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Putative protein-lysine deacylase ABHD14B

Acts as an atypical protein-lysine deacetylase in vitro. Catalyzes the deacetylation of lysine residues using CoA as substrate, generating acetyl-CoA and the free amine of protein-lysine residues. Additional experiments are however required to confirm the protein-lysine deacetylase activity in vivo. Has hydrolase activity towards various surrogate p-nitrophenyl (pNp) substrates, such as pNp-butyrate, pNp-acetate and pNp-octanoate in vitro, with a strong preference for pNp-acetate. May activate transcription.

AlphaFold DB , UniProt , Accession A0A087WPF8, Species MOUSE (Mus musculus, Mouse), Gene Abhd14b, Length 174 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
1M50.2Low86.5Confident227 Ų22778.5 Ų78.5100%1.11844%0.444SS*.  0134.20-72.5168.9-173.700106.8G3M1-G3 PolarHBondContact O-N 3.41Å
2A58.6Low87.5Confident53 Ų5383.5 Ų83.544%0.43846%0.457SS..  trans-59.7132.9167.900000107.8Q29A2-Q29 VanDerWaalsContact CB-NE2 3.31Å
3G80.7Confident88.3Confident51 Ų5177.2 Ų77.253%0.52642%0.423SS..  trans-61.2150.7176.100000110.4M1 G26M1-G3 PolarHBondContact O-N 3.41Å; G3-G26 WeakPolarHBondContact O-CA 3.43Å; G3-G26 PolarHBondContact O-N 2.99Å
4V89.7Confident88.7Confident33 Ų3378.9 Ų78.920%0.243%0.426CS..EExtended strand (participates in β ladder)trans-120.4142.4166.9-64.90000108.2T23 R24 Q55 A58 E59V4-T23 HydrophobicContact CB-CG2 3.86Å; V4-T23 HydrophobicContact CG2-CG2 4.01Å; V4-R24 WeakPolarHBondContact CA-O 3.38Å; V4-R24 WeakPolarHBondContact CB-O 3.39Å; V4-Q55 HydrophobicContact CG2-CG 4.42Å; V4-A58 HydrophobicContact CB-CB 4.26Å; V4-A58 HydrophobicContact CG1-CB 3.8Å; V4-E59 HydrophobicContact CG1-CG 3.91Å
5D91.9Very high89.1Confident74 Ų7477.4 Ų77.440%0.39644%0.437SS..EExtended strand (participates in β ladder)trans-98.4119.2178.9-64.9-30.9000108.3T23 R24 S27D5-T23 CarbonylContact O-C 3.56Å; D5-T23 WeakPolarHBondContact O-CA 3.49Å; D5-R24 PolarHBondContact N-O 3.4Å; D5-R24 PolarHBondContact O-N 2.95Å; D5-S27 PolarHBondContact OD2-N 3.09Å; D5-S27 PolarHBondContact OD2-OG 2.77Å
6Q94.1Very high89.6Confident118 Ų11875.9 Ų75.955%0.55143%0.425SS*.EExtended strand (participates in β ladder)trans-105.1136.8180-67.9-177.416.400110.5E22 T23Q6-E22 WeakPolarHBondContact CA-O 3.45Å; Q6-T23 HydrophobicContact CG-CG2 3.83Å
7H94.4Very high90.1Very high102 Ų10277.6 Ų77.647%0.47243%0.433SS..EExtended strand (participates in β ladder)trans-143.4142.4-179.8177.760.5000110.7F20 E22H7-F20 AromaticContact CD2-CE2 3.85Å; H7-F20 AromaticContact CD2-CZ 3.78Å; H7-F20 AromaticContact NE2-CZ 3.81Å; H7-E22 HydrophobicContact CB-CB 4.49Å; H7-E22 PolarHBondContact N-O 3.25Å; H7-E22 PolarHBondContact O-N 2.91Å
8E97.9Very high90.6Very high86 Ų8673.4 Ų73.440%0.40241%0.41SS..EExtended strand (participates in β ladder)trans-122.6144.3170.2-61.1-178.7-161.600108.7F19 F20 R21 R74E8-F19 HydrophobicContact CB-CE2 4.06Å; E8-F19 HydrophobicContact CB-CZ 3.88Å; E8-F19 HydrophobicContact CG-CZ 4.11Å; E8-F19 WeakPolarHBondContact OE2-CZ 3.38Å; E8-F20 WeakPolarHBondContact CA-O 3.3Å; E8-R21 HydrophobicContact CG-CG 4.23Å; E8-R21 IonicContact OE1-CZ 3.64Å; E8-R21 IonicContact OE1-NH1 2.59Å; E8-R21 PolarHBondContact OE1-NH1 3.32Å; E8-R21 IonicContact OE2-CZ 3.98Å; E8-R21 IonicContact OE2-NH1 3.55Å; E8-R21 IonicContact OE2-NH2 3.97Å; E8-R74 IonicContact OE2-NH1 2.92Å; E8-R74 PolarHBondContact OE2-NH1 3.02Å
9G97.9Very high91Very high16 Ų1670.1 Ų70.117%0.16539%0.39CS..EExtended strand (participates in β ladder)trans-163.4-176-179.700000113.4F19 F20G9-F19 WeakPolarHBondContact O-CA 3.29Å; G9-F19 VanDerWaalsContact O-CD2 3.29Å; G9-F19 WeakPolarHBondContact O-CD2 3.37Å; G9-F20 VanDerWaalsContact C-CD1 3.46Å; G9-F20 PolarHBondContact N-O 2.88Å; G9-F20 VanDerWaalsContact O-CD1 3.28Å; G9-F20 WeakPolarHBondContact O-CD1 3.47Å; G9-F20 PolarHBondContact O-N 2.84Å
10T98.4Very high91.4Very high86 Ų8667.3 Ų67.353%0.52837%0.374SS..EExtended strand (participates in β ladder)trans-126.5133.8175.4-60.20000108.4N17 L18T10-N17 HydrophobicContact CG2-CB 3.64Å; T10-L18 CarbonylContact C-O 3.48Å; T10-L18 VanDerWaalsContact CA-O 3.28Å; T10-L18 WeakPolarHBondContact CA-O 3.41Å
11I98.2Very high91.8Very high17 Ų1764.7 Ų64.79%0.08736%0.358CS..EExtended strand (participates in β ladder)trans-112.5154.4172.655.7174.8000110.5V13 N17 L18 F20 V96 T99 L100I11-V13 HydrophobicContact CD1-CG2 3.69Å; I11-V13 HydrophobicContact CG1-CG2 3.99Å; I11-N17 CarbonylContact O-C 3.6Å; I11-N17 WeakPolarHBondContact O-CA 3.07Å; I11-L18 HydrophobicContact CG1-CB 4.08Å; I11-L18 PolarHBondContact N-O 3.05Å; I11-L18 PolarHBondContact O-N 3.34Å; I11-F20 HydrophobicContact CG1-CD1 4.44Å; I11-F20 HydrophobicContact CG2-CD1 3.86Å; I11-F20 HydrophobicContact CG2-CE1 3.66Å; I11-V96 HydrophobicContact CD1-CG1 4.41Å; I11-T99 HydrophobicContact CB-CG2 3.88Å; I11-T99 HydrophobicContact CG2-CG2 4.16Å; I11-L100 HydrophobicContact CD1-CD1 3.77Å; I11-L100 HydrophobicContact CD1-CD2 4.09Å; I11-L100 HydrophobicContact CD1-CG 3.67Å; I11-L100 HydrophobicContact CG2-CD2 3.59Å; I11-L100 HydrophobicContact CG2-CG 4.15Å
12K98.1Very high94.1Very high139 Ų13954.3 Ų54.360%0.60431%0.307SS*.EExtended strand (participates in β ladder)trans-101110.8174.5-166171.5-173.2175.80110.1G15 Q16K12-G15 WeakPolarHBondContact CE-O 3.38Å; K12-Q16 CarbonylContact C-O 3.48Å; K12-Q16 VanDerWaalsContact CA-O 3.28Å; K12-Q16 WeakPolarHBondContact CA-O 3.35Å
13V97.5Very high95.9Very high1 Ų152 Ų521%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-117.7120.6-179.8176.70000108.7I11 G15 Q16 L18 F92 A95 V96I11-V13 HydrophobicContact CD1-CG2 3.69Å; I11-V13 HydrophobicContact CG1-CG2 3.99Å; V13-G15 PolarHBondContact O-N 3.12Å; V13-G15 VanDerWaalsContact O-N 3.13Å; V13-Q16 PolarHBondContact N-O 2.92Å; V13-Q16 PolarHBondContact O-N 3.21Å; V13-L18 HydrophobicContact CB-CD1 3.88Å; V13-L18 HydrophobicContact CB-CG 4.41Å; V13-L18 HydrophobicContact CG1-CD1 4.36Å; V13-L18 HydrophobicContact CG2-CD1 3.96Å; V13-F92 HydrophobicContact CG1-CD2 4.21Å; V13-F92 HydrophobicContact CG1-CE2 4.05Å; V13-A95 HydrophobicContact CG1-CB 3.89Å; V13-V96 HydrophobicContact CG1-CG2 4.01Å; V13-V96 HydrophobicContact CG2-CG2 4Å
14Q94.6Very high96.7Very high101 Ų10154 Ų5447%0.47228%0.28SS..THydrogen-bonded Turntrans49.640.7-179.8-59.3-177-0.600113.3Q16 S91 A95Q14-Q16 VanDerWaalsContact C-N 3.33Å; Q14-Q16 PolarHBondContact O-N 3.23Å; Q14-S91 PolarHBondContact NE2-O 3.28Å; Q14-A95 HydrophobicContact CG-CB 4.27Å
15G94.8Very high96.9Very high57 Ų5752.8 Ų52.859%0.58827%0.272SS*.THydrogen-bonded Turntrans87.3-8179.400000115.4K12 V13K12-G15 WeakPolarHBondContact CE-O 3.38Å; V13-G15 PolarHBondContact O-N 3.12Å; V13-G15 VanDerWaalsContact O-N 3.13Å
16Q96.8Very high96.8Very high54 Ų5449.7 Ų49.725%0.25226%0.257SS..EExtended strand (participates in β ladder)trans-111.6151.5-174.6-51.8-164.173.800112.2K12 V13 Q14 A78 A79K12-Q16 CarbonylContact C-O 3.48Å; K12-Q16 VanDerWaalsContact CA-O 3.28Å; K12-Q16 WeakPolarHBondContact CA-O 3.35Å; V13-Q16 PolarHBondContact N-O 2.92Å; V13-Q16 PolarHBondContact O-N 3.21Å; Q14-Q16 VanDerWaalsContact C-N 3.33Å; Q14-Q16 PolarHBondContact O-N 3.23Å; Q16-A78 HydrophobicContact CB-CB 4.13Å; Q16-A78 VanDerWaalsContact OE1-CA 3.26Å; Q16-A79 PolarHBondContact NE2-O 2.99Å; Q16-A79 PolarHBondContact OE1-O 3.5Å
17N98.3Very high96.2Very high105 Ų10549.4 Ų49.456%0.56127%0.268SS*.EExtended strand (participates in β ladder)trans-89.7123.4179-72.7-29000110.6T10 I11T10-N17 HydrophobicContact CG2-CB 3.64Å; I11-N17 CarbonylContact O-C 3.6Å; I11-N17 WeakPolarHBondContact O-CA 3.07Å
18L98.8Very high95.4Very high1 Ų148.8 Ų48.81%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-115.8131.6173-57.4-179.5000110.2T10 I11 V13 P70 S75 A78 F92 V96T10-L18 CarbonylContact C-O 3.48Å; T10-L18 VanDerWaalsContact CA-O 3.28Å; T10-L18 WeakPolarHBondContact CA-O 3.41Å; I11-L18 HydrophobicContact CG1-CB 4.08Å; I11-L18 PolarHBondContact N-O 3.05Å; I11-L18 PolarHBondContact O-N 3.34Å; V13-L18 HydrophobicContact CB-CD1 3.88Å; V13-L18 HydrophobicContact CB-CG 4.41Å; V13-L18 HydrophobicContact CG1-CD1 4.36Å; V13-L18 HydrophobicContact CG2-CD1 3.96Å; L18-P70 HydrophobicContact CD2-CG 4Å; L18-S75 WeakPolarHBondContact CA-OG 3.32Å; L18-A78 HydrophobicContact CD2-CB 3.81Å; L18-F92 HydrophobicContact CD1-CE2 4.09Å; L18-F92 HydrophobicContact CD1-CZ 3.62Å; L18-V96 HydrophobicContact CD1-CG2 4.19Å
19F98.8Very high94.6Very high10 Ų1048.7 Ų48.74%0.04429%0.289CS..EExtended strand (participates in β ladder)trans-78.5144.8172.9-179.6-98000110.8E8 G9 R21 I67 D68 R74 S75E8-F19 HydrophobicContact CB-CE2 4.06Å; E8-F19 HydrophobicContact CB-CZ 3.88Å; E8-F19 HydrophobicContact CG-CZ 4.11Å; E8-F19 WeakPolarHBondContact OE2-CZ 3.38Å; G9-F19 WeakPolarHBondContact O-CA 3.29Å; G9-F19 VanDerWaalsContact O-CD2 3.29Å; G9-F19 WeakPolarHBondContact O-CD2 3.37Å; F19-R21 HydrophobicContact CE1-CG 3.59Å; F19-R21 HydrophobicContact CZ-CG 4.01Å; F19-I67 WeakPolarHBondContact O-CA 3.25Å; F19-D68 HydrophobicContact CB-CB 4.33Å; F19-D68 HydrophobicContact CD1-CB 4.5Å; F19-D68 WeakPolarHBondContact CD1-OD2 3.37Å; F19-D68 PolarHBondContact O-N 3.3Å; F19-R74 HydrophobicContact CB-CB 3.63Å; F19-R74 HydrophobicContact CD1-CB 3.81Å; F19-R74 HydrophobicContact CD1-CG 4.22Å; F19-R74 HydrophobicContact CD2-CB 4.11Å; F19-R74 VanDerWaalsContact CE2-CZ 3.49Å; F19-R74 HydrophobicContact CG-CB 3.56Å; F19-R74 HydrophobicContact CG-CG 4.32Å; F19-S75 PolarHBondContact N-OG 2.92Å
20F98.8Very high94.1Very high15 Ų1553.3 Ų53.37%0.06632%0.316CS..EExtended strand (participates in β ladder)trans-142.4155.8173.276.7-84.2000112.2H7 E8 G9 I11 E22 V65 A66 I67 L100H7-F20 AromaticContact CD2-CE2 3.85Å; H7-F20 AromaticContact CD2-CZ 3.78Å; H7-F20 AromaticContact NE2-CZ 3.81Å; E8-F20 WeakPolarHBondContact CA-O 3.3Å; G9-F20 VanDerWaalsContact C-CD1 3.46Å; G9-F20 PolarHBondContact N-O 2.88Å; G9-F20 VanDerWaalsContact O-CD1 3.28Å; G9-F20 WeakPolarHBondContact O-CD1 3.47Å; G9-F20 PolarHBondContact O-N 2.84Å; I11-F20 HydrophobicContact CG1-CD1 4.44Å; I11-F20 HydrophobicContact CG2-CD1 3.86Å; I11-F20 HydrophobicContact CG2-CE1 3.66Å; F20-E22 HydrophobicContact CD2-CB 4.07Å; F20-E22 HydrophobicContact CE2-CB 3.88Å; F20-V65 HydrophobicContact CB-CG1 4.34Å; F20-V65 HydrophobicContact CD2-CG1 3.99Å; F20-A66 CarbonylContact C-O 3.53Å; F20-A66 VanDerWaalsContact CA-O 3.24Å; F20-A66 WeakPolarHBondContact CA-O 3.44Å; F20-I67 HydrophobicContact CB-CG2 3.94Å; F20-L100 HydrophobicContact CD1-CD2 4.18Å; F20-L100 HydrophobicContact CD2-CD2 4.18Å; F20-L100 HydrophobicContact CE1-CD2 4.15Å; F20-L100 HydrophobicContact CE2-CD2 4.15Å; F20-L100 HydrophobicContact CG-CD2 4.2Å; F20-L100 HydrophobicContact CZ-CD2 4.14Å
21R98.8Very high93.9Very high12 Ų1252.5 Ų52.55%0.04531%0.311CS..EExtended strand (participates in β ladder)trans-118.2137.2169.2-57.9177.9176.7-81.4-8.6108.2E8 F19 S45 Q49 L54 V65 A66E8-R21 HydrophobicContact CG-CG 4.23Å; E8-R21 IonicContact OE1-CZ 3.64Å; E8-R21 IonicContact OE1-NH1 2.59Å; E8-R21 PolarHBondContact OE1-NH1 3.32Å; E8-R21 IonicContact OE2-CZ 3.98Å; E8-R21 IonicContact OE2-NH1 3.55Å; E8-R21 IonicContact OE2-NH2 3.97Å; F19-R21 HydrophobicContact CE1-CG 3.59Å; F19-R21 HydrophobicContact CZ-CG 4.01Å; R21-S45 WeakPolarHBondContact CD-OG 3.34Å; R21-S45 PolarHBondContact NE-OG 2.94Å; R21-Q49 VanDerWaalsContact NH1-CD 3.31Å; R21-L54 HydrophobicContact CB-CD1 3.87Å; R21-V65 CarbonylContact O-C 3.54Å; R21-V65 WeakPolarHBondContact O-CA 3.36Å; R21-A66 PolarHBondContact N-O 3.37Å; R21-A66 PolarHBondContact O-N 2.81Å
22E98.4Very high93.8Very high10 Ų1058.9 Ų58.95%0.04733%0.334CS..EExtended strand (participates in β ladder)trans-130.6141.3-178.6175.2173.5-106.400110.1Q6 H7 F20 R24 R63 A64 V65Q6-E22 WeakPolarHBondContact CA-O 3.45Å; H7-E22 HydrophobicContact CB-CB 4.49Å; H7-E22 PolarHBondContact N-O 3.25Å; H7-E22 PolarHBondContact O-N 2.91Å; F20-E22 HydrophobicContact CD2-CB 4.07Å; F20-E22 HydrophobicContact CE2-CB 3.88Å; E22-R24 HydrophobicContact CG-CG 4Å; E22-R24 IonicContact OE1-CZ 3.56Å; E22-R24 IonicContact OE1-NE 3.35Å; E22-R24 PolarHBondContact OE1-NE 3.32Å; E22-R24 IonicContact OE1-NH2 3.03Å; E22-R24 PolarHBondContact OE1-NH2 3.05Å; E22-R24 IonicContact OE2-CZ 3.27Å; E22-R24 VanDerWaalsContact OE2-CZ 3.27Å; E22-R24 IonicContact OE2-NE 2.76Å; E22-R24 PolarHBondContact OE2-NE 3.48Å; E22-R24 IonicContact OE2-NH2 2.91Å; E22-R24 PolarHBondContact OE2-NH2 3.35Å; E22-R63 IonicContact OE1-CZ 3.19Å; E22-R63 IonicContact OE1-NE 2.7Å; E22-R63 PolarHBondContact OE1-NE 2.98Å; E22-R63 IonicContact OE1-NH2 2.82Å; E22-R63 PolarHBondContact OE1-NH2 2.83Å; E22-A64 CarbonylContact C-O 3.54Å; E22-A64 VanDerWaalsContact CA-O 3.3Å; E22-A64 WeakPolarHBondContact CA-O 3.42Å; E22-V65 HydrophobicContact CB-CG2 4.24Å; E22-V65 HydrophobicContact CG-CG2 3.96Å; E22-V65 WeakPolarHBondContact OE1-CG2 3.42Å
23T97.8Very high93.8Very high4 Ų454.2 Ų54.23%0.02531%0.314CS..EExtended strand (participates in β ladder)trans-133.7129.8166.6-50.10000109.2V4 D5 Q6 L54 A58 A64V4-T23 HydrophobicContact CB-CG2 3.86Å; V4-T23 HydrophobicContact CG2-CG2 4.01Å; D5-T23 CarbonylContact O-C 3.56Å; D5-T23 WeakPolarHBondContact O-CA 3.49Å; Q6-T23 HydrophobicContact CG-CG2 3.83Å; T23-L54 WeakPolarHBondContact OG1-CB 3.35Å; T23-A58 HydrophobicContact CG2-CB 3.5Å; T23-A58 VanDerWaalsContact CG2-CB 3.5Å; T23-A64 PolarHBondContact N-O 2.82Å; T23-A64 PolarHBondContact O-N 2.98Å
24R96.1Very high93.8Very high94 Ų9454.5 Ų54.536%0.35532%0.316SS..EExtended strand (participates in β ladder)trans-116152.8-179.4-60.9-174.1-176.2-144.90.2110.9V4 D5 E22 R63V4-R24 WeakPolarHBondContact CA-O 3.38Å; V4-R24 WeakPolarHBondContact CB-O 3.39Å; D5-R24 PolarHBondContact N-O 3.4Å; D5-R24 PolarHBondContact O-N 2.95Å; E22-R24 HydrophobicContact CG-CG 4Å; E22-R24 IonicContact OE1-CZ 3.56Å; E22-R24 IonicContact OE1-NE 3.35Å; E22-R24 PolarHBondContact OE1-NE 3.32Å; E22-R24 IonicContact OE1-NH2 3.03Å; E22-R24 PolarHBondContact OE1-NH2 3.05Å; E22-R24 IonicContact OE2-CZ 3.27Å; E22-R24 VanDerWaalsContact OE2-CZ 3.27Å; E22-R24 IonicContact OE2-NE 2.76Å; E22-R24 PolarHBondContact OE2-NE 3.48Å; E22-R24 IonicContact OE2-NH2 2.91Å; E22-R24 PolarHBondContact OE2-NH2 3.35Å; R24-R63 HydrophobicContact CG-CG 4.28Å; R24-R63 VanDerWaalsContact NH2-CZ 3.27Å
25P94.8Very high94Very high7 Ų750 Ų505%0.04530%0.295CS..EExtended strand (participates in β ladder)trans-52.1141161.3-20.633000109.3Q29 V31 Y62P25-Q29 HydrophobicContact CB-CB 3.93Å; P25-V31 HydrophobicContact CG-CG2 4.2Å; P25-Y62 WeakPolarHBondContact CD-O 3.26Å
26G89.5Confident94.2Very high8 Ų847.3 Ų47.38%0.08227%0.267CS..  trans-60.7158.1-175.800000113.4G3 G28 Q29G3-G26 WeakPolarHBondContact O-CA 3.43Å; G3-G26 PolarHBondContact O-N 2.99Å; G26-G28 PolarHBondContact O-N 3.14Å; G26-Q29 WeakPolarHBondContact O-CB 3.42Å; G26-Q29 PolarHBondContact O-N 2.99Å
27S81.3Confident94.3Very high112 Ų11244.7 Ų44.778%0.78326%0.255SS*.THydrogen-bonded Turntrans-41126.8178.9-70.60000113.7D5D5-S27 PolarHBondContact OD2-N 3.09Å; D5-S27 PolarHBondContact OD2-OG 2.77Å
28G77.3Confident94.3Very high89 Ų8939.7 Ų39.792%0.91823%0.228SC*.THydrogen-bonded Turntrans89.7-3.9-179.700000115.4G26G26-G28 PolarHBondContact O-N 3.14Å
29Q82.9Confident94.3Very high84 Ų8439.8 Ų39.839%0.39323%0.229SC..SBendtrans-92.5137.4173.9-62.5-167-21.600112.1A2 P25 G26 V31A2-Q29 VanDerWaalsContact CB-NE2 3.31Å; P25-Q29 HydrophobicContact CB-CB 3.93Å; G26-Q29 WeakPolarHBondContact O-CB 3.42Å; G26-Q29 PolarHBondContact O-N 2.99Å; Q29-V31 PolarHBondContact O-N 3.01Å
30P87.1Confident94.3Very high114 Ų11439.5 Ų39.574%0.7423%0.228SC*.PPolyproline II helixtrans-68.4128.7176.628.1-33.2000110.6
31V94.2Very high94.2Very high68 Ų6842.7 Ų42.741%0.41225%0.245SC..PPolyproline II helixtrans-81.1124.9171.3179.50000108.9P25 Q29 R63P25-V31 HydrophobicContact CG-CG2 4.2Å; Q29-V31 PolarHBondContact O-N 3.01Å; V31-R63 HydrophobicContact CG1-CB 3.64Å
32R95.6Very high94.2Very high152 Ų15252.4 Ų52.457%0.57428%0.282SS*.  trans-72.3-58-179.7-64.8178.865.8-159.9-4.1112.3G61 Y62R32-G61 PolarHBondContact N-O 3.33Å; R32-Y62 HydrophobicContact CB-CD1 4.15Å; R32-Y62 HydrophobicContact CB-CE1 4.33Å; R32-Y62 VanDerWaalsContact NH1-CE1 3.34Å; R32-Y62 PolarHBondContact NH1-OH 3.45Å
33F97.3Very high94.2Very high41 Ų4157.3 Ų57.318%0.1830%0.303CS..  trans-167.3171.1175.949.1-100.6000109.4V35 Y62 R63 V106 R129F33-V35 HydrophobicContact CE2-CG2 4.43Å; F33-Y62 HydrophobicContact CD1-CE1 4.49Å; F33-Y62 AromaticContact CD2-CD1 3.95Å; F33-Y62 HydrophobicContact CD2-CD1 3.95Å; F33-Y62 HydrophobicContact CD2-CE1 4.32Å; F33-Y62 HydrophobicContact CE1-CD1 4.27Å; F33-Y62 AromaticContact CE1-CE1 3.8Å; F33-Y62 HydrophobicContact CE1-CE1 3.8Å; F33-Y62 AromaticContact CE2-CD1 3.6Å; F33-Y62 HydrophobicContact CE2-CD1 3.6Å; F33-Y62 AromaticContact CE2-CE1 3.58Å; F33-Y62 HydrophobicContact CE2-CE1 3.58Å; F33-Y62 HydrophobicContact CG-CD1 4.43Å; F33-Y62 AromaticContact CZ-CD1 3.79Å; F33-Y62 HydrophobicContact CZ-CD1 3.79Å; F33-Y62 AromaticContact CZ-CE1 3.29Å; F33-Y62 HydrophobicContact CZ-CE1 3.29Å; F33-R63 PolarHBondContact O-N 3.36Å; F33-R63 VanDerWaalsContact O-N 3.1Å; F33-V106 HydrophobicContact CD2-CG2 4.13Å; F33-V106 HydrophobicContact CE2-CG2 3.65Å; F33-V106 HydrophobicContact CZ-CG2 4.46Å; F33-R129 VanDerWaalsContact CD1-CD 3.45Å; F33-R129 VanDerWaalsContact CG-CD 3.44Å
34S98.4Very high94.2Very high7 Ų757.9 Ų57.95%0.04931%0.307CS..EExtended strand (participates in β ladder)trans-87.7145.6-179.3-52.70000112.3R63 L102 P105 V106S34-R63 CarbonylContact C-O 3.51Å; S34-R63 VanDerWaalsContact CA-O 3.29Å; S34-R63 WeakPolarHBondContact CA-O 3.48Å; S34-L102 VanDerWaalsContact CB-O 3.32Å; S34-L102 WeakPolarHBondContact CB-O 3.29Å; S34-L102 PolarHBondContact OG-O 2.86Å; S34-P105 CarbonylContact O-C 3.54Å; S34-P105 VanDerWaalsContact O-CA 3.29Å; S34-P105 WeakPolarHBondContact O-CA 3.29Å; S34-V106 PolarHBondContact O-N 3.42Å
35V98.8Very high94.3Very high6 Ų653.4 Ų53.44%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-119.9117169.7-175.80000107.4F33 L37 L57 Y62 R63 V65 V106 I108F33-V35 HydrophobicContact CE2-CG2 4.43Å; V35-L37 HydrophobicContact CG1-CD1 4.11Å; V35-L37 HydrophobicContact CG1-CG 4.4Å; V35-L37 WeakPolarHBondContact O-CD1 3.4Å; V35-L57 HydrophobicContact CB-CD1 4.21Å; V35-L57 HydrophobicContact CG1-CD1 3.96Å; V35-L57 HydrophobicContact CG2-CD2 4.47Å; V35-Y62 HydrophobicContact CG2-CG 4.28Å; V35-R63 PolarHBondContact N-O 2.79Å; V35-V65 PolarHBondContact O-N 2.83Å; V35-V106 CarbonylContact C-O 3.51Å; V35-V106 WeakPolarHBondContact CA-O 3.15Å; V35-V106 HydrophobicContact CG1-CB 4.45Å; V35-V106 HydrophobicContact CG2-CB 4.32Å; V35-I108 HydrophobicContact CG1-CD1 3.83Å; V35-I108 HydrophobicContact CG1-CG1 3.94Å
36L98.9Very high94.5Very high0 Ų057.7 Ų57.70%031%0.31CS..EExtended strand (participates in β ladder)trans-95.1119.5175.4177.961.7000109.2L38 V65 I67 V96 V97 L102 P105 V106 V107 I108L36-L38 HydrophobicContact CD1-CD2 4.5Å; L36-L38 HydrophobicContact CD2-CD2 4.34Å; L36-L38 HydrophobicContact CG-CD2 4.16Å; L36-V65 CarbonylContact C-O 3.58Å; L36-V65 WeakPolarHBondContact CA-O 2.98Å; L36-I67 HydrophobicContact CD1-CG1 4.47Å; L36-I67 HydrophobicContact CD1-CG2 4.1Å; L36-V96 HydrophobicContact CD1-CG1 4.45Å; L36-V96 HydrophobicContact CD2-CG1 4.39Å; L36-V97 HydrophobicContact CD2-CG2 4.14Å; L36-L102 HydrophobicContact CB-CD1 4.2Å; L36-L102 HydrophobicContact CD1-CD1 4.21Å; L36-P105 HydrophobicContact CB-CB 4.45Å; L36-V106 PolarHBondContact N-O 3.39Å; L36-V107 HydrophobicContact CB-CG2 4.37Å; L36-V107 HydrophobicContact CD2-CG2 4.42Å; L36-V107 WeakPolarHBondContact O-CA 3.19Å; L36-I108 PolarHBondContact O-N 3.04Å
37L98.9Very high94.9Very high0 Ų059.7 Ų59.70%032%0.321CS..EExtended strand (participates in β ladder)trans-104.7120.3179.4-57.488.4000109.7V35 W48 T53 L54 L57 A64 V65 A66 I67 I108V35-L37 HydrophobicContact CG1-CD1 4.11Å; V35-L37 HydrophobicContact CG1-CG 4.4Å; V35-L37 WeakPolarHBondContact O-CD1 3.4Å; L37-W48 HydrophobicContact CB-CD2 4.43Å; L37-W48 HydrophobicContact CB-CG 4.29Å; L37-W48 HydrophobicContact CD2-CB 4.34Å; L37-W48 HydrophobicContact CD2-CD2 3.64Å; L37-W48 HydrophobicContact CD2-CE3 3.89Å; L37-W48 HydrophobicContact CD2-CG 3.87Å; L37-W48 HydrophobicContact CD2-CZ2 4.45Å; L37-W48 HydrophobicContact CD2-CZ3 4.4Å; L37-T53 HydrophobicContact CD2-CG2 3.78Å; L37-L54 HydrophobicContact CD1-CD2 3.71Å; L37-L54 HydrophobicContact CD2-CD2 4.25Å; L37-L57 HydrophobicContact CD1-CD1 4.09Å; L37-L57 HydrophobicContact CD2-CD1 4.16Å; L37-A64 HydrophobicContact CD1-CB 4.28Å; L37-V65 WeakPolarHBondContact CD1-O 3.45Å; L37-V65 PolarHBondContact N-O 2.8Å; L37-A66 HydrophobicContact CB-CB 4.02Å; L37-A66 WeakPolarHBondContact O-CA 3.32Å; L37-I67 PolarHBondContact O-N 2.99Å; L37-I108 HydrophobicContact CD2-CD1 4.19Å; L37-I108 HydrophobicContact CG-CB 4.48Å; L37-I108 HydrophobicContact CG-CD1 4.17Å
38L98.9Very high95.8Very high0 Ų056.4 Ų56.40%029%0.291CS..  trans-97.5175.9170.6-50-179.8000109.7L36 W48 I67 L69 L93 V107 I108 P110L36-L38 HydrophobicContact CD1-CD2 4.5Å; L36-L38 HydrophobicContact CD2-CD2 4.34Å; L36-L38 HydrophobicContact CG-CD2 4.16Å; L38-W48 PolarHBondContact O-NE1 2.76Å; L38-I67 HydrophobicContact CD2-CD1 3.85Å; L38-I67 HydrophobicContact CD2-CG1 3.82Å; L38-L69 HydrophobicContact CD2-CD2 4.44Å; L38-L93 HydrophobicContact CD1-CD1 3.86Å; L38-L93 HydrophobicContact CD1-CD2 4.46Å; L38-L93 HydrophobicContact CD2-CD2 4.08Å; L38-V107 HydrophobicContact CD1-CG1 4.08Å; L38-V107 HydrophobicContact CG-CG1 4.4Å; L38-I108 PolarHBondContact N-O 3.01Å; L38-P110 WeakPolarHBondContact O-CD 3.34Å
39H98.8Very high96.8Very high3 Ų355 Ų551%0.01426%0.261CS..  trans-137.9161.5-177.668.484.5000113.2F43 I67 L69 S113H39-F43 HydrophobicContact CB-CB 4.32Å; H39-F43 PolarHBondContact CE1-O 2.92Å; H39-F43 PolarHBondContact ND1-O 3.34Å; H39-I67 PolarHBondContact CD2-O 3.36Å; H39-I67 VanDerWaalsContact CD2-O 3.29Å; H39-L69 PolarHBondContact NE2-N 3.34Å; H39-S113 WeakPolarHBondContact O-CB 3.24Å
40G97.8Very high97.5Very high3 Ų356.8 Ų56.83%0.03127%0.273CS..  trans-80.4167.4170.600000112R42 F43G40-R42 VanDerWaalsContact C-N 3.25Å; G40-R42 PolarHBondContact O-N 3.48Å; G40-R42 VanDerWaalsContact O-N 3.13Å; G40-F43 PolarHBondContact O-N 2.91Å
41I97.6Very high98Very high83 Ų8356.8 Ų56.843%0.42627%0.266SS..THydrogen-bonded Turntrans-59-29.6-172.5-162.6167.6000115L72 I84 L112I41-L72 HydrophobicContact CG1-CD1 4.43Å; I41-L72 HydrophobicContact CG1-CD2 4.32Å; I41-I84 HydrophobicContact CD1-CD1 3.75Å; I41-L112 HydrophobicContact CB-CB 4.21Å; I41-L112 HydrophobicContact CB-CD2 3.78Å; I41-L112 HydrophobicContact CB-CG 4.41Å; I41-L112 HydrophobicContact CG1-CD2 4.04Å
42R97.2Very high98.2Very high216 Ų21654.3 Ų54.382%0.81526%0.255SS*.THydrogen-bonded Turntrans-90.81.2-179.7-65-168.3-68.2-163.1-2.6114.1G40G40-R42 VanDerWaalsContact C-N 3.25Å; G40-R42 PolarHBondContact O-N 3.48Å; G40-R42 VanDerWaalsContact O-N 3.13Å
43F98.3Very high98.4Very high113 Ų11348.5 Ų48.550%0.49624%0.236SC..  trans-127.3-179.6-172.7-58-66.8000110.2H39 G40 T47H39-F43 HydrophobicContact CB-CB 4.32Å; H39-F43 PolarHBondContact CE1-O 2.92Å; H39-F43 PolarHBondContact ND1-O 3.34Å; G40-F43 PolarHBondContact O-N 2.91Å; F43-T47 HydrophobicContact CB-CG2 4.29Å; F43-T47 WeakPolarHBondContact CB-OG1 3.48Å; F43-T47 HydrophobicContact CD1-CG2 3.69Å; F43-T47 HydrophobicContact CE1-CG2 4.38Å; F43-T47 HydrophobicContact CG-CG2 4.23Å
44S98.8Very high98.4Very high15 Ų1546.6 Ų46.611%0.10523%0.228CC..  trans-156.6-178.5178.3650000110.2E46 T47 D68S44-E46 PolarHBondContact O-N 2.76Å; S44-E46 WeakPolarHBondContact OG-CB 3.43Å; S44-E46 PolarHBondContact OG-N 2.88Å; S44-T47 PolarHBondContact N-OG1 2.7Å; S44-T47 VanDerWaalsContact O-CB 3.32Å; S44-T47 WeakPolarHBondContact O-CB 3.45Å; S44-T47 PolarHBondContact O-N 2.9Å; S44-T47 PolarHBondContact O-OG1 2.85Å; S44-D68 WeakPolarHBondContact CB-OD1 3.48Å
45S98.7Very high98.4Very high0 Ų050.2 Ų50.20%024%0.244CC..Hα-helixtrans-52.6-31.9169.161.50000113.1R21 T47 W48 Q49 D68R21-S45 WeakPolarHBondContact CD-OG 3.34Å; R21-S45 PolarHBondContact NE-OG 2.94Å; S45-T47 VanDerWaalsContact C-N 3.27Å; S45-T47 PolarHBondContact O-N 2.8Å; S45-W48 PolarHBondContact O-N 2.91Å; S45-Q49 PolarHBondContact O-N 3.35Å; S45-Q49 VanDerWaalsContact O-N 3.15Å; S45-D68 WeakPolarHBondContact CB-OD1 3.3Å; S45-D68 PolarHBondContact N-OD1 2.99Å; S45-D68 PolarHBondContact OG-OD1 3.1Å
46E98.7Very high98.3Very high97 Ų9758.3 Ų58.345%0.45327%0.274SS..Hα-helixtrans-63.1-33.4177.2-178.8176.3-116.700112S44 W48 Q49 N50S44-E46 PolarHBondContact O-N 2.76Å; S44-E46 WeakPolarHBondContact OG-CB 3.43Å; S44-E46 PolarHBondContact OG-N 2.88Å; E46-W48 VanDerWaalsContact C-N 3.33Å; E46-W48 PolarHBondContact O-N 3.03Å; E46-Q49 PolarHBondContact O-N 3.38Å; E46-N50 WeakPolarHBondContact O-CB 3.23Å; E46-N50 VanDerWaalsContact O-CG 3.29Å; E46-N50 PolarHBondContact O-N 2.96Å
47T98.8Very high98.3Very high51 Ų5159.9 Ų59.931%0.31328%0.282SS..Hα-helixtrans-61.8-42.9175.8-51.60000111F43 S44 S45 Q49 N50 L51F43-T47 HydrophobicContact CB-CG2 4.29Å; F43-T47 WeakPolarHBondContact CB-OG1 3.48Å; F43-T47 HydrophobicContact CD1-CG2 3.69Å; F43-T47 HydrophobicContact CE1-CG2 4.38Å; F43-T47 HydrophobicContact CG-CG2 4.23Å; S44-T47 PolarHBondContact N-OG1 2.7Å; S44-T47 VanDerWaalsContact O-CB 3.32Å; S44-T47 WeakPolarHBondContact O-CB 3.45Å; S44-T47 PolarHBondContact O-N 2.9Å; S44-T47 PolarHBondContact O-OG1 2.85Å; S45-T47 VanDerWaalsContact C-N 3.27Å; S45-T47 PolarHBondContact O-N 2.8Å; T47-Q49 VanDerWaalsContact C-N 3.35Å; T47-N50 PolarHBondContact O-N 3.45Å; T47-L51 VanDerWaalsContact O-CB 3.23Å; T47-L51 WeakPolarHBondContact O-CB 3.47Å; T47-L51 PolarHBondContact O-N 2.88Å
48W98.7Very high98.2Very high42 Ų4259.9 Ų59.916%0.15928%0.282CS..Hα-helixtrans-66.1-36.8176.8-69.3121.3000113L37 L38 S45 E46 L51 G52 T53 L54 A66 I108 P110L37-W48 HydrophobicContact CB-CD2 4.43Å; L37-W48 HydrophobicContact CB-CG 4.29Å; L37-W48 HydrophobicContact CD2-CB 4.34Å; L37-W48 HydrophobicContact CD2-CD2 3.64Å; L37-W48 HydrophobicContact CD2-CE3 3.89Å; L37-W48 HydrophobicContact CD2-CG 3.87Å; L37-W48 HydrophobicContact CD2-CZ2 4.45Å; L37-W48 HydrophobicContact CD2-CZ3 4.4Å; L38-W48 PolarHBondContact O-NE1 2.76Å; S45-W48 PolarHBondContact O-N 2.91Å; E46-W48 VanDerWaalsContact C-N 3.33Å; E46-W48 PolarHBondContact O-N 3.03Å; W48-L51 HydrophobicContact CE3-CD2 4.26Å; W48-L51 HydrophobicContact CZ3-CD2 4.23Å; W48-G52 PolarHBondContact O-N 3.15Å; W48-T53 HydrophobicContact CE3-CG2 3.75Å; W48-T53 HydrophobicContact CZ3-CG2 3.98Å; W48-T53 PolarHBondContact O-N 2.88Å; W48-L54 HydrophobicContact CB-CD2 4.47Å; W48-L54 HydrophobicContact CB-CG 4.2Å; W48-A66 HydrophobicContact CB-CB 4.39Å; W48-A66 HydrophobicContact CG-CB 4.5Å; W48-I108 HydrophobicContact CH2-CG2 4.13Å; W48-I108 HydrophobicContact CZ2-CG2 4.13Å; W48-P110 HydrophobicContact CZ2-CG 4.19Å
49Q98.3Very high98.1Very high60 Ų6064.2 Ų64.228%0.2830%0.302SS..Hα-helixtrans-64-51.8174.4-177.8174.3-67.900111.1R21 S45 E46 T47 L51 G52 L54R21-Q49 VanDerWaalsContact NH1-CD 3.31Å; S45-Q49 PolarHBondContact O-N 3.35Å; S45-Q49 VanDerWaalsContact O-N 3.15Å; E46-Q49 PolarHBondContact O-N 3.38Å; T47-Q49 VanDerWaalsContact C-N 3.35Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3.26Å; Q49-G52 WeakPolarHBondContact O-CA 3.33Å; Q49-G52 PolarHBondContact O-N 3.44Å; Q49-L54 HydrophobicContact CB-CD1 4.19Å
50N98.3Very high97.9Very high121 Ų12166.6 Ų66.665%0.64732%0.322SS*.Hα-helixtrans-67.2-31.8-177.1-67.8-12000112.5E46 T47 G52E46-N50 WeakPolarHBondContact O-CB 3.23Å; E46-N50 VanDerWaalsContact O-CG 3.29Å; E46-N50 PolarHBondContact O-N 2.96Å; T47-N50 PolarHBondContact O-N 3.45Å; N50-G52 PolarHBondContact O-N 3.2Å
51L98.3Very high97.9Very high114 Ų11467 Ų6760%0.59733%0.327SS*.THydrogen-bonded Turntrans-69.9-14.2171.9-172.560.1000112.6T47 W48 Q49 T53T47-L51 VanDerWaalsContact O-CB 3.23Å; T47-L51 WeakPolarHBondContact O-CB 3.47Å; T47-L51 PolarHBondContact O-N 2.88Å; W48-L51 HydrophobicContact CE3-CD2 4.26Å; W48-L51 HydrophobicContact CZ3-CD2 4.23Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3.26Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 WeakPolarHBondContact CD2-OG1 3.45Å
52G98.2Very high97.9Very high17 Ų1765.4 Ų65.418%0.17532%0.316CS..THydrogen-bonded Turntrans77.213.5-176.900000113.9W48 Q49 N50 Q55 R56W48-G52 PolarHBondContact O-N 3.15Å; Q49-G52 WeakPolarHBondContact O-CA 3.33Å; Q49-G52 PolarHBondContact O-N 3.44Å; N50-G52 PolarHBondContact O-N 3.2Å; G52-Q55 PolarHBondContact O-N 2.92Å; G52-R56 WeakPolarHBondContact O-CG 3.2Å; G52-R56 PolarHBondContact O-N 3.42Å
53T98.6Very high97.9Very high29 Ų2956.4 Ų56.418%0.17828%0.282CS..Hα-helixtrans-68.9-41.9-175.9-57.80000111.6L37 W48 L51 Q55 R56 L57L37-T53 HydrophobicContact CD2-CG2 3.78Å; W48-T53 HydrophobicContact CE3-CG2 3.75Å; W48-T53 HydrophobicContact CZ3-CG2 3.98Å; W48-T53 PolarHBondContact O-N 2.88Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 WeakPolarHBondContact CD2-OG1 3.45Å; T53-Q55 VanDerWaalsContact C-N 3.31Å; T53-Q55 PolarHBondContact O-N 2.99Å; T53-R56 PolarHBondContact O-N 2.88Å; T53-L57 HydrophobicContact CG2-CD1 4.12Å; T53-L57 WeakPolarHBondContact O-CG 3.26Å; T53-L57 PolarHBondContact O-N 2.95Å
54L98.4Very high98Very high2 Ų251 Ų511%0.0126%0.258CS..Hα-helixtrans-58.9-44.8176.6-62.6-180000111.4R21 T23 L37 W48 Q49 L57 A58 A64 A66R21-L54 HydrophobicContact CB-CD1 3.87Å; T23-L54 WeakPolarHBondContact OG1-CB 3.35Å; L37-L54 HydrophobicContact CD1-CD2 3.71Å; L37-L54 HydrophobicContact CD2-CD2 4.25Å; W48-L54 HydrophobicContact CB-CD2 4.47Å; W48-L54 HydrophobicContact CB-CG 4.2Å; Q49-L54 HydrophobicContact CB-CD1 4.19Å; L54-L57 PolarHBondContact O-N 3.19Å; L54-A58 PolarHBondContact O-N 3.24Å; L54-A58 VanDerWaalsContact O-N 3.09Å; L54-A64 HydrophobicContact CB-CB 4.4Å; L54-A64 HydrophobicContact CD2-CB 3.82Å; L54-A66 HydrophobicContact CD1-CB 4.39Å; L54-A66 HydrophobicContact CD2-CB 3.99Å
55Q97.3Very high98Very high82 Ų8250.3 Ų50.338%0.38325%0.253SS..Hα-helixtrans-63-49.7177.5178173.1-3.500112V4 G52 T53 L57 A58 E59V4-Q55 HydrophobicContact CG2-CG 4.42Å; G52-Q55 PolarHBondContact O-N 2.92Å; T53-Q55 VanDerWaalsContact C-N 3.31Å; T53-Q55 PolarHBondContact O-N 2.99Å; Q55-L57 VanDerWaalsContact C-N 3.29Å; Q55-L57 PolarHBondContact O-N 2.99Å; Q55-A58 PolarHBondContact O-N 3.22Å; Q55-A58 VanDerWaalsContact O-N 3.14Å; Q55-E59 HydrophobicContact CG-CG 4.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.11Å; Q55-E59 PolarHBondContact NE2-OE1 2.91Å; Q55-E59 WeakPolarHBondContact O-CG 3.31Å; Q55-E59 PolarHBondContact O-N 2.9Å
56R97.9Very high98Very high177 Ų17750.3 Ų50.367%0.66825%0.253SS*.Hα-helixtrans-61.3-37-179.6-72.1-173.8-163.5-83.73.5112.8G52 T53 A60G52-R56 WeakPolarHBondContact O-CG 3.2Å; G52-R56 PolarHBondContact O-N 3.42Å; T53-R56 PolarHBondContact O-N 2.88Å; R56-A60 WeakPolarHBondContact O-CB 3.18Å; R56-A60 PolarHBondContact O-N 2.82Å; R56-A60 VanDerWaalsContact O-N 3.12Å
57L98.1Very high98Very high33 Ų3345.7 Ų45.717%0.17323%0.232CC..Hα-helixtrans-66.4-42.3175.6-73.9172.5000111.5V35 L37 T53 L54 Q55 A60 G61 Y62 A64V35-L57 HydrophobicContact CB-CD1 4.21Å; V35-L57 HydrophobicContact CG1-CD1 3.96Å; V35-L57 HydrophobicContact CG2-CD2 4.47Å; L37-L57 HydrophobicContact CD1-CD1 4.09Å; L37-L57 HydrophobicContact CD2-CD1 4.16Å; T53-L57 HydrophobicContact CG2-CD1 4.12Å; T53-L57 WeakPolarHBondContact O-CG 3.26Å; T53-L57 PolarHBondContact O-N 2.95Å; L54-L57 PolarHBondContact O-N 3.19Å; Q55-L57 VanDerWaalsContact C-N 3.29Å; Q55-L57 PolarHBondContact O-N 2.99Å; L57-A60 CarbonylContact O-C 3.56Å; L57-A60 PolarHBondContact O-N 2.86Å; L57-G61 PolarHBondContact O-N 3.48Å; L57-Y62 HydrophobicContact CB-CD2 4.47Å; L57-Y62 HydrophobicContact CD2-CD2 3.97Å; L57-Y62 HydrophobicContact CD2-CE2 4.5Å; L57-Y62 WeakPolarHBondContact O-CB 3.37Å; L57-Y62 VanDerWaalsContact O-CD2 3.29Å; L57-Y62 WeakPolarHBondContact O-CD2 3.45Å; L57-Y62 PolarHBondContact O-N 2.92Å; L57-A64 HydrophobicContact CB-CB 3.75Å; L57-A64 HydrophobicContact CD1-CB 3.94Å
58A97.2Very high98Very high0 Ų043.4 Ų43.40%022%0.217CC..Hα-helixtrans-64.6-43.9175.800000113V4 T23 L54 Q55 A60 G61 Y62V4-A58 HydrophobicContact CB-CB 4.26Å; V4-A58 HydrophobicContact CG1-CB 3.8Å; T23-A58 HydrophobicContact CG2-CB 3.5Å; T23-A58 VanDerWaalsContact CG2-CB 3.5Å; L54-A58 PolarHBondContact O-N 3.24Å; L54-A58 VanDerWaalsContact O-N 3.09Å; Q55-A58 PolarHBondContact O-N 3.22Å; Q55-A58 VanDerWaalsContact O-N 3.14Å; A58-A60 PolarHBondContact O-N 2.8Å; A58-G61 PolarHBondContact O-N 2.98Å; A58-Y62 VanDerWaalsContact CA-O 3.3Å; A58-Y62 WeakPolarHBondContact CA-O 3.47Å
59E95.6Very high98Very high91 Ų9141.4 Ų41.443%0.42521%0.21SC..Hα-helixtrans-60.1-28.1173.8-71.3171.9175.100112.3V4 Q55 G61V4-E59 HydrophobicContact CG1-CG 3.91Å; Q55-E59 HydrophobicContact CG-CG 4.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.11Å; Q55-E59 PolarHBondContact NE2-OE1 2.91Å; Q55-E59 WeakPolarHBondContact O-CG 3.31Å; Q55-E59 PolarHBondContact O-N 2.9Å; E59-G61 VanDerWaalsContact C-N 3.31Å
60A96.1Very high98Very high53 Ų5338.9 Ų38.944%0.43820%0.199SC..THydrogen-bonded Turntrans-85.55.3174.200000114.3R56 L57 A58 Y62R56-A60 WeakPolarHBondContact O-CB 3.18Å; R56-A60 PolarHBondContact O-N 2.82Å; R56-A60 VanDerWaalsContact O-N 3.12Å; L57-A60 CarbonylContact O-C 3.56Å; L57-A60 PolarHBondContact O-N 2.86Å; A58-A60 PolarHBondContact O-N 2.8Å; A60-Y62 HydrophobicContact CB-CD2 3.82Å; A60-Y62 HydrophobicContact CB-CE2 3.67Å
61G96.6Very high98Very high12 Ų1235 Ų3512%0.12419%0.187CC..THydrogen-bonded Turntrans89.515.1175.100000115.4R32 L57 A58 E59R32-G61 PolarHBondContact N-O 3.33Å; L57-G61 PolarHBondContact O-N 3.48Å; A58-G61 PolarHBondContact O-N 2.98Å; E59-G61 VanDerWaalsContact C-N 3.31Å
62Y98Very high98Very high49 Ų4931.4 Ų31.419%0.19217%0.168CC..  trans-104.4145.8179-50-69.9000112.2P25 R32 F33 V35 L57 A58 A60 A64P25-Y62 WeakPolarHBondContact CD-O 3.26Å; R32-Y62 HydrophobicContact CB-CD1 4.15Å; R32-Y62 HydrophobicContact CB-CE1 4.33Å; R32-Y62 VanDerWaalsContact NH1-CE1 3.34Å; R32-Y62 PolarHBondContact NH1-OH 3.45Å; F33-Y62 HydrophobicContact CD1-CE1 4.49Å; F33-Y62 AromaticContact CD2-CD1 3.95Å; F33-Y62 HydrophobicContact CD2-CD1 3.95Å; F33-Y62 HydrophobicContact CD2-CE1 4.32Å; F33-Y62 HydrophobicContact CE1-CD1 4.27Å; F33-Y62 AromaticContact CE1-CE1 3.8Å; F33-Y62 HydrophobicContact CE1-CE1 3.8Å; F33-Y62 AromaticContact CE2-CD1 3.6Å; F33-Y62 HydrophobicContact CE2-CD1 3.6Å; F33-Y62 AromaticContact CE2-CE1 3.58Å; F33-Y62 HydrophobicContact CE2-CE1 3.58Å; F33-Y62 HydrophobicContact CG-CD1 4.43Å; F33-Y62 AromaticContact CZ-CD1 3.79Å; F33-Y62 HydrophobicContact CZ-CD1 3.79Å; F33-Y62 AromaticContact CZ-CE1 3.29Å; F33-Y62 HydrophobicContact CZ-CE1 3.29Å; V35-Y62 HydrophobicContact CG2-CG 4.28Å; L57-Y62 HydrophobicContact CB-CD2 4.47Å; L57-Y62 HydrophobicContact CD2-CD2 3.97Å; L57-Y62 HydrophobicContact CD2-CE2 4.5Å; L57-Y62 WeakPolarHBondContact O-CB 3.37Å; L57-Y62 VanDerWaalsContact O-CD2 3.29Å; L57-Y62 WeakPolarHBondContact O-CD2 3.45Å; L57-Y62 PolarHBondContact O-N 2.92Å; A58-Y62 VanDerWaalsContact CA-O 3.3Å; A58-Y62 WeakPolarHBondContact CA-O 3.47Å; A60-Y62 HydrophobicContact CB-CD2 3.82Å; A60-Y62 HydrophobicContact CB-CE2 3.67Å; Y62-A64 PolarHBondContact O-N 2.9Å
63R97.9Very high97.9Very high27 Ų2731.9 Ų31.910%0.10217%0.173CC..EExtended strand (participates in β ladder)trans-80.4107.2168172.1179.3-177-155.3-5.3108.4E22 R24 V31 F33 S34 V35 V65 L100 E101E22-R63 IonicContact OE1-CZ 3.19Å; E22-R63 IonicContact OE1-NE 2.7Å; E22-R63 PolarHBondContact OE1-NE 2.98Å; E22-R63 IonicContact OE1-NH2 2.82Å; E22-R63 PolarHBondContact OE1-NH2 2.83Å; R24-R63 HydrophobicContact CG-CG 4.28Å; R24-R63 VanDerWaalsContact NH2-CZ 3.27Å; V31-R63 HydrophobicContact CG1-CB 3.64Å; F33-R63 PolarHBondContact O-N 3.36Å; F33-R63 VanDerWaalsContact O-N 3.1Å; S34-R63 CarbonylContact C-O 3.51Å; S34-R63 VanDerWaalsContact CA-O 3.29Å; S34-R63 WeakPolarHBondContact CA-O 3.48Å; V35-R63 PolarHBondContact N-O 2.79Å; R63-V65 HydrophobicContact CG-CG2 4.15Å; R63-L100 VanDerWaalsContact CZ-O 3.32Å; R63-L100 PolarHBondContact NH1-O 3.47Å; R63-L100 PolarHBondContact NH2-O 3.09Å; R63-E101 PolarHBondContact NH1-O 3.05Å
64A98.6Very high97.9Very high0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-96.7123.2-178.100000110.4E22 T23 L37 L54 L57 Y62E22-A64 CarbonylContact C-O 3.54Å; E22-A64 VanDerWaalsContact CA-O 3.3Å; E22-A64 WeakPolarHBondContact CA-O 3.42Å; T23-A64 PolarHBondContact N-O 2.82Å; T23-A64 PolarHBondContact O-N 2.98Å; L37-A64 HydrophobicContact CD1-CB 4.28Å; L54-A64 HydrophobicContact CB-CB 4.4Å; L54-A64 HydrophobicContact CD2-CB 3.82Å; L57-A64 HydrophobicContact CB-CB 3.75Å; L57-A64 HydrophobicContact CD1-CB 3.94Å; Y62-A64 PolarHBondContact O-N 2.9Å
65V98.8Very high97.9Very high0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-128.3121.8178.3-174.80000109.6F20 R21 E22 V35 L36 L37 R63 L100 L102F20-V65 HydrophobicContact CB-CG1 4.34Å; F20-V65 HydrophobicContact CD2-CG1 3.99Å; R21-V65 CarbonylContact O-C 3.54Å; R21-V65 WeakPolarHBondContact O-CA 3.36Å; E22-V65 HydrophobicContact CB-CG2 4.24Å; E22-V65 HydrophobicContact CG-CG2 3.96Å; E22-V65 WeakPolarHBondContact OE1-CG2 3.42Å; V35-V65 PolarHBondContact O-N 2.83Å; L36-V65 CarbonylContact C-O 3.58Å; L36-V65 WeakPolarHBondContact CA-O 2.98Å; L37-V65 WeakPolarHBondContact CD1-O 3.45Å; L37-V65 PolarHBondContact N-O 2.8Å; R63-V65 HydrophobicContact CG-CG2 4.15Å; V65-L100 HydrophobicContact CG1-CD1 3.86Å; V65-L102 HydrophobicContact CB-CD2 4.45Å; V65-L102 HydrophobicContact CG2-CD2 3.83Å
66A98.9Very high97.8Very high0 Ų040.9 Ų40.90%021%0.205CC..EExtended strand (participates in β ladder)trans-110.3128.2171.400000110F20 R21 L37 W48 L54F20-A66 CarbonylContact C-O 3.53Å; F20-A66 VanDerWaalsContact CA-O 3.24Å; F20-A66 WeakPolarHBondContact CA-O 3.44Å; R21-A66 PolarHBondContact N-O 3.37Å; R21-A66 PolarHBondContact O-N 2.81Å; L37-A66 HydrophobicContact CB-CB 4.02Å; L37-A66 WeakPolarHBondContact O-CA 3.32Å; W48-A66 HydrophobicContact CB-CB 4.39Å; W48-A66 HydrophobicContact CG-CB 4.5Å; L54-A66 HydrophobicContact CD1-CB 4.39Å; L54-A66 HydrophobicContact CD2-CB 3.99Å
67I98.8Very high97.8Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-102.3153.4175.564.1163.6000110.7F19 F20 L36 L37 L38 H39 L69 L93 V96 L100F19-I67 WeakPolarHBondContact O-CA 3.25Å; F20-I67 HydrophobicContact CB-CG2 3.94Å; L36-I67 HydrophobicContact CD1-CG1 4.47Å; L36-I67 HydrophobicContact CD1-CG2 4.1Å; L37-I67 PolarHBondContact O-N 2.99Å; L38-I67 HydrophobicContact CD2-CD1 3.85Å; L38-I67 HydrophobicContact CD2-CG1 3.82Å; H39-I67 PolarHBondContact CD2-O 3.36Å; H39-I67 VanDerWaalsContact CD2-O 3.29Å; I67-L69 HydrophobicContact CD1-CD2 4.09Å; I67-L93 HydrophobicContact CD1-CD2 4.43Å; I67-V96 HydrophobicContact CD1-CG1 4.16Å; I67-V96 HydrophobicContact CD1-CG2 4.26Å; I67-V96 HydrophobicContact CG2-CG1 4.19Å; I67-L100 HydrophobicContact CG2-CD1 4.17Å
68D98.8Very high97.8Very high2 Ų240.1 Ų40.11%0.01121%0.208CC..PPolyproline II helixtrans-90.4119.4162.7-73.3-4.5000108.8F19 S44 S45 G73 R74 S75F19-D68 HydrophobicContact CB-CB 4.33Å; F19-D68 HydrophobicContact CD1-CB 4.5Å; F19-D68 WeakPolarHBondContact CD1-OD2 3.37Å; F19-D68 PolarHBondContact O-N 3.3Å; S44-D68 WeakPolarHBondContact CB-OD1 3.48Å; S45-D68 WeakPolarHBondContact CB-OD1 3.3Å; S45-D68 PolarHBondContact N-OD1 2.99Å; S45-D68 PolarHBondContact OG-OD1 3.1Å; D68-G73 WeakPolarHBondContact OD2-CA 3.47Å; D68-R74 PolarHBondContact OD2-N 3.37Å; D68-S75 WeakPolarHBondContact CB-OG 3.37Å; D68-S75 VanDerWaalsContact O-CB 3.28Å; D68-S75 WeakPolarHBondContact O-CB 3.35Å; D68-S75 PolarHBondContact O-OG 3.42Å
69L98.7Very high97.8Very high0 Ų043 Ų430%023%0.232CC..PPolyproline II helixtrans-64.4153.9179.6-70.5171.6000111.2L38 H39 I67 G71 L72 F92 Y116L38-L69 HydrophobicContact CD2-CD2 4.44Å; H39-L69 PolarHBondContact NE2-N 3.34Å; I67-L69 HydrophobicContact CD1-CD2 4.09Å; L69-G71 PolarHBondContact O-N 3.02Å; L69-L72 HydrophobicContact CB-CD1 4.43Å; L69-L72 WeakPolarHBondContact O-CB 3.36Å; L69-L72 PolarHBondContact O-N 3.37Å; L69-F92 HydrophobicContact CD2-CE1 4.49Å; L69-Y116 HydrophobicContact CD1-CD2 4.07Å; L69-Y116 HydrophobicContact CD1-CE2 4.03Å; L69-Y116 HydrophobicContact CD2-CD1 4.44Å; L69-Y116 HydrophobicContact CD2-CD2 3.99Å; L69-Y116 HydrophobicContact CD2-CE2 4.11Å; L69-Y116 HydrophobicContact CD2-CG 4.17Å
70P98.5Very high97.8Very high7 Ų741.1 Ų41.15%0.04523%0.232CC..THydrogen-bonded Turntrans-52.3134.7-178.7-25.232.2000113L18 L72 A78 A80 F92L18-P70 HydrophobicContact CD2-CG 4Å; P70-L72 PolarHBondContact O-N 3.19Å; P70-A78 CarbonylContact C-O 3.42Å; P70-A78 HydrophobicContact CB-CB 3.98Å; P70-A80 HydrophobicContact CB-CB 4.35Å; P70-F92 HydrophobicContact CG-CE1 4.47Å; P70-F92 HydrophobicContact CG-CE2 3.93Å; P70-F92 HydrophobicContact CG-CZ 3.57Å
71G97.8Very high97.8Very high39 Ų3940.7 Ų40.740%0.40223%0.225SC..THydrogen-bonded Turntrans80.6-1.8179.200000114.1L69 S75 A78L69-G71 PolarHBondContact O-N 3.02Å; G71-S75 PolarHBondContact N-O 3.31Å; G71-A78 WeakPolarHBondContact CA-O 3.24Å; G71-A78 PolarHBondContact N-O 2.76Å
72L98.3Very high97.9Very high40 Ų4040.8 Ų40.821%0.20922%0.224CC..SBendtrans-126.2162.5-174.1-59.4175.3000111.7I41 L69 P70 R74 S75 L112I41-L72 HydrophobicContact CG1-CD1 4.43Å; I41-L72 HydrophobicContact CG1-CD2 4.32Å; L69-L72 HydrophobicContact CB-CD1 4.43Å; L69-L72 WeakPolarHBondContact O-CB 3.36Å; L69-L72 PolarHBondContact O-N 3.37Å; P70-L72 PolarHBondContact O-N 3.19Å; L72-R74 PolarHBondContact O-N 2.6Å; L72-S75 CarbonylContact O-C 3.53Å; L72-S75 WeakPolarHBondContact O-CA 3.48Å; L72-S75 WeakPolarHBondContact O-CB 3.4Å; L72-S75 PolarHBondContact O-N 2.76Å; L72-L112 HydrophobicContact CD1-CD2 3.52Å
73G97.8Very high97.8Very high26 Ų2642.2 Ų42.227%0.26824%0.24SC..THydrogen-bonded Turntrans56.9-124.4177.300000112.7D68 K76D68-G73 WeakPolarHBondContact OD2-CA 3.47Å; G73-K76 WeakPolarHBondContact O-CE 3.1Å; G73-K76 WeakPolarHBondContact O-CG 3.4Å
74R98.4Very high97.7Very high153 Ų15346.7 Ų46.758%0.57727%0.265SS*.THydrogen-bonded Turntrans-95.42.9173.2-64178.575.6177.33.9113E8 F19 D68 L72E8-R74 IonicContact OE2-NH1 2.92Å; E8-R74 PolarHBondContact OE2-NH1 3.02Å; F19-R74 HydrophobicContact CB-CB 3.63Å; F19-R74 HydrophobicContact CD1-CB 3.81Å; F19-R74 HydrophobicContact CD1-CG 4.22Å; F19-R74 HydrophobicContact CD2-CB 4.11Å; F19-R74 VanDerWaalsContact CE2-CZ 3.49Å; F19-R74 HydrophobicContact CG-CB 3.56Å; F19-R74 HydrophobicContact CG-CG 4.32Å; D68-R74 PolarHBondContact OD2-N 3.37Å; L72-R74 PolarHBondContact O-N 2.6Å
75S98.1Very high97.4Very high3 Ų348.2 Ų48.22%0.02128%0.28CS..  trans-98.428.9173.3-58.60000112.6L18 F19 D68 G71 L72 E77 A78L18-S75 WeakPolarHBondContact CA-OG 3.32Å; F19-S75 PolarHBondContact N-OG 2.92Å; D68-S75 WeakPolarHBondContact CB-OG 3.37Å; D68-S75 VanDerWaalsContact O-CB 3.28Å; D68-S75 WeakPolarHBondContact O-CB 3.35Å; D68-S75 PolarHBondContact O-OG 3.42Å; G71-S75 PolarHBondContact N-O 3.31Å; L72-S75 CarbonylContact O-C 3.53Å; L72-S75 WeakPolarHBondContact O-CA 3.48Å; L72-S75 WeakPolarHBondContact O-CB 3.4Å; L72-S75 PolarHBondContact O-N 2.76Å; S75-E77 VanDerWaalsContact C-N 3.28Å; S75-E77 PolarHBondContact O-N 2.59Å; S75-A78 WeakPolarHBondContact O-CB 3.44Å; S75-A78 PolarHBondContact O-N 2.9Å; S75-A78 VanDerWaalsContact O-N 3.09Å
76K96.1Very high97.4Very high147 Ų14753.6 Ų53.664%0.63931%0.306SS*.THydrogen-bonded Turntrans-60.5-33-172.3-61.8-173.7-179.5-179.90114.4G73 A78G73-K76 WeakPolarHBondContact O-CE 3.1Å; G73-K76 WeakPolarHBondContact O-CG 3.4Å; K76-A78 VanDerWaalsContact C-N 3.27Å; K76-A78 PolarHBondContact O-N 3.4Å
77E96.9Very high97.3Very high188 Ų18856.4 Ų56.488%0.87932%0.323SS*.THydrogen-bonded Turntrans-78.4-12.4-179.2-56.4-55.4134.700112.8S75S75-E77 VanDerWaalsContact C-N 3.28Å; S75-E77 PolarHBondContact O-N 2.59Å
78A97.6Very high97.2Very high5 Ų556.5 Ų56.54%0.04133%0.325CS..SBendtrans-81128176.100000110.3Q16 L18 P70 G71 S75 K76Q16-A78 HydrophobicContact CB-CB 4.13Å; Q16-A78 VanDerWaalsContact OE1-CA 3.26Å; L18-A78 HydrophobicContact CD2-CB 3.81Å; P70-A78 CarbonylContact C-O 3.42Å; P70-A78 HydrophobicContact CB-CB 3.98Å; G71-A78 WeakPolarHBondContact CA-O 3.24Å; G71-A78 PolarHBondContact N-O 2.76Å; S75-A78 WeakPolarHBondContact O-CB 3.44Å; S75-A78 PolarHBondContact O-N 2.9Å; S75-A78 VanDerWaalsContact O-N 3.09Å; K76-A78 VanDerWaalsContact C-N 3.27Å; K76-A78 PolarHBondContact O-N 3.4Å
79A97.6Very high97.1Very high61 Ų6159.3 Ų59.350%0.50434%0.343SS..PPolyproline II helixtrans-74.3133.1171.700000111.1Q16Q16-A79 PolarHBondContact NE2-O 2.99Å; Q16-A79 PolarHBondContact OE1-O 3.5Å
80A96.3Very high97Very high51 Ų5160 Ų6042%0.42135%0.349SS..PPolyproline II helixtrans-63.3137.2172.100000110.8P70 A82P70-A80 HydrophobicContact CB-CB 4.35Å; A80-A82 PolarHBondContact O-N 3.15Å
81P96.1Very high96.9Very high44 Ų4463 Ų6329%0.28637%0.371SS..SBendtrans-74.5-8.5-178.732.9-38.1000113.3A88 F92 Y116P81-A88 HydrophobicContact CG-CB 3.9Å; P81-F92 HydrophobicContact CG-CD2 4.18Å; P81-F92 HydrophobicContact CG-CG 4.3Å; P81-Y116 HydrophobicContact CG-CD1 4.47Å; P81-Y116 HydrophobicContact CG-CE1 3.75Å
82A97.3Very high96.9Very high14 Ų1461.3 Ų61.312%0.11635%0.352CS..SBendtrans-151.3155.1173.600000110.7A80 E86 A88 M115A80-A82 PolarHBondContact O-N 3.15Å; A82-E86 HydrophobicContact CB-CB 4.49Å; A82-A88 HydrophobicContact CB-CB 4.23Å; A82-M115 HydrophobicContact CB-CE 4.26Å
83P97.1Very high96.9Very high79 Ų7959.4 Ų59.451%0.51334%0.342SS..  trans-61.5153.6170.8-20.733.1000112.7G85 E86 M115P83-G85 PolarHBondContact O-N 3.48Å; P83-E86 PolarHBondContact O-N 3.13Å; P83-E86 VanDerWaalsContact O-N 3.11Å; P83-M115 WeakPolarHBondContact O-CE 3.47Å
84I95.8Very high96.9Very high122 Ų12259.6 Ų59.663%0.62634%0.342SS*.THydrogen-bonded Turntrans-59.9127.9175.6-63.6172.8000109.8I41 L112I41-I84 HydrophobicContact CD1-CD1 3.75Å; I84-L112 HydrophobicContact CG1-CD1 4.26Å; I84-L112 HydrophobicContact CG2-CD1 3.95Å
85G92.6Very high96.8Very high32 Ų3253.4 Ų53.433%0.3332%0.323SS..THydrogen-bonded Turntrans97.7-10.7-178.900000114P83 C138P83-G85 PolarHBondContact O-N 3.48Å; G85-C138 VanDerWaalsContact C-SG 3.58Å; G85-C138 PolarHBondContact O-SG 3.24Å; G85-C138 VanDerWaalsContact O-SG 3.32Å
86E97.3Very high96.8Very high113 Ų11353.2 Ų53.253%0.52832%0.322SS..SBendtrans-103.5140.8173.5-66.6-176.6-165.100111.1A82 P83 A88 M115A82-E86 HydrophobicContact CB-CB 4.49Å; P83-E86 PolarHBondContact O-N 3.13Å; P83-E86 VanDerWaalsContact O-N 3.11Å; E86-A88 PolarHBondContact O-N 3.28Å; E86-M115 VanDerWaalsContact O-CE 3.29Å; E86-M115 WeakPolarHBondContact O-CE 3.49Å
87P97.1Very high96.9Very high58 Ų5846.8 Ų46.838%0.37730%0.295SS..PPolyproline II helixtrans-62.1126176.6-18.831000111.5P119 K141P87-P119 HydrophobicContact CB-CG 3.57Å; P87-K141 HydrophobicContact CG-CB 3.67Å; P87-K141 HydrophobicContact CG-CG 4.09Å
88A97.8Very high97Very high3 Ų343.4 Ų43.43%0.02528%0.283CS..PPolyproline II helixtrans-70.9157.3171.300000110.8P81 A82 E86 G90 M115 Y116 P119P81-A88 HydrophobicContact CG-CB 3.9Å; A82-A88 HydrophobicContact CB-CB 4.23Å; E86-A88 PolarHBondContact O-N 3.28Å; A88-G90 PolarHBondContact O-N 3.11Å; A88-M115 WeakPolarHBondContact CB-O 3.3Å; A88-M115 PolarHBondContact N-O 2.65Å; A88-Y116 HydrophobicContact CB-CD1 3.69Å; A88-Y116 HydrophobicContact CB-CE1 3.96Å; A88-Y116 HydrophobicContact CB-CG 4.27Å; A88-P119 WeakPolarHBondContact O-CB 3.43Å; A88-P119 VanDerWaalsContact O-CG 3.23Å; A88-P119 WeakPolarHBondContact O-CG 3.42Å
89P97.1Very high97Very high61 Ų6146.2 Ų46.240%0.39630%0.299SS..PPolyproline II helixtrans-57124.2171.9-23.434.1000111.1S91 F92P89-S91 PolarHBondContact O-N 3.3Å; P89-S91 VanDerWaalsContact O-N 3.08Å; P89-F92 VanDerWaalsContact O-CB 3.23Å; P89-F92 WeakPolarHBondContact O-CB 3.34Å; P89-F92 PolarHBondContact O-N 2.85Å
90G95.3Very high97Very high13 Ų1343.8 Ų43.813%0.13428%0.278CS..THydrogen-bonded Turntrans-58.4-23.9178.300000113.6A88 F92 L93 A94A88-G90 PolarHBondContact O-N 3.11Å; G90-F92 PolarHBondContact O-N 3.36Å; G90-L93 PolarHBondContact O-N 3.06Å; G90-A94 PolarHBondContact O-N 3.35Å
91S96.6Very high97Very high70 Ų7049.2 Ų49.249%0.4929%0.294SS..Hα-helixtrans-62.1-18.5172.759.50000113.9Q14 P89 A95Q14-S91 PolarHBondContact NE2-O 3.28Å; P89-S91 PolarHBondContact O-N 3.3Å; P89-S91 VanDerWaalsContact O-N 3.08Å; S91-A95 WeakPolarHBondContact O-CB 3.33Å; S91-A95 PolarHBondContact O-N 2.95Å
92F97.9Very high97Very high4 Ų447.5 Ų47.52%0.01828%0.283CS..Hα-helixtrans-63.7-53.9175.6176-96.9000111.6V13 L18 L69 P70 P81 P89 G90 A94 A95 V96 Y116V13-F92 HydrophobicContact CG1-CD2 4.21Å; V13-F92 HydrophobicContact CG1-CE2 4.05Å; L18-F92 HydrophobicContact CD1-CE2 4.09Å; L18-F92 HydrophobicContact CD1-CZ 3.62Å; L69-F92 HydrophobicContact CD2-CE1 4.49Å; P70-F92 HydrophobicContact CG-CE1 4.47Å; P70-F92 HydrophobicContact CG-CE2 3.93Å; P70-F92 HydrophobicContact CG-CZ 3.57Å; P81-F92 HydrophobicContact CG-CD2 4.18Å; P81-F92 HydrophobicContact CG-CG 4.3Å; P89-F92 VanDerWaalsContact O-CB 3.23Å; P89-F92 WeakPolarHBondContact O-CB 3.34Å; P89-F92 PolarHBondContact O-N 2.85Å; G90-F92 PolarHBondContact O-N 3.36Å; F92-A94 VanDerWaalsContact C-N 3.33Å; F92-A95 PolarHBondContact O-N 2.71Å; F92-V96 HydrophobicContact CE1-CG2 4.17Å; F92-V96 HydrophobicContact CZ-CG2 4.36Å; F92-V96 WeakPolarHBondContact O-CG2 3.48Å; F92-V96 PolarHBondContact O-N 3.1Å; F92-Y116 AromaticContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CD1 3.52Å; F92-Y116 AromaticContact CD1-CE1 3.98Å; F92-Y116 HydrophobicContact CD1-CE1 3.98Å; F92-Y116 AromaticContact CE1-CD1 3.72Å; F92-Y116 HydrophobicContact CE1-CD1 3.72Å; F92-Y116 AromaticContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CG-CD1 4.32Å; F92-Y116 HydrophobicContact CZ-CE1 4.45Å
93L98Very high97Very high0 Ų048.7 Ų48.70%030%0.297CS..Hα-helixtrans-72.1-29.1178.6-70.9-175.4000112.2L38 I67 G90 A95 V96 V97 Y116 F120L38-L93 HydrophobicContact CD1-CD1 3.86Å; L38-L93 HydrophobicContact CD1-CD2 4.46Å; L38-L93 HydrophobicContact CD2-CD2 4.08Å; I67-L93 HydrophobicContact CD1-CD2 4.43Å; G90-L93 PolarHBondContact O-N 3.06Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-V96 HydrophobicContact CD2-CG2 4.33Å; L93-V96 WeakPolarHBondContact O-CB 3.37Å; L93-V96 PolarHBondContact O-N 3.48Å; L93-V97 WeakPolarHBondContact O-CB 3.48Å; L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.49Å; L93-V97 PolarHBondContact O-N 2.98Å; L93-Y116 WeakPolarHBondContact CD1-O 3.34Å; L93-F120 HydrophobicContact CB-CB 3.91Å; L93-F120 HydrophobicContact CB-CD1 3.58Å; L93-F120 HydrophobicContact CB-CD2 4.2Å; L93-F120 HydrophobicContact CB-CE1 4.06Å; L93-F120 HydrophobicContact CB-CG 3.64Å; L93-F120 HydrophobicContact CD1-CB 4.01Å; L93-F120 HydrophobicContact CD1-CD1 3.91Å; L93-F120 HydrophobicContact CD1-CG 4.28Å; L93-F120 HydrophobicContact CG-CB 4.46Å; L93-F120 HydrophobicContact CG-CD1 4.43Å
94A97.6Very high97Very high31 Ų3147.7 Ų47.726%0.25629%0.29SS..Hα-helixtrans-57.1-48.816900000110.8G90 F92 V96 V97 D98 F120G90-A94 PolarHBondContact O-N 3.35Å; F92-A94 VanDerWaalsContact C-N 3.33Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 3.45Å; A94-V97 PolarHBondContact O-N 3.37Å; A94-V97 VanDerWaalsContact O-N 3.16Å; A94-D98 VanDerWaalsContact O-CG 3.3Å; A94-D98 PolarHBondContact O-N 3.28Å; A94-F120 HydrophobicContact CB-CD2 4.26Å; A94-F120 HydrophobicContact CB-CE2 3.85Å
95A97.6Very high97.1Very high22 Ų2242 Ų4218%0.18226%0.261CS..Hα-helixtrans-63.2-35.5177.100000113.1V13 Q14 S91 F92 L93 T99V13-A95 HydrophobicContact CG1-CB 3.89Å; Q14-A95 HydrophobicContact CG-CB 4.27Å; S91-A95 WeakPolarHBondContact O-CB 3.33Å; S91-A95 PolarHBondContact O-N 2.95Å; F92-A95 PolarHBondContact O-N 2.71Å; L93-A95 VanDerWaalsContact C-N 3.33Å; A95-T99 VanDerWaalsContact O-CB 3.24Å; A95-T99 WeakPolarHBondContact O-CB 3.3Å; A95-T99 PolarHBondContact O-N 2.72Å; A95-T99 PolarHBondContact O-OG1 3.43Å
96V98.3Very high97.4Very high0 Ų041.5 Ų41.50%025%0.251CS..Hα-helixtrans-60.9-50.1171.8171.10000110.8I11 V13 L18 L36 I67 F92 L93 A94 D98 T99 L100I11-V96 HydrophobicContact CD1-CG1 4.41Å; V13-V96 HydrophobicContact CG1-CG2 4.01Å; V13-V96 HydrophobicContact CG2-CG2 4Å; L18-V96 HydrophobicContact CD1-CG2 4.19Å; L36-V96 HydrophobicContact CD1-CG1 4.45Å; L36-V96 HydrophobicContact CD2-CG1 4.39Å; I67-V96 HydrophobicContact CD1-CG1 4.16Å; I67-V96 HydrophobicContact CD1-CG2 4.26Å; I67-V96 HydrophobicContact CG2-CG1 4.19Å; F92-V96 HydrophobicContact CE1-CG2 4.17Å; F92-V96 HydrophobicContact CZ-CG2 4.36Å; F92-V96 WeakPolarHBondContact O-CG2 3.48Å; F92-V96 PolarHBondContact O-N 3.1Å; L93-V96 HydrophobicContact CD2-CG2 4.33Å; L93-V96 WeakPolarHBondContact O-CB 3.37Å; L93-V96 PolarHBondContact O-N 3.48Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 3.45Å; V96-D98 VanDerWaalsContact C-N 3.33Å; V96-D98 PolarHBondContact O-N 3.36Å; V96-T99 PolarHBondContact O-N 2.9Å; V96-L100 HydrophobicContact CG1-CD1 3.8Å; V96-L100 WeakPolarHBondContact O-CB 3.49Å; V96-L100 PolarHBondContact O-N 3.05Å
97V98.1Very high97.5Very high11 Ų1136.1 Ų36.17%0.06723%0.226CC..Hα-helixtrans-60.3-43.9-178.9164.90000111.1L36 L93 A94 E101 L102 G103 P105 F120L36-V97 HydrophobicContact CD2-CG2 4.14Å; L93-V97 WeakPolarHBondContact O-CB 3.48Å; L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.49Å; L93-V97 PolarHBondContact O-N 2.98Å; A94-V97 PolarHBondContact O-N 3.37Å; A94-V97 VanDerWaalsContact O-N 3.16Å; V97-E101 PolarHBondContact O-N 2.65Å; V97-E101 VanDerWaalsContact O-N 3.09Å; V97-L102 HydrophobicContact CG1-CB 4.24Å; V97-L102 HydrophobicContact CG2-CD1 4.33Å; V97-L102 PolarHBondContact O-N 3.14Å; V97-G103 WeakPolarHBondContact CG1-O 3.43Å; V97-P105 HydrophobicContact CG1-CG 4.3Å; V97-P105 HydrophobicContact CG2-CG 3.8Å; V97-F120 HydrophobicContact CG2-CE1 4.13Å; V97-F120 HydrophobicContact CG2-CZ 4.02Å
98D97.3Very high97.6Very high118 Ų11834.5 Ų34.563%0.63121%0.214SC*.Hα-helixtrans-66.5-48178-68.8-18.1000111.5A94 V96 L100 E101A94-D98 VanDerWaalsContact O-CG 3.3Å; A94-D98 PolarHBondContact O-N 3.28Å; V96-D98 VanDerWaalsContact C-N 3.33Å; V96-D98 PolarHBondContact O-N 3.36Å; D98-L100 VanDerWaalsContact C-N 3.27Å; D98-L100 PolarHBondContact O-N 2.91Å; D98-E101 PolarHBondContact O-N 3.02Å
99T97.9Very high97.6Very high63 Ų6334.3 Ų34.339%0.38721%0.213SC..Hα-helixtrans-63.9-32.7-177.9-55.40000112.4I11 A95 V96I11-T99 HydrophobicContact CB-CG2 3.88Å; I11-T99 HydrophobicContact CG2-CG2 4.16Å; A95-T99 VanDerWaalsContact O-CB 3.24Å; A95-T99 WeakPolarHBondContact O-CB 3.3Å; A95-T99 PolarHBondContact O-N 2.72Å; A95-T99 PolarHBondContact O-OG1 3.43Å; V96-T99 PolarHBondContact O-N 2.9Å
100L97.3Very high97.7Very high11 Ų1132.4 Ų32.46%0.05820%0.2CC..THydrogen-bonded Turntrans-89.6-1.9176.4-73.9166.7000113.3I11 F20 R63 V65 I67 V96 D98 L102I11-L100 HydrophobicContact CD1-CD1 3.77Å; I11-L100 HydrophobicContact CD1-CD2 4.09Å; I11-L100 HydrophobicContact CD1-CG 3.67Å; I11-L100 HydrophobicContact CG2-CD2 3.59Å; I11-L100 HydrophobicContact CG2-CG 4.15Å; F20-L100 HydrophobicContact CD1-CD2 4.18Å; F20-L100 HydrophobicContact CD2-CD2 4.18Å; F20-L100 HydrophobicContact CE1-CD2 4.15Å; F20-L100 HydrophobicContact CE2-CD2 4.15Å; F20-L100 HydrophobicContact CG-CD2 4.2Å; F20-L100 HydrophobicContact CZ-CD2 4.14Å; R63-L100 VanDerWaalsContact CZ-O 3.32Å; R63-L100 PolarHBondContact NH1-O 3.47Å; R63-L100 PolarHBondContact NH2-O 3.09Å; V65-L100 HydrophobicContact CG1-CD1 3.86Å; I67-L100 HydrophobicContact CG2-CD1 4.17Å; V96-L100 HydrophobicContact CG1-CD1 3.8Å; V96-L100 WeakPolarHBondContact O-CB 3.49Å; V96-L100 PolarHBondContact O-N 3.05Å; D98-L100 VanDerWaalsContact C-N 3.27Å; D98-L100 PolarHBondContact O-N 2.91Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 HydrophobicContact CB-CD1 4.18Å; L100-L102 HydrophobicContact CB-CD2 3.68Å; L100-L102 HydrophobicContact CB-CG 3.62Å; L100-L102 HydrophobicContact CD1-CD1 4.2Å; L100-L102 PolarHBondContact O-N 3.24Å
101E97.3Very high97.8Very high164 Ų16433.6 Ų33.677%0.76621%0.207SC*.THydrogen-bonded Turntrans51.347.3-177.5-57.4177.7177.500111.9R63 V97 D98 G103R63-E101 PolarHBondContact NH1-O 3.05Å; V97-E101 PolarHBondContact O-N 2.65Å; V97-E101 VanDerWaalsContact O-N 3.09Å; D98-E101 PolarHBondContact O-N 3.02Å; E101-G103 VanDerWaalsContact C-N 3.31Å; E101-G103 PolarHBondContact O-N 2.68Å
102L97.1Very high97.9Very high9 Ų930.8 Ų30.85%0.04719%0.186CC..  trans-77.7-17.8-173.6-58.9-176.6000113.2S34 L36 V65 V97 L100 P105S34-L102 VanDerWaalsContact CB-O 3.32Å; S34-L102 WeakPolarHBondContact CB-O 3.29Å; S34-L102 PolarHBondContact OG-O 2.86Å; L36-L102 HydrophobicContact CB-CD1 4.2Å; L36-L102 HydrophobicContact CD1-CD1 4.21Å; V65-L102 HydrophobicContact CB-CD2 4.45Å; V65-L102 HydrophobicContact CG2-CD2 3.83Å; V97-L102 HydrophobicContact CG1-CB 4.24Å; V97-L102 HydrophobicContact CG2-CD1 4.33Å; V97-L102 PolarHBondContact O-N 3.14Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 HydrophobicContact CB-CD1 4.18Å; L100-L102 HydrophobicContact CB-CD2 3.68Å; L100-L102 HydrophobicContact CB-CG 3.62Å; L100-L102 HydrophobicContact CD1-CD1 4.2Å; L100-L102 PolarHBondContact O-N 3.24Å; L102-P105 HydrophobicContact CB-CB 4.45Å
103G96.6Very high97.9Very high39 Ų3930.6 Ų30.640%0.40219%0.186SC..  trans59-162.9-162.600000111.4V97 E101 P105V97-G103 WeakPolarHBondContact CG1-O 3.43Å; E101-G103 VanDerWaalsContact C-N 3.31Å; E101-G103 PolarHBondContact O-N 2.68Å; G103-P105 WeakPolarHBondContact O-CD 3.34Å
104P97.1Very high97.9Very high58 Ų5830.6 Ų30.638%0.37719%0.186SC..SBendtrans-59.698.9173.1-31.841.3000113.2Q127P104-Q127 WeakPolarHBondContact CA-O 3.45Å; P104-Q127 HydrophobicContact CB-CB 4.4Å; P104-Q127 WeakPolarHBondContact CB-O 3.47Å; P104-Q127 HydrophobicContact CG-CB 4.19Å
105P98.4Very high98Very high1 Ų129.2 Ų29.21%0.00617%0.174CC..  trans-92.1163.8-172.732.1-19.5000111.4S34 L36 V97 L102 G103 V107 L128 R129S34-P105 CarbonylContact O-C 3.54Å; S34-P105 VanDerWaalsContact O-CA 3.29Å; S34-P105 WeakPolarHBondContact O-CA 3.29Å; L36-P105 HydrophobicContact CB-CB 4.45Å; V97-P105 HydrophobicContact CG1-CG 4.3Å; V97-P105 HydrophobicContact CG2-CG 3.8Å; L102-P105 HydrophobicContact CB-CB 4.45Å; G103-P105 WeakPolarHBondContact O-CD 3.34Å; P105-V107 HydrophobicContact CG-CG2 4.35Å; P105-L128 HydrophobicContact CG-CD2 4.11Å; P105-R129 PolarHBondContact O-N 3.31Å
106V98.8Very high98Very high22 Ų2228.6 Ų28.613%0.13317%0.167CC..EExtended strand (participates in β ladder)trans-83.3134.1155.11740000108.1F33 S34 V35 L36 R129 G130 V132F33-V106 HydrophobicContact CD2-CG2 4.13Å; F33-V106 HydrophobicContact CE2-CG2 3.65Å; F33-V106 HydrophobicContact CZ-CG2 4.46Å; S34-V106 PolarHBondContact O-N 3.42Å; V35-V106 CarbonylContact C-O 3.51Å; V35-V106 WeakPolarHBondContact CA-O 3.15Å; V35-V106 HydrophobicContact CG1-CB 4.45Å; V35-V106 HydrophobicContact CG2-CB 4.32Å; L36-V106 PolarHBondContact N-O 3.39Å; V106-R129 HydrophobicContact CG2-CB 4.17Å; V106-R129 HydrophobicContact CG2-CG 4.27Å; V106-G130 VanDerWaalsContact CA-O 3.31Å; V106-G130 WeakPolarHBondContact CA-O 3.48Å; V106-V132 HydrophobicContact CG1-CG2 4.08Å
107V98.9Very high98Very high1 Ų128.6 Ų28.61%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-109.1123.7178176.20000110.5L36 L38 P105 F120 L128 G130 F131 V132L36-V107 HydrophobicContact CB-CG2 4.37Å; L36-V107 HydrophobicContact CD2-CG2 4.42Å; L36-V107 WeakPolarHBondContact O-CA 3.19Å; L38-V107 HydrophobicContact CD1-CG1 4.08Å; L38-V107 HydrophobicContact CG-CG1 4.4Å; P105-V107 HydrophobicContact CG-CG2 4.35Å; V107-F120 HydrophobicContact CG2-CE1 4.34Å; V107-L128 HydrophobicContact CG2-CD1 4.2Å; V107-L128 HydrophobicContact CG2-CD2 3.57Å; V107-G130 PolarHBondContact N-O 3.44Å; V107-F131 HydrophobicContact CB-CD2 4.19Å; V107-F131 HydrophobicContact CG1-CD2 4.38Å; V107-F131 HydrophobicContact CG1-CE2 4.31Å; V107-V132 PolarHBondContact O-N 3.15Å
108I98.9Very high98Very high23 Ų2328 Ų2812%0.11816%0.163CC..EExtended strand (participates in β ladder)trans-100119.4171.5-53-173.2000108.5V35 L36 L37 L38 W48 V132V35-I108 HydrophobicContact CG1-CD1 3.83Å; V35-I108 HydrophobicContact CG1-CG1 3.94Å; L36-I108 PolarHBondContact O-N 3.04Å; L37-I108 HydrophobicContact CD2-CD1 4.19Å; L37-I108 HydrophobicContact CG-CB 4.48Å; L37-I108 HydrophobicContact CG-CD1 4.17Å; L38-I108 PolarHBondContact N-O 3.01Å; W48-I108 HydrophobicContact CH2-CG2 4.13Å; W48-I108 HydrophobicContact CZ2-CG2 4.13Å; I108-V132 WeakPolarHBondContact CA-O 3.44Å; I108-V132 HydrophobicContact CB-CB 4.46Å; I108-V132 HydrophobicContact CG1-CB 4.1Å; I108-V132 HydrophobicContact CG1-CG2 4.35Å; I108-V132 HydrophobicContact CG2-CB 4.43Å
109S98.8Very high98.1Very high0 Ų023.3 Ų23.30%014%0.139CC..EExtended strand (participates in β ladder)trans-132.492.3-170.2-174.10000112.8S113 G114 S117 V132 P133 V134S109-S113 VanDerWaalsContact CA-OG 3.26Å; S109-S113 WeakPolarHBondContact CA-OG 3.49Å; S109-S113 VanDerWaalsContact OG-C 3.27Å; S109-S113 WeakPolarHBondContact OG-CB 3.21Å; S109-S113 PolarHBondContact OG-O 3.3Å; S109-S113 PolarHBondContact OG-OG 3.02Å; S109-G114 PolarHBondContact OG-N 3.13Å; S109-S117 VanDerWaalsContact CB-OG 3.29Å; S109-S117 WeakPolarHBondContact CB-OG 3.49Å; S109-S117 VanDerWaalsContact OG-CB 3.24Å; S109-S117 WeakPolarHBondContact OG-CB 3.26Å; S109-S117 PolarHBondContact OG-OG 2.83Å; S109-V132 PolarHBondContact N-O 2.82Å; S109-P133 WeakPolarHBondContact O-CA 3.37Å; S109-V134 PolarHBondContact O-N 3.32Å
110P98.4Very high98.1Very high20 Ų2021 Ų2113%0.1312%0.124CC..EExtended strand (participates in β ladder)trans-84.3140.1172.732.9-34.7000113.6L38 W48 L112 S113 V134L38-P110 WeakPolarHBondContact O-CD 3.34Å; W48-P110 HydrophobicContact CZ2-CG 4.19Å; P110-L112 PolarHBondContact O-N 2.95Å; P110-S113 WeakPolarHBondContact CD-OG 3.29Å; P110-S113 VanDerWaalsContact N-OG 3.08Å; P110-S113 PolarHBondContact O-N 3.21Å; P110-S113 VanDerWaalsContact O-N 3.14Å; P110-S113 PolarHBondContact O-OG 2.84Å; P110-V134 CarbonylContact C-O 3.55Å; P110-V134 VanDerWaalsContact CA-O 3.25Å; P110-V134 WeakPolarHBondContact CA-O 3.36Å; P110-V134 HydrophobicContact CB-CB 3.94Å; P110-V134 HydrophobicContact CB-CG2 4.49Å
111S97.1Very high98.1Very high39 Ų3921.1 Ų21.127%0.27312%0.124SC..G310 helixtrans48.2-118.3163.5-174.30000114S113 G114 V134 A135 P136 I137S111-S113 PolarHBondContact O-N 3.29Å; S111-G114 PolarHBondContact O-N 2.87Å; S111-V134 PolarHBondContact N-O 3.21Å; S111-A135 WeakPolarHBondContact CA-O 3.4Å; S111-P136 WeakPolarHBondContact O-CA 3.32Å; S111-I137 PolarHBondContact O-N 2.99Å
112L98.3Very high98Very high11 Ų1114.6 Ų14.66%0.05810%0.096CC..G310 helixtrans-44-42.4-179.5178.772.3000112.9I41 L72 I84 P110 G114 M115 I137I41-L112 HydrophobicContact CB-CB 4.21Å; I41-L112 HydrophobicContact CB-CD2 3.78Å; I41-L112 HydrophobicContact CB-CG 4.41Å; I41-L112 HydrophobicContact CG1-CD2 4.04Å; L72-L112 HydrophobicContact CD1-CD2 3.52Å; I84-L112 HydrophobicContact CG1-CD1 4.26Å; I84-L112 HydrophobicContact CG2-CD1 3.95Å; P110-L112 PolarHBondContact O-N 2.95Å; L112-G114 PolarHBondContact O-N 2.73Å; L112-M115 HydrophobicContact CD1-SD 3.75Å; L112-M115 HydrophobicContact CG-SD 4.27Å; L112-M115 VanDerWaalsContact O-CG 3.3Å; L112-M115 WeakPolarHBondContact O-CG 3.49Å; L112-M115 PolarHBondContact O-N 3.05Å; L112-M115 VanDerWaalsContact O-N 3.14Å; L112-I137 HydrophobicContact CD1-CD1 3.96Å
113S98.5Very high97.9Very high0 Ų015.6 Ų15.60%011%0.105CC..G310 helixtrans-61.8-13.5-174.564.40000114.5H39 S109 P110 S111 M115 Y116 S117H39-S113 WeakPolarHBondContact O-CB 3.24Å; S109-S113 VanDerWaalsContact CA-OG 3.26Å; S109-S113 WeakPolarHBondContact CA-OG 3.49Å; S109-S113 VanDerWaalsContact OG-C 3.27Å; S109-S113 WeakPolarHBondContact OG-CB 3.21Å; S109-S113 PolarHBondContact OG-O 3.3Å; S109-S113 PolarHBondContact OG-OG 3.02Å; P110-S113 WeakPolarHBondContact CD-OG 3.29Å; P110-S113 VanDerWaalsContact N-OG 3.08Å; P110-S113 PolarHBondContact O-N 3.21Å; P110-S113 VanDerWaalsContact O-N 3.14Å; P110-S113 PolarHBondContact O-OG 2.84Å; S111-S113 PolarHBondContact O-N 3.29Å; S113-M115 PolarHBondContact O-N 3.27Å; S113-Y116 PolarHBondContact O-N 3.06Å; S113-S117 PolarHBondContact O-N 3.24Å; S113-S117 PolarHBondContact O-OG 3.28Å
114G98.3Very high97.5Very high0 Ų020.2 Ų20.20%013%0.128CC..Hα-helixtrans-51.5-37.2170.500000113.6S109 S111 L112 Y116 S117 L118S109-G114 PolarHBondContact OG-N 3.13Å; S111-G114 PolarHBondContact O-N 2.87Å; L112-G114 PolarHBondContact O-N 2.73Å; G114-Y116 PolarHBondContact O-N 2.89Å; G114-Y116 VanDerWaalsContact O-N 3.16Å; G114-S117 WeakPolarHBondContact CA-OG 3.41Å; G114-S117 PolarHBondContact O-N 2.91Å; G114-L118 WeakPolarHBondContact O-CB 3.5Å; G114-L118 VanDerWaalsContact O-CG 3.3Å; G114-L118 WeakPolarHBondContact O-CG 3.42Å; G114-L118 PolarHBondContact O-N 3.37Å
115M98.4Very high96.9Very high2 Ų221.1 Ų21.11%0.0115%0.148CC..Hα-helixtrans-63-23177.875.5-173.3-73.200113.3A82 P83 E86 A88 L112 S113 P119 I137A82-M115 HydrophobicContact CB-CE 4.26Å; P83-M115 WeakPolarHBondContact O-CE 3.47Å; E86-M115 VanDerWaalsContact O-CE 3.29Å; E86-M115 WeakPolarHBondContact O-CE 3.49Å; A88-M115 WeakPolarHBondContact CB-O 3.3Å; A88-M115 PolarHBondContact N-O 2.65Å; L112-M115 HydrophobicContact CD1-SD 3.75Å; L112-M115 HydrophobicContact CG-SD 4.27Å; L112-M115 VanDerWaalsContact O-CG 3.3Å; L112-M115 WeakPolarHBondContact O-CG 3.49Å; L112-M115 PolarHBondContact O-N 3.05Å; L112-M115 VanDerWaalsContact O-N 3.14Å; S113-M115 PolarHBondContact O-N 3.27Å; M115-P119 WeakPolarHBondContact O-CD 3.35Å; M115-P119 WeakPolarHBondContact O-CG 3.42Å; M115-I137 HydrophobicContact CB-CD1 4.35Å
116Y98.6Very high96.3Very high8 Ų822.5 Ų22.53%0.03116%0.157CC..Hα-helixtrans-97.7-42.8177.3-62.8-90.2000112L69 P81 A88 F92 L93 S113 G114L69-Y116 HydrophobicContact CD1-CD2 4.07Å; L69-Y116 HydrophobicContact CD1-CE2 4.03Å; L69-Y116 HydrophobicContact CD2-CD1 4.44Å; L69-Y116 HydrophobicContact CD2-CD2 3.99Å; L69-Y116 HydrophobicContact CD2-CE2 4.11Å; L69-Y116 HydrophobicContact CD2-CG 4.17Å; P81-Y116 HydrophobicContact CG-CD1 4.47Å; P81-Y116 HydrophobicContact CG-CE1 3.75Å; A88-Y116 HydrophobicContact CB-CD1 3.69Å; A88-Y116 HydrophobicContact CB-CE1 3.96Å; A88-Y116 HydrophobicContact CB-CG 4.27Å; F92-Y116 AromaticContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CD1 3.52Å; F92-Y116 AromaticContact CD1-CE1 3.98Å; F92-Y116 HydrophobicContact CD1-CE1 3.98Å; F92-Y116 AromaticContact CE1-CD1 3.72Å; F92-Y116 HydrophobicContact CE1-CD1 3.72Å; F92-Y116 AromaticContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CG-CD1 4.32Å; F92-Y116 HydrophobicContact CZ-CE1 4.45Å; L93-Y116 WeakPolarHBondContact CD1-O 3.34Å; S113-Y116 PolarHBondContact O-N 3.06Å; G114-Y116 PolarHBondContact O-N 2.89Å; G114-Y116 VanDerWaalsContact O-N 3.16Å
117S98.5Very high95.6Very high0 Ų028.2 Ų28.20%018%0.183CC..Hα-helixtrans-77-35.7-171.466.50000113.5S109 S113 G114 F120 L121S109-S117 VanDerWaalsContact CB-OG 3.29Å; S109-S117 WeakPolarHBondContact CB-OG 3.49Å; S109-S117 VanDerWaalsContact OG-CB 3.24Å; S109-S117 WeakPolarHBondContact OG-CB 3.26Å; S109-S117 PolarHBondContact OG-OG 2.83Å; S113-S117 PolarHBondContact O-N 3.24Å; S113-S117 PolarHBondContact O-OG 3.28Å; G114-S117 WeakPolarHBondContact CA-OG 3.41Å; G114-S117 PolarHBondContact O-N 2.91Å; S117-F120 PolarHBondContact O-N 3.26Å; S117-L121 WeakPolarHBondContact O-CB 3.28Å; S117-L121 PolarHBondContact O-N 3.4Å
118L98.3Very high95.4Very high0 Ų028.8 Ų28.80%019%0.186CC..Hα-helixtrans-68.6-46-177.8-63168.3000112G114 F120 L121 V122 F131 I137 C138 T139 I142 Y147 L172G114-L118 WeakPolarHBondContact O-CB 3.5Å; G114-L118 VanDerWaalsContact O-CG 3.3Å; G114-L118 WeakPolarHBondContact O-CG 3.42Å; G114-L118 PolarHBondContact O-N 3.37Å; L118-F120 PolarHBondContact O-N 3.13Å; L118-L121 HydrophobicContact CD2-CD2 4.49Å; L118-L121 WeakPolarHBondContact O-CB 3.46Å; L118-L121 PolarHBondContact O-N 2.99Å; L118-L121 VanDerWaalsContact O-N 3.16Å; L118-V122 WeakPolarHBondContact O-CG2 3.29Å; L118-V122 PolarHBondContact O-N 3.27Å; L118-V122 VanDerWaalsContact O-N 3.14Å; L118-F131 HydrophobicContact CD2-CE1 4.1Å; L118-F131 HydrophobicContact CD2-CZ 4.1Å; L118-I137 WeakPolarHBondContact CD1-O 3.44Å; L118-C138 HydrophobicContact CD1-CB 4.38Å; L118-T139 HydrophobicContact CD1-CG2 3.83Å; L118-I142 HydrophobicContact CB-CD1 4.04Å; L118-I142 HydrophobicContact CB-CG1 3.84Å; L118-I142 HydrophobicContact CD1-CG1 4.4Å; L118-Y147 HydrophobicContact CD2-CE1 4.31Å; L118-L172 HydrophobicContact CD2-CD2 3.95Å
119P97.8Very high95.4Very high18 Ų1834.1 Ų34.112%0.11720%0.204CC..Hα-helixtrans-61.5-32.5173.2-28.340.9000113.3P87 A88 M115 A123P87-P119 HydrophobicContact CB-CG 3.57Å; A88-P119 WeakPolarHBondContact O-CB 3.43Å; A88-P119 VanDerWaalsContact O-CG 3.23Å; A88-P119 WeakPolarHBondContact O-CG 3.42Å; M115-P119 WeakPolarHBondContact O-CD 3.35Å; M115-P119 WeakPolarHBondContact O-CG 3.42Å; P119-A123 WeakPolarHBondContact O-CB 3.28Å; P119-A123 PolarHBondContact O-N 3.38Å; P119-A123 VanDerWaalsContact O-N 3.15Å
120F97.9Very high95.4Very high15 Ų1534.5 Ų34.57%0.06621%0.208CC..Hα-helixtrans-72.6-37.2175.1179.3-133.4000112.5L93 A94 V97 V107 S117 L118 V122 A123 S126 L128L93-F120 HydrophobicContact CB-CB 3.91Å; L93-F120 HydrophobicContact CB-CD1 3.58Å; L93-F120 HydrophobicContact CB-CD2 4.2Å; L93-F120 HydrophobicContact CB-CE1 4.06Å; L93-F120 HydrophobicContact CB-CG 3.64Å; L93-F120 HydrophobicContact CD1-CB 4.01Å; L93-F120 HydrophobicContact CD1-CD1 3.91Å; L93-F120 HydrophobicContact CD1-CG 4.28Å; L93-F120 HydrophobicContact CG-CB 4.46Å; L93-F120 HydrophobicContact CG-CD1 4.43Å; A94-F120 HydrophobicContact CB-CD2 4.26Å; A94-F120 HydrophobicContact CB-CE2 3.85Å; V97-F120 HydrophobicContact CG2-CE1 4.13Å; V97-F120 HydrophobicContact CG2-CZ 4.02Å; V107-F120 HydrophobicContact CG2-CE1 4.34Å; S117-F120 PolarHBondContact O-N 3.26Å; L118-F120 PolarHBondContact O-N 3.13Å; F120-V122 PolarHBondContact O-N 2.98Å; F120-A123 PolarHBondContact O-N 3.44Å; F120-S126 WeakPolarHBondContact O-CB 3.48Å; F120-S126 PolarHBondContact O-OG 3.16Å; F120-L128 HydrophobicContact CD1-CD1 4.39Å; F120-L128 HydrophobicContact CD1-CD2 4.1Å; F120-L128 HydrophobicContact CE1-CD1 4.5Å; F120-L128 HydrophobicContact CE1-CD2 3.41Å; F120-L128 VanDerWaalsContact CE1-CD2 3.41Å; F120-L128 HydrophobicContact CE1-CG 4.25Å; F120-L128 HydrophobicContact CZ-CD2 3.94Å
121L97.7Very high95.4Very high14 Ų1433.8 Ų33.87%0.07320%0.203CC..Hα-helixtrans-61.5-42.9177.1176.268.5000111.7S117 L118 L128 F131 V150 T152S117-L121 WeakPolarHBondContact O-CB 3.28Å; S117-L121 PolarHBondContact O-N 3.4Å; L118-L121 HydrophobicContact CD2-CD2 4.49Å; L118-L121 WeakPolarHBondContact O-CB 3.46Å; L118-L121 PolarHBondContact O-N 2.99Å; L118-L121 VanDerWaalsContact O-N 3.16Å; L121-L128 HydrophobicContact CB-CD1 4.33Å; L121-L128 HydrophobicContact CD1-CD1 3.72Å; L121-F131 HydrophobicContact CD1-CB 4.23Å; L121-F131 HydrophobicContact CD1-CD1 4.42Å; L121-F131 HydrophobicContact CD1-CG 4.23Å; L121-F131 HydrophobicContact CD2-CD1 3.69Å; L121-F131 HydrophobicContact CD2-CE1 3.78Å; L121-F131 HydrophobicContact CD2-CG 4.27Å; L121-F131 HydrophobicContact CD2-CZ 4.43Å; L121-V150 HydrophobicContact CD1-CG1 3.71Å; L121-V150 HydrophobicContact CD2-CG1 4.38Å; L121-V150 HydrophobicContact CD2-CG2 4.39Å; L121-V150 HydrophobicContact CG-CG1 4.03Å; L121-V150 HydrophobicContact CG-CG2 3.98Å; L121-T152 HydrophobicContact CD1-CG2 4.32Å
122V96.8Very high95.4Very high27 Ų2733.3 Ų33.316%0.16420%0.198CC..SBendtrans-93-0.1-177.3-540000113.7L118 F120 I142 D146 V150L118-V122 WeakPolarHBondContact O-CG2 3.29Å; L118-V122 PolarHBondContact O-N 3.27Å; L118-V122 VanDerWaalsContact O-N 3.14Å; F120-V122 PolarHBondContact O-N 2.98Å; V122-I142 HydrophobicContact CG1-CG2 3.82Å; V122-I142 HydrophobicContact CG2-CD1 4.32Å; V122-D146 HydrophobicContact CB-CB 4.1Å; V122-D146 HydrophobicContact CG1-CB 4.08Å; V122-D146 HydrophobicContact CG2-CB 4.47Å; V122-V150 HydrophobicContact CG1-CG2 3.88Å
123A94.4Very high95.5Very high30 Ų3032.8 Ų32.825%0.24820%0.196CC..SBendtrans-61.5138.9178.900000110.9P119 F120 G125 S126P119-A123 WeakPolarHBondContact O-CB 3.28Å; P119-A123 PolarHBondContact O-N 3.38Å; P119-A123 VanDerWaalsContact O-N 3.15Å; F120-A123 PolarHBondContact O-N 3.44Å; A123-G125 PolarHBondContact O-N 3.24Å; A123-S126 WeakPolarHBondContact O-CB 3.29Å; A123-S126 PolarHBondContact O-N 3.07Å
124P88.3Confident95.4Very high136 Ų13635.1 Ų35.188%0.88321%0.209SC*.THydrogen-bonded Turntrans-54.4128.2174.7-26.334.5000111.6S126P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 3.5Å
125G83.1Confident95.4Very high76 Ų7635.3 Ų35.378%0.78421%0.211SC*.THydrogen-bonded Turntrans74.89.6-179.300000114.9A123 Q127A123-G125 PolarHBondContact O-N 3.24Å; G125-Q127 WeakPolarHBondContact O-CG 3.19Å; G125-Q127 PolarHBondContact O-N 3.14Å
126S87.6Confident95.3Very high30 Ų3035.4 Ų35.421%0.2121%0.212CC..  trans-60122.8173-1710000111F120 A123 P124F120-S126 WeakPolarHBondContact O-CB 3.48Å; F120-S126 PolarHBondContact O-OG 3.16Å; A123-S126 WeakPolarHBondContact O-CB 3.29Å; A123-S126 PolarHBondContact O-N 3.07Å; P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 3.5Å
127Q82.8Confident95.2Very high142 Ų14236.9 Ų36.966%0.66422%0.22SC*.  trans-11164.6-179.2-65.1-169.3-28.200110.1P104 G125P104-Q127 WeakPolarHBondContact CA-O 3.45Å; P104-Q127 HydrophobicContact CB-CB 4.4Å; P104-Q127 WeakPolarHBondContact CB-O 3.47Å; P104-Q127 HydrophobicContact CG-CB 4.19Å; G125-Q127 WeakPolarHBondContact O-CG 3.19Å; G125-Q127 PolarHBondContact O-N 3.14Å
128L96.1Very high95.1Very high14 Ų1437.3 Ų37.37%0.07322%0.223CC..  trans-77136.6169.5-66.6-173.1000110.4P105 V107 F120 L121 T152P105-L128 HydrophobicContact CG-CD2 4.11Å; V107-L128 HydrophobicContact CG2-CD1 4.2Å; V107-L128 HydrophobicContact CG2-CD2 3.57Å; F120-L128 HydrophobicContact CD1-CD1 4.39Å; F120-L128 HydrophobicContact CD1-CD2 4.1Å; F120-L128 HydrophobicContact CE1-CD1 4.5Å; F120-L128 HydrophobicContact CE1-CD2 3.41Å; F120-L128 VanDerWaalsContact CE1-CD2 3.41Å; F120-L128 HydrophobicContact CE1-CG 4.25Å; F120-L128 HydrophobicContact CZ-CD2 3.94Å; L121-L128 HydrophobicContact CB-CD1 4.33Å; L121-L128 HydrophobicContact CD1-CD1 3.72Å; L128-T152 HydrophobicContact CB-CG2 3.64Å
129R97.4Very high95Very high135 Ų13537.8 Ų37.851%0.50923%0.226SC..SBendtrans-79.6-25.4173.8-178.4170-74.4-114.5-1.1112.1F33 P105 V106F33-R129 VanDerWaalsContact CD1-CD 3.45Å; F33-R129 VanDerWaalsContact CG-CD 3.44Å; P105-R129 PolarHBondContact O-N 3.31Å; V106-R129 HydrophobicContact CG2-CB 4.17Å; V106-R129 HydrophobicContact CG2-CG 4.27Å
130G98.3Very high94.9Very high7 Ų741.2 Ų41.27%0.07224%0.243CC..EExtended strand (participates in β ladder)trans-173.2158.7177.700000111.5V106 V107 P153V106-G130 VanDerWaalsContact CA-O 3.31Å; V106-G130 WeakPolarHBondContact CA-O 3.48Å; V107-G130 PolarHBondContact N-O 3.44Å; G130-P153 CarbonylContact C-O 3.6Å; G130-P153 VanDerWaalsContact CA-O 3.26Å; G130-P153 WeakPolarHBondContact CA-O 3.4Å
131F98.6Very high94.8Very high6 Ų646 Ų463%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-130.2127.4179.7-173.1-127.5000110.9V107 L118 L121 P133 T152 P153 A154 L155 L172V107-F131 HydrophobicContact CB-CD2 4.19Å; V107-F131 HydrophobicContact CG1-CD2 4.38Å; V107-F131 HydrophobicContact CG1-CE2 4.31Å; L118-F131 HydrophobicContact CD2-CE1 4.1Å; L118-F131 HydrophobicContact CD2-CZ 4.1Å; L121-F131 HydrophobicContact CD1-CB 4.23Å; L121-F131 HydrophobicContact CD1-CD1 4.42Å; L121-F131 HydrophobicContact CD1-CG 4.23Å; L121-F131 HydrophobicContact CD2-CD1 3.69Å; L121-F131 HydrophobicContact CD2-CE1 3.78Å; L121-F131 HydrophobicContact CD2-CG 4.27Å; L121-F131 HydrophobicContact CD2-CZ 4.43Å; F131-P133 VanDerWaalsContact C-CD 3.48Å; F131-P133 HydrophobicContact CD1-CB 4.27Å; F131-P133 HydrophobicContact CD1-CG 3.83Å; F131-P133 HydrophobicContact CE1-CB 3.61Å; F131-P133 HydrophobicContact CE1-CG 3.63Å; F131-P133 HydrophobicContact CZ-CB 3.88Å; F131-P133 HydrophobicContact CZ-CG 4.35Å; F131-P133 WeakPolarHBondContact O-CD 3.3Å; F131-T152 HydrophobicContact CB-CG2 4.16Å; F131-P153 PolarHBondContact N-O 3.06Å; F131-A154 CarbonylContact O-C 3.54Å; F131-A154 WeakPolarHBondContact O-CA 3.5Å; F131-L155 PolarHBondContact O-N 2.9Å; F131-L172 HydrophobicContact CE1-CD2 4.42Å
132V98.8Very high94.7Very high28 Ų2846.2 Ų46.217%0.1727%0.265CS..EExtended strand (participates in β ladder)trans-121.580.7178.9-170.70000108.6V106 V107 I108 S109 L155 V157V106-V132 HydrophobicContact CG1-CG2 4.08Å; V107-V132 PolarHBondContact O-N 3.15Å; I108-V132 WeakPolarHBondContact CA-O 3.44Å; I108-V132 HydrophobicContact CB-CB 4.46Å; I108-V132 HydrophobicContact CG1-CB 4.1Å; I108-V132 HydrophobicContact CG1-CG2 4.35Å; I108-V132 HydrophobicContact CG2-CB 4.43Å; S109-V132 PolarHBondContact N-O 2.82Å; V132-L155 WeakPolarHBondContact CA-O 3.42Å; V132-L155 HydrophobicContact CG1-CB 4.45Å; V132-L155 HydrophobicContact CG1-CD2 4.46Å; V132-L155 HydrophobicContact CG2-CB 4.37Å; V132-V157 HydrophobicContact CG1-CG2 4.17Å
133P98.4Very high94.5Very high1 Ų148.7 Ų48.71%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-72.4137.1173.826.9-29.8000110.5S109 F131 P136 L155 I156 V157 L172S109-P133 WeakPolarHBondContact O-CA 3.37Å; F131-P133 VanDerWaalsContact C-CD 3.48Å; F131-P133 HydrophobicContact CD1-CB 4.27Å; F131-P133 HydrophobicContact CD1-CG 3.83Å; F131-P133 HydrophobicContact CE1-CB 3.61Å; F131-P133 HydrophobicContact CE1-CG 3.63Å; F131-P133 HydrophobicContact CZ-CB 3.88Å; F131-P133 HydrophobicContact CZ-CG 4.35Å; F131-P133 WeakPolarHBondContact O-CD 3.3Å; P133-P136 HydrophobicContact CB-CG 3.69Å; P133-L155 WeakPolarHBondContact CD-O 3.42Å; P133-I156 HydrophobicContact CG-CB 4.41Å; P133-I156 HydrophobicContact CG-CG1 4.07Å; P133-I156 HydrophobicContact CG-CG2 4.4Å; P133-V157 PolarHBondContact O-N 2.84Å; P133-L172 HydrophobicContact CB-CD1 3.75Å; P133-L172 HydrophobicContact CG-CD1 3.74Å
134V98.2Very high94.4Very high48 Ų4849.7 Ų49.729%0.29129%0.286SS..EExtended strand (participates in β ladder)trans-121.390.4173.1-166.90000109.9S109 P110 S111 P136 V157S109-V134 PolarHBondContact O-N 3.32Å; P110-V134 CarbonylContact C-O 3.55Å; P110-V134 VanDerWaalsContact CA-O 3.25Å; P110-V134 WeakPolarHBondContact CA-O 3.36Å; P110-V134 HydrophobicContact CB-CB 3.94Å; P110-V134 HydrophobicContact CB-CG2 4.49Å; S111-V134 PolarHBondContact N-O 3.21Å; V134-P136 VanDerWaalsContact C-CD 3.47Å; V134-V157 VanDerWaalsContact CA-O 3.26Å; V134-V157 WeakPolarHBondContact CA-O 3.06Å; V134-V157 HydrophobicContact CG1-CB 4.43Å; V134-V157 HydrophobicContact CG1-CG1 4.36Å; V134-V157 HydrophobicContact CG2-CB 4.23Å
135A96.9Very high94.6Very high5 Ų548.7 Ų48.74%0.04128%0.277CS..SBendtrans41.455.4-172.600000114S111 V157 D162S111-A135 WeakPolarHBondContact CA-O 3.4Å; A135-V157 PolarHBondContact N-O 3.48Å; A135-D162 WeakPolarHBondContact CB-OD2 3.16Å
136P97.1Very high95.1Very high4 Ų447.9 Ų47.93%0.02626%0.255CS..  trans-66.4152.2-179.328.1-36.7000112.7S111 P133 V134 T139 S168 L172S111-P136 WeakPolarHBondContact O-CA 3.32Å; P133-P136 HydrophobicContact CB-CG 3.69Å; V134-P136 VanDerWaalsContact C-CD 3.47Å; P136-T139 HydrophobicContact CB-CG2 4.4Å; P136-T139 HydrophobicContact CG-CG2 3.75Å; P136-S168 WeakPolarHBondContact CD-OG 3.47Å; P136-S168 PolarHBondContact O-OG 3.28Å; P136-S168 VanDerWaalsContact O-OG 3.05Å; P136-L172 HydrophobicContact CG-CD1 3.86Å
137I96.9Very high95.4Very high39 Ų3946.9 Ų46.920%0.225%0.246CC..SBendtrans-80.3172.1166.168.2167.8000111.1S111 L112 M115 L118 T139S111-I137 PolarHBondContact O-N 2.99Å; L112-I137 HydrophobicContact CD1-CD1 3.96Å; M115-I137 HydrophobicContact CB-CD1 4.35Å; L118-I137 WeakPolarHBondContact CD1-O 3.44Å; I137-T139 PolarHBondContact O-N 3.06Å
138C96.8Very high95.8Very high9 Ų942.8 Ų42.86%0.06124%0.236CC..  trans63.215.2178-56.90000115G85 L118 D140 K141G85-C138 VanDerWaalsContact C-SG 3.58Å; G85-C138 PolarHBondContact O-SG 3.24Å; G85-C138 VanDerWaalsContact O-SG 3.32Å; L118-C138 HydrophobicContact CD1-CB 4.38Å; C138-D140 PolarHBondContact O-N 2.94Å; C138-K141 HydrophobicContact CB-CB 4.37Å; C138-K141 HydrophobicContact CB-CG 4.03Å; C138-K141 WeakPolarHBondContact O-CB 3.38Å; C138-K141 PolarHBondContact O-N 3.14Å; C138-K141 VanDerWaalsContact O-N 3.07Å
139T96.1Very high95.6Very high9 Ų945.4 Ų45.46%0.05526%0.256CS..G310 helixtrans-66.5-27.117653.40000113L118 P136 I137 K141 Y147 S168 H171 L172L118-T139 HydrophobicContact CD1-CG2 3.83Å; P136-T139 HydrophobicContact CB-CG2 4.4Å; P136-T139 HydrophobicContact CG-CG2 3.75Å; I137-T139 PolarHBondContact O-N 3.06Å; T139-K141 PolarHBondContact O-N 3.43Å; T139-Y147 WeakPolarHBondContact CA-OH 3.48Å; T139-Y147 PolarHBondContact O-OH 3.16Å; T139-S168 WeakPolarHBondContact CG2-OG 3.3Å; T139-H171 PolarHBondContact OG1-ND1 2.95Å; T139-L172 HydrophobicContact CG2-CD1 4.22Å; T139-L172 HydrophobicContact CG2-CD2 4.13Å; T139-L172 HydrophobicContact CG2-CG 3.99Å
140D94.4Very high95.4Very high91 Ų9140.7 Ų40.749%0.48724%0.242SC..G310 helixtrans-74.2-12.317365.5-57.1000113.3C138C138-D140 PolarHBondContact O-N 2.94Å
141K96.1Very high95.2Very high114 Ų11448.5 Ų48.550%0.49627%0.274SS..G310 helixtrans-89.2-11.9-178.1-55.6-55.8-178.3-144.30113.5P87 C138 T139P87-K141 HydrophobicContact CG-CB 3.67Å; P87-K141 HydrophobicContact CG-CG 4.09Å; C138-K141 HydrophobicContact CB-CB 4.37Å; C138-K141 HydrophobicContact CB-CG 4.03Å; C138-K141 WeakPolarHBondContact O-CB 3.38Å; C138-K141 PolarHBondContact O-N 3.14Å; C138-K141 VanDerWaalsContact O-N 3.07Å; T139-K141 PolarHBondContact O-N 3.43Å
142I95.2Very high95.1Very high19 Ų1949.5 Ų49.510%0.09728%0.28CS..SBendtrans-97.3128.8175.6-52.5-55.4000107.8L118 V122 D146 Y147L118-I142 HydrophobicContact CB-CD1 4.04Å; L118-I142 HydrophobicContact CB-CG1 3.84Å; L118-I142 HydrophobicContact CD1-CG1 4.4Å; V122-I142 HydrophobicContact CG1-CG2 3.82Å; V122-I142 HydrophobicContact CG2-CD1 4.32Å; I142-D146 HydrophobicContact CG2-CB 3.85Å; I142-Y147 HydrophobicContact CB-CD2 4.06Å; I142-Y147 HydrophobicContact CB-CE1 4.22Å; I142-Y147 HydrophobicContact CB-CE2 3.48Å; I142-Y147 VanDerWaalsContact CB-CE2 3.48Å; I142-Y147 HydrophobicContact CG1-CE2 4.43Å; I142-Y147 HydrophobicContact CG2-CD1 4.05Å; I142-Y147 HydrophobicContact CG2-CD2 3.74Å; I142-Y147 HydrophobicContact CG2-CE1 3.94Å; I142-Y147 HydrophobicContact CG2-CE2 3.66Å; I142-Y147 HydrophobicContact CG2-CG 3.95Å
143N92.9Very high95Very high80 Ų8052.6 Ų52.643%0.42830%0.301SS..  trans-77.4160.4179.968.262000111.1V145 D146 Y147N143-V145 PolarHBondContact O-N 3.2Å; N143-V145 WeakPolarHBondContact OD1-CA 3.47Å; N143-V145 WeakPolarHBondContact OD1-CB 3.24Å; N143-V145 PolarHBondContact OD1-N 3.37Å; N143-D146 PolarHBondContact ND2-OD2 2.97Å; N143-D146 PolarHBondContact O-N 2.98Å; N143-D146 PolarHBondContact OD1-N 3.26Å; N143-D146 PolarHBondContact OD1-OD2 3.42Å; N143-Y147 PolarHBondContact O-N 3.36Å; N143-Y147 VanDerWaalsContact O-N 3.13Å
144A92Very high94.9Very high51 Ų5155.6 Ų55.642%0.42133%0.326SS..Hα-helixtrans-62.4-29.7-177.900000113.6A148A144-A148 VanDerWaalsContact O-CB 3.29Å; A144-A148 WeakPolarHBondContact O-CB 3.28Å; A144-A148 PolarHBondContact O-N 3.27Å
145V92.8Very high95Very high114 Ų11458.6 Ų58.669%0.69134%0.34SS*.Hα-helixtrans-68.4-44.1179.2178.30000110.2N143 A148 S149N143-V145 PolarHBondContact O-N 3.2Å; N143-V145 WeakPolarHBondContact OD1-CA 3.47Å; N143-V145 WeakPolarHBondContact OD1-CB 3.24Å; N143-V145 PolarHBondContact OD1-N 3.37Å; V145-A148 PolarHBondContact O-N 2.92Å; V145-S149 PolarHBondContact O-N 2.96Å
146D93.9Very high95Very high60 Ų6060.4 Ų60.432%0.32135%0.349SS..Hα-helixtrans-63.7-44.8176.5-69-21.4000110.4V122 I142 N143 S149 V150V122-D146 HydrophobicContact CB-CB 4.1Å; V122-D146 HydrophobicContact CG1-CB 4.08Å; V122-D146 HydrophobicContact CG2-CB 4.47Å; I142-D146 HydrophobicContact CG2-CB 3.85Å; N143-D146 PolarHBondContact ND2-OD2 2.97Å; N143-D146 PolarHBondContact O-N 2.98Å; N143-D146 PolarHBondContact OD1-N 3.26Å; N143-D146 PolarHBondContact OD1-OD2 3.42Å; D146-S149 WeakPolarHBondContact O-CB 3.49Å; D146-S149 PolarHBondContact O-N 3.06Å; D146-S149 PolarHBondContact O-OG 2.65Å; D146-V150 PolarHBondContact O-N 2.93Å
147Y93.6Very high95Very high9 Ų963.1 Ų63.14%0.03537%0.365CS..Hα-helixtrans-59.5-48173.8-81.9-52.9000112.7L118 T139 I142 N143 S149 V150 L172L118-Y147 HydrophobicContact CD2-CE1 4.31Å; T139-Y147 WeakPolarHBondContact CA-OH 3.48Å; T139-Y147 PolarHBondContact O-OH 3.16Å; I142-Y147 HydrophobicContact CB-CD2 4.06Å; I142-Y147 HydrophobicContact CB-CE1 4.22Å; I142-Y147 HydrophobicContact CB-CE2 3.48Å; I142-Y147 VanDerWaalsContact CB-CE2 3.48Å; I142-Y147 HydrophobicContact CG1-CE2 4.43Å; I142-Y147 HydrophobicContact CG2-CD1 4.05Å; I142-Y147 HydrophobicContact CG2-CD2 3.74Å; I142-Y147 HydrophobicContact CG2-CE1 3.94Å; I142-Y147 HydrophobicContact CG2-CE2 3.66Å; I142-Y147 HydrophobicContact CG2-CG 3.95Å; N143-Y147 PolarHBondContact O-N 3.36Å; N143-Y147 VanDerWaalsContact O-N 3.13Å; Y147-S149 PolarHBondContact O-N 3.16Å; Y147-S149 VanDerWaalsContact O-N 3.15Å; Y147-V150 WeakPolarHBondContact O-CB 3.28Å; Y147-V150 PolarHBondContact O-N 2.72Å; Y147-L172 HydrophobicContact CE1-CD2 3.92Å
148A91.3Very high95Very high55 Ų5565.9 Ų65.946%0.45537%0.374SS..Hα-helixtrans-62.9-24.118000000113.4A144 V145 V150 K151A144-A148 VanDerWaalsContact O-CB 3.29Å; A144-A148 WeakPolarHBondContact O-CB 3.28Å; A144-A148 PolarHBondContact O-N 3.27Å; V145-A148 PolarHBondContact O-N 2.92Å; A148-V150 VanDerWaalsContact C-N 3.33Å; A148-K151 PolarHBondContact O-NZ 2.89Å
149S91.7Very high95Very high69 Ų6967.3 Ų67.348%0.48339%0.39SS..Hα-helixtrans-73.2-24.9175.783.40000112.9V145 D146 Y147 K151V145-S149 PolarHBondContact O-N 2.96Å; D146-S149 WeakPolarHBondContact O-CB 3.49Å; D146-S149 PolarHBondContact O-N 3.06Å; D146-S149 PolarHBondContact O-OG 2.65Å; Y147-S149 PolarHBondContact O-N 3.16Å; Y147-S149 VanDerWaalsContact O-N 3.15Å; S149-K151 PolarHBondContact O-N 3.26Å
150V94Very high94.9Very high36 Ų3673.3 Ų73.322%0.21842%0.422CS..  trans-69.1125.6-178.51780000110.3L121 V122 D146 Y147 A148L121-V150 HydrophobicContact CD1-CG1 3.71Å; L121-V150 HydrophobicContact CD2-CG1 4.38Å; L121-V150 HydrophobicContact CD2-CG2 4.39Å; L121-V150 HydrophobicContact CG-CG1 4.03Å; L121-V150 HydrophobicContact CG-CG2 3.98Å; V122-V150 HydrophobicContact CG1-CG2 3.88Å; D146-V150 PolarHBondContact O-N 2.93Å; Y147-V150 WeakPolarHBondContact O-CB 3.28Å; Y147-V150 PolarHBondContact O-N 2.72Å; A148-V150 VanDerWaalsContact C-N 3.33Å
151K93.6Very high94.9Very high172 Ų17276.7 Ų76.775%0.74844%0.435SS*.  trans-108.1-2174.4-54.5-55.1172.6-153.20113.4A148 S149A148-K151 PolarHBondContact O-NZ 2.89Å; S149-K151 PolarHBondContact O-N 3.26Å
152T96.2Very high94.8Very high26 Ų2673.6 Ų73.616%0.1642%0.424CS..SBendtrans-62.1125.4178-57.10000110.3L121 L128 F131 A154L121-T152 HydrophobicContact CD1-CG2 4.32Å; L128-T152 HydrophobicContact CB-CG2 3.64Å; F131-T152 HydrophobicContact CB-CG2 4.16Å; T152-A154 PolarHBondContact O-N 3.39Å
153P97.1Very high94.4Very high93 Ų9378.5 Ų78.560%0.60446%0.456SS*.  trans-58.5134.1173.7-24.434.2000111.6G130 F131G130-P153 CarbonylContact C-O 3.6Å; G130-P153 VanDerWaalsContact CA-O 3.26Å; G130-P153 WeakPolarHBondContact CA-O 3.4Å; F131-P153 PolarHBondContact N-O 3.06Å
154A97.3Very high94.1Very high65 Ų6578.8 Ų78.854%0.53746%0.456SS..BIsolated β-bridgetrans-121.1140.8-178.200000112.9F131 T152F131-A154 CarbonylContact O-C 3.54Å; F131-A154 WeakPolarHBondContact O-CA 3.5Å; T152-A154 PolarHBondContact O-N 3.39Å
155L98.3Very high93.7Very high110 Ų11076.3 Ų76.358%0.57644%0.436SS*.  trans-116.197.9166.417563.4000108.1F131 V132 P133 V157F131-L155 PolarHBondContact O-N 2.9Å; V132-L155 WeakPolarHBondContact CA-O 3.42Å; V132-L155 HydrophobicContact CG1-CB 4.45Å; V132-L155 HydrophobicContact CG1-CD2 4.46Å; V132-L155 HydrophobicContact CG2-CB 4.37Å; P133-L155 WeakPolarHBondContact CD-O 3.42Å; L155-V157 HydrophobicContact CD2-CG2 4.32Å; L155-V157 HydrophobicContact CG-CG2 3.93Å; L155-V157 PolarHBondContact O-N 2.86Å
156I97.9Very high93.4Very high44 Ų4474.3 Ų74.323%0.22643%0.427CS..  trans-80.7119.9-179.4-53165.7000109P133 F169 L172 K173P133-I156 HydrophobicContact CG-CB 4.41Å; P133-I156 HydrophobicContact CG-CG1 4.07Å; P133-I156 HydrophobicContact CG-CG2 4.4Å; I156-F169 HydrophobicContact CB-CD2 4.23Å; I156-F169 HydrophobicContact CD1-CD2 4.18Å; I156-F169 HydrophobicContact CD1-CE2 4.32Å; I156-F169 HydrophobicContact CG2-CB 4.5Å; I156-F169 HydrophobicContact CG2-CD2 3.79Å; I156-L172 HydrophobicContact CD1-CB 3.69Å; I156-L172 HydrophobicContact CG1-CB 4.23Å; I156-L172 HydrophobicContact CG2-CD1 4.12Å; I156-K173 HydrophobicContact CD1-CB 4.49Å
157V97.6Very high93.2Very high61 Ų6174.3 Ų74.337%0.3743%0.432SS..BIsolated β-bridgetrans-118.4138.5-178.9-175.50000109.4V132 P133 V134 A135 L155V132-V157 HydrophobicContact CG1-CG2 4.17Å; P133-V157 PolarHBondContact O-N 2.84Å; V134-V157 VanDerWaalsContact CA-O 3.26Å; V134-V157 WeakPolarHBondContact CA-O 3.06Å; V134-V157 HydrophobicContact CG1-CB 4.43Å; V134-V157 HydrophobicContact CG1-CG1 4.36Å; V134-V157 HydrophobicContact CG2-CB 4.23Å; A135-V157 PolarHBondContact N-O 3.48Å; L155-V157 HydrophobicContact CD2-CG2 4.32Å; L155-V157 HydrophobicContact CG-CG2 3.93Å; L155-V157 PolarHBondContact O-N 2.86Å
158Y96.5Very high92.9Very high96 Ų9674 Ų7438%0.37643%0.431SS..  trans-158159.7169.363.8-82.3000109.9F169Y158-F169 HydrophobicContact CD1-CB 4.14Å; Y158-F169 HydrophobicContact CD1-CD2 4.44Å; Y158-F169 HydrophobicContact CE1-CB 3.83Å; Y158-F169 AromaticContact CE1-CD2 3.81Å; Y158-F169 HydrophobicContact CE1-CD2 3.81Å; Y158-F169 AromaticContact CE1-CG 3.85Å; Y158-F169 HydrophobicContact CE1-CG 3.85Å
159G95.8Very high92.9Very high39 Ų3974.3 Ų74.340%0.40242%0.422SS..  trans-85.2139.2171.100000110.5Q161 D162G159-Q161 PolarHBondContact O-N 2.73Å; G159-D162 WeakPolarHBondContact O-CB 3.17Å; G159-D162 PolarHBondContact O-N 3.32Å
160D94.3Very high92.8Very high136 Ų13675.1 Ų75.173%0.72742%0.418SS*.THydrogen-bonded Turntrans-61.3-25.7176.765.7-33.4000113.2
161Q95.3Very high92.5Very high162 Ų16276.3 Ų76.376%0.75742%0.421SS*.THydrogen-bonded Turntrans-890.7174.8-53-53.1-49.100114G159 P163G159-Q161 PolarHBondContact O-N 2.73Å; Q161-P163 WeakPolarHBondContact O-CD 3.38Å
162D92.9Very high92.2Very high49 Ų4969 Ų6926%0.26239%0.391SS..  trans-87.3114.9176.8-177.20.1000110.6A135 G159 M164 G165A135-D162 WeakPolarHBondContact CB-OD2 3.16Å; G159-D162 WeakPolarHBondContact O-CB 3.17Å; G159-D162 PolarHBondContact O-N 3.32Å; D162-M164 PolarHBondContact O-N 2.82Å; D162-M164 WeakPolarHBondContact OD1-CB 3.16Å; D162-M164 PolarHBondContact OD1-N 3.28Å; D162-G165 PolarHBondContact O-N 3.2Å
163P87.8Confident91.8Very high121 Ų12173.3 Ų73.379%0.78641%0.407SS*.Hα-helixtrans-62.7-24.3178.726.9-35.4000113.3Q161Q161-P163 WeakPolarHBondContact O-CD 3.38Å
164M86.1Confident90.8Very high86 Ų8675 Ų7542%0.42441%0.407SS..Hα-helixtrans-82.8-17.6174.5-64-175.3-6500112.7D162 S167 S168D162-M164 PolarHBondContact O-N 2.82Å; D162-M164 WeakPolarHBondContact OD1-CB 3.16Å; D162-M164 PolarHBondContact OD1-N 3.28Å; M164-S167 PolarHBondContact O-OG 3.39Å; M164-S167 VanDerWaalsContact O-OG 3.1Å; M164-S168 WeakPolarHBondContact O-CB 3.49Å; M164-S168 PolarHBondContact O-N 3.11Å
165G85Confident90.5Very high0 Ų075.5 Ų75.50%040%0.4CS..Hα-helixtrans-61.5-50-174.400000112.4D162 F169D162-G165 PolarHBondContact O-N 3.2Å; G165-F169 WeakPolarHBondContact O-CB 3.23Å; G165-F169 PolarHBondContact O-N 3.38Å
166S85.9Confident90.1Very high71 Ų7173.6 Ų73.650%0.49739%0.391SS..Hα-helixtrans-65.1-46-178.2-172.80000112.4F169 Q170S166-F169 PolarHBondContact O-N 3.08Å; S166-Q170 WeakPolarHBondContact O-CG 3.38Å; S166-Q170 PolarHBondContact O-N 2.92Å
167S88.4Confident89.6Confident61 Ų6175.3 Ų75.343%0.42740%0.4SS..Hα-helixtrans-65.3-43.8179.255.30000111.9M164 F169 Q170 H171M164-S167 PolarHBondContact O-OG 3.39Å; M164-S167 VanDerWaalsContact O-OG 3.1Å; S167-F169 VanDerWaalsContact C-N 3.34Å; S167-F169 PolarHBondContact O-N 2.91Å; S167-Q170 PolarHBondContact O-N 3.49Å; S167-H171 PolarHBondContact O-N 2.93Å
168S87.5Confident89.2Confident3 Ų376.1 Ų76.12%0.02140%0.402CS..Hα-helixtrans-60.8-42.6176-166.30000111.8P136 T139 M164 Q170 H171 L172P136-S168 WeakPolarHBondContact CD-OG 3.47Å; P136-S168 PolarHBondContact O-OG 3.28Å; P136-S168 VanDerWaalsContact O-OG 3.05Å; T139-S168 WeakPolarHBondContact CG2-OG 3.3Å; M164-S168 WeakPolarHBondContact O-CB 3.49Å; M164-S168 PolarHBondContact O-N 3.11Å; S168-Q170 PolarHBondContact O-N 2.81Å; S168-H171 PolarHBondContact O-N 3.47Å; S168-L172 WeakPolarHBondContact O-CB 3.29Å; S168-L172 WeakPolarHBondContact O-CD1 3.11Å; S168-L172 VanDerWaalsContact O-CG 3.3Å; S168-L172 WeakPolarHBondContact O-CG 3.23Å; S168-L172 PolarHBondContact O-N 3.09Å; S168-L172 VanDerWaalsContact O-N 3.11Å
169F91.2Very high88.7Confident61 Ų6174.9 Ų74.927%0.26840%0.403SS..Hα-helixtrans-60.9-43.4175.5174-99.6000112.9I156 Y158 G165 S166 S167 H171 L172 K173I156-F169 HydrophobicContact CB-CD2 4.23Å; I156-F169 HydrophobicContact CD1-CD2 4.18Å; I156-F169 HydrophobicContact CD1-CE2 4.32Å; I156-F169 HydrophobicContact CG2-CB 4.5Å; I156-F169 HydrophobicContact CG2-CD2 3.79Å; Y158-F169 HydrophobicContact CD1-CB 4.14Å; Y158-F169 HydrophobicContact CD1-CD2 4.44Å; Y158-F169 HydrophobicContact CE1-CB 3.83Å; Y158-F169 AromaticContact CE1-CD2 3.81Å; Y158-F169 HydrophobicContact CE1-CD2 3.81Å; Y158-F169 AromaticContact CE1-CG 3.85Å; Y158-F169 HydrophobicContact CE1-CG 3.85Å; G165-F169 WeakPolarHBondContact O-CB 3.23Å; G165-F169 PolarHBondContact O-N 3.38Å; S166-F169 PolarHBondContact O-N 3.08Å; S167-F169 VanDerWaalsContact C-N 3.34Å; S167-F169 PolarHBondContact O-N 2.91Å; F169-H171 VanDerWaalsContact C-N 3.29Å; F169-H171 PolarHBondContact O-N 3.13Å; F169-L172 PolarHBondContact O-N 3.48Å; F169-K173 HydrophobicContact CD1-CD 4.37Å; F169-K173 HydrophobicContact CE1-CD 3.83Å; F169-K173 HydrophobicContact CZ-CB 4.45Å; F169-K173 HydrophobicContact CZ-CD 4.18Å; F169-K173 WeakPolarHBondContact O-CG 3.43Å; F169-K173 PolarHBondContact O-N 3.25Å; F169-K173 VanDerWaalsContact O-N 3.13Å
170Q90.3Very high88.2Confident85 Ų8577.3 Ų77.340%0.39740%0.403SS..Hα-helixtrans-61.8-37.1179.9-66.5-57.7-42.900112.5S166 S167 S168 K173S166-Q170 WeakPolarHBondContact O-CG 3.38Å; S166-Q170 PolarHBondContact O-N 2.92Å; S167-Q170 PolarHBondContact O-N 3.49Å; S168-Q170 PolarHBondContact O-N 2.81Å; Q170-K173 WeakPolarHBondContact O-CG 3.46Å
171H87.4Confident87.8Confident61 Ų6173.1 Ų73.128%0.28238%0.38SS..Hα-helixtrans-71.7-40.5177.2-62.9157.3000112.2T139 S167 S168 F169 Q174T139-H171 PolarHBondContact OG1-ND1 2.95Å; S167-H171 PolarHBondContact O-N 2.93Å; S168-H171 PolarHBondContact O-N 3.47Å; F169-H171 VanDerWaalsContact C-N 3.29Å; F169-H171 PolarHBondContact O-N 3.13Å; H171-Q174 WeakPolarHBondContact O-CG 3.4Å; H171-Q174 PolarHBondContact O-NE2 2.82Å
172L88.1Confident87.2Confident20 Ų2066.2 Ų66.211%0.10535%0.351CS..Hα-helixtrans-78.4-19.2-173.4-71.4168.2000115L118 F131 P133 P136 T139 Y147 I156 S168 F169 Q174L118-L172 HydrophobicContact CD2-CD2 3.95Å; F131-L172 HydrophobicContact CE1-CD2 4.42Å; P133-L172 HydrophobicContact CB-CD1 3.75Å; P133-L172 HydrophobicContact CG-CD1 3.74Å; P136-L172 HydrophobicContact CG-CD1 3.86Å; T139-L172 HydrophobicContact CG2-CD1 4.22Å; T139-L172 HydrophobicContact CG2-CD2 4.13Å; T139-L172 HydrophobicContact CG2-CG 3.99Å; Y147-L172 HydrophobicContact CE1-CD2 3.92Å; I156-L172 HydrophobicContact CD1-CB 3.69Å; I156-L172 HydrophobicContact CG1-CB 4.23Å; I156-L172 HydrophobicContact CG2-CD1 4.12Å; S168-L172 WeakPolarHBondContact O-CB 3.29Å; S168-L172 WeakPolarHBondContact O-CD1 3.11Å; S168-L172 VanDerWaalsContact O-CG 3.3Å; S168-L172 WeakPolarHBondContact O-CG 3.23Å; S168-L172 PolarHBondContact O-N 3.09Å; S168-L172 VanDerWaalsContact O-N 3.11Å; F169-L172 PolarHBondContact O-N 3.48Å; L172-Q174 VanDerWaalsContact C-N 3.28Å; L172-Q174 PolarHBondContact O-N 3.28Å
173K88.4Confident86.8Confident115 Ų11567.7 Ų67.750%0.536%0.359SS..THydrogen-bonded Turntrans-83.5-0.2-177.870.8170.1-174.51780114.7I156 F169 Q170I156-K173 HydrophobicContact CD1-CB 4.49Å; F169-K173 HydrophobicContact CD1-CD 4.37Å; F169-K173 HydrophobicContact CE1-CD 3.83Å; F169-K173 HydrophobicContact CZ-CB 4.45Å; F169-K173 HydrophobicContact CZ-CD 4.18Å; F169-K173 WeakPolarHBondContact O-CG 3.43Å; F169-K173 PolarHBondContact O-N 3.25Å; F169-K173 VanDerWaalsContact O-N 3.13Å; Q170-K173 WeakPolarHBondContact O-CG 3.46Å
174Q75.1Confident86.7Confident128 Ų12862.8 Ų62.860%0.59832%0.32SS*.  trans-70.10-179.1-67.117880.300110.8H171 L172H171-Q174 WeakPolarHBondContact O-CG 3.4Å; H171-Q174 PolarHBondContact O-NE2 2.82Å; L172-Q174 VanDerWaalsContact C-N 3.28Å; L172-Q174 PolarHBondContact O-N 3.28Å

Retrieved 174 of 174 residues in 311.6 ms (Link to these results)

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