150 HydrophobicContact CH2-CB 4.01Å; W111-N150 HydrophobicContact CZ2-CB 3.74Å; W111-N150 HydrophobicContact CZ3-CB 3.99Å; W111-N150 PolarHBondContact NE1-OD1 2.88Å; K112-N150 HydrophobicContact CB-CB 4.33Å; K112-N150 PolarHBondContact N-O 3.17Å; S113-N150 WeakPolarHBondContact CB-OD1 3.48Å; S113-N150 PolarHBondContact N-OD1 2.93Å; S113-N150 PolarHBondContact OG-OD1 2.89Å; H146-N150 VanDerWaalsContact O-CB 3.31Å; H146-N150 WeakPolarHBondContact O-CB 3.41Å; H146-N150 PolarHBondContact O-N 3.34Å; H146-N150 VanDerWaalsContact O-N 3.11Å; H146-N150 PolarHBondContact O-ND2 2.95Å; F147-N150 PolarHBondContact O-N 3.36Å; F147-N150 VanDerWaalsContact O-N 3.15Å; E148-N150 PolarHBondContact O-N 3Å
151V97.9Very high86.7Confident5 Ų583.3 Ų83.33%0.0348%0.484CS..SBendtrans-119.481.6-177.6-173.20000108.1Y92 F94 F106 T107 V110 W111 F147Y92-V151 HydrophobicContact CD1-CG1 4.21Å; Y92-V151 HydrophobicContact CE1-CB 4.33Å; Y92-V151 HydrophobicContact CE1-CG1 3.61Å; Y92-V151 HydrophobicContact CE2-CG1 4.37Å; F94-V151 HydrophobicContact CE1-CG1 4.17Å; F106-V151 HydrophobicContact CE1-CG1 3.62Å; F106-V151 HydrophobicContact CZ-CG1 3.96Å; T107-V151 HydrophobicContact CG2-CG1 4.05Å; T107-V151 HydrophobicContact CG2-CG2 3.96Å; V110-V151 HydrophobicContact CG2-CG1 3.91Å; W111-V151 HydrophobicContact CE3-CG2 3.73Å; W111-V151 HydrophobicContact CZ3-CG2 3.87Å; F147-V151 HydrophobicContact CD1-CG2 4.12Å; F147-V151 WeakPolarHBondContact O-CB 3.27Å; F147-V151 PolarHBondContact O-N 2.7Å
152L97.4Very high86.4Confident33 Ų3384.3 Ų84.317%0.17349%0.493CS..PPolyproline II helixtrans-82.7150.4-176.4-56177.7000110.5H24 Q25 F94 K112 E148H24-L152 PolarHBondContact ND1-O 2.85Å; Q25-L152 HydrophobicContact CB-CD1 3.93Å; F94-L152 WeakPolarHBondContact CE1-O 3.47Å; K112-L152 HydrophobicContact CD-CD1 4.21Å; E148-L152 WeakPolarHBondContact O-CD2 3.49Å
153P96.3Very high86.1Confident70 Ų7083.1 Ų83.146%0.45548%0.484SS..PPolyproline II helixtrans-60.2157173.525.8-34.3000111.5Q25 F94 K155Q25-P153 PolarHBondContact NE2-O 2.96Å; F94-P153 HydrophobicContact CD1-CB 4.02Å; F94-P153 HydrophobicContact CE1-CB 4.32Å; F94-P153 HydrophobicContact CG-CB 4.23Å; P153-K155 PolarHBondContact O-N 2.55Å
154S94.8Very high85.7Confident45 Ų4581.7 Ų81.732%0.31548%0.479SS..PPolyproline II helixtrans-63.5131172.1177.60000109.3K23 T156K23-S154 CarbonylContact O-C 3.6Å; K23-S154 WeakPolarHBondContact O-CA 3.43Å; S154-T156 PolarHBondContact O-N 3.05Å
155K86.2Confident85.5Confident145 Ų14573.6 Ų73.663%0.6345%0.448SS*.  trans-71.787.9160-76.8-174.5174.5179.90107.1K23 Q25 P153 G157K23-K155 PolarHBondContact O-N 2.96Å; Q25-K155 VanDerWaalsContact CD-CE 3.48Å; Q25-K155 HydrophobicContact CG-CD 3.67Å; Q25-K155 HydrophobicContact CG-CG 3.76Å; Q25-K155 VanDerWaalsContact OE1-CE 3.28Å; P153-K155 PolarHBondContact O-N 2.55Å; K155-G157 PolarHBondContact O-N 3.16Å
156T61.6Low85.1Confident122 Ų12277.2 Ų77.275%0.74846%0.462SS*.  trans-54.3127.2154.240.70000106.3S154 S158S154-T156 PolarHBondContact O-N 3.05Å; T156-S158 PolarHBondContact O-N 3.22Å; T156-S158 VanDerWaalsContact O-N 3.13Å
157G50.8Low84.2Confident73 Ų7378.2 Ų78.275%0.75348%0.475SS*.  trans-48.4123.7-176.500000110.1K155K155-G157 PolarHBondContact O-N 3.16Å
158S36.2Very low83Confident190 Ų19084.5 Ų84.5100%1.32952%0.515SS*.  trans-55.20153.345.80000110.3T156T156-S158 PolarHBondContact O-N 3.22Å; T156-S158 VanDerWaalsContact O-N 3.13Å

Retrieved 158 of 158 residues in 267.5 ms (Link to these results)

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