A0A087WSR2_MOUSE Loading...

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 A0A087WSR2, Species MOUSE (Mus musculus, Mouse), Gene Abhd14b, Length 194 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
1M49.4Very low86.8Confident230 Ų23080.3 Ų80.3100%1.13346%0.457SS*.  0131.20-67.9171.4-158.400106.6G3M1-G3 PolarHBondContact O-N 3.4Å
2A58.2Low87.8Confident61 Ų6185 Ų8550%0.50447%0.468SS..  trans-61.2131.7167.800000107.6Q29A2-Q29 VanDerWaalsContact CB-NE2 3.29Å
3G82.4Confident88.5Confident53 Ų5378.5 Ų78.555%0.54643%0.433SS..  trans-61.3150.5177.900000110.7M1 G26M1-G3 PolarHBondContact O-N 3.4Å; G3-G26 WeakPolarHBondContact O-CA 3.44Å; G3-G26 PolarHBondContact O-N 3.13Å
4V90.6Very high88.9Confident33 Ų3380.4 Ų80.420%0.244%0.436CS..EExtended strand (participates in β ladder)trans-113.5144.8165-660000108.1T23 R24 Q55 A58 E59V4-T23 HydrophobicContact CB-CG2 3.82Å; V4-T23 HydrophobicContact CG2-CG2 3.92Å; V4-R24 WeakPolarHBondContact CA-O 3.46Å; V4-R24 WeakPolarHBondContact CB-O 3.45Å; V4-Q55 HydrophobicContact CG2-CG 4.42Å; V4-A58 HydrophobicContact CB-CB 4.24Å; V4-A58 HydrophobicContact CG1-CB 3.75Å; V4-E59 HydrophobicContact CG1-CG 3.88Å
5D92.8Very high89.3Confident83 Ų8378.7 Ų78.744%0.44445%0.446SS..EExtended strand (participates in β ladder)trans-98.3119.6177.8-64.8-31.6000108.7T23 R24 S27D5-T23 CarbonylContact O-C 3.54Å; D5-T23 WeakPolarHBondContact O-CA 3.35Å; D5-R24 HydrophobicContact CB-CB 4.5Å; D5-R24 PolarHBondContact N-O 2.87Å; D5-R24 PolarHBondContact O-N 3.38Å; D5-S27 PolarHBondContact OD2-N 3.44Å
6Q94.6Very high89.8Confident116 Ų11677.5 Ų77.554%0.54244%0.435SS..EExtended strand (participates in β ladder)trans-104.4136.8179.5-67.1-177.917.500110.4E22 T23Q6-E22 WeakPolarHBondContact CA-O 3.29Å; Q6-T23 HydrophobicContact CG-CG2 3.85Å
7H94.7Very high90.3Very high103 Ų10378.9 Ų78.948%0.47744%0.442SS..EExtended strand (participates in β ladder)trans-142.9141.7179.7179.762.6000110.6F20 E22H7-F20 AromaticContact CD2-CE2 3.88Å; H7-F20 AromaticContact CD2-CZ 3.8Å; H7-F20 AromaticContact NE2-CZ 3.91Å; H7-E22 HydrophobicContact CB-CB 4.48Å; H7-E22 PolarHBondContact N-O 3.21Å; H7-E22 PolarHBondContact O-N 2.92Å
8E97.9Very high90.7Very high85 Ų8574.6 Ų74.640%0.39742%0.417SS..EExtended strand (participates in β ladder)trans-122.1144.5170.6-61.6-178.5-16200108.6F19 F20 R21 R74E8-F19 HydrophobicContact CB-CE2 4.07Å; E8-F19 HydrophobicContact CB-CZ 3.89Å; E8-F19 HydrophobicContact CG-CZ 4.11Å; E8-F19 WeakPolarHBondContact OE2-CZ 3.37Å; E8-F20 WeakPolarHBondContact CA-O 3.34Å; E8-R21 HydrophobicContact CG-CG 4.24Å; E8-R21 IonicContact OE1-CZ 2.82Å; E8-R21 IonicContact OE1-NH1 2.87Å; E8-R21 PolarHBondContact OE1-NH1 3.33Å; E8-R21 IonicContact OE2-NH1 3.25Å; E8-R74 IonicContact OE2-CZ 3.56Å; E8-R74 IonicContact OE2-NH1 3.03Å; E8-R74 PolarHBondContact OE2-NH1 2.81Å
9G97.9Very high91.2Very high16 Ų1671.1 Ų71.117%0.16540%0.397CS..EExtended strand (participates in β ladder)trans-164.1-175.9179.800000113.3F19 F20G9-F19 WeakPolarHBondContact O-CA 3.38Å; G9-F19 VanDerWaalsContact O-CD2 3.27Å; G9-F19 WeakPolarHBondContact O-CD2 3.5Å; G9-F20 VanDerWaalsContact C-CD1 3.47Å; G9-F20 PolarHBondContact N-O 2.98Å; G9-F20 VanDerWaalsContact O-CD1 3.27Å; G9-F20 WeakPolarHBondContact O-CD1 3.46Å; G9-F20 PolarHBondContact O-N 2.83Å
10T98.4Very high91.6Very high86 Ų8668.3 Ų68.353%0.52838%0.381SS..EExtended strand (participates in β ladder)trans-127.2134.4175.4-60.70000108.3N17 L18T10-N17 HydrophobicContact CG2-CB 3.59Å; T10-L18 CarbonylContact C-O 3.5Å; T10-L18 VanDerWaalsContact CA-O 3.28Å; T10-L18 WeakPolarHBondContact CA-O 3.39Å
11I98.2Very high91.9Very high17 Ų1765.5 Ų65.59%0.08736%0.364CS..EExtended strand (participates in β ladder)trans-112.8154173.155.6173.7000110.5V13 N17 L18 F20 V96 T99 L100I11-V13 HydrophobicContact CD1-CG2 3.68Å; I11-V13 HydrophobicContact CG1-CG2 3.99Å; I11-N17 CarbonylContact O-C 3.48Å; I11-N17 WeakPolarHBondContact O-CA 3.08Å; I11-L18 HydrophobicContact CG1-CB 4.12Å; I11-L18 PolarHBondContact N-O 2.82Å; I11-L18 PolarHBondContact O-N 3.27Å; I11-F20 HydrophobicContact CG1-CD1 4.46Å; I11-F20 HydrophobicContact CG2-CD1 3.89Å; I11-F20 HydrophobicContact CG2-CE1 3.68Å; I11-V96 HydrophobicContact CD1-CG1 4.36Å; I11-T99 HydrophobicContact CB-CG2 3.85Å; I11-T99 HydrophobicContact CG2-CG2 4.11Å; I11-L100 HydrophobicContact CD1-CD1 3.77Å; I11-L100 HydrophobicContact CD1-CD2 4.1Å; I11-L100 HydrophobicContact CD1-CG 3.68Å; I11-L100 HydrophobicContact CG2-CD2 3.58Å; I11-L100 HydrophobicContact CG2-CG 4.15Å
12K98.1Very high94.2Very high137 Ų13755 Ų5560%0.59631%0.313SS*.EExtended strand (participates in β ladder)trans-99.3111.5174.3-162.3173-169176.90110.1G15 Q16K12-G15 WeakPolarHBondContact CE-O 3.38Å; K12-Q16 CarbonylContact C-O 3.52Å; K12-Q16 VanDerWaalsContact CA-O 3.27Å; K12-Q16 WeakPolarHBondContact CA-O 3.27Å
13V97.5Very high96.1Very high1 Ų152.3 Ų52.31%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-117.8120.7179.5176.60000108.4I11 G15 Q16 L18 F92 A95 V96I11-V13 HydrophobicContact CD1-CG2 3.68Å; I11-V13 HydrophobicContact CG1-CG2 3.99Å; V13-G15 PolarHBondContact O-N 2.96Å; V13-G15 VanDerWaalsContact O-N 3.09Å; V13-Q16 PolarHBondContact N-O 3.38Å; V13-Q16 PolarHBondContact O-N 3.06Å; V13-L18 HydrophobicContact CB-CD1 3.9Å; V13-L18 HydrophobicContact CB-CG 4.43Å; V13-L18 HydrophobicContact CG1-CD1 4.37Å; V13-L18 HydrophobicContact CG2-CD1 3.99Å; V13-F92 HydrophobicContact CG1-CD2 4.2Å; V13-F92 HydrophobicContact CG1-CE2 4.06Å; V13-A95 HydrophobicContact CG1-CB 3.91Å; V13-V96 HydrophobicContact CG1-CG2 4.03Å; V13-V96 HydrophobicContact CG2-CG2 3.97Å
14Q94.6Very high96.8Very high104 Ų10454.4 Ų54.449%0.48628%0.281SS..THydrogen-bonded Turntrans49.738.3180-58.7-176.22.800113.5S91 A95Q14-S91 PolarHBondContact NE2-O 2.99Å; Q14-A95 HydrophobicContact CG-CB 4.33Å
15G94.5Very high97Very high56 Ų5653.1 Ų53.158%0.57727%0.274SS*.THydrogen-bonded Turntrans89.3-7.8178.900000115.4K12 V13K12-G15 WeakPolarHBondContact CE-O 3.38Å; V13-G15 PolarHBondContact O-N 2.96Å; V13-G15 VanDerWaalsContact O-N 3.09Å
16Q96.6Very high96.9Very high59 Ų5949.6 Ų49.628%0.27626%0.257SS..EExtended strand (participates in β ladder)trans-111.8153.2-176.5-60.1-179.1-57.300112.2K12 V13 A78 A79K12-Q16 CarbonylContact C-O 3.52Å; K12-Q16 VanDerWaalsContact CA-O 3.27Å; K12-Q16 WeakPolarHBondContact CA-O 3.27Å; V13-Q16 PolarHBondContact N-O 3.38Å; V13-Q16 PolarHBondContact O-N 3.06Å; Q16-A78 HydrophobicContact CB-CB 4.14Å; Q16-A79 PolarHBondContact NE2-O 2.89Å; Q16-A79 PolarHBondContact OE1-O 2.93Å; Q16-A79 VanDerWaalsContact OE1-O 3.11Å
17N98.3Very high96.3Very high102 Ų10249.7 Ų49.755%0.54527%0.27SS..EExtended strand (participates in β ladder)trans-90.3123.6179.4-73.6-27.6000110.5T10 I11T10-N17 HydrophobicContact CG2-CB 3.59Å; I11-N17 CarbonylContact O-C 3.48Å; I11-N17 WeakPolarHBondContact O-CA 3.08Å
18L98.8Very high95.5Very high1 Ų148.8 Ų48.81%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-116.1131.1172.7-58.4-179.4000110.2T10 I11 V13 P70 S75 A78 F92 V96T10-L18 CarbonylContact C-O 3.5Å; T10-L18 VanDerWaalsContact CA-O 3.28Å; T10-L18 WeakPolarHBondContact CA-O 3.39Å; I11-L18 HydrophobicContact CG1-CB 4.12Å; I11-L18 PolarHBondContact N-O 2.82Å; I11-L18 PolarHBondContact O-N 3.27Å; V13-L18 HydrophobicContact CB-CD1 3.9Å; V13-L18 HydrophobicContact CB-CG 4.43Å; V13-L18 HydrophobicContact CG1-CD1 4.37Å; V13-L18 HydrophobicContact CG2-CD1 3.99Å; L18-P70 HydrophobicContact CD2-CG 4Å; L18-S75 WeakPolarHBondContact CA-OG 3.5Å; L18-A78 HydrophobicContact CD2-CB 3.72Å; L18-F92 HydrophobicContact CD1-CE2 4.07Å; L18-F92 HydrophobicContact CD1-CZ 3.6Å; L18-V96 HydrophobicContact CD1-CG2 4.24Å
19F98.9Very high94.8Very high8 Ų848.9 Ų48.94%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-77.6145.3173.4-179-98.3000111E8 G9 R21 I67 D68 R74 S75E8-F19 HydrophobicContact CB-CE2 4.07Å; E8-F19 HydrophobicContact CB-CZ 3.89Å; E8-F19 HydrophobicContact CG-CZ 4.11Å; E8-F19 WeakPolarHBondContact OE2-CZ 3.37Å; G9-F19 WeakPolarHBondContact O-CA 3.38Å; G9-F19 VanDerWaalsContact O-CD2 3.27Å; G9-F19 WeakPolarHBondContact O-CD2 3.5Å; F19-R21 HydrophobicContact CE1-CG 3.58Å; F19-R21 HydrophobicContact CZ-CG 4Å; 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 3.34Å; F19-D68 PolarHBondContact O-N 3.06Å; F19-R74 HydrophobicContact CB-CB 3.62Å; F19-R74 HydrophobicContact CD1-CB 3.77Å; F19-R74 HydrophobicContact CD1-CG 4.23Å; F19-R74 HydrophobicContact CD2-CB 4.09Å; F19-R74 HydrophobicContact CE1-CB 4.48Å; F19-R74 HydrophobicContact CE1-CG 4.49Å; F19-R74 HydrophobicContact CG-CB 3.53Å; F19-R74 HydrophobicContact CG-CG 4.33Å; F19-S75 PolarHBondContact N-OG 3.12Å
20F98.9Very high94.3Very high14 Ų1453.5 Ų53.56%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-142.5154.9172.676.3-83.8000112.2H7 E8 G9 I11 E22 V65 A66 I67 L100H7-F20 AromaticContact CD2-CE2 3.88Å; H7-F20 AromaticContact CD2-CZ 3.8Å; H7-F20 AromaticContact NE2-CZ 3.91Å; E8-F20 WeakPolarHBondContact CA-O 3.34Å; G9-F20 VanDerWaalsContact C-CD1 3.47Å; G9-F20 PolarHBondContact N-O 2.98Å; G9-F20 VanDerWaalsContact O-CD1 3.27Å; G9-F20 WeakPolarHBondContact O-CD1 3.46Å; G9-F20 PolarHBondContact O-N 2.83Å; I11-F20 HydrophobicContact CG1-CD1 4.46Å; I11-F20 HydrophobicContact CG2-CD1 3.89Å; I11-F20 HydrophobicContact CG2-CE1 3.68Å; F20-E22 HydrophobicContact CD2-CB 4.06Å; F20-E22 HydrophobicContact CE2-CB 3.88Å; F20-V65 HydrophobicContact CB-CG1 4.37Å; F20-V65 HydrophobicContact CD2-CG1 4.03Å; F20-A66 CarbonylContact C-O 3.57Å; F20-A66 VanDerWaalsContact CA-O 3.25Å; F20-A66 WeakPolarHBondContact CA-O 3.48Å; F20-I67 HydrophobicContact CB-CG2 3.97Å; F20-L100 HydrophobicContact CD1-CD2 4.14Å; F20-L100 HydrophobicContact CD2-CD2 4.17Å; F20-L100 HydrophobicContact CE1-CD2 4.11Å; F20-L100 HydrophobicContact CE2-CD2 4.13Å; F20-L100 HydrophobicContact CG-CD2 4.18Å; F20-L100 HydrophobicContact CZ-CD2 4.1Å
21R98.8Very high94.1Very high10 Ų1052.8 Ų52.84%0.03831%0.312CS..EExtended strand (participates in β ladder)trans-116.6137.8168.5-59.2175.9176.1-77.9-6.2108.2E8 F19 S45 E46 Q49 L54 V65 A66E8-R21 HydrophobicContact CG-CG 4.24Å; E8-R21 IonicContact OE1-CZ 2.82Å; E8-R21 IonicContact OE1-NH1 2.87Å; E8-R21 PolarHBondContact OE1-NH1 3.33Å; E8-R21 IonicContact OE2-NH1 3.25Å; F19-R21 HydrophobicContact CE1-CG 3.58Å; F19-R21 HydrophobicContact CZ-CG 4Å; R21-S45 WeakPolarHBondContact CD-OG 3.45Å; R21-S45 PolarHBondContact NE-OG 3.34Å; R21-E46 IonicContact NH2-OE1 2.81Å; R21-Q49 VanDerWaalsContact CD-OE1 3.31Å; R21-L54 HydrophobicContact CB-CD1 3.9Å; R21-V65 CarbonylContact O-C 3.54Å; R21-V65 WeakPolarHBondContact O-CA 3.47Å; R21-A66 PolarHBondContact N-O 3.44Å; R21-A66 PolarHBondContact O-N 3.22Å
22E98.5Very high94Very high10 Ų1059.3 Ų59.35%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-131.8141.5-178.4174.8173.9-107.700110.1Q6 H7 F20 R24 R63 A64 V65Q6-E22 WeakPolarHBondContact CA-O 3.29Å; H7-E22 HydrophobicContact CB-CB 4.48Å; H7-E22 PolarHBondContact N-O 3.21Å; H7-E22 PolarHBondContact O-N 2.92Å; F20-E22 HydrophobicContact CD2-CB 4.06Å; F20-E22 HydrophobicContact CE2-CB 3.88Å; E22-R24 VanDerWaalsContact CD-NH2 3.34Å; E22-R24 HydrophobicContact CG-CG 3.99Å; E22-R24 IonicContact OE1-CZ 3.66Å; E22-R24 IonicContact OE1-NE 4Å; E22-R24 PolarHBondContact OE1-NE 3.25Å; E22-R24 IonicContact OE1-NH2 3.78Å; E22-R24 PolarHBondContact OE1-NH2 2.95Å; E22-R24 IonicContact OE2-CZ 3.32Å; E22-R24 VanDerWaalsContact OE2-CZ 3.25Å; E22-R24 IonicContact OE2-NE 2.6Å; E22-R24 PolarHBondContact OE2-NE 3.04Å; E22-R24 IonicContact OE2-NH2 3.59Å; E22-R24 PolarHBondContact OE2-NH2 2.96Å; E22-R63 IonicContact OE1-CZ 2.76Å; E22-R63 IonicContact OE1-NE 2.7Å; E22-R63 PolarHBondContact OE1-NE 3.34Å; E22-R63 IonicContact OE1-NH2 3.19Å; E22-R63 PolarHBondContact OE1-NH2 3.32Å; E22-A64 CarbonylContact C-O 3.58Å; E22-A64 VanDerWaalsContact CA-O 3.3Å; E22-A64 WeakPolarHBondContact CA-O 3.45Å; E22-V65 HydrophobicContact CB-CG2 4.24Å; E22-V65 HydrophobicContact CG-CG2 3.94Å; E22-V65 WeakPolarHBondContact OE1-CG2 3.1Å
23T98Very high94Very high4 Ų454.8 Ų54.83%0.02532%0.316CS..EExtended strand (participates in β ladder)trans-133.9129.4167.1-49.90000109.2V4 D5 Q6 L54 A58 A64V4-T23 HydrophobicContact CB-CG2 3.82Å; V4-T23 HydrophobicContact CG2-CG2 3.92Å; D5-T23 CarbonylContact O-C 3.54Å; D5-T23 WeakPolarHBondContact O-CA 3.35Å; Q6-T23 HydrophobicContact CG-CG2 3.85Å; T23-L54 WeakPolarHBondContact OG1-CB 3.49Å; T23-A58 HydrophobicContact CG2-CB 3.49Å; T23-A58 VanDerWaalsContact CG2-CB 3.49Å; T23-A64 PolarHBondContact N-O 2.93Å; T23-A64 PolarHBondContact O-N 2.98Å
24R96.4Very high94Very high97 Ų9755.1 Ų55.137%0.36632%0.318SS..EExtended strand (participates in β ladder)trans-116.5153.5-179-61.1-175.2-175.4-148.50.1110.8V4 D5 E22 R63V4-R24 WeakPolarHBondContact CA-O 3.46Å; V4-R24 WeakPolarHBondContact CB-O 3.45Å; D5-R24 HydrophobicContact CB-CB 4.5Å; D5-R24 PolarHBondContact N-O 2.87Å; D5-R24 PolarHBondContact O-N 3.38Å; E22-R24 VanDerWaalsContact CD-NH2 3.34Å; E22-R24 HydrophobicContact CG-CG 3.99Å; E22-R24 IonicContact OE1-CZ 3.66Å; E22-R24 IonicContact OE1-NE 4Å; E22-R24 PolarHBondContact OE1-NE 3.25Å; E22-R24 IonicContact OE1-NH2 3.78Å; E22-R24 PolarHBondContact OE1-NH2 2.95Å; E22-R24 IonicContact OE2-CZ 3.32Å; E22-R24 VanDerWaalsContact OE2-CZ 3.25Å; E22-R24 IonicContact OE2-NE 2.6Å; E22-R24 PolarHBondContact OE2-NE 3.04Å; E22-R24 IonicContact OE2-NH2 3.59Å; E22-R24 PolarHBondContact OE2-NH2 2.96Å; R24-R63 HydrophobicContact CG-CG 4.27Å; R24-R63 VanDerWaalsContact NH2-CZ 3.32Å
25P95.1Very high94.2Very high7 Ų750.4 Ų50.45%0.04530%0.296CS..EExtended strand (participates in β ladder)trans-52.7141.1161.3-19.732.8000109.3Q29 V31 Y62P25-Q29 HydrophobicContact CB-CB 3.9Å; P25-V31 HydrophobicContact CG-CG2 4.21Å; P25-Y62 WeakPolarHBondContact CD-O 3.37Å
26G89.9Confident94.4Very high8 Ų847.8 Ų47.88%0.08227%0.269CS..  trans-61.1159.4-176.300000113.5G3 G28 Q29G3-G26 WeakPolarHBondContact O-CA 3.44Å; G3-G26 PolarHBondContact O-N 3.13Å; G26-G28 PolarHBondContact O-N 3.37Å; G26-Q29 WeakPolarHBondContact O-CB 3.34Å; G26-Q29 WeakPolarHBondContact O-CG 3.35Å; G26-Q29 PolarHBondContact O-N 3.41Å
27S82.1Confident94.6Very high119 Ų11945 Ų4583%0.83226%0.256SS*.THydrogen-bonded Turntrans-43.1131.3-178.9-1680000114D5D5-S27 PolarHBondContact OD2-N 3.44Å
28G78.4Confident94.6Very high84 Ų8440.1 Ų40.187%0.86623%0.23SC*.THydrogen-bonded Turntrans86-4.9-178.500000115.3G26G26-G28 PolarHBondContact O-N 3.37Å
29Q83.8Confident94.6Very high86 Ų8640 Ų4040%0.40223%0.229SC..PPolyproline II helixtrans-90.5137.6173.9-62.7-162.7-11.600112.3A2 P25 G26 V31A2-Q29 VanDerWaalsContact CB-NE2 3.29Å; P25-Q29 HydrophobicContact CB-CB 3.9Å; G26-Q29 WeakPolarHBondContact O-CB 3.34Å; G26-Q29 WeakPolarHBondContact O-CG 3.35Å; G26-Q29 PolarHBondContact O-N 3.41Å; Q29-V31 PolarHBondContact O-N 3.05Å
30P87.6Confident94.6Very high114 Ų11439.7 Ų39.774%0.7423%0.228SC*.PPolyproline II helixtrans-69.1130.3176.528.4-33.3000110.8
31V94.3Very high94.5Very high70 Ų7043 Ų4342%0.42425%0.245SC..PPolyproline II helixtrans-82.4125.3171.2179.10000109P25 Q29 R63P25-V31 HydrophobicContact CG-CG2 4.21Å; Q29-V31 PolarHBondContact O-N 3.05Å; V31-R63 HydrophobicContact CG1-CB 3.64Å
32R95.6Very high94.5Very high154 Ų15451.3 Ų51.358%0.58128%0.277SS*.  trans-71.6-57.3179.6-64.6177.966-168.7-0.1112.2G61 Y62R32-G61 PolarHBondContact N-O 2.83Å; R32-Y62 HydrophobicContact CB-CD1 4.13Å; R32-Y62 HydrophobicContact CB-CE1 4.26Å; R32-Y62 VanDerWaalsContact NH1-CZ 3.26Å; R32-Y62 PolarHBondContact NH1-OH 2.97Å
33F97.3Very high94.4Very high43 Ų4352.9 Ų52.919%0.18928%0.284CS..  trans-168.5171175.948.9-101.5000109.4V35 Y62 R63 V106F33-V35 HydrophobicContact CE2-CG2 4.45Å; F33-Y62 HydrophobicContact CD1-CE1 4.43Å; F33-Y62 AromaticContact CD2-CD1 3.91Å; F33-Y62 HydrophobicContact CD2-CD1 3.91Å; F33-Y62 HydrophobicContact CD2-CE1 4.22Å; F33-Y62 HydrophobicContact CE1-CD1 4.33Å; F33-Y62 AromaticContact CE1-CE1 3.79Å; F33-Y62 HydrophobicContact CE1-CE1 3.79Å; F33-Y62 AromaticContact CE2-CD1 3.61Å; F33-Y62 HydrophobicContact CE2-CD1 3.61Å; F33-Y62 AromaticContact CE2-CE1 3.52Å; F33-Y62 HydrophobicContact CE2-CE1 3.52Å; F33-Y62 HydrophobicContact CG-CD1 4.4Å; F33-Y62 AromaticContact CZ-CD1 3.87Å; F33-Y62 HydrophobicContact CZ-CD1 3.87Å; F33-Y62 AromaticContact CZ-CE1 3.3Å; F33-Y62 HydrophobicContact CZ-CE1 3.3Å; F33-R63 PolarHBondContact O-N 2.87Å; F33-R63 VanDerWaalsContact O-N 3.12Å; F33-V106 HydrophobicContact CD2-CG2 4.16Å; F33-V106 HydrophobicContact CE2-CG2 3.65Å; F33-V106 HydrophobicContact CZ-CG2 4.46Å
34S98.5Very high94.5Very high7 Ų753.4 Ų53.45%0.04929%0.287CS..EExtended strand (participates in β ladder)trans-88146.2-179.4-51.70000112.3R63 L102 P105 V106S34-R63 CarbonylContact C-O 3.31Å; S34-R63 VanDerWaalsContact CA-O 3.28Å; S34-R63 WeakPolarHBondContact CA-O 3.48Å; S34-L102 VanDerWaalsContact CB-O 3.31Å; S34-L102 WeakPolarHBondContact CB-O 3.35Å; S34-L102 PolarHBondContact OG-O 2.85Å; S34-P105 CarbonylContact O-C 3.57Å; S34-P105 VanDerWaalsContact O-CA 3.28Å; S34-P105 WeakPolarHBondContact O-CA 3.46Å; S34-V106 PolarHBondContact O-N 3.14Å
35V98.9Very high94.6Very high6 Ų648.8 Ų48.84%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-120117.6169.5-175.10000107.2F33 L37 L57 Y62 R63 V65 V106 I108F33-V35 HydrophobicContact CE2-CG2 4.45Å; V35-L37 HydrophobicContact CB-CD1 4.47Å; V35-L37 HydrophobicContact CG1-CD1 4.07Å; V35-L37 HydrophobicContact CG1-CG 4.39Å; V35-L37 WeakPolarHBondContact O-CD1 3.3Å; V35-L57 HydrophobicContact CB-CD1 4.17Å; V35-L57 HydrophobicContact CG1-CD1 3.96Å; V35-L57 HydrophobicContact CG2-CD2 4.43Å; V35-Y62 HydrophobicContact CG2-CG 4.32Å; V35-R63 PolarHBondContact N-O 3.44Å; V35-V65 PolarHBondContact O-N 2.84Å; V35-V106 CarbonylContact C-O 3.55Å; V35-V106 WeakPolarHBondContact CA-O 3.28Å; V35-V106 HydrophobicContact CG1-CB 4.4Å; V35-V106 HydrophobicContact CG1-CG1 4.48Å; V35-V106 HydrophobicContact CG2-CB 4.32Å; V35-I108 HydrophobicContact CG1-CD1 3.83Å; V35-I108 HydrophobicContact CG1-CG1 3.95Å
36L98.9Very high94.8Very high0 Ų053 Ų530%029%0.289CS..EExtended strand (participates in β ladder)trans-96119175.5176.660.9000109L38 V65 I67 V96 V97 L102 P105 V106 V107 I108L36-L38 HydrophobicContact CD1-CD2 4.45Å; L36-L38 HydrophobicContact CD2-CD2 4.33Å; L36-L38 HydrophobicContact CG-CD2 4.16Å; L36-V65 CarbonylContact C-O 3.56Å; L36-V65 WeakPolarHBondContact CA-O 3.44Å; L36-I67 HydrophobicContact CD1-CG2 4.02Å; L36-V96 HydrophobicContact CD2-CG1 4.42Å; L36-V97 HydrophobicContact CD2-CG2 4.15Å; L36-L102 HydrophobicContact CB-CD1 4.18Å; L36-L102 HydrophobicContact CD1-CD1 4.25Å; L36-L102 HydrophobicContact CD2-CD1 4.49Å; L36-P105 HydrophobicContact CB-CB 4.43Å; L36-V106 PolarHBondContact N-O 2.71Å; L36-V107 HydrophobicContact CB-CG2 4.4Å; L36-V107 HydrophobicContact CD2-CG2 4.41Å; L36-V107 WeakPolarHBondContact O-CA 3.38Å; L36-I108 PolarHBondContact O-N 3.26Å
37L98.9Very high95.2Very high0 Ų053.9 Ų53.90%029%0.293CS..EExtended strand (participates in β ladder)trans-104.5119.7179.7-57.987.6000109.7V35 W48 T53 L54 L57 A64 V65 A66 I67 I108V35-L37 HydrophobicContact CB-CD1 4.47Å; V35-L37 HydrophobicContact CG1-CD1 4.07Å; V35-L37 HydrophobicContact CG1-CG 4.39Å; V35-L37 WeakPolarHBondContact O-CD1 3.3Å; L37-W48 HydrophobicContact CB-CD2 4.49Å; L37-W48 HydrophobicContact CB-CG 4.28Å; L37-W48 HydrophobicContact CD2-CB 4.29Å; L37-W48 HydrophobicContact CD2-CD2 3.73Å; L37-W48 HydrophobicContact CD2-CE3 4.02Å; L37-W48 HydrophobicContact CD2-CG 3.87Å; L37-T53 HydrophobicContact CD2-CG2 3.7Å; L37-L54 HydrophobicContact CD1-CD2 3.72Å; L37-L54 HydrophobicContact CD2-CD2 4.23Å; L37-L57 HydrophobicContact CD1-CD1 4.1Å; L37-L57 HydrophobicContact CD2-CD1 4.21Å; L37-A64 HydrophobicContact CD1-CB 4.32Å; L37-V65 WeakPolarHBondContact CD1-O 3.34Å; L37-V65 PolarHBondContact N-O 3.44Å; L37-A66 HydrophobicContact CB-CB 4.02Å; L37-A66 WeakPolarHBondContact O-CA 3.43Å; L37-I67 PolarHBondContact O-N 3.12Å; L37-I108 HydrophobicContact CD2-CD1 4.18Å; L37-I108 HydrophobicContact CG-CB 4.44Å; L37-I108 HydrophobicContact CG-CD1 4.15Å
38L98.9Very high96Very high0 Ų048.8 Ų48.80%026%0.255CS..  trans-97.1176.2170.4-49.6-179.8000109.5L36 W48 I67 L69 L93 V107 I108 P110L36-L38 HydrophobicContact CD1-CD2 4.45Å; L36-L38 HydrophobicContact CD2-CD2 4.33Å; L36-L38 HydrophobicContact CG-CD2 4.16Å; L38-W48 PolarHBondContact O-NE1 3.24Å; L38-I67 HydrophobicContact CD2-CD1 3.73Å; L38-I67 HydrophobicContact CD2-CG1 3.82Å; L38-L69 HydrophobicContact CD2-CD2 4.43Å; L38-L93 HydrophobicContact CD1-CD1 3.86Å; L38-L93 HydrophobicContact CD1-CD2 4.47Å; L38-L93 HydrophobicContact CD2-CD2 4.11Å; L38-V107 HydrophobicContact CD1-CG1 4.08Å; L38-V107 HydrophobicContact CG-CG1 4.39Å; L38-I108 WeakPolarHBondContact CB-O 3.22Å; L38-I108 PolarHBondContact N-O 3.01Å; L38-P110 WeakPolarHBondContact O-CD 3.41Å
39H98.8Very high96.9Very high0 Ų047.7 Ų47.70%023%0.228CC..  trans-138.9162.7-176.667.683.9000113.2F43 I67 L69 S113H39-F43 HydrophobicContact CB-CB 4.33Å; H39-F43 PolarHBondContact CE1-O 3Å; H39-F43 PolarHBondContact ND1-O 3.5Å; H39-I67 PolarHBondContact CD2-O 3.33Å; H39-I67 VanDerWaalsContact CD2-O 3.25Å; H39-L69 PolarHBondContact NE2-N 3.39Å; H39-S113 WeakPolarHBondContact O-CB 3.26Å
40G98.1Very high97.6Very high1 Ų149.3 Ų49.31%0.0124%0.239CC..  trans-80.2166.7170.700000112.1R42 F43G40-R42 PolarHBondContact O-N 2.86Å; G40-R42 VanDerWaalsContact O-N 3.13Å; G40-F43 PolarHBondContact O-N 3.35Å
41I97.9Very high98.1Very high82 Ų8246.7 Ų46.742%0.42122%0.219SC..THydrogen-bonded Turntrans-59.1-29.3-172.7-163.4167.6000114.9L72 I84 L112I41-L72 HydrophobicContact CG1-CD1 4.38Å; I41-L72 HydrophobicContact CG1-CD2 4.29Å; I41-I84 HydrophobicContact CD1-CD1 3.77Å; I41-L112 HydrophobicContact CB-CB 4.17Å; I41-L112 HydrophobicContact CB-CD2 3.79Å; I41-L112 HydrophobicContact CB-CG 4.39Å; I41-L112 HydrophobicContact CG1-CD2 4.03Å
42R97.6Very high98.3Very high186 Ų18644 Ų4470%0.70221%0.205SC*.THydrogen-bonded Turntrans-88.4-1.5-179.9-66-169.9-67.8174.7-1.2113.9G40G40-R42 PolarHBondContact O-N 2.86Å; G40-R42 VanDerWaalsContact O-N 3.13Å
43F98.3Very high98.4Very high43 Ų4338 Ų3819%0.18919%0.185CC..  trans-127.4-179.5-170.1-56.6-64.2000110.3H39 G40 T47 P189 L192H39-F43 HydrophobicContact CB-CB 4.33Å; H39-F43 PolarHBondContact CE1-O 3Å; H39-F43 PolarHBondContact ND1-O 3.5Å; G40-F43 PolarHBondContact O-N 3.35Å; F43-T47 HydrophobicContact CB-CG2 4.32Å; F43-T47 WeakPolarHBondContact CB-OG1 3.44Å; F43-T47 HydrophobicContact CD1-CG2 3.85Å; F43-T47 HydrophobicContact CG-CG2 4.28Å; F43-P189 HydrophobicContact CE2-CB 3.85Å; F43-P189 HydrophobicContact CZ-CB 3.87Å; F43-P189 HydrophobicContact CZ-CG 4.27Å; F43-L192 HydrophobicContact CD1-CD1 4.33Å; F43-L192 HydrophobicContact CE1-CD1 3.53Å; F43-L192 HydrophobicContact CZ-CD1 3.67Å
44S98.8Very high98.5Very high14 Ų1436 Ų3610%0.09818%0.177CC..  trans-155.7-177.2177.8670000110.1E46 T47 D68S44-E46 PolarHBondContact O-N 2.91Å; S44-E46 WeakPolarHBondContact OG-CB 3.36Å; S44-E46 PolarHBondContact OG-N 2.96Å; S44-T47 PolarHBondContact N-OG1 3.43Å; S44-T47 WeakPolarHBondContact O-CB 3.28Å; S44-T47 PolarHBondContact O-N 2.7Å; S44-T47 PolarHBondContact O-OG1 2.88Å; S44-D68 WeakPolarHBondContact CB-OD1 3.4Å
45S98.8Very high98.4Very high0 Ų039.4 Ų39.40%019%0.192CC..Hα-helixtrans-53.2-30.616961.60000113.2R21 T47 W48 Q49 A66 D68R21-S45 WeakPolarHBondContact CD-OG 3.45Å; R21-S45 PolarHBondContact NE-OG 3.34Å; S45-T47 VanDerWaalsContact C-N 3.28Å; S45-T47 PolarHBondContact O-N 2.95Å; S45-W48 PolarHBondContact O-N 3.14Å; S45-Q49 PolarHBondContact O-N 2.92Å; S45-Q49 VanDerWaalsContact O-N 3.14Å; S45-A66 WeakPolarHBondContact CB-O 3.46Å; S45-D68 WeakPolarHBondContact CB-OD1 3.46Å; S45-D68 PolarHBondContact N-OD1 3.32Å; S45-D68 PolarHBondContact OG-OD1 3.42Å
46E98.6Very high98.4Very high95 Ų9547.7 Ų47.744%0.44422%0.222SC..Hα-helixtrans-63.5-33.8177.4-177.5174.2-107.400112.1R21 S44 W48 Q49 N50R21-E46 IonicContact NH2-OE1 2.81Å; S44-E46 PolarHBondContact O-N 2.91Å; S44-E46 WeakPolarHBondContact OG-CB 3.36Å; S44-E46 PolarHBondContact OG-N 2.96Å; E46-W48 VanDerWaalsContact C-N 3.33Å; E46-W48 PolarHBondContact O-N 3.5Å; E46-Q49 PolarHBondContact O-N 2.76Å; E46-N50 WeakPolarHBondContact O-CB 3.41Å; E46-N50 VanDerWaalsContact O-CG 3.29Å; E46-N50 PolarHBondContact O-N 2.76Å
47T98.7Very high98.3Very high27 Ų2749.3 Ų49.317%0.16623%0.231CC..Hα-helixtrans-60.8-43.8175.4-51.60000111.1F43 S44 S45 Q49 N50 L51 L192F43-T47 HydrophobicContact CB-CG2 4.32Å; F43-T47 WeakPolarHBondContact CB-OG1 3.44Å; F43-T47 HydrophobicContact CD1-CG2 3.85Å; F43-T47 HydrophobicContact CG-CG2 4.28Å; S44-T47 PolarHBondContact N-OG1 3.43Å; S44-T47 WeakPolarHBondContact O-CB 3.28Å; S44-T47 PolarHBondContact O-N 2.7Å; S44-T47 PolarHBondContact O-OG1 2.88Å; S45-T47 VanDerWaalsContact C-N 3.28Å; S45-T47 PolarHBondContact O-N 2.95Å; T47-Q49 VanDerWaalsContact C-N 3.35Å; T47-Q49 PolarHBondContact O-N 2.87Å; T47-N50 PolarHBondContact O-N 2.82Å; T47-L51 VanDerWaalsContact O-CB 3.26Å; T47-L51 WeakPolarHBondContact O-CB 3.34Å; T47-L51 PolarHBondContact O-N 3.03Å; T47-L192 HydrophobicContact CG2-CD1 4.44Å; T47-L192 HydrophobicContact CG2-CD2 3.98Å
48W98.7Very high98.2Very high12 Ų1249.3 Ų49.35%0.04523%0.231CC..Hα-helixtrans-66.8-35.4176.9-66.7121.9000113.2L37 L38 S45 E46 L51 G52 T53 L54 A66 I108 P110 Y191L37-W48 HydrophobicContact CB-CD2 4.49Å; L37-W48 HydrophobicContact CB-CG 4.28Å; L37-W48 HydrophobicContact CD2-CB 4.29Å; L37-W48 HydrophobicContact CD2-CD2 3.73Å; L37-W48 HydrophobicContact CD2-CE3 4.02Å; L37-W48 HydrophobicContact CD2-CG 3.87Å; L38-W48 PolarHBondContact O-NE1 3.24Å; S45-W48 PolarHBondContact O-N 3.14Å; E46-W48 VanDerWaalsContact C-N 3.33Å; E46-W48 PolarHBondContact O-N 3.5Å; W48-L51 HydrophobicContact CE3-CD2 4.13Å; W48-L51 HydrophobicContact CZ3-CD2 4.08Å; W48-G52 PolarHBondContact O-N 2.6Å; W48-T53 HydrophobicContact CE3-CG2 3.89Å; W48-T53 HydrophobicContact CZ3-CG2 4.23Å; W48-T53 PolarHBondContact O-N 2.79Å; W48-L54 HydrophobicContact CB-CD2 4.46Å; W48-L54 HydrophobicContact CB-CG 4.23Å; W48-A66 HydrophobicContact CB-CB 4.4Å; W48-I108 HydrophobicContact CH2-CG2 4.31Å; W48-I108 HydrophobicContact CZ2-CG2 4.26Å; W48-P110 HydrophobicContact CZ2-CG 4.09Å; W48-Y191 HydrophobicContact CH2-CD1 4.22Å; W48-Y191 AromaticContact CH2-CD2 3.88Å; W48-Y191 HydrophobicContact CH2-CD2 3.88Å; W48-Y191 HydrophobicContact CH2-CE1 4.43Å; W48-Y191 HydrophobicContact CH2-CE2 4.09Å; W48-Y191 AromaticContact CH2-CG 3.95Å; W48-Y191 HydrophobicContact CH2-CG 3.95Å; W48-Y191 AromaticContact CZ3-CD2 3.91Å; W48-Y191 HydrophobicContact CZ3-CD2 3.91Å; W48-Y191 HydrophobicContact CZ3-CE2 4.39Å; W48-Y191 HydrophobicContact CZ3-CG 4.17Å
49Q98.3Very high98.1Very high61 Ų6154 Ų5429%0.28525%0.253SS..Hα-helixtrans-64.7-50.9174-178.1172.9-59.700111R21 S45 E46 T47 L51 G52 L54R21-Q49 VanDerWaalsContact CD-OE1 3.31Å; S45-Q49 PolarHBondContact O-N 2.92Å; S45-Q49 VanDerWaalsContact O-N 3.14Å; E46-Q49 PolarHBondContact O-N 2.76Å; T47-Q49 VanDerWaalsContact C-N 3.35Å; T47-Q49 PolarHBondContact O-N 2.87Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; Q49-L51 PolarHBondContact O-N 3.32Å; Q49-G52 WeakPolarHBondContact O-CA 3.3Å; Q49-G52 PolarHBondContact O-N 2.82Å; Q49-L54 HydrophobicContact CB-CD1 4.2Å
50N98.1Very high98Very high120 Ų12056.6 Ų56.664%0.64227%0.274SS*.Hα-helixtrans-67.4-33.1-177.4-67.8-12.7000112.6E46 T47 G52E46-N50 WeakPolarHBondContact O-CB 3.41Å; E46-N50 VanDerWaalsContact O-CG 3.29Å; E46-N50 PolarHBondContact O-N 2.76Å; T47-N50 PolarHBondContact O-N 2.82Å; N50-G52 PolarHBondContact O-N 3.31Å
51L98Very high97.9Very high60 Ų6057 Ų5731%0.31428%0.279SS..THydrogen-bonded Turntrans-69.1-14.6171.9-171.661.5000112.6T47 W48 Q49 T53 Y191 L192T47-L51 VanDerWaalsContact O-CB 3.26Å; T47-L51 WeakPolarHBondContact O-CB 3.34Å; T47-L51 PolarHBondContact O-N 3.03Å; W48-L51 HydrophobicContact CE3-CD2 4.13Å; W48-L51 HydrophobicContact CZ3-CD2 4.08Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; Q49-L51 PolarHBondContact O-N 3.32Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 WeakPolarHBondContact CD2-OG1 3.5Å; L51-T53 PolarHBondContact O-N 3.48Å; L51-Y191 HydrophobicContact CD2-CD2 4.13Å; L51-Y191 WeakPolarHBondContact CD2-O 3.37Å; L51-L192 HydrophobicContact CD1-CD2 4.18Å; L51-L192 HydrophobicContact CD2-CD2 4.13Å
52G98Very high97.9Very high13 Ų1355.4 Ų55.413%0.13427%0.268CS..THydrogen-bonded Turntrans76.913.3-176.800000113.9W48 Q49 N50 Q55 R56W48-G52 PolarHBondContact O-N 2.6Å; Q49-G52 WeakPolarHBondContact O-CA 3.3Å; Q49-G52 PolarHBondContact O-N 2.82Å; N50-G52 PolarHBondContact O-N 3.31Å; G52-Q55 PolarHBondContact O-N 3.39Å; G52-R56 WeakPolarHBondContact O-CG 3.34Å; G52-R56 PolarHBondContact O-N 3.23Å
53T98.5Very high97.9Very high27 Ų2747.8 Ų47.817%0.16624%0.239CC..Hα-helixtrans-66.6-42.4-177-58.60000111.6L37 W48 L51 Q55 R56 L57L37-T53 HydrophobicContact CD2-CG2 3.7Å; W48-T53 HydrophobicContact CE3-CG2 3.89Å; W48-T53 HydrophobicContact CZ3-CG2 4.23Å; W48-T53 PolarHBondContact O-N 2.79Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 WeakPolarHBondContact CD2-OG1 3.5Å; L51-T53 PolarHBondContact O-N 3.48Å; T53-Q55 VanDerWaalsContact C-N 3.3Å; T53-Q55 PolarHBondContact O-N 3.14Å; T53-R56 PolarHBondContact O-N 2.99Å; T53-L57 HydrophobicContact CG2-CD1 4.08Å; T53-L57 HydrophobicContact CG2-CG 4.49Å; T53-L57 WeakPolarHBondContact O-CB 3.36Å; T53-L57 WeakPolarHBondContact O-CG 3.28Å; T53-L57 PolarHBondContact O-N 3.29Å
54L98.4Very high98Very high2 Ų245.8 Ų45.81%0.0123%0.23CC..Hα-helixtrans-59.4-44176.7-60.9-179.2000111.3R21 T23 L37 W48 Q49 A58 A64 A66R21-L54 HydrophobicContact CB-CD1 3.9Å; T23-L54 WeakPolarHBondContact OG1-CB 3.49Å; L37-L54 HydrophobicContact CD1-CD2 3.72Å; L37-L54 HydrophobicContact CD2-CD2 4.23Å; W48-L54 HydrophobicContact CB-CD2 4.46Å; W48-L54 HydrophobicContact CB-CG 4.23Å; Q49-L54 HydrophobicContact CB-CD1 4.2Å; L54-A58 WeakPolarHBondContact O-CB 3.42Å; L54-A58 PolarHBondContact O-N 2.8Å; L54-A64 HydrophobicContact CB-CB 4.33Å; L54-A64 HydrophobicContact CD2-CB 3.8Å; L54-A66 HydrophobicContact CD1-CB 4.38Å; L54-A66 HydrophobicContact CD2-CB 3.99Å
55Q97.5Very high98Very high79 Ų7945.1 Ų45.137%0.36923%0.225SC..Hα-helixtrans-63.7-50.1177.6179.4173-4.400112V4 G52 T53 L57 A58 E59V4-Q55 HydrophobicContact CG2-CG 4.42Å; G52-Q55 PolarHBondContact O-N 3.39Å; T53-Q55 VanDerWaalsContact C-N 3.3Å; T53-Q55 PolarHBondContact O-N 3.14Å; Q55-L57 VanDerWaalsContact C-N 3.28Å; Q55-L57 PolarHBondContact O-N 3.12Å; Q55-A58 PolarHBondContact O-N 3.25Å; Q55-A58 VanDerWaalsContact O-N 3.13Å; Q55-E59 HydrophobicContact CG-CG 4.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.41Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 WeakPolarHBondContact O-CG 3.35Å; Q55-E59 PolarHBondContact O-N 2.85Å
56R97.6Very high98Very high179 Ų17945.1 Ų45.168%0.67523%0.225SC*.Hα-helixtrans-60.2-38.3180-70.6-179.3-155.6-84.34.4112.5G52 T53 A60G52-R56 WeakPolarHBondContact O-CG 3.34Å; G52-R56 PolarHBondContact O-N 3.23Å; T53-R56 PolarHBondContact O-N 2.99Å; R56-A60 WeakPolarHBondContact O-CB 3.23Å; R56-A60 PolarHBondContact O-N 3.45Å; R56-A60 VanDerWaalsContact O-N 3.12Å
57L98.1Very high98Very high34 Ų3440.6 Ų40.618%0.17820%0.204CC..Hα-helixtrans-66.2-42.8175.8-73.8172.5000111.6V35 L37 T53 Q55 A60 G61 Y62 A64V35-L57 HydrophobicContact CB-CD1 4.17Å; V35-L57 HydrophobicContact CG1-CD1 3.96Å; V35-L57 HydrophobicContact CG2-CD2 4.43Å; L37-L57 HydrophobicContact CD1-CD1 4.1Å; L37-L57 HydrophobicContact CD2-CD1 4.21Å; T53-L57 HydrophobicContact CG2-CD1 4.08Å; T53-L57 HydrophobicContact CG2-CG 4.49Å; T53-L57 WeakPolarHBondContact O-CB 3.36Å; T53-L57 WeakPolarHBondContact O-CG 3.28Å; T53-L57 PolarHBondContact O-N 3.29Å; Q55-L57 VanDerWaalsContact C-N 3.28Å; Q55-L57 PolarHBondContact O-N 3.12Å; L57-A60 CarbonylContact O-C 3.55Å; L57-A60 PolarHBondContact O-N 2.8Å; L57-G61 PolarHBondContact O-N 3.44Å; L57-Y62 HydrophobicContact CB-CD2 4.48Å; L57-Y62 HydrophobicContact CD2-CD2 3.98Å; L57-Y62 WeakPolarHBondContact O-CB 3.28Å; L57-Y62 VanDerWaalsContact O-CD2 3.27Å; L57-Y62 WeakPolarHBondContact O-CD2 3.31Å; L57-Y62 PolarHBondContact O-N 2.79Å; L57-A64 HydrophobicContact CB-CB 3.76Å; L57-A64 HydrophobicContact CD1-CB 3.94Å
58A97.4Very high98Very high0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-64.4-43.9176.300000113V4 T23 L54 Q55 A60 G61 Y62V4-A58 HydrophobicContact CB-CB 4.24Å; V4-A58 HydrophobicContact CG1-CB 3.75Å; T23-A58 HydrophobicContact CG2-CB 3.49Å; T23-A58 VanDerWaalsContact CG2-CB 3.49Å; L54-A58 WeakPolarHBondContact O-CB 3.42Å; L54-A58 PolarHBondContact O-N 2.8Å; Q55-A58 PolarHBondContact O-N 3.25Å; Q55-A58 VanDerWaalsContact O-N 3.13Å; A58-A60 PolarHBondContact O-N 2.76Å; A58-G61 PolarHBondContact O-N 2.83Å; A58-Y62 VanDerWaalsContact CA-O 3.29Å; A58-Y62 WeakPolarHBondContact CA-O 3.44Å
59E95.9Very high98Very high100 Ų10038.8 Ų38.847%0.46720%0.195SC..Hα-helixtrans-60.8-28.3174.1-71.1172.2175.600112.3V4 Q55 G61V4-E59 HydrophobicContact CG1-CG 3.88Å; Q55-E59 HydrophobicContact CG-CG 4.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.41Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 WeakPolarHBondContact O-CG 3.35Å; Q55-E59 PolarHBondContact O-N 2.85Å; E59-G61 VanDerWaalsContact C-N 3.29Å
60A96.3Very high98Very high53 Ų5336.2 Ų36.244%0.43818%0.183SC..THydrogen-bonded Turntrans-84.65.3173.800000114.3R56 L57 A58 Y62R56-A60 WeakPolarHBondContact O-CB 3.23Å; R56-A60 PolarHBondContact O-N 3.45Å; R56-A60 VanDerWaalsContact O-N 3.12Å; L57-A60 CarbonylContact O-C 3.55Å; L57-A60 PolarHBondContact O-N 2.8Å; A58-A60 PolarHBondContact O-N 2.76Å; A60-Y62 HydrophobicContact CB-CD2 3.79Å; A60-Y62 HydrophobicContact CB-CE2 3.67Å
61G96.6Very high98Very high11 Ų1132.2 Ų32.211%0.11317%0.171CC..THydrogen-bonded Turntrans89.716.1175.100000115.3R32 L57 A58 E59R32-G61 PolarHBondContact N-O 2.83Å; L57-G61 PolarHBondContact O-N 3.44Å; A58-G61 PolarHBondContact O-N 2.83Å; E59-G61 VanDerWaalsContact C-N 3.29Å
62Y98.1Very high98Very high47 Ų4731.2 Ų31.218%0.18417%0.165CC..  trans-104.4146.1179.5-52.3-70.2000112.1P25 R32 F33 V35 L57 A58 A60 A64P25-Y62 WeakPolarHBondContact CD-O 3.37Å; R32-Y62 HydrophobicContact CB-CD1 4.13Å; R32-Y62 HydrophobicContact CB-CE1 4.26Å; R32-Y62 VanDerWaalsContact NH1-CZ 3.26Å; R32-Y62 PolarHBondContact NH1-OH 2.97Å; F33-Y62 HydrophobicContact CD1-CE1 4.43Å; F33-Y62 AromaticContact CD2-CD1 3.91Å; F33-Y62 HydrophobicContact CD2-CD1 3.91Å; F33-Y62 HydrophobicContact CD2-CE1 4.22Å; F33-Y62 HydrophobicContact CE1-CD1 4.33Å; F33-Y62 AromaticContact CE1-CE1 3.79Å; F33-Y62 HydrophobicContact CE1-CE1 3.79Å; F33-Y62 AromaticContact CE2-CD1 3.61Å; F33-Y62 HydrophobicContact CE2-CD1 3.61Å; F33-Y62 AromaticContact CE2-CE1 3.52Å; F33-Y62 HydrophobicContact CE2-CE1 3.52Å; F33-Y62 HydrophobicContact CG-CD1 4.4Å; F33-Y62 AromaticContact CZ-CD1 3.87Å; F33-Y62 HydrophobicContact CZ-CD1 3.87Å; F33-Y62 AromaticContact CZ-CE1 3.3Å; F33-Y62 HydrophobicContact CZ-CE1 3.3Å; V35-Y62 HydrophobicContact CG2-CG 4.32Å; L57-Y62 HydrophobicContact CB-CD2 4.48Å; L57-Y62 HydrophobicContact CD2-CD2 3.98Å; L57-Y62 WeakPolarHBondContact O-CB 3.28Å; L57-Y62 VanDerWaalsContact O-CD2 3.27Å; L57-Y62 WeakPolarHBondContact O-CD2 3.31Å; L57-Y62 PolarHBondContact O-N 2.79Å; A58-Y62 VanDerWaalsContact CA-O 3.29Å; A58-Y62 WeakPolarHBondContact CA-O 3.44Å; A60-Y62 HydrophobicContact CB-CD2 3.79Å; A60-Y62 HydrophobicContact CB-CE2 3.67Å; Y62-A64 PolarHBondContact O-N 3.01Å
63R98.1Very high98Very high27 Ų2731.9 Ų31.910%0.10217%0.172CC..EExtended strand (participates in β ladder)trans-81.3106.2167.6172.2178.5-176.5-153.8-5.7108.3E22 R24 V31 F33 S34 V35 V65 L100 E101E22-R63 IonicContact OE1-CZ 2.76Å; E22-R63 IonicContact OE1-NE 2.7Å; E22-R63 PolarHBondContact OE1-NE 3.34Å; E22-R63 IonicContact OE1-NH2 3.19Å; E22-R63 PolarHBondContact OE1-NH2 3.32Å; R24-R63 HydrophobicContact CG-CG 4.27Å; R24-R63 VanDerWaalsContact NH2-CZ 3.32Å; V31-R63 HydrophobicContact CG1-CB 3.64Å; F33-R63 PolarHBondContact O-N 2.87Å; F33-R63 VanDerWaalsContact O-N 3.12Å; S34-R63 CarbonylContact C-O 3.31Å; S34-R63 VanDerWaalsContact CA-O 3.28Å; S34-R63 WeakPolarHBondContact CA-O 3.48Å; V35-R63 PolarHBondContact N-O 3.44Å; R63-V65 HydrophobicContact CG-CG2 4.12Å; R63-L100 VanDerWaalsContact CZ-O 3.3Å; R63-L100 PolarHBondContact NH1-O 2.91Å; R63-L100 PolarHBondContact NH2-O 3.01Å; R63-E101 PolarHBondContact NH1-O 2.88Å
64A98.7Very high98Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-95.9123.7-178.300000110.2E22 T23 L37 L54 L57 Y62E22-A64 CarbonylContact C-O 3.58Å; E22-A64 VanDerWaalsContact CA-O 3.3Å; E22-A64 WeakPolarHBondContact CA-O 3.45Å; T23-A64 PolarHBondContact N-O 2.93Å; T23-A64 PolarHBondContact O-N 2.98Å; L37-A64 HydrophobicContact CD1-CB 4.32Å; L54-A64 HydrophobicContact CB-CB 4.33Å; L54-A64 HydrophobicContact CD2-CB 3.8Å; L57-A64 HydrophobicContact CB-CB 3.76Å; L57-A64 HydrophobicContact CD1-CB 3.94Å; Y62-A64 PolarHBondContact O-N 3.01Å
65V98.8Very high98Very high0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-129.6121.3179.4-176.30000109.4F20 R21 E22 V35 L36 L37 R63 L100 L102F20-V65 HydrophobicContact CB-CG1 4.37Å; F20-V65 HydrophobicContact CD2-CG1 4.03Å; R21-V65 CarbonylContact O-C 3.54Å; R21-V65 WeakPolarHBondContact O-CA 3.47Å; E22-V65 HydrophobicContact CB-CG2 4.24Å; E22-V65 HydrophobicContact CG-CG2 3.94Å; E22-V65 WeakPolarHBondContact OE1-CG2 3.1Å; V35-V65 PolarHBondContact O-N 2.84Å; L36-V65 CarbonylContact C-O 3.56Å; L36-V65 WeakPolarHBondContact CA-O 3.44Å; L37-V65 WeakPolarHBondContact CD1-O 3.34Å; L37-V65 PolarHBondContact N-O 3.44Å; R63-V65 HydrophobicContact CG-CG2 4.12Å; V65-L100 HydrophobicContact CG1-CD1 3.87Å; V65-L102 HydrophobicContact CB-CD2 4.44Å; V65-L102 HydrophobicContact CG2-CD2 3.85Å
66A98.9Very high97.9Very high0 Ų041.1 Ų41.10%021%0.205CC..EExtended strand (participates in β ladder)trans-110.9128.2171.900000110F20 R21 L37 S45 W48 L54F20-A66 CarbonylContact C-O 3.57Å; F20-A66 VanDerWaalsContact CA-O 3.25Å; F20-A66 WeakPolarHBondContact CA-O 3.48Å; R21-A66 PolarHBondContact N-O 3.44Å; R21-A66 PolarHBondContact O-N 3.22Å; L37-A66 HydrophobicContact CB-CB 4.02Å; L37-A66 WeakPolarHBondContact O-CA 3.43Å; S45-A66 WeakPolarHBondContact CB-O 3.46Å; W48-A66 HydrophobicContact CB-CB 4.4Å; L54-A66 HydrophobicContact CD1-CB 4.38Å; L54-A66 HydrophobicContact CD2-CB 3.99Å
67I98.9Very high97.9Very high0 Ų041.7 Ų41.70%022%0.215CC..EExtended strand (participates in β ladder)trans-102.4153.9175.967.3173.2000110.5F19 F20 L36 L37 L38 H39 L69 L93 V96 L100F19-I67 WeakPolarHBondContact O-CA 3.25Å; F20-I67 HydrophobicContact CB-CG2 3.97Å; L36-I67 HydrophobicContact CD1-CG2 4.02Å; L37-I67 PolarHBondContact O-N 3.12Å; L38-I67 HydrophobicContact CD2-CD1 3.73Å; L38-I67 HydrophobicContact CD2-CG1 3.82Å; H39-I67 PolarHBondContact CD2-O 3.33Å; H39-I67 VanDerWaalsContact CD2-O 3.25Å; I67-L69 HydrophobicContact CD1-CD2 4.15Å; I67-L93 HydrophobicContact CD1-CD2 4.35Å; I67-V96 HydrophobicContact CD1-CG1 4.13Å; I67-V96 HydrophobicContact CD1-CG2 4.28Å; I67-V96 HydrophobicContact CG2-CG1 4.18Å; I67-L100 HydrophobicContact CG2-CD1 4.21Å
68D98.9Very high97.9Very high2 Ų240.3 Ų40.31%0.01121%0.209CC..PPolyproline II helixtrans-90.9118.1162.9-72.5-3.3000108.7F19 S44 S45 G73 R74 S75F19-D68 HydrophobicContact CB-CB 4.33Å; F19-D68 HydrophobicContact CD1-CB 4.5Å; F19-D68 WeakPolarHBondContact CD1-OD2 3.34Å; F19-D68 PolarHBondContact O-N 3.06Å; S44-D68 WeakPolarHBondContact CB-OD1 3.4Å; S45-D68 WeakPolarHBondContact CB-OD1 3.46Å; S45-D68 PolarHBondContact N-OD1 3.32Å; S45-D68 PolarHBondContact OG-OD1 3.42Å; D68-G73 WeakPolarHBondContact OD2-CA 3.46Å; D68-R74 PolarHBondContact OD2-N 3.19Å; D68-S75 WeakPolarHBondContact CB-OG 3.4Å; D68-S75 VanDerWaalsContact O-CB 3.29Å; D68-S75 WeakPolarHBondContact O-CB 3.39Å; D68-S75 PolarHBondContact O-OG 2.92Å
69L98.8Very high97.9Very high0 Ų043.1 Ų43.10%023%0.232CC..PPolyproline II helixtrans-63153.5179.1-70.5171.6000111.3L38 H39 I67 G71 L72 F92 Y116L38-L69 HydrophobicContact CD2-CD2 4.43Å; H39-L69 PolarHBondContact NE2-N 3.39Å; I67-L69 HydrophobicContact CD1-CD2 4.15Å; L69-G71 PolarHBondContact O-N 2.8Å; L69-L72 HydrophobicContact CB-CD1 4.46Å; L69-L72 PolarHBondContact O-N 3.4Å; L69-F92 HydrophobicContact CD2-CE1 4.5Å; L69-Y116 HydrophobicContact CD1-CD2 4.04Å; L69-Y116 HydrophobicContact CD1-CE2 3.98Å; L69-Y116 HydrophobicContact CD2-CD1 4.41Å; L69-Y116 HydrophobicContact CD2-CD2 3.93Å; L69-Y116 HydrophobicContact CD2-CE1 4.49Å; L69-Y116 HydrophobicContact CD2-CE2 4.05Å; L69-Y116 HydrophobicContact CD2-CG 4.13Å; L69-Y116 HydrophobicContact CG-CE2 4.45Å
70P98.6Very high98Very high6 Ų640.8 Ų40.84%0.03923%0.23CC..THydrogen-bonded Turntrans-51.7133.9-178.3-25.632.2000113.2L18 L72 A78 A80 F92L18-P70 HydrophobicContact CD2-CG 4Å; P70-L72 PolarHBondContact O-N 2.59Å; P70-A78 CarbonylContact C-O 3.41Å; P70-A78 HydrophobicContact CB-CB 4.02Å; P70-A80 HydrophobicContact CB-CB 4.33Å; P70-F92 HydrophobicContact CG-CE1 4.48Å; P70-F92 HydrophobicContact CG-CE2 3.93Å; P70-F92 HydrophobicContact CG-CZ 3.56Å
71G97.9Very high98Very high37 Ų3740.4 Ų40.438%0.38122%0.223SC..THydrogen-bonded Turntrans81.6-2.3179.100000114.2L69 S75 A78L69-G71 PolarHBondContact O-N 2.8Å; G71-S75 PolarHBondContact N-O 2.82Å; G71-A78 WeakPolarHBondContact CA-O 3.36Å; G71-A78 PolarHBondContact N-O 3.27Å
72L98.4Very high98Very high39 Ų3940.6 Ų40.620%0.20422%0.223CC..SBendtrans-125.1162.7-174.6-58.4175.3000111.8I41 L69 P70 R74 S75 L112I41-L72 HydrophobicContact CG1-CD1 4.38Å; I41-L72 HydrophobicContact CG1-CD2 4.29Å; L69-L72 HydrophobicContact CB-CD1 4.46Å; L69-L72 PolarHBondContact O-N 3.4Å; P70-L72 PolarHBondContact O-N 2.59Å; L72-R74 PolarHBondContact O-N 3.04Å; L72-S75 CarbonylContact O-C 3.57Å; L72-S75 WeakPolarHBondContact O-CA 3.27Å; L72-S75 PolarHBondContact O-N 2.89Å; L72-L112 HydrophobicContact CD1-CD2 3.49Å; L72-L112 VanDerWaalsContact CD1-CD2 3.49Å
73G97.9Very high98Very high27 Ų2742 Ų4228%0.27824%0.238SC..THydrogen-bonded Turntrans55.9-123.8177.300000113D68 K76D68-G73 WeakPolarHBondContact OD2-CA 3.46Å; G73-K76 WeakPolarHBondContact O-CE 3.33Å; G73-K76 VanDerWaalsContact O-CG 3.3Å; G73-K76 WeakPolarHBondContact O-CG 3.27Å
74R98.5Very high98Very high150 Ų15046.5 Ų46.557%0.56626%0.263SS*.THydrogen-bonded Turntrans-95.22.4173.9-65.1177.870.9177.60.4113E8 F19 D68 L72E8-R74 IonicContact OE2-CZ 3.56Å; E8-R74 IonicContact OE2-NH1 3.03Å; E8-R74 PolarHBondContact OE2-NH1 2.81Å; F19-R74 HydrophobicContact CB-CB 3.62Å; F19-R74 HydrophobicContact CD1-CB 3.77Å; F19-R74 HydrophobicContact CD1-CG 4.23Å; F19-R74 HydrophobicContact CD2-CB 4.09Å; F19-R74 HydrophobicContact CE1-CB 4.48Å; F19-R74 HydrophobicContact CE1-CG 4.49Å; F19-R74 HydrophobicContact CG-CB 3.53Å; F19-R74 HydrophobicContact CG-CG 4.33Å; D68-R74 PolarHBondContact OD2-N 3.19Å; L72-R74 PolarHBondContact O-N 3.04Å
75S98.3Very high97.7Very high3 Ų348 Ų482%0.02128%0.278CS..  trans-99.127.7173-57.40000113L18 F19 D68 G71 L72 E77 A78L18-S75 WeakPolarHBondContact CA-OG 3.5Å; F19-S75 PolarHBondContact N-OG 3.12Å; D68-S75 WeakPolarHBondContact CB-OG 3.4Å; D68-S75 VanDerWaalsContact O-CB 3.29Å; D68-S75 WeakPolarHBondContact O-CB 3.39Å; D68-S75 PolarHBondContact O-OG 2.92Å; G71-S75 PolarHBondContact N-O 2.82Å; L72-S75 CarbonylContact O-C 3.57Å; L72-S75 WeakPolarHBondContact O-CA 3.27Å; L72-S75 PolarHBondContact O-N 2.89Å; S75-E77 VanDerWaalsContact C-N 3.26Å; S75-E77 PolarHBondContact O-N 2.89Å; S75-A78 WeakPolarHBondContact O-CB 3.38Å; S75-A78 PolarHBondContact O-N 2.81Å
76K96.2Very high97.7Very high149 Ų14953.3 Ų53.365%0.64830%0.303SS*.THydrogen-bonded Turntrans-58.2-33.2-173.8-71.6174.8-179.9-179.20114.6G73 A78G73-K76 WeakPolarHBondContact O-CE 3.33Å; G73-K76 VanDerWaalsContact O-CG 3.3Å; G73-K76 WeakPolarHBondContact O-CG 3.27Å; K76-A78 VanDerWaalsContact C-N 3.29Å; K76-A78 PolarHBondContact O-N 2.82Å
77E97.1Very high97.6Very high190 Ų19056 Ų5689%0.88832%0.32SS*.THydrogen-bonded Turntrans-78.5-13.4-179.2-56.5-56137.700113S75S75-E77 VanDerWaalsContact C-N 3.26Å; S75-E77 PolarHBondContact O-N 2.89Å
78A97.7Very high97.6Very high5 Ų556.1 Ų56.14%0.04132%0.322CS..SBendtrans-80126.2175.700000110Q16 L18 P70 G71 S75 K76Q16-A78 HydrophobicContact CB-CB 4.14Å; L18-A78 HydrophobicContact CD2-CB 3.72Å; P70-A78 CarbonylContact C-O 3.41Å; P70-A78 HydrophobicContact CB-CB 4.02Å; G71-A78 WeakPolarHBondContact CA-O 3.36Å; G71-A78 PolarHBondContact N-O 3.27Å; S75-A78 WeakPolarHBondContact O-CB 3.38Å; S75-A78 PolarHBondContact O-N 2.81Å; K76-A78 VanDerWaalsContact C-N 3.29Å; K76-A78 PolarHBondContact O-N 2.82Å
79A97.7Very high97.5Very high60 Ų6058.9 Ų58.950%0.49634%0.34SS..PPolyproline II helixtrans-75.4137.1173.300000111.1Q16Q16-A79 PolarHBondContact NE2-O 2.89Å; Q16-A79 PolarHBondContact OE1-O 2.93Å; Q16-A79 VanDerWaalsContact OE1-O 3.11Å
80A96.8Very high97.4Very high50 Ų5059.6 Ų59.641%0.41335%0.347SS..PPolyproline II helixtrans-65.4139.417400000111.2P70 A82P70-A80 HydrophobicContact CB-CB 4.33Å; A80-A82 PolarHBondContact O-N 3.01Å
81P96.6Very high97.3Very high45 Ų4562.6 Ų62.629%0.29237%0.368SS..SBendtrans-75.2-7-179.233.1-38.4000113.4A88 F92 Y116P81-A88 HydrophobicContact CG-CB 3.89Å; P81-F92 HydrophobicContact CG-CD2 4.13Å; P81-F92 HydrophobicContact CG-CG 4.31Å; P81-Y116 HydrophobicContact CG-CD1 4.47Å; P81-Y116 HydrophobicContact CG-CE1 3.79Å
82A97.7Very high97.3Very high15 Ų1561 Ų6112%0.12435%0.35CS..SBendtrans-152.7155.5173.600000110.4A80 E86 A88 M115A80-A82 PolarHBondContact O-N 3.01Å; A82-E86 HydrophobicContact CB-CB 4.49Å; A82-A88 HydrophobicContact CB-CB 4.24Å; A82-M115 HydrophobicContact CB-CE 4.28Å
83P97.8Very high97.3Very high77 Ų7759.1 Ų59.150%0.534%0.341SS..  trans-62154.4170.7-20.733.2000112.9G85 E86 M115P83-G85 PolarHBondContact O-N 3.05Å; P83-E86 PolarHBondContact O-N 3.3Å; P83-E86 VanDerWaalsContact O-N 3.11Å; P83-M115 WeakPolarHBondContact O-CE 3.41Å
84I97.1Very high97.3Very high122 Ų12259.2 Ų59.263%0.62634%0.339SS*.THydrogen-bonded Turntrans-60.1128.8175.6-62.3174.9000109.8I41 L112I41-I84 HydrophobicContact CD1-CD1 3.77Å; I84-L112 HydrophobicContact CG1-CD1 4.31Å; I84-L112 HydrophobicContact CG2-CD1 3.99Å
85G93.7Very high97.3Very high31 Ų3153.2 Ų53.232%0.3232%0.321SS..THydrogen-bonded Turntrans96.3-9.9-178.900000114.1P83 C138P83-G85 PolarHBondContact O-N 3.05Å; G85-C138 VanDerWaalsContact C-SG 3.53Å; G85-C138 PolarHBondContact O-SG 3.5Å
86E97.8Very high97.3Very high111 Ų11153 Ų5352%0.51932%0.32SS..SBendtrans-104.2140.3173.2-66.8-177.2-160.100111A82 P83 A88 M115A82-E86 HydrophobicContact CB-CB 4.49Å; P83-E86 PolarHBondContact O-N 3.3Å; P83-E86 VanDerWaalsContact O-N 3.11Å; E86-A88 PolarHBondContact O-N 3.42Å; E86-M115 WeakPolarHBondContact O-CE 3.33Å
87P97.9Very high97.4Very high56 Ų5646.5 Ų46.536%0.36429%0.293SS..PPolyproline II helixtrans-63.3126.9177-1729.6000111.5P119 K141P87-P119 HydrophobicContact CB-CG 3.53Å; P87-K141 HydrophobicContact CG-CB 3.67Å; P87-K141 HydrophobicContact CG-CG 4.06Å
88A98.1Very high97.4Very high3 Ų343 Ų433%0.02528%0.281CS..PPolyproline II helixtrans-70.3159171.500000111P81 A82 E86 G90 M115 Y116 P119P81-A88 HydrophobicContact CG-CB 3.89Å; A82-A88 HydrophobicContact CB-CB 4.24Å; E86-A88 PolarHBondContact O-N 3.42Å; A88-G90 PolarHBondContact O-N 3.09Å; A88-M115 WeakPolarHBondContact CB-O 3.44Å; A88-M115 PolarHBondContact N-O 3.5Å; A88-Y116 HydrophobicContact CB-CD1 3.72Å; A88-Y116 HydrophobicContact CB-CE1 4.02Å; A88-Y116 HydrophobicContact CB-CG 4.32Å; A88-P119 WeakPolarHBondContact O-CB 3.4Å; A88-P119 WeakPolarHBondContact O-CG 3.28Å
89P97.7Very high97.4Very high61 Ų6145.9 Ų45.940%0.39630%0.298SS..PPolyproline II helixtrans-57.1124.9171.4-23.534.3000111.1S91 F92P89-S91 PolarHBondContact O-N 2.82Å; P89-S91 VanDerWaalsContact O-N 3.08Å; P89-F92 VanDerWaalsContact O-CB 3.22Å; P89-F92 WeakPolarHBondContact O-CB 3.3Å; P89-F92 PolarHBondContact O-N 2.88Å
90G96.3Very high97.4Very high14 Ų1443.6 Ų43.614%0.14428%0.277CS..THydrogen-bonded Turntrans-58.9-23.5178.400000113.6A88 F92 L93 A94A88-G90 PolarHBondContact O-N 3.09Å; G90-F92 PolarHBondContact O-N 3.38Å; G90-L93 PolarHBondContact O-N 3.45Å; G90-A94 PolarHBondContact O-N 2.97Å
91S97Very high97.4Very high69 Ų6948.9 Ų48.948%0.48329%0.293SS..Hα-helixtrans-63-18.1172.858.50000113.9Q14 P89 A95Q14-S91 PolarHBondContact NE2-O 2.99Å; P89-S91 PolarHBondContact O-N 2.82Å; P89-S91 VanDerWaalsContact O-N 3.08Å; S91-A95 WeakPolarHBondContact O-CB 3.18Å; S91-A95 PolarHBondContact O-N 3.04Å
92F98.1Very high97.5Very high3 Ų347.1 Ų47.11%0.01328%0.281CS..Hα-helixtrans-63.2-54.2176.2176.3-96.5000111.6V13 L18 L69 P70 P81 P89 G90 A94 A95 V96 Y116V13-F92 HydrophobicContact CG1-CD2 4.2Å; V13-F92 HydrophobicContact CG1-CE2 4.06Å; L18-F92 HydrophobicContact CD1-CE2 4.07Å; L18-F92 HydrophobicContact CD1-CZ 3.6Å; L69-F92 HydrophobicContact CD2-CE1 4.5Å; P70-F92 HydrophobicContact CG-CE1 4.48Å; P70-F92 HydrophobicContact CG-CE2 3.93Å; P70-F92 HydrophobicContact CG-CZ 3.56Å; P81-F92 HydrophobicContact CG-CD2 4.13Å; P81-F92 HydrophobicContact CG-CG 4.31Å; P89-F92 VanDerWaalsContact O-CB 3.22Å; P89-F92 WeakPolarHBondContact O-CB 3.3Å; P89-F92 PolarHBondContact O-N 2.88Å; G90-F92 PolarHBondContact O-N 3.38Å; F92-A94 VanDerWaalsContact C-N 3.33Å; F92-A95 PolarHBondContact O-N 3.31Å; F92-V96 HydrophobicContact CE1-CG2 4.2Å; F92-V96 HydrophobicContact CZ-CG2 4.41Å; F92-V96 WeakPolarHBondContact O-CG2 3.39Å; F92-V96 PolarHBondContact O-N 2.9Å; F92-V96 VanDerWaalsContact O-N 3.07Å; F92-Y116 AromaticContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CE1 4.03Å; F92-Y116 AromaticContact CE1-CD1 3.69Å; F92-Y116 HydrophobicContact CE1-CD1 3.69Å; F92-Y116 AromaticContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CG-CD1 4.31Å; F92-Y116 HydrophobicContact CZ-CE1 4.41Å
93L98.2Very high97.4Very high0 Ų048.3 Ų48.30%030%0.295CS..Hα-helixtrans-72.5-28.6178.5-70.8-175.8000112.3L38 I67 G90 A95 V96 V97 Y116 F120L38-L93 HydrophobicContact CD1-CD1 3.86Å; L38-L93 HydrophobicContact CD1-CD2 4.47Å; L38-L93 HydrophobicContact CD2-CD2 4.11Å; I67-L93 HydrophobicContact CD1-CD2 4.35Å; G90-L93 PolarHBondContact O-N 3.45Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 2.79Å; L93-V96 HydrophobicContact CD2-CG2 4.3Å; L93-V96 WeakPolarHBondContact O-CB 3.41Å; L93-V96 PolarHBondContact O-N 2.89Å; L93-V97 WeakPolarHBondContact O-CB 3.28Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.4Å; L93-V97 PolarHBondContact O-N 3.46Å; L93-Y116 WeakPolarHBondContact CD1-O 3.35Å; L93-F120 HydrophobicContact CB-CB 3.91Å; L93-F120 HydrophobicContact CB-CD1 3.55Å; L93-F120 HydrophobicContact CB-CD2 4.21Å; L93-F120 HydrophobicContact CB-CE1 4.03Å; L93-F120 HydrophobicContact CB-CG 3.64Å; L93-F120 HydrophobicContact CD1-CB 4.03Å; L93-F120 HydrophobicContact CD1-CD1 3.87Å; L93-F120 HydrophobicContact CD1-CG 4.28Å; L93-F120 HydrophobicContact CG-CB 4.46Å; L93-F120 HydrophobicContact CG-CD1 4.39Å
94A97.9Very high97.4Very high30 Ų3047.5 Ų47.525%0.24829%0.289CS..Hα-helixtrans-57.3-48.3168.900000110.8G90 F92 V96 V97 D98 F120G90-A94 PolarHBondContact O-N 2.97Å; F92-A94 VanDerWaalsContact C-N 3.33Å; A94-V96 VanDerWaalsContact C-N 3.34Å; A94-V96 PolarHBondContact O-N 2.86Å; A94-V97 PolarHBondContact O-N 3.03Å; A94-D98 VanDerWaalsContact O-CG 3.29Å; A94-D98 PolarHBondContact O-N 3.1Å; A94-F120 HydrophobicContact CB-CD2 4.29Å; A94-F120 HydrophobicContact CB-CE2 3.92Å
95A97.8Very high97.5Very high23 Ų2341.7 Ų41.719%0.1926%0.26CS..Hα-helixtrans-63.9-35.1177.100000113.3V13 Q14 S91 F92 L93 T99V13-A95 HydrophobicContact CG1-CB 3.91Å; Q14-A95 HydrophobicContact CG-CB 4.33Å; S91-A95 WeakPolarHBondContact O-CB 3.18Å; S91-A95 PolarHBondContact O-N 3.04Å; F92-A95 PolarHBondContact O-N 3.31Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 2.79Å; A95-T99 VanDerWaalsContact O-CB 3.24Å; A95-T99 WeakPolarHBondContact O-CB 3.41Å; A95-T99 PolarHBondContact O-N 3.33Å; A95-T99 PolarHBondContact O-OG1 2.92Å
96V98.3Very high97.7Very high0 Ų041.3 Ų41.30%025%0.251CS..Hα-helixtrans-61.4-50.1171.7171.50000110.7I11 V13 L18 L36 I67 F92 L93 A94 D98 T99 L100I11-V96 HydrophobicContact CD1-CG1 4.36Å; V13-V96 HydrophobicContact CG1-CG2 4.03Å; V13-V96 HydrophobicContact CG2-CG2 3.97Å; L18-V96 HydrophobicContact CD1-CG2 4.24Å; L36-V96 HydrophobicContact CD2-CG1 4.42Å; I67-V96 HydrophobicContact CD1-CG1 4.13Å; I67-V96 HydrophobicContact CD1-CG2 4.28Å; I67-V96 HydrophobicContact CG2-CG1 4.18Å; F92-V96 HydrophobicContact CE1-CG2 4.2Å; F92-V96 HydrophobicContact CZ-CG2 4.41Å; F92-V96 WeakPolarHBondContact O-CG2 3.39Å; F92-V96 PolarHBondContact O-N 2.9Å; F92-V96 VanDerWaalsContact O-N 3.07Å; L93-V96 HydrophobicContact CD2-CG2 4.3Å; L93-V96 WeakPolarHBondContact O-CB 3.41Å; L93-V96 PolarHBondContact O-N 2.89Å; A94-V96 VanDerWaalsContact C-N 3.34Å; A94-V96 PolarHBondContact O-N 2.86Å; V96-D98 VanDerWaalsContact C-N 3.32Å; V96-D98 PolarHBondContact O-N 3.36Å; V96-T99 PolarHBondContact O-N 3.04Å; V96-L100 HydrophobicContact CG1-CD1 3.78Å; V96-L100 WeakPolarHBondContact O-CB 3.19Å; V96-L100 PolarHBondContact O-N 3.38Å
97V98.2Very high97.8Very high11 Ų1136 Ų367%0.06723%0.226CC..Hα-helixtrans-60.5-43.1-178.7164.80000111.2L36 L93 A94 E101 L102 G103 P105 F120L36-V97 HydrophobicContact CD2-CG2 4.15Å; L93-V97 WeakPolarHBondContact O-CB 3.28Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.4Å; L93-V97 PolarHBondContact O-N 3.46Å; A94-V97 PolarHBondContact O-N 3.03Å; V97-E101 PolarHBondContact O-N 3.25Å; V97-E101 VanDerWaalsContact O-N 3.1Å; V97-L102 HydrophobicContact CG1-CB 4.25Å; V97-L102 HydrophobicContact CG2-CD1 4.31Å; V97-L102 PolarHBondContact O-N 2.72Å; V97-G103 WeakPolarHBondContact CG1-O 3.44Å; V97-P105 HydrophobicContact CG1-CG 4.42Å; V97-P105 HydrophobicContact CG2-CG 3.86Å; V97-F120 HydrophobicContact CG2-CE1 4.14Å; V97-F120 HydrophobicContact CG2-CZ 4.02Å
98D97.4Very high97.8Very high118 Ų11834.5 Ų34.563%0.63122%0.215SC*.Hα-helixtrans-67.4-47.1178.3-69.3-18.2000111.4A94 V96 L100 E101A94-D98 VanDerWaalsContact O-CG 3.29Å; A94-D98 PolarHBondContact O-N 3.1Å; V96-D98 VanDerWaalsContact C-N 3.32Å; V96-D98 PolarHBondContact O-N 3.36Å; D98-L100 VanDerWaalsContact C-N 3.28Å; D98-L100 PolarHBondContact O-N 2.95Å; D98-E101 PolarHBondContact O-N 2.76Å
99T97.9Very high97.9Very high65 Ų6534.3 Ų34.340%0.39921%0.214SC..Hα-helixtrans-64.7-33.2-177.9-56.10000112.5I11 A95 V96 E101I11-T99 HydrophobicContact CB-CG2 3.85Å; I11-T99 HydrophobicContact CG2-CG2 4.11Å; A95-T99 VanDerWaalsContact O-CB 3.24Å; A95-T99 WeakPolarHBondContact O-CB 3.41Å; A95-T99 PolarHBondContact O-N 3.33Å; A95-T99 PolarHBondContact O-OG1 2.92Å; V96-T99 PolarHBondContact O-N 3.04Å; T99-E101 VanDerWaalsContact C-N 3.34Å
100L97.4Very high97.9Very high11 Ų1131.5 Ų31.56%0.05820%0.195CC..THydrogen-bonded Turntrans-89.3-2.1176.4-73166.1000113.1I11 F20 R63 V65 I67 V96 D98 L102I11-L100 HydrophobicContact CD1-CD1 3.77Å; I11-L100 HydrophobicContact CD1-CD2 4.1Å; I11-L100 HydrophobicContact CD1-CG 3.68Å; I11-L100 HydrophobicContact CG2-CD2 3.58Å; I11-L100 HydrophobicContact CG2-CG 4.15Å; F20-L100 HydrophobicContact CD1-CD2 4.14Å; F20-L100 HydrophobicContact CD2-CD2 4.17Å; F20-L100 HydrophobicContact CE1-CD2 4.11Å; F20-L100 HydrophobicContact CE2-CD2 4.13Å; F20-L100 HydrophobicContact CG-CD2 4.18Å; F20-L100 HydrophobicContact CZ-CD2 4.1Å; R63-L100 VanDerWaalsContact CZ-O 3.3Å; R63-L100 PolarHBondContact NH1-O 2.91Å; R63-L100 PolarHBondContact NH2-O 3.01Å; V65-L100 HydrophobicContact CG1-CD1 3.87Å; I67-L100 HydrophobicContact CG2-CD1 4.21Å; V96-L100 HydrophobicContact CG1-CD1 3.78Å; V96-L100 WeakPolarHBondContact O-CB 3.19Å; V96-L100 PolarHBondContact O-N 3.38Å; D98-L100 VanDerWaalsContact C-N 3.28Å; D98-L100 PolarHBondContact O-N 2.95Å; L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 HydrophobicContact CB-CD1 4.19Å; L100-L102 HydrophobicContact CB-CD2 3.65Å; L100-L102 HydrophobicContact CB-CG 3.63Å; L100-L102 HydrophobicContact CD1-CD1 4.21Å; L100-L102 PolarHBondContact O-N 2.89Å
101E97.3Very high98Very high162 Ų16231.6 Ų31.676%0.75719%0.194SC*.THydrogen-bonded Turntrans51.547.4-177.6-57.8178.5177.600111.9R63 V97 D98 T99 G103R63-E101 PolarHBondContact NH1-O 2.88Å; V97-E101 PolarHBondContact O-N 3.25Å; V97-E101 VanDerWaalsContact O-N 3.1Å; D98-E101 PolarHBondContact O-N 2.76Å; T99-E101 VanDerWaalsContact C-N 3.34Å; E101-G103 VanDerWaalsContact C-N 3.29Å; E101-G103 PolarHBondContact O-N 2.86Å
102L97.2Very high98.1Very high8 Ų828.9 Ų28.94%0.04217%0.174CC..  trans-77.1-16.9-173.3-58.3-176.8000113.2S34 L36 V65 V97 L100 P105S34-L102 VanDerWaalsContact CB-O 3.31Å; S34-L102 WeakPolarHBondContact CB-O 3.35Å; S34-L102 PolarHBondContact OG-O 2.85Å; L36-L102 HydrophobicContact CB-CD1 4.18Å; L36-L102 HydrophobicContact CD1-CD1 4.25Å; L36-L102 HydrophobicContact CD2-CD1 4.49Å; V65-L102 HydrophobicContact CB-CD2 4.44Å; V65-L102 HydrophobicContact CG2-CD2 3.85Å; V97-L102 HydrophobicContact CG1-CB 4.25Å; V97-L102 HydrophobicContact CG2-CD1 4.31Å; V97-L102 PolarHBondContact O-N 2.72Å; L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 HydrophobicContact CB-CD1 4.19Å; L100-L102 HydrophobicContact CB-CD2 3.65Å; L100-L102 HydrophobicContact CB-CG 3.63Å; L100-L102 HydrophobicContact CD1-CD1 4.21Å; L100-L102 PolarHBondContact O-N 2.89Å; L102-P105 HydrophobicContact CB-CB 4.44Å
103G96.8Very high98.1Very high40 Ų4028.8 Ų28.841%0.41217%0.173SC..  trans58.9-163.5-162.200000111.2V97 E101 P105V97-G103 WeakPolarHBondContact CG1-O 3.44Å; E101-G103 VanDerWaalsContact C-N 3.29Å; E101-G103 PolarHBondContact O-N 2.86Å; G103-P105 WeakPolarHBondContact O-CD 3.42Å
104P97.4Very high98.1Very high59 Ų5928.8 Ų28.838%0.38317%0.173SC..SBendtrans-61.2100.4173.4-29.639.9000112.6Q127 R129P104-Q127 VanDerWaalsContact CA-O 3.28Å; P104-Q127 WeakPolarHBondContact CA-O 3.48Å; P104-Q127 HydrophobicContact CB-CB 4.49Å; P104-Q127 WeakPolarHBondContact CB-O 3.3Å; P104-Q127 HydrophobicContact CG-CB 4.37Å; P104-R129 WeakPolarHBondContact O-CB 3.5Å
105P98.6Very high98.2Very high1 Ų127.4 Ų27.41%0.00616%0.162CC..  trans-90.9165.2-173.134.8-24.5000111.3S34 L36 V97 L102 G103 V107 L128 R129S34-P105 CarbonylContact O-C 3.57Å; S34-P105 VanDerWaalsContact O-CA 3.28Å; S34-P105 WeakPolarHBondContact O-CA 3.46Å; L36-P105 HydrophobicContact CB-CB 4.43Å; V97-P105 HydrophobicContact CG1-CG 4.42Å; V97-P105 HydrophobicContact CG2-CG 3.86Å; L102-P105 HydrophobicContact CB-CB 4.44Å; G103-P105 WeakPolarHBondContact O-CD 3.42Å; P105-V107 HydrophobicContact CG-CG2 4.25Å; P105-L128 HydrophobicContact CG-CD2 4Å; P105-R129 PolarHBondContact O-N 2.97Å
106V98.9Very high98.2Very high22 Ų2226.7 Ų26.713%0.13315%0.154CC..EExtended strand (participates in β ladder)trans-83.1133.9153.8174.50000108F33 S34 V35 L36 R129 G130 V132F33-V106 HydrophobicContact CD2-CG2 4.16Å; F33-V106 HydrophobicContact CE2-CG2 3.65Å; F33-V106 HydrophobicContact CZ-CG2 4.46Å; S34-V106 PolarHBondContact O-N 3.14Å; V35-V106 CarbonylContact C-O 3.55Å; V35-V106 WeakPolarHBondContact CA-O 3.28Å; V35-V106 HydrophobicContact CG1-CB 4.4Å; V35-V106 HydrophobicContact CG1-CG1 4.48Å; V35-V106 HydrophobicContact CG2-CB 4.32Å; L36-V106 PolarHBondContact N-O 2.71Å; V106-R129 HydrophobicContact CG2-CB 4.19Å; V106-R129 HydrophobicContact CG2-CG 4.25Å; V106-G130 VanDerWaalsContact CA-O 3.3Å; V106-G130 WeakPolarHBondContact CA-O 3.18Å; V106-V132 HydrophobicContact CG1-CG2 4.09Å
107V98.9Very high98.2Very high0 Ų026.7 Ų26.70%015%0.154CC..EExtended strand (participates in β ladder)trans-108.4123.2177.2176.20000110.3L36 L38 P105 F120 L128 G130 F131 V132L36-V107 HydrophobicContact CB-CG2 4.4Å; L36-V107 HydrophobicContact CD2-CG2 4.41Å; L36-V107 WeakPolarHBondContact O-CA 3.38Å; L38-V107 HydrophobicContact CD1-CG1 4.08Å; L38-V107 HydrophobicContact CG-CG1 4.39Å; P105-V107 HydrophobicContact CG-CG2 4.25Å; V107-F120 HydrophobicContact CG2-CE1 4.29Å; V107-L128 HydrophobicContact CB-CD1 4.39Å; V107-L128 HydrophobicContact CG2-CD1 4.07Å; V107-L128 HydrophobicContact CG2-CD2 3.61Å; V107-G130 PolarHBondContact N-O 3.23Å; V107-F131 HydrophobicContact CB-CD2 4.26Å; V107-F131 HydrophobicContact CG1-CD2 4.43Å; V107-F131 HydrophobicContact CG1-CE2 4.42Å; V107-V132 PolarHBondContact O-N 2.92Å
108I98.9Very high98.3Very high24 Ų2426.2 Ų26.212%0.12315%0.151CC..EExtended strand (participates in β ladder)trans-99.5120.5171-54.1-173.5000108.3V35 L36 L37 L38 W48 V132V35-I108 HydrophobicContact CG1-CD1 3.83Å; V35-I108 HydrophobicContact CG1-CG1 3.95Å; L36-I108 PolarHBondContact O-N 3.26Å; L37-I108 HydrophobicContact CD2-CD1 4.18Å; L37-I108 HydrophobicContact CG-CB 4.44Å; L37-I108 HydrophobicContact CG-CD1 4.15Å; L38-I108 WeakPolarHBondContact CB-O 3.22Å; L38-I108 PolarHBondContact N-O 3.01Å; W48-I108 HydrophobicContact CH2-CG2 4.31Å; W48-I108 HydrophobicContact CZ2-CG2 4.26Å; I108-V132 WeakPolarHBondContact CA-O 3.23Å; I108-V132 HydrophobicContact CB-CB 4.48Å; I108-V132 HydrophobicContact CG1-CB 4.11Å; I108-V132 HydrophobicContact CG1-CG2 4.36Å; I108-V132 HydrophobicContact CG2-CB 4.47Å
109S98.9Very high98.3Very high0 Ų021.4 Ų21.40%013%0.126CC..EExtended strand (participates in β ladder)trans-134.591.3-169.7-174.60000112.6S113 G114 S117 V132 P133 V134S109-S113 VanDerWaalsContact CA-OG 3.24Å; S109-S113 WeakPolarHBondContact CA-OG 3.46Å; S109-S113 VanDerWaalsContact OG-C 3.3Å; S109-S113 WeakPolarHBondContact OG-CB 3.24Å; S109-S113 PolarHBondContact OG-O 3.48Å; S109-S113 PolarHBondContact OG-OG 3.37Å; S109-G114 PolarHBondContact OG-N 3.16Å; S109-S117 VanDerWaalsContact CB-OG 3.31Å; S109-S117 WeakPolarHBondContact CB-OG 3.43Å; S109-S117 VanDerWaalsContact OG-CB 3.23Å; S109-S117 WeakPolarHBondContact OG-CB 3.46Å; S109-S117 PolarHBondContact OG-OG 2.75Å; S109-V132 PolarHBondContact N-O 3.17Å; S109-P133 WeakPolarHBondContact O-CA 3.38Å; S109-V134 PolarHBondContact O-N 3.28Å
110P98.7Very high98.3Very high1 Ų118.9 Ų18.91%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-84.7143.2173.134-35.8000113.2L38 W48 L112 S113 V134 Y191L38-P110 WeakPolarHBondContact O-CD 3.41Å; W48-P110 HydrophobicContact CZ2-CG 4.09Å; P110-L112 PolarHBondContact O-N 2.97Å; P110-S113 WeakPolarHBondContact CD-OG 2.99Å; P110-S113 VanDerWaalsContact N-OG 3.1Å; P110-S113 PolarHBondContact O-N 3.29Å; P110-S113 VanDerWaalsContact O-N 3.14Å; P110-S113 PolarHBondContact O-OG 3.2Å; P110-V134 CarbonylContact C-O 3.53Å; P110-V134 VanDerWaalsContact CA-O 3.22Å; P110-V134 WeakPolarHBondContact CA-O 3.49Å; P110-V134 HydrophobicContact CB-CB 3.91Å; P110-V134 HydrophobicContact CB-CG2 4.41Å; P110-Y191 HydrophobicContact CB-CE1 3.8Å; P110-Y191 HydrophobicContact CG-CE1 4.45Å
111S98.2Very high98.4Very high17 Ų1718.8 Ų18.812%0.11911%0.11CC..G310 helixtrans51.9-122.6161-171.50000113.7S113 G114 V134 A135 P136 I137 H188S111-S113 PolarHBondContact O-N 3.23Å; S111-G114 PolarHBondContact O-N 2.72Å; S111-V134 PolarHBondContact N-O 3.07Å; S111-A135 WeakPolarHBondContact CA-O 3.27Å; S111-P136 VanDerWaalsContact O-CA 3.31Å; S111-P136 WeakPolarHBondContact O-CA 3.37Å; S111-I137 PolarHBondContact O-N 3.38Å; S111-H188 WeakPolarHBondContact CB-NE2 3.47Å; S111-H188 PolarHBondContact OG-NE2 3.06Å
112L98.6Very high98.4Very high12 Ų1212.5 Ų12.56%0.0638%0.082CC..G310 helixtrans-42.6-42.6178.5-18072.4000113.1I41 L72 I84 P110 G114 M115 I137I41-L112 HydrophobicContact CB-CB 4.17Å; I41-L112 HydrophobicContact CB-CD2 3.79Å; I41-L112 HydrophobicContact CB-CG 4.39Å; I41-L112 HydrophobicContact CG1-CD2 4.03Å; L72-L112 HydrophobicContact CD1-CD2 3.49Å; L72-L112 VanDerWaalsContact CD1-CD2 3.49Å; I84-L112 HydrophobicContact CG1-CD1 4.31Å; I84-L112 HydrophobicContact CG2-CD1 3.99Å; P110-L112 PolarHBondContact O-N 2.97Å; L112-G114 PolarHBondContact O-N 2.95Å; L112-M115 HydrophobicContact CD1-SD 3.76Å; L112-M115 HydrophobicContact CG-SD 4.27Å; L112-M115 VanDerWaalsContact O-CG 3.31Å; L112-M115 WeakPolarHBondContact O-CG 3.29Å; L112-M115 PolarHBondContact O-N 3.02Å; L112-M115 VanDerWaalsContact O-N 3.14Å; L112-I137 HydrophobicContact CD1-CD1 3.94Å; L112-I137 WeakPolarHBondContact O-CG1 3.32Å
113S98.8Very high98.3Very high0 Ų013.5 Ų13.50%09%0.092CC..G310 helixtrans-61.6-13.6-173.765.30000114.7H39 S109 P110 S111 M115 Y116 S117H39-S113 WeakPolarHBondContact O-CB 3.26Å; S109-S113 VanDerWaalsContact CA-OG 3.24Å; S109-S113 WeakPolarHBondContact CA-OG 3.46Å; S109-S113 VanDerWaalsContact OG-C 3.3Å; S109-S113 WeakPolarHBondContact OG-CB 3.24Å; S109-S113 PolarHBondContact OG-O 3.48Å; S109-S113 PolarHBondContact OG-OG 3.37Å; P110-S113 WeakPolarHBondContact CD-OG 2.99Å; P110-S113 VanDerWaalsContact N-OG 3.1Å; P110-S113 PolarHBondContact O-N 3.29Å; P110-S113 VanDerWaalsContact O-N 3.14Å; P110-S113 PolarHBondContact O-OG 3.2Å; S111-S113 PolarHBondContact O-N 3.23Å; S113-M115 PolarHBondContact O-N 3.04Å; S113-Y116 PolarHBondContact O-N 3.39Å; S113-S117 PolarHBondContact O-N 3.27Å; S113-S117 PolarHBondContact O-OG 3.46Å
114G98.8Very high98Very high0 Ų018 Ų180%011%0.114CC..Hα-helixtrans-51-37.3170.600000113.7S109 S111 L112 Y116 S117 L118S109-G114 PolarHBondContact OG-N 3.16Å; S111-G114 PolarHBondContact O-N 2.72Å; L112-G114 PolarHBondContact O-N 2.95Å; G114-Y116 PolarHBondContact O-N 3.14Å; G114-S117 PolarHBondContact O-N 2.71Å; G114-L118 VanDerWaalsContact O-CB 3.31Å; G114-L118 WeakPolarHBondContact O-CB 3.49Å; G114-L118 WeakPolarHBondContact O-CG 3.41Å; G114-L118 PolarHBondContact O-N 2.89Å
115M98.7Very high97.3Very high1 Ų118.9 Ų18.91%0.00513%0.133CC..Hα-helixtrans-63.5-22.317874.2-172.5-76.200113.3A82 P83 E86 A88 L112 S113 P119 I137A82-M115 HydrophobicContact CB-CE 4.28Å; P83-M115 WeakPolarHBondContact O-CE 3.41Å; E86-M115 WeakPolarHBondContact O-CE 3.33Å; A88-M115 WeakPolarHBondContact CB-O 3.44Å; A88-M115 PolarHBondContact N-O 3.5Å; L112-M115 HydrophobicContact CD1-SD 3.76Å; L112-M115 HydrophobicContact CG-SD 4.27Å; L112-M115 VanDerWaalsContact O-CG 3.31Å; L112-M115 WeakPolarHBondContact O-CG 3.29Å; L112-M115 PolarHBondContact O-N 3.02Å; L112-M115 VanDerWaalsContact O-N 3.14Å; S113-M115 PolarHBondContact O-N 3.04Å; M115-P119 WeakPolarHBondContact O-CD 3.3Å; M115-I137 HydrophobicContact CB-CD1 4.24Å; M115-I137 HydrophobicContact CB-CG1 4.46Å; M115-I137 HydrophobicContact SD-CD1 4.43Å
116Y98.8Very high96.8Very high8 Ų820.2 Ų20.23%0.03114%0.143CC..Hα-helixtrans-98.5-42.8177.1-61-90.8000112L69 P81 A88 F92 L93 S113 G114L69-Y116 HydrophobicContact CD1-CD2 4.04Å; L69-Y116 HydrophobicContact CD1-CE2 3.98Å; L69-Y116 HydrophobicContact CD2-CD1 4.41Å; L69-Y116 HydrophobicContact CD2-CD2 3.93Å; L69-Y116 HydrophobicContact CD2-CE1 4.49Å; L69-Y116 HydrophobicContact CD2-CE2 4.05Å; L69-Y116 HydrophobicContact CD2-CG 4.13Å; L69-Y116 HydrophobicContact CG-CE2 4.45Å; P81-Y116 HydrophobicContact CG-CD1 4.47Å; P81-Y116 HydrophobicContact CG-CE1 3.79Å; A88-Y116 HydrophobicContact CB-CD1 3.72Å; A88-Y116 HydrophobicContact CB-CE1 4.02Å; A88-Y116 HydrophobicContact CB-CG 4.32Å; F92-Y116 AromaticContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CE1 4.03Å; F92-Y116 AromaticContact CE1-CD1 3.69Å; F92-Y116 HydrophobicContact CE1-CD1 3.69Å; F92-Y116 AromaticContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CG-CD1 4.31Å; F92-Y116 HydrophobicContact CZ-CE1 4.41Å; L93-Y116 WeakPolarHBondContact CD1-O 3.35Å; S113-Y116 PolarHBondContact O-N 3.39Å; G114-Y116 PolarHBondContact O-N 3.14Å
117S98.8Very high95.9Very high1 Ų126.2 Ų26.21%0.00717%0.169CC..Hα-helixtrans-76.3-35.9-172.1670000113.5S109 S113 G114 F120 L121S109-S117 VanDerWaalsContact CB-OG 3.31Å; S109-S117 WeakPolarHBondContact CB-OG 3.43Å; S109-S117 VanDerWaalsContact OG-CB 3.23Å; S109-S117 WeakPolarHBondContact OG-CB 3.46Å; S109-S117 PolarHBondContact OG-OG 2.75Å; S113-S117 PolarHBondContact O-N 3.27Å; S113-S117 PolarHBondContact O-OG 3.46Å; G114-S117 PolarHBondContact O-N 2.71Å; S117-F120 PolarHBondContact O-N 2.91Å; S117-L121 WeakPolarHBondContact O-CB 3.17Å; S117-L121 PolarHBondContact O-N 3.3Å
118L98.8Very high95.8Very high0 Ų026.8 Ų26.80%017%0.172CC..Hα-helixtrans-67.6-47.1-178.1-68.1170.7000112.3G114 F120 L121 V122 F131 I137 C138 T139 I142 Y147 L172G114-L118 VanDerWaalsContact O-CB 3.31Å; G114-L118 WeakPolarHBondContact O-CB 3.49Å; G114-L118 WeakPolarHBondContact O-CG 3.41Å; G114-L118 PolarHBondContact O-N 2.89Å; L118-F120 PolarHBondContact O-N 2.64Å; L118-L121 HydrophobicContact CD2-CD2 4.49Å; L118-L121 WeakPolarHBondContact O-CB 3.41Å; L118-L121 PolarHBondContact O-N 3.47Å; L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 2.95Å; L118-V122 VanDerWaalsContact O-N 3.17Å; L118-F131 HydrophobicContact CD2-CE1 4.25Å; L118-F131 HydrophobicContact CD2-CZ 4.21Å; L118-I137 WeakPolarHBondContact CD1-O 3.46Å; L118-C138 HydrophobicContact CD1-CB 4.39Å; L118-C138 WeakPolarHBondContact CD1-O 3.44Å; L118-T139 HydrophobicContact CD1-CG2 3.79Å; L118-I142 HydrophobicContact CB-CD1 4.04Å; L118-I142 HydrophobicContact CB-CG1 3.86Å; L118-I142 HydrophobicContact CD1-CG1 4.28Å; L118-I142 HydrophobicContact CG-CG1 4.5Å; L118-Y147 HydrophobicContact CD2-CE1 4.17Å; L118-L172 HydrophobicContact CD2-CD2 4.24Å
119P98.4Very high95.8Very high17 Ų1732.1 Ų32.111%0.1119%0.191CC..Hα-helixtrans-61-33.7173.4-28.540.7000113.1P87 A88 M115 A123P87-P119 HydrophobicContact CB-CG 3.53Å; A88-P119 WeakPolarHBondContact O-CB 3.4Å; A88-P119 WeakPolarHBondContact O-CG 3.28Å; M115-P119 WeakPolarHBondContact O-CD 3.3Å; P119-A123 WeakPolarHBondContact O-CB 3.42Å; P119-A123 PolarHBondContact O-N 2.71Å; P119-A123 VanDerWaalsContact O-N 3.12Å
120F98.5Very high95.8Very high13 Ų1332.5 Ų32.56%0.05720%0.195CC..Hα-helixtrans-71.4-38.3175.6178.3-134.6000112.6L93 A94 V97 V107 S117 L118 V122 A123 S126 L128L93-F120 HydrophobicContact CB-CB 3.91Å; L93-F120 HydrophobicContact CB-CD1 3.55Å; L93-F120 HydrophobicContact CB-CD2 4.21Å; L93-F120 HydrophobicContact CB-CE1 4.03Å; L93-F120 HydrophobicContact CB-CG 3.64Å; L93-F120 HydrophobicContact CD1-CB 4.03Å; L93-F120 HydrophobicContact CD1-CD1 3.87Å; L93-F120 HydrophobicContact CD1-CG 4.28Å; L93-F120 HydrophobicContact CG-CB 4.46Å; L93-F120 HydrophobicContact CG-CD1 4.39Å; A94-F120 HydrophobicContact CB-CD2 4.29Å; A94-F120 HydrophobicContact CB-CE2 3.92Å; V97-F120 HydrophobicContact CG2-CE1 4.14Å; V97-F120 HydrophobicContact CG2-CZ 4.02Å; V107-F120 HydrophobicContact CG2-CE1 4.29Å; S117-F120 PolarHBondContact O-N 2.91Å; L118-F120 PolarHBondContact O-N 2.64Å; F120-V122 VanDerWaalsContact C-N 3.33Å; F120-V122 PolarHBondContact O-N 3.06Å; F120-A123 PolarHBondContact O-N 3.38Å; F120-S126 WeakPolarHBondContact O-CB 3.33Å; F120-S126 PolarHBondContact O-OG 3.14Å; F120-L128 HydrophobicContact CD1-CD1 4.37Å; F120-L128 HydrophobicContact CD1-CD2 4.15Å; F120-L128 HydrophobicContact CE1-CD1 4.43Å; F120-L128 HydrophobicContact CE1-CD2 3.42Å; F120-L128 VanDerWaalsContact CE1-CD2 3.42Å; F120-L128 HydrophobicContact CE1-CG 4.24Å; F120-L128 HydrophobicContact CZ-CD2 3.86Å
121L98.5Very high95.8Very high9 Ų932.6 Ų32.65%0.04720%0.195CC..Hα-helixtrans-61.8-40.3177.717768.4000112S117 L118 L128 F131 V150 T152 L175S117-L121 WeakPolarHBondContact O-CB 3.17Å; S117-L121 PolarHBondContact O-N 3.3Å; L118-L121 HydrophobicContact CD2-CD2 4.49Å; L118-L121 WeakPolarHBondContact O-CB 3.41Å; L118-L121 PolarHBondContact O-N 3.47Å; L121-L128 HydrophobicContact CB-CD1 4.41Å; L121-L128 HydrophobicContact CD1-CD1 3.75Å; L121-F131 HydrophobicContact CD1-CB 4.18Å; L121-F131 HydrophobicContact CD1-CD1 4.41Å; L121-F131 HydrophobicContact CD1-CG 4.21Å; L121-F131 HydrophobicContact CD2-CD1 3.63Å; L121-F131 HydrophobicContact CD2-CE1 3.73Å; L121-F131 HydrophobicContact CD2-CG 4.19Å; L121-F131 HydrophobicContact CD2-CZ 4.37Å; L121-V150 HydrophobicContact CD1-CG1 3.79Å; L121-V150 HydrophobicContact CD2-CG1 4.5Å; L121-V150 HydrophobicContact CD2-CG2 4.49Å; L121-V150 HydrophobicContact CG-CG1 4.1Å; L121-V150 HydrophobicContact CG-CG2 4.07Å; L121-T152 HydrophobicContact CD1-CG2 4.42Å; L121-L175 HydrophobicContact CD2-CD2 4.11Å
122V97.8Very high95.8Very high30 Ų3033.1 Ų33.118%0.18220%0.197CC..SBendtrans-94.9-0.8-177.6-54.10000113.6L118 F120 I142 D146 V150L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 2.95Å; L118-V122 VanDerWaalsContact O-N 3.17Å; F120-V122 VanDerWaalsContact C-N 3.33Å; F120-V122 PolarHBondContact O-N 3.06Å; V122-I142 HydrophobicContact CG1-CG2 3.87Å; V122-I142 HydrophobicContact CG2-CD1 4.32Å; V122-D146 HydrophobicContact CB-CB 4.17Å; V122-D146 HydrophobicContact CG1-CB 4.11Å; V122-V150 HydrophobicContact CG1-CG2 3.93Å
123A95.5Very high95.8Very high29 Ų2932.5 Ų32.524%0.2419%0.194CC..SBendtrans-63.1139.7179.900000111.3P119 F120 G125 S126P119-A123 WeakPolarHBondContact O-CB 3.42Å; P119-A123 PolarHBondContact O-N 2.71Å; P119-A123 VanDerWaalsContact O-N 3.12Å; F120-A123 PolarHBondContact O-N 3.38Å; A123-G125 PolarHBondContact O-N 3.34Å; A123-S126 WeakPolarHBondContact O-CB 3.31Å; A123-S126 PolarHBondContact O-N 2.8Å
124P88.9Confident95.8Very high134 Ų13432.9 Ų32.987%0.8720%0.197SC*.THydrogen-bonded Turntrans-54.7129.6175-25.934.3000111.8S126P124-S126 PolarHBondContact O-N 3.04Å
125G83.4Confident95.8Very high77 Ų7733 Ų3379%0.79420%0.197SC*.THydrogen-bonded Turntrans75.43.2-179.900000115A123 Q127A123-G125 PolarHBondContact O-N 3.34Å; G125-Q127 PolarHBondContact O-N 3.29Å
126S87.5Confident95.8Very high30 Ų3033.1 Ų33.121%0.2120%0.198CC..  trans-61.8123173.7-172.50000110.8F120 A123 P124F120-S126 WeakPolarHBondContact O-CB 3.33Å; F120-S126 PolarHBondContact O-OG 3.14Å; A123-S126 WeakPolarHBondContact O-CB 3.31Å; A123-S126 PolarHBondContact O-N 2.8Å; P124-S126 PolarHBondContact O-N 3.04Å
127Q81.5Confident95.8Very high148 Ų14834.8 Ų34.869%0.69221%0.207SC*.  trans-114.979.8179.1-66.6-166.4-24.200109.7P104 G125P104-Q127 VanDerWaalsContact CA-O 3.28Å; P104-Q127 WeakPolarHBondContact CA-O 3.48Å; P104-Q127 HydrophobicContact CB-CB 4.49Å; P104-Q127 WeakPolarHBondContact CB-O 3.3Å; P104-Q127 HydrophobicContact CG-CB 4.37Å; G125-Q127 PolarHBondContact O-N 3.29Å
128L97Very high95.8Very high12 Ų1235.1 Ų35.16%0.06321%0.209CC..  trans-84.9134.9168-66.6-172.2000110.5P105 V107 F120 L121 G130 T152P105-L128 HydrophobicContact CG-CD2 4Å; V107-L128 HydrophobicContact CB-CD1 4.39Å; V107-L128 HydrophobicContact CG2-CD1 4.07Å; V107-L128 HydrophobicContact CG2-CD2 3.61Å; F120-L128 HydrophobicContact CD1-CD1 4.37Å; F120-L128 HydrophobicContact CD1-CD2 4.15Å; F120-L128 HydrophobicContact CE1-CD1 4.43Å; F120-L128 HydrophobicContact CE1-CD2 3.42Å; F120-L128 VanDerWaalsContact CE1-CD2 3.42Å; F120-L128 HydrophobicContact CE1-CG 4.24Å; F120-L128 HydrophobicContact CZ-CD2 3.86Å; L121-L128 HydrophobicContact CB-CD1 4.41Å; L121-L128 HydrophobicContact CD1-CD1 3.75Å; L128-G130 VanDerWaalsContact C-N 3.33Å; L128-T152 HydrophobicContact CB-CG2 3.69Å; L128-T152 WeakPolarHBondContact O-CG2 3.31Å; L128-T152 PolarHBondContact O-OG1 2.67Å
129R97.9Very high95.8Very high136 Ų13635.5 Ų35.551%0.51321%0.212SC..SBendtrans-74.2-28173.8-178.6170.5-73.8-92.31.2112.1P104 P105 V106P104-R129 WeakPolarHBondContact O-CB 3.5Å; P105-R129 PolarHBondContact O-N 2.97Å; V106-R129 HydrophobicContact CG2-CB 4.19Å; V106-R129 HydrophobicContact CG2-CG 4.25Å
130G98.6Very high95.8Very high8 Ų838.8 Ų38.88%0.08223%0.228CC..EExtended strand (participates in β ladder)trans-170.5158.6176.800000111.6V106 V107 L128 T152 P153V106-G130 VanDerWaalsContact CA-O 3.3Å; V106-G130 WeakPolarHBondContact CA-O 3.18Å; V107-G130 PolarHBondContact N-O 3.23Å; L128-G130 VanDerWaalsContact C-N 3.33Å; G130-T152 VanDerWaalsContact CA-CG2 3.48Å; G130-P153 CarbonylContact C-O 3.54Å; G130-P153 VanDerWaalsContact CA-O 3.3Å; G130-P153 WeakPolarHBondContact CA-O 3.23Å
131F98.9Very high95.7Very high2 Ų243.6 Ų43.61%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-129.9128.5178.6-175.7-127.2000110.8V107 L118 L121 P133 T152 P153 A154 L155 L172 L175V107-F131 HydrophobicContact CB-CD2 4.26Å; V107-F131 HydrophobicContact CG1-CD2 4.43Å; V107-F131 HydrophobicContact CG1-CE2 4.42Å; L118-F131 HydrophobicContact CD2-CE1 4.25Å; L118-F131 HydrophobicContact CD2-CZ 4.21Å; L121-F131 HydrophobicContact CD1-CB 4.18Å; L121-F131 HydrophobicContact CD1-CD1 4.41Å; L121-F131 HydrophobicContact CD1-CG 4.21Å; L121-F131 HydrophobicContact CD2-CD1 3.63Å; L121-F131 HydrophobicContact CD2-CE1 3.73Å; L121-F131 HydrophobicContact CD2-CG 4.19Å; L121-F131 HydrophobicContact CD2-CZ 4.37Å; F131-P133 HydrophobicContact CD1-CB 4.31Å; F131-P133 HydrophobicContact CD1-CG 3.84Å; F131-P133 HydrophobicContact CE1-CB 3.59Å; F131-P133 HydrophobicContact CE1-CG 3.56Å; F131-P133 HydrophobicContact CZ-CB 3.77Å; F131-P133 HydrophobicContact CZ-CG 4.22Å; F131-P133 WeakPolarHBondContact O-CD 3.29Å; F131-T152 HydrophobicContact CB-CG2 4.21Å; F131-P153 PolarHBondContact N-O 3.28Å; F131-A154 HydrophobicContact CB-CB 4.47Å; F131-A154 CarbonylContact O-C 3.47Å; F131-A154 WeakPolarHBondContact O-CA 3.49Å; F131-L155 PolarHBondContact O-N 3.02Å; F131-L172 HydrophobicContact CE1-CD2 4.45Å; F131-L175 HydrophobicContact CD1-CD1 4.39Å
132V98.9Very high95.7Very high28 Ų2843.9 Ų43.917%0.1725%0.251CS..EExtended strand (participates in β ladder)trans-122.982.1179.1-171.20000108.6V106 V107 I108 S109 L155 V157V106-V132 HydrophobicContact CG1-CG2 4.09Å; V107-V132 PolarHBondContact O-N 2.92Å; I108-V132 WeakPolarHBondContact CA-O 3.23Å; I108-V132 HydrophobicContact CB-CB 4.48Å; I108-V132 HydrophobicContact CG1-CB 4.11Å; I108-V132 HydrophobicContact CG1-CG2 4.36Å; I108-V132 HydrophobicContact CG2-CB 4.47Å; S109-V132 PolarHBondContact N-O 3.17Å; V132-L155 WeakPolarHBondContact CA-O 3.25Å; V132-L155 HydrophobicContact CG2-CB 4.42Å; V132-V157 HydrophobicContact CG1-CG2 3.89Å
133P98.8Very high95.7Very high0 Ų046.3 Ų46.30%026%0.263CS..EExtended strand (participates in β ladder)trans-73.3138.5173.627.1-29.7000110.6S109 F131 P136 L155 I156 V157 L172S109-P133 WeakPolarHBondContact O-CA 3.38Å; F131-P133 HydrophobicContact CD1-CB 4.31Å; F131-P133 HydrophobicContact CD1-CG 3.84Å; F131-P133 HydrophobicContact CE1-CB 3.59Å; F131-P133 HydrophobicContact CE1-CG 3.56Å; F131-P133 HydrophobicContact CZ-CB 3.77Å; F131-P133 HydrophobicContact CZ-CG 4.22Å; F131-P133 WeakPolarHBondContact O-CD 3.29Å; P133-P136 HydrophobicContact CB-CG 3.71Å; P133-L155 WeakPolarHBondContact CD-O 3.23Å; P133-I156 HydrophobicContact CG-CB 4.42Å; P133-I156 HydrophobicContact CG-CG1 4.07Å; P133-V157 PolarHBondContact O-N 3.19Å; P133-L172 HydrophobicContact CB-CD1 3.86Å; P133-L172 HydrophobicContact CB-CD2 4.48Å; P133-L172 HydrophobicContact CG-CD1 3.87Å; P133-L172 HydrophobicContact CG-CD2 4.35Å
134V98.8Very high95.8Very high8 Ų847.5 Ų47.55%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-123.593.3172.6-164.80000110.4S109 P110 S111 P136 V157 C190 Y191S109-V134 PolarHBondContact O-N 3.28Å; P110-V134 CarbonylContact C-O 3.53Å; P110-V134 VanDerWaalsContact CA-O 3.22Å; P110-V134 WeakPolarHBondContact CA-O 3.49Å; P110-V134 HydrophobicContact CB-CB 3.91Å; P110-V134 HydrophobicContact CB-CG2 4.41Å; S111-V134 PolarHBondContact N-O 3.07Å; V134-P136 VanDerWaalsContact C-CD 3.5Å; V134-V157 VanDerWaalsContact CA-O 3.28Å; V134-V157 WeakPolarHBondContact CA-O 3.49Å; V134-V157 HydrophobicContact CG1-CB 4.42Å; V134-V157 HydrophobicContact CG2-CB 4.22Å; V134-C190 WeakPolarHBondContact CG1-SG 3.17Å; V134-Y191 HydrophobicContact CG1-CD1 4.11Å; V134-Y191 HydrophobicContact CG1-CE1 4.3Å
135A98.3Very high96.1Very high2 Ų246.4 Ų46.42%0.01726%0.263CS..SBendtrans4154.8-173.300000114.4S111 V157 D162 M164S111-A135 WeakPolarHBondContact CA-O 3.27Å; A135-V157 PolarHBondContact N-O 3.14Å; A135-D162 WeakPolarHBondContact CB-OD2 3.4Å; A135-M164 HydrophobicContact CB-CB 4.25Å
136P98.6Very high96.8Very high4 Ų445.6 Ų45.63%0.02624%0.24CC..  trans-72.1151.1-175.530.4-34.8000112.8S111 P133 V134 T139 L172S111-P136 VanDerWaalsContact O-CA 3.31Å; S111-P136 WeakPolarHBondContact O-CA 3.37Å; P133-P136 HydrophobicContact CB-CG 3.71Å; V134-P136 VanDerWaalsContact C-CD 3.5Å; P136-T139 HydrophobicContact CB-CG2 4.46Å; P136-T139 HydrophobicContact CG-CG2 3.72Å; P136-L172 HydrophobicContact CG-CD1 3.95Å
137I98.5Very high97.3Very high42 Ų4244.1 Ų44.122%0.21523%0.23CC..SBendtrans-76.3171.1168.368.1167.7000111.4S111 L112 M115 L118 T139S111-I137 PolarHBondContact O-N 3.38Å; L112-I137 HydrophobicContact CD1-CD1 3.94Å; L112-I137 WeakPolarHBondContact O-CG1 3.32Å; M115-I137 HydrophobicContact CB-CD1 4.24Å; M115-I137 HydrophobicContact CB-CG1 4.46Å; M115-I137 HydrophobicContact SD-CD1 4.43Å; L118-I137 WeakPolarHBondContact CD1-O 3.46Å; I137-T139 PolarHBondContact O-N 3.26Å
138C98.4Very high98Very high8 Ų839.5 Ų39.55%0.05422%0.217CC..  trans63.414.7176.1-56.80000115.4G85 L118 D140 K141G85-C138 VanDerWaalsContact C-SG 3.53Å; G85-C138 PolarHBondContact O-SG 3.5Å; L118-C138 HydrophobicContact CD1-CB 4.39Å; L118-C138 WeakPolarHBondContact CD1-O 3.44Å; C138-D140 PolarHBondContact O-N 2.66Å; C138-K141 HydrophobicContact CB-CB 4.39Å; C138-K141 HydrophobicContact CB-CG 3.99Å; C138-K141 WeakPolarHBondContact O-CB 3.18Å; C138-K141 PolarHBondContact O-N 2.97Å
139T98.5Very high97.9Very high8 Ų842.1 Ų42.15%0.04924%0.237CC..G310 helixtrans-65.8-27.7176.151.40000112.9L118 P136 I137 K141 Y147 L172L118-T139 HydrophobicContact CD1-CG2 3.79Å; P136-T139 HydrophobicContact CB-CG2 4.46Å; P136-T139 HydrophobicContact CG-CG2 3.72Å; I137-T139 PolarHBondContact O-N 3.26Å; T139-K141 PolarHBondContact O-N 3.13Å; T139-Y147 WeakPolarHBondContact CA-OH 3.11Å; T139-Y147 PolarHBondContact O-OH 2.72Å; T139-L172 HydrophobicContact CG2-CD1 4.23Å; T139-L172 HydrophobicContact CG2-CD2 3.98Å; T139-L172 HydrophobicContact CG2-CG 3.91Å
140D98.1Very high97.9Very high86 Ų8636 Ų3646%0.4622%0.215SC..G310 helixtrans-71.5-16172.766.6-59.1000113.4C138C138-D140 PolarHBondContact O-N 2.66Å
141K98.1Very high97.8Very high114 Ų11442.4 Ų42.450%0.49624%0.24SC..G310 helixtrans-86-12.4-178-53.9-57.1179.2-1520113.4P87 C138 T139P87-K141 HydrophobicContact CG-CB 3.67Å; P87-K141 HydrophobicContact CG-CG 4.06Å; C138-K141 HydrophobicContact CB-CB 4.39Å; C138-K141 HydrophobicContact CB-CG 3.99Å; C138-K141 WeakPolarHBondContact O-CB 3.18Å; C138-K141 PolarHBondContact O-N 2.97Å; T139-K141 PolarHBondContact O-N 3.13Å
142I98Very high97.7Very high16 Ų1643.2 Ų43.28%0.08225%0.245CC..SBendtrans-97.9127.3176.4-52.2-56.9000108.2L118 V122 D146 Y147L118-I142 HydrophobicContact CB-CD1 4.04Å; L118-I142 HydrophobicContact CB-CG1 3.86Å; L118-I142 HydrophobicContact CD1-CG1 4.28Å; L118-I142 HydrophobicContact CG-CG1 4.5Å; V122-I142 HydrophobicContact CG1-CG2 3.87Å; V122-I142 HydrophobicContact CG2-CD1 4.32Å; I142-D146 HydrophobicContact CG2-CB 3.89Å; I142-Y147 HydrophobicContact CB-CD2 4.09Å; I142-Y147 HydrophobicContact CB-CE1 4.27Å; I142-Y147 HydrophobicContact CB-CE2 3.52Å; I142-Y147 HydrophobicContact CG1-CE2 4.48Å; I142-Y147 HydrophobicContact CG2-CD1 4.09Å; I142-Y147 HydrophobicContact CG2-CD2 3.77Å; I142-Y147 HydrophobicContact CG2-CE1 4Å; I142-Y147 HydrophobicContact CG2-CE2 3.7Å; I142-Y147 HydrophobicContact CG2-CG 3.98Å
143N97.2Very high97.7Very high81 Ų8145.6 Ų45.643%0.43326%0.261SS..  trans-77163.5-179.370.260.1000111.6V145 D146 Y147N143-V145 VanDerWaalsContact C-N 3.29Å; N143-V145 PolarHBondContact O-N 2.88Å; N143-V145 WeakPolarHBondContact OD1-CA 3.4Å; N143-V145 WeakPolarHBondContact OD1-CB 3.42Å; N143-V145 PolarHBondContact OD1-N 3.07Å; N143-D146 PolarHBondContact ND2-OD2 3.4Å; N143-D146 PolarHBondContact O-N 2.84Å; N143-D146 PolarHBondContact OD1-N 2.95Å; N143-D146 PolarHBondContact OD1-OD2 3.17Å; N143-Y147 PolarHBondContact O-N 3.38Å; N143-Y147 VanDerWaalsContact O-N 3.14Å
144A96.9Very high97.7Very high53 Ų5346 Ų4644%0.43827%0.265SS..Hα-helixtrans-61.1-35.1-177.900000113.7Y147 A148A144-Y147 PolarHBondContact O-N 3.26Å; A144-A148 VanDerWaalsContact O-CB 3.29Å; A144-A148 WeakPolarHBondContact O-CB 3.38Å; A144-A148 PolarHBondContact O-N 2.85Å
145V97.3Very high97.7Very high111 Ų11148.5 Ų48.567%0.67328%0.277SS*.Hα-helixtrans-67.2-44.3-178.5177.10000110.1N143 A148 S149N143-V145 VanDerWaalsContact C-N 3.29Å; N143-V145 PolarHBondContact O-N 2.88Å; N143-V145 WeakPolarHBondContact OD1-CA 3.4Å; N143-V145 WeakPolarHBondContact OD1-CB 3.42Å; N143-V145 PolarHBondContact OD1-N 3.07Å; V145-A148 PolarHBondContact O-N 2.81Å; V145-S149 PolarHBondContact O-N 3.22Å
146D97.5Very high97.7Very high60 Ų6048.4 Ų48.432%0.32128%0.277SS..Hα-helixtrans-63.7-46.3177.3-67.5-21.9000110.4V122 I142 N143 A148 S149 V150V122-D146 HydrophobicContact CB-CB 4.17Å; V122-D146 HydrophobicContact CG1-CB 4.11Å; I142-D146 HydrophobicContact CG2-CB 3.89Å; N143-D146 PolarHBondContact ND2-OD2 3.4Å; N143-D146 PolarHBondContact O-N 2.84Å; N143-D146 PolarHBondContact OD1-N 2.95Å; N143-D146 PolarHBondContact OD1-OD2 3.17Å; D146-A148 PolarHBondContact O-N 3.06Å; D146-S149 WeakPolarHBondContact O-CB 3.39Å; D146-S149 PolarHBondContact O-N 3.08Å; D146-S149 PolarHBondContact O-OG 2.93Å; D146-V150 PolarHBondContact O-N 3.34Å
147Y97.8Very high97.7Very high0 Ų048.8 Ų48.80%028%0.279CS..Hα-helixtrans-58.8-45.6174.6-83.5-52.6000112.8L118 T139 I142 N143 A144 S149 V150 H171 L172 Q174 L175 P176L118-Y147 HydrophobicContact CD2-CE1 4.17Å; T139-Y147 WeakPolarHBondContact CA-OH 3.11Å; T139-Y147 PolarHBondContact O-OH 2.72Å; I142-Y147 HydrophobicContact CB-CD2 4.09Å; I142-Y147 HydrophobicContact CB-CE1 4.27Å; I142-Y147 HydrophobicContact CB-CE2 3.52Å; I142-Y147 HydrophobicContact CG1-CE2 4.48Å; I142-Y147 HydrophobicContact CG2-CD1 4.09Å; I142-Y147 HydrophobicContact CG2-CD2 3.77Å; I142-Y147 HydrophobicContact CG2-CE1 4Å; I142-Y147 HydrophobicContact CG2-CE2 3.7Å; I142-Y147 HydrophobicContact CG2-CG 3.98Å; N143-Y147 PolarHBondContact O-N 3.38Å; N143-Y147 VanDerWaalsContact O-N 3.14Å; A144-Y147 PolarHBondContact O-N 3.26Å; Y147-S149 PolarHBondContact O-N 3.05Å; Y147-V150 WeakPolarHBondContact O-CB 3.09Å; Y147-V150 PolarHBondContact O-N 3.43Å; Y147-H171 HydrophobicContact CE2-CB 4.16Å; Y147-L172 HydrophobicContact CE1-CD2 4.17Å; Y147-Q174 HydrophobicContact CD2-CB 4.35Å; Y147-Q174 HydrophobicContact CG-CB 4.28Å; Y147-L175 HydrophobicContact CD1-CD2 3.74Å; Y147-L175 HydrophobicContact CD1-CG 3.91Å; Y147-L175 HydrophobicContact CE1-CD2 4.4Å; Y147-L175 HydrophobicContact CE1-CG 4.4Å; Y147-P176 WeakPolarHBondContact O-CD 3.49Å
148A96.1Very high97.7Very high50 Ų5048 Ų4841%0.41327%0.273SS..Hα-helixtrans-66.5-23.3-179.800000113.2A144 V145 D146 K151 P176A144-A148 VanDerWaalsContact O-CB 3.29Å; A144-A148 WeakPolarHBondContact O-CB 3.38Å; A144-A148 PolarHBondContact O-N 2.85Å; V145-A148 PolarHBondContact O-N 2.81Å; D146-A148 PolarHBondContact O-N 3.06Å; A148-K151 PolarHBondContact O-NZ 3.49Å; A148-P176 VanDerWaalsContact O-CG 3.3Å; A148-P176 WeakPolarHBondContact O-CG 3.37Å
149S95.7Very high97.7Very high67 Ų6747.6 Ų47.647%0.46927%0.271SS..Hα-helixtrans-73.7-27176.682.10000112.8V145 D146 Y147 K151V145-S149 PolarHBondContact O-N 3.22Å; D146-S149 WeakPolarHBondContact O-CB 3.39Å; D146-S149 PolarHBondContact O-N 3.08Å; D146-S149 PolarHBondContact O-OG 2.93Å; Y147-S149 PolarHBondContact O-N 3.05Å; S149-K151 WeakPolarHBondContact O-CE 3.31Å; S149-K151 PolarHBondContact O-N 3.19Å
150V96.9Very high97.7Very high9 Ų950.5 Ų50.56%0.05529%0.286CS..  trans-65.5125.5-176.8177.70000111L121 V122 D146 Y147 L175 P176L121-V150 HydrophobicContact CD1-CG1 3.79Å; L121-V150 HydrophobicContact CD2-CG1 4.5Å; L121-V150 HydrophobicContact CD2-CG2 4.49Å; L121-V150 HydrophobicContact CG-CG1 4.1Å; L121-V150 HydrophobicContact CG-CG2 4.07Å; V122-V150 HydrophobicContact CG1-CG2 3.93Å; D146-V150 PolarHBondContact O-N 3.34Å; Y147-V150 WeakPolarHBondContact O-CB 3.09Å; Y147-V150 PolarHBondContact O-N 3.43Å; V150-L175 HydrophobicContact CB-CD2 3.73Å; V150-L175 HydrophobicContact CG1-CD2 3.76Å; V150-L175 HydrophobicContact CG2-CD2 4.07Å; V150-P176 VanDerWaalsContact O-CD 3.31Å; V150-P176 WeakPolarHBondContact O-CD 3.31Å; V150-P176 WeakPolarHBondContact O-CG 3.39Å
151K96.1Very high97.7Very high142 Ų14252.4 Ų52.462%0.61729%0.292SS*.  trans-101.4-14.7175.5-55-52.4175.7-160.90113.7A148 S149 N177A148-K151 PolarHBondContact O-NZ 3.49Å; S149-K151 WeakPolarHBondContact O-CE 3.31Å; S149-K151 PolarHBondContact O-N 3.19Å; K151-N177 PolarHBondContact O-ND2 3.43Å
152T97.9Very high97.6Very high18 Ų1847.2 Ų47.211%0.1127%0.27CS..SBendtrans-56.2127.3177.2-630000111L121 L128 G130 F131L121-T152 HydrophobicContact CD1-CG2 4.42Å; L128-T152 HydrophobicContact CB-CG2 3.69Å; L128-T152 WeakPolarHBondContact O-CG2 3.31Å; L128-T152 PolarHBondContact O-OG1 2.67Å; G130-T152 VanDerWaalsContact CA-CG2 3.48Å; F131-T152 HydrophobicContact CB-CG2 4.21Å
153P98.4Very high97.4Very high79 Ų7951.5 Ų51.551%0.51330%0.299SS..  trans-61.7136.2173-23.134000111.9G130 F131 N177G130-P153 CarbonylContact C-O 3.54Å; G130-P153 VanDerWaalsContact CA-O 3.3Å; G130-P153 WeakPolarHBondContact CA-O 3.23Å; F131-P153 PolarHBondContact N-O 3.28Å; P153-N177 CarbonylContact C-O 3.59Å; P153-N177 WeakPolarHBondContact CA-O 3.39Å
154A98.8Very high97.3Very high9 Ų951.3 Ų51.37%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-119.9140.5-179.400000112.7F131 L175 N177 H178 R179F131-A154 HydrophobicContact CB-CB 4.47Å; F131-A154 CarbonylContact O-C 3.47Å; F131-A154 WeakPolarHBondContact O-CA 3.49Å; A154-L175 HydrophobicContact CB-CD1 3.9Å; A154-N177 PolarHBondContact N-O 2.92Å; A154-H178 HydrophobicContact CB-CB 4.17Å; A154-H178 CarbonylContact O-C 3.53Å; A154-H178 WeakPolarHBondContact O-CA 3.47Å; A154-R179 PolarHBondContact O-N 3.11Å
155L98.9Very high97.2Very high59 Ų5948.8 Ų48.831%0.30928%0.275SS..EExtended strand (participates in β ladder)trans-115.299.3165.317863.6000108.1F131 V132 P133 V157 R179 L181F131-L155 PolarHBondContact O-N 3.02Å; V132-L155 WeakPolarHBondContact CA-O 3.25Å; V132-L155 HydrophobicContact CG2-CB 4.42Å; P133-L155 WeakPolarHBondContact CD-O 3.23Å; L155-V157 HydrophobicContact CD2-CG2 4.29Å; L155-V157 HydrophobicContact CG-CG2 3.95Å; L155-V157 PolarHBondContact O-N 3.39Å; L155-R179 HydrophobicContact CD1-CB 4.02Å; L155-L181 HydrophobicContact CD1-CB 4.07Å
156I98.8Very high96.9Very high1 Ų146.7 Ų46.71%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-78.5118.4179.3-56.3166000108.3P133 Y158 F169 L172 H178 R179 V180 L181P133-I156 HydrophobicContact CG-CB 4.42Å; P133-I156 HydrophobicContact CG-CG1 4.07Å; I156-Y158 HydrophobicContact CG2-CD1 4.24Å; I156-Y158 HydrophobicContact CG2-CE1 4.47Å; I156-F169 HydrophobicContact CD1-CD2 4.24Å; I156-F169 HydrophobicContact CD1-CE2 4.37Å; I156-F169 HydrophobicContact CG2-CD2 4.26Å; I156-L172 HydrophobicContact CD1-CB 3.68Å; I156-L172 HydrophobicContact CG1-CB 4.17Å; I156-L172 HydrophobicContact CG2-CD1 4.03Å; I156-H178 HydrophobicContact CD1-CB 3.87Å; I156-H178 HydrophobicContact CG1-CB 4.39Å; I156-R179 PolarHBondContact N-O 3.46Å; I156-V180 CarbonylContact O-C 3.56Å; I156-V180 WeakPolarHBondContact O-CA 3.31Å; I156-L181 PolarHBondContact O-N 2.94Å
157V98.8Very high96.8Very high12 Ų1246.9 Ų46.97%0.07327%0.272CS..EExtended strand (participates in β ladder)trans-116.4139.3-178.6-171.10000109.8V132 P133 V134 A135 L155 L181 M183V132-V157 HydrophobicContact CG1-CG2 3.89Å; P133-V157 PolarHBondContact O-N 3.19Å; V134-V157 VanDerWaalsContact CA-O 3.28Å; V134-V157 WeakPolarHBondContact CA-O 3.49Å; V134-V157 HydrophobicContact CG1-CB 4.42Å; V134-V157 HydrophobicContact CG2-CB 4.22Å; A135-V157 PolarHBondContact N-O 3.14Å; L155-V157 HydrophobicContact CD2-CG2 4.29Å; L155-V157 HydrophobicContact CG-CG2 3.95Å; L155-V157 PolarHBondContact O-N 3.39Å; V157-L181 WeakPolarHBondContact CA-O 3.47Å; V157-L181 HydrophobicContact CG1-CD2 4.34Å; V157-L181 HydrophobicContact CG1-CG 4.48Å; V157-L181 HydrophobicContact CG2-CB 4.28Å; V157-L181 HydrophobicContact CG2-CD2 4.36Å; V157-M183 HydrophobicContact CG1-CG 4.21Å; V157-M183 HydrophobicContact CG1-SD 3.76Å
158Y98.6Very high96.8Very high25 Ų2547 Ų4710%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-163158167.558.2-85.5000110.9I156 G165 F169 V180 L181 V182 M183I156-Y158 HydrophobicContact CG2-CD1 4.24Å; I156-Y158 HydrophobicContact CG2-CE1 4.47Å; Y158-G165 VanDerWaalsContact CB-CA 3.5Å; Y158-F169 HydrophobicContact CE1-CB 4.04Å; Y158-F169 HydrophobicContact CE1-CD2 4.36Å; Y158-F169 HydrophobicContact CE1-CG 4.18Å; Y158-V180 HydrophobicContact CE1-CG1 3.77Å; Y158-L181 PolarHBondContact N-O 3.09Å; Y158-V182 HydrophobicContact CD2-CG1 4.4Å; Y158-V182 HydrophobicContact CE1-CG2 4.08Å; Y158-V182 HydrophobicContact CE2-CG1 4.02Å; Y158-V182 HydrophobicContact CE2-CG2 3.94Å; Y158-V182 CarbonylContact O-C 3.52Å; Y158-V182 WeakPolarHBondContact O-CA 3.22Å; Y158-V182 WeakPolarHBondContact OH-CG2 3.38Å; Y158-M183 PolarHBondContact O-N 3.5Å
159G98.4Very high96.9Very high0 Ų046.7 Ų46.70%026%0.262CS..EExtended strand (participates in β ladder)trans-80.5143.4171.700000112.1Q161 D162 M183 A186G159-Q161 PolarHBondContact O-N 3.22Å; G159-D162 WeakPolarHBondContact O-CB 3.47Å; G159-D162 PolarHBondContact O-N 3.16Å; G159-D162 VanDerWaalsContact O-N 3.09Å; G159-M183 WeakPolarHBondContact CA-O 3.46Å; G159-A186 CarbonylContact C-O 3.59Å; G159-A186 VanDerWaalsContact C-O 3.31Å; G159-A186 WeakPolarHBondContact CA-O 3.5Å
160D97.4Very high97Very high68 Ų6848.1 Ų48.136%0.36426%0.261SS..THydrogen-bonded Turntrans-68.4-18.5179.468.9-9.8000113.8V182 M183 G185 A186D160-V182 HydrophobicContact CB-CG1 3.79Å; D160-M183 PolarHBondContact N-O 3Å; D160-M183 VanDerWaalsContact N-O 3.14Å; D160-G185 WeakPolarHBondContact OD1-CA 3.24Å; D160-G185 PolarHBondContact OD1-N 3.48Å; D160-G185 PolarHBondContact OD2-N 2.85Å; D160-A186 PolarHBondContact N-O 3.35Å
161Q97.4Very high97.1Very high127 Ų12750.5 Ų50.559%0.59327%0.272SS*.THydrogen-bonded Turntrans-91.82.9173.8-49.7-51.1-39.100112.8G159 P163 A186G159-Q161 PolarHBondContact O-N 3.22Å; Q161-P163 WeakPolarHBondContact O-CD 3.29Å; Q161-A186 WeakPolarHBondContact CB-O 3.4Å; Q161-A186 PolarHBondContact N-O 3.29Å
162D97.3Very high97.2Very high5 Ų543.8 Ų43.83%0.02724%0.242CC..  trans-92111.9176.2-176.613.6000111.7A135 G159 M164 G165 H188A135-D162 WeakPolarHBondContact CB-OD2 3.4Å; G159-D162 WeakPolarHBondContact O-CB 3.47Å; G159-D162 PolarHBondContact O-N 3.16Å; G159-D162 VanDerWaalsContact O-N 3.09Å; D162-M164 PolarHBondContact O-N 2.98Å; D162-M164 WeakPolarHBondContact OD1-CB 3.27Å; D162-M164 PolarHBondContact OD1-N 2.68Å; D162-G165 PolarHBondContact O-N 3.24Å; D162-G165 PolarHBondContact OD2-N 3.17Å; D162-H188 HydrophobicContact CB-CB 4.38Å; D162-H188 IonicContact OD1-CG 3.91Å; D162-H188 IonicContact OD1-ND1 3.46Å; D162-H188 PolarHBondContact OD1-ND1 3.3Å; D162-H188 IonicContact OD2-CE1 3.78Å; D162-H188 IonicContact OD2-CG 3.63Å; D162-H188 IonicContact OD2-ND1 2.75Å; D162-H188 PolarHBondContact OD2-ND1 3.14Å
163P93.9Very high97.2Very high106 Ų10647.4 Ų47.469%0.68826%0.257SS*.Hα-helixtrans-61.8-27.9174.926.4-34.4000112.7Q161 G165 S167Q161-P163 WeakPolarHBondContact O-CD 3.29Å; P163-G165 VanDerWaalsContact C-N 3.33Å; P163-S167 PolarHBondContact O-N 3.19Å; P163-S167 PolarHBondContact O-OG 2.82Å
164M95Very high97.2Very high76 Ų7646.9 Ų46.937%0.37425%0.247SC..Hα-helixtrans-73.8-24.2175.1-74.8-176.2-82.400113A135 D162 S167 S168 H188A135-M164 HydrophobicContact CB-CB 4.25Å; D162-M164 PolarHBondContact O-N 2.98Å; D162-M164 WeakPolarHBondContact OD1-CB 3.27Å; D162-M164 PolarHBondContact OD1-N 2.68Å; M164-S167 WeakPolarHBondContact CA-OG 3.31Å; M164-S167 PolarHBondContact O-N 3.49Å; M164-S167 PolarHBondContact O-OG 3.49Å; M164-S167 VanDerWaalsContact O-OG 3.14Å; M164-S168 VanDerWaalsContact O-CB 3.27Å; M164-S168 WeakPolarHBondContact O-CB 3.4Å; M164-S168 PolarHBondContact O-N 3.18Å; M164-S168 PolarHBondContact O-OG 3.32Å; M164-H188 WeakPolarHBondContact CE-CE1 3.35Å; M164-H188 WeakPolarHBondContact CE-ND1 3.38Å
165G93.6Very high97.2Very high0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-59.6-52.7176.800000111.2Y158 D162 P163 S168 F169Y158-G165 VanDerWaalsContact CB-CA 3.5Å; D162-G165 PolarHBondContact O-N 3.24Å; D162-G165 PolarHBondContact OD2-N 3.17Å; P163-G165 VanDerWaalsContact C-N 3.33Å; G165-S168 PolarHBondContact O-OG 3.03Å; G165-F169 VanDerWaalsContact O-CB 3.23Å; G165-F169 WeakPolarHBondContact O-CB 3.28Å; G165-F169 PolarHBondContact O-N 3.29Å
166S92.6Very high97.2Very high67 Ų6746.8 Ų46.847%0.46925%0.249SC..Hα-helixtrans-66.6-38.5179.3-68.30000113.3Q170S166-Q170 PolarHBondContact O-N 3.46Å
167S95.4Very high97.1Very high65 Ų6550.7 Ų50.746%0.45527%0.27SS..Hα-helixtrans-70.2-47.6-179.464.30000112.1P163 M164 F169 Q170P163-S167 PolarHBondContact O-N 3.19Å; P163-S167 PolarHBondContact O-OG 2.82Å; M164-S167 WeakPolarHBondContact CA-OG 3.31Å; M164-S167 PolarHBondContact O-N 3.49Å; M164-S167 PolarHBondContact O-OG 3.49Å; M164-S167 VanDerWaalsContact O-OG 3.14Å; S167-F169 VanDerWaalsContact C-N 3.29Å; S167-F169 PolarHBondContact O-N 3.42Å; S167-Q170 PolarHBondContact O-N 3.32Å
168S97.6Very high97.1Very high3 Ų353.2 Ų53.22%0.02128%0.281CS..Hα-helixtrans-63.1-35.9176.262.30000112.1M164 G165 Q170 H171 L172M164-S168 VanDerWaalsContact O-CB 3.27Å; M164-S168 WeakPolarHBondContact O-CB 3.4Å; M164-S168 PolarHBondContact O-N 3.18Å; M164-S168 PolarHBondContact O-OG 3.32Å; G165-S168 PolarHBondContact O-OG 3.03Å; S168-Q170 VanDerWaalsContact C-N 3.31Å; S168-Q170 PolarHBondContact O-N 2.96Å; S168-H171 PolarHBondContact O-N 3.06Å; S168-H171 VanDerWaalsContact O-N 3.16Å; S168-L172 WeakPolarHBondContact O-CG 3.48Å; S168-L172 PolarHBondContact O-N 3.17Å
169F98.2Very high97.1Very high43 Ų4361.3 Ų61.319%0.18931%0.311CS..Hα-helixtrans-60.3-35.2176174.7-114.5000113.5I156 Y158 G165 S167 H171 L172 K173 V180I156-F169 HydrophobicContact CD1-CD2 4.24Å; I156-F169 HydrophobicContact CD1-CE2 4.37Å; I156-F169 HydrophobicContact CG2-CD2 4.26Å; Y158-F169 HydrophobicContact CE1-CB 4.04Å; Y158-F169 HydrophobicContact CE1-CD2 4.36Å; Y158-F169 HydrophobicContact CE1-CG 4.18Å; G165-F169 VanDerWaalsContact O-CB 3.23Å; G165-F169 WeakPolarHBondContact O-CB 3.28Å; G165-F169 PolarHBondContact O-N 3.29Å; S167-F169 VanDerWaalsContact C-N 3.29Å; S167-F169 PolarHBondContact O-N 3.42Å; F169-H171 PolarHBondContact O-N 3.46Å; F169-H171 VanDerWaalsContact O-N 3.14Å; F169-L172 PolarHBondContact O-N 3.12Å; F169-K173 HydrophobicContact CD2-CB 4.24Å; F169-K173 HydrophobicContact CE1-CD 4.41Å; F169-K173 HydrophobicContact CE2-CB 3.72Å; F169-K173 HydrophobicContact CZ-CB 3.92Å; F169-K173 HydrophobicContact CZ-CD 4.45Å; F169-K173 WeakPolarHBondContact O-CB 3.45Å; F169-K173 WeakPolarHBondContact O-CG 3.37Å; F169-K173 PolarHBondContact O-N 3.08Å; F169-V180 HydrophobicContact CD2-CG2 4.31Å; F169-V180 HydrophobicContact CE2-CG1 4.49Å; F169-V180 HydrophobicContact CE2-CG2 3.53Å; F169-V180 HydrophobicContact CZ-CG2 4.14Å
170Q97.9Very high97.1Very high96 Ų9664 Ų6445%0.44933%0.328SS..Hα-helixtrans-58.6-29.8177.9-66.5-51.3-45.200112.8S166 S167 S168 K173S166-Q170 PolarHBondContact O-N 3.46Å; S167-Q170 PolarHBondContact O-N 3.32Å; S168-Q170 VanDerWaalsContact C-N 3.31Å; S168-Q170 PolarHBondContact O-N 2.96Å; Q170-K173 WeakPolarHBondContact O-CE 3.44Å
171H98.3Very high97.2Very high60 Ų6064.8 Ų64.828%0.27833%0.332SS..Hα-helixtrans-87.3-50.4175.1-60.1-68.8000111.2Y147 S168 F169 K173 Q174Y147-H171 HydrophobicContact CE2-CB 4.16Å; S168-H171 PolarHBondContact O-N 3.06Å; S168-H171 VanDerWaalsContact O-N 3.16Å; F169-H171 PolarHBondContact O-N 3.46Å; F169-H171 VanDerWaalsContact O-N 3.14Å; H171-K173 VanDerWaalsContact C-N 3.26Å; H171-K173 PolarHBondContact O-N 3.48Å; H171-Q174 VanDerWaalsContact O-CB 3.28Å; H171-Q174 WeakPolarHBondContact O-CB 3.35Å; H171-Q174 VanDerWaalsContact O-CG 3.31Å; H171-Q174 WeakPolarHBondContact O-CG 3.47Å; H171-Q174 PolarHBondContact O-N 3.22Å; H171-Q174 VanDerWaalsContact O-N 3.08Å; H171-Q174 PolarHBondContact O-NE2 2.95Å
172L98.5Very high97.2Very high0 Ų061.7 Ų61.70%032%0.321CS..Hα-helixtrans-63.4-26-174.4-67.9171.2000114.2L118 F131 P133 P136 T139 Y147 I156 S168 F169 Q174 L175L118-L172 HydrophobicContact CD2-CD2 4.24Å; F131-L172 HydrophobicContact CE1-CD2 4.45Å; P133-L172 HydrophobicContact CB-CD1 3.86Å; P133-L172 HydrophobicContact CB-CD2 4.48Å; P133-L172 HydrophobicContact CG-CD1 3.87Å; P133-L172 HydrophobicContact CG-CD2 4.35Å; P136-L172 HydrophobicContact CG-CD1 3.95Å; T139-L172 HydrophobicContact CG2-CD1 4.23Å; T139-L172 HydrophobicContact CG2-CD2 3.98Å; T139-L172 HydrophobicContact CG2-CG 3.91Å; Y147-L172 HydrophobicContact CE1-CD2 4.17Å; I156-L172 HydrophobicContact CD1-CB 3.68Å; I156-L172 HydrophobicContact CG1-CB 4.17Å; I156-L172 HydrophobicContact CG2-CD1 4.03Å; S168-L172 WeakPolarHBondContact O-CG 3.48Å; S168-L172 PolarHBondContact O-N 3.17Å; F169-L172 PolarHBondContact O-N 3.12Å; L172-Q174 PolarHBondContact O-N 3.41Å; L172-L175 HydrophobicContact CD2-CD1 4.14Å; L172-L175 VanDerWaalsContact O-CB 3.29Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 WeakPolarHBondContact O-CG 3.29Å; L172-L175 PolarHBondContact O-N 3.14Å
173K98.1Very high97.3Very high95 Ų9563 Ų6341%0.41333%0.328SS..THydrogen-bonded Turntrans-61.8-12.1174.873.7-175.2-174.8-1770113.9F169 Q170 H171 L175 H178F169-K173 HydrophobicContact CD2-CB 4.24Å; F169-K173 HydrophobicContact CE1-CD 4.41Å; F169-K173 HydrophobicContact CE2-CB 3.72Å; F169-K173 HydrophobicContact CZ-CB 3.92Å; F169-K173 HydrophobicContact CZ-CD 4.45Å; F169-K173 WeakPolarHBondContact O-CB 3.45Å; F169-K173 WeakPolarHBondContact O-CG 3.37Å; F169-K173 PolarHBondContact O-N 3.08Å; Q170-K173 WeakPolarHBondContact O-CE 3.44Å; H171-K173 VanDerWaalsContact C-N 3.26Å; H171-K173 PolarHBondContact O-N 3.48Å; K173-L175 VanDerWaalsContact C-N 3.26Å; K173-H178 PolarHBondContact O-CE1 2.82Å
174Q98.4Very high97.4Very high68 Ų6865.6 Ų65.632%0.31833%0.33SS..THydrogen-bonded Turntrans-76.7-12.7174.5-61.7176.471.300112.7Y147 H171 L172 P176Y147-Q174 HydrophobicContact CD2-CB 4.35Å; Y147-Q174 HydrophobicContact CG-CB 4.28Å; H171-Q174 VanDerWaalsContact O-CB 3.28Å; H171-Q174 WeakPolarHBondContact O-CB 3.35Å; H171-Q174 VanDerWaalsContact O-CG 3.31Å; H171-Q174 WeakPolarHBondContact O-CG 3.47Å; H171-Q174 PolarHBondContact O-N 3.22Å; H171-Q174 VanDerWaalsContact O-N 3.08Å; H171-Q174 PolarHBondContact O-NE2 2.95Å; L172-Q174 PolarHBondContact O-N 3.41Å; Q174-P176 WeakPolarHBondContact O-CD 3.44Å
175L98.4Very high97.6Very high4 Ų464.5 Ų64.52%0.02134%0.338CS..SBendtrans-63.3122.9170.3-71.7166.7000109.5L121 F131 Y147 V150 A154 L172 K173 N177 H178L121-L175 HydrophobicContact CD2-CD2 4.11Å; F131-L175 HydrophobicContact CD1-CD1 4.39Å; Y147-L175 HydrophobicContact CD1-CD2 3.74Å; Y147-L175 HydrophobicContact CD1-CG 3.91Å; Y147-L175 HydrophobicContact CE1-CD2 4.4Å; Y147-L175 HydrophobicContact CE1-CG 4.4Å; V150-L175 HydrophobicContact CB-CD2 3.73Å; V150-L175 HydrophobicContact CG1-CD2 3.76Å; V150-L175 HydrophobicContact CG2-CD2 4.07Å; A154-L175 HydrophobicContact CB-CD1 3.9Å; L172-L175 HydrophobicContact CD2-CD1 4.14Å; L172-L175 VanDerWaalsContact O-CB 3.29Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 WeakPolarHBondContact O-CG 3.29Å; L172-L175 PolarHBondContact O-N 3.14Å; K173-L175 VanDerWaalsContact C-N 3.26Å; L175-N177 VanDerWaalsContact C-N 3.32Å; L175-N177 PolarHBondContact O-N 2.83Å; L175-H178 HydrophobicContact CB-CB 4.35Å; L175-H178 PolarHBondContact O-ND1 2.97Å
176P97.8Very high97.8Very high62 Ų6264.5 Ų64.540%0.40334%0.338SS..SBendtrans-60.1-38.3-173.8-26.232.6000114.4Y147 A148 V150 Q174Y147-P176 WeakPolarHBondContact O-CD 3.49Å; A148-P176 VanDerWaalsContact O-CG 3.3Å; A148-P176 WeakPolarHBondContact O-CG 3.37Å; V150-P176 VanDerWaalsContact O-CD 3.31Å; V150-P176 WeakPolarHBondContact O-CD 3.31Å; V150-P176 WeakPolarHBondContact O-CG 3.39Å; Q174-P176 WeakPolarHBondContact O-CD 3.44Å
177N98Very high98Very high82 Ų8262.3 Ų62.344%0.43933%0.326SS..SBendtrans-111.767.4-171-62.9-32000110.6K151 P153 A154 L175K151-N177 PolarHBondContact O-ND2 3.43Å; P153-N177 CarbonylContact C-O 3.59Å; P153-N177 WeakPolarHBondContact CA-O 3.39Å; A154-N177 PolarHBondContact N-O 2.92Å; L175-N177 VanDerWaalsContact C-N 3.32Å; L175-N177 PolarHBondContact O-N 2.83Å
178H98.7Very high98Very high66 Ų6660.9 Ų60.931%0.30631%0.312SS..EExtended strand (participates in β ladder)trans-117.9151.3-177.372.8-85.8000113.8A154 I156 K173 L175A154-H178 HydrophobicContact CB-CB 4.17Å; A154-H178 CarbonylContact O-C 3.53Å; A154-H178 WeakPolarHBondContact O-CA 3.47Å; I156-H178 HydrophobicContact CD1-CB 3.87Å; I156-H178 HydrophobicContact CG1-CB 4.39Å; K173-H178 PolarHBondContact O-CE1 2.82Å; L175-H178 HydrophobicContact CB-CB 4.35Å; L175-H178 PolarHBondContact O-ND1 2.97Å
179R98.8Very high97.9Very high194 Ų19461.8 Ų61.873%0.73232%0.318SS*.EExtended strand (participates in β ladder)trans-120.8156.7160.8-69.6174.361.3-160.1-2.2108.6A154 L155 I156A154-R179 PolarHBondContact O-N 3.11Å; L155-R179 HydrophobicContact CD1-CB 4.02Å; I156-R179 PolarHBondContact N-O 3.46Å
180V98.6Very high97.8Very high58 Ų5859.8 Ų59.835%0.35231%0.309SS..EExtended strand (participates in β ladder)trans-116.7136.5178.6-170.80000109.3I156 Y158 F169 V182I156-V180 CarbonylContact O-C 3.56Å; I156-V180 WeakPolarHBondContact O-CA 3.31Å; Y158-V180 HydrophobicContact CE1-CG1 3.77Å; F169-V180 HydrophobicContact CD2-CG2 4.31Å; F169-V180 HydrophobicContact CE2-CG1 4.49Å; F169-V180 HydrophobicContact CE2-CG2 3.53Å; F169-V180 HydrophobicContact CZ-CG2 4.14Å; V180-V182 HydrophobicContact CG1-CG2 3.9Å
181L98.6Very high97.7Very high84 Ų8456.5 Ų56.544%0.4429%0.293SS..EExtended strand (participates in β ladder)trans-126.1102170.5176.163.9000108.3L155 I156 V157 Y158L155-L181 HydrophobicContact CD1-CB 4.07Å; I156-L181 PolarHBondContact O-N 2.94Å; V157-L181 WeakPolarHBondContact CA-O 3.47Å; V157-L181 HydrophobicContact CG1-CD2 4.34Å; V157-L181 HydrophobicContact CG1-CG 4.48Å; V157-L181 HydrophobicContact CG2-CB 4.28Å; V157-L181 HydrophobicContact CG2-CD2 4.36Å; Y158-L181 PolarHBondContact N-O 3.09Å
182V98.3Very high97.6Very high61 Ų6157 Ų5737%0.3730%0.297SS..EExtended strand (participates in β ladder)trans-88.9126.9172.6-171.90000108.3Y158 D160 V180Y158-V182 HydrophobicContact CD2-CG1 4.4Å; Y158-V182 HydrophobicContact CE1-CG2 4.08Å; Y158-V182 HydrophobicContact CE2-CG1 4.02Å; Y158-V182 HydrophobicContact CE2-CG2 3.94Å; Y158-V182 CarbonylContact O-C 3.52Å; Y158-V182 WeakPolarHBondContact O-CA 3.22Å; Y158-V182 WeakPolarHBondContact OH-CG2 3.38Å; D160-V182 HydrophobicContact CB-CG1 3.79Å; V180-V182 HydrophobicContact CG1-CG2 3.9Å
183M97.9Very high97.3Very high34 Ų3460.9 Ų60.917%0.16732%0.318CS..EExtended strand (participates in β ladder)trans-95104179.3-63.6179.668.300109.3V157 Y158 G159 D160 G185 A186 C190 K194V157-M183 HydrophobicContact CG1-CG 4.21Å; V157-M183 HydrophobicContact CG1-SD 3.76Å; Y158-M183 PolarHBondContact O-N 3.5Å; G159-M183 WeakPolarHBondContact CA-O 3.46Å; D160-M183 PolarHBondContact N-O 3Å; D160-M183 VanDerWaalsContact N-O 3.14Å; M183-G185 PolarHBondContact O-N 3.35Å; M183-A186 HydrophobicContact CB-CB 3.75Å; M183-A186 WeakPolarHBondContact O-CB 3.45Å; M183-A186 PolarHBondContact O-N 3.33Å; M183-C190 HydrophobicContact CB-CB 4.21Å; M183-C190 HydrophobicContact CE-CB 4.35Å; M183-C190 VanDerWaalsContact CE-O 3.23Å; M183-C190 WeakPolarHBondContact CE-O 3.21Å; M183-C190 HydrophobicContact CG-CB 4.48Å; M183-C190 HydrophobicContact SD-CB 3.71Å; M183-C190 PolarHBondContact SD-SG 3.11Å; M183-K194 HydrophobicContact CE-CB 3.55Å; M183-K194 HydrophobicContact CE-CG 4.06Å
184E97.6Very high96.5Very high160 Ų16064.9 Ų64.975%0.74834%0.336SS*.THydrogen-bonded Turntrans-63.2130.8-177.7-68-177.7178.600112.2A186 K194E184-A186 PolarHBondContact O-N 3.49Å; E184-K194 VanDerWaalsContact O-CE 3.28Å; E184-K194 WeakPolarHBondContact O-CE 3.34Å
185G97.6Very high96.4Very high52 Ų5264.7 Ų64.754%0.53634%0.336SS..THydrogen-bonded Turntrans70.414.3-178.400000114.6D160 M183D160-G185 WeakPolarHBondContact OD1-CA 3.24Å; D160-G185 PolarHBondContact OD1-N 3.48Å; D160-G185 PolarHBondContact OD2-N 2.85Å; M183-G185 PolarHBondContact O-N 3.35Å
186A97.8Very high96.3Very high0 Ų067.9 Ų67.90%035%0.353CS..  trans-103.714717900000111.5G159 D160 Q161 M183 E184 C190 D193 K194G159-A186 CarbonylContact C-O 3.59Å; G159-A186 VanDerWaalsContact C-O 3.31Å; G159-A186 WeakPolarHBondContact CA-O 3.5Å; D160-A186 PolarHBondContact N-O 3.35Å; Q161-A186 WeakPolarHBondContact CB-O 3.4Å; Q161-A186 PolarHBondContact N-O 3.29Å; M183-A186 HydrophobicContact CB-CB 3.75Å; M183-A186 WeakPolarHBondContact O-CB 3.45Å; M183-A186 PolarHBondContact O-N 3.33Å; E184-A186 PolarHBondContact O-N 3.49Å; A186-C190 HydrophobicContact CB-CB 3.6Å; A186-D193 HydrophobicContact CB-CB 3.96Å; A186-K194 HydrophobicContact CB-CG 4.49Å
187G97.1Very high96.2Very high21 Ų2168.2 Ų68.222%0.21635%0.35CS..  trans-92.1-154.4177.800000113C190 D193G187-C190 WeakPolarHBondContact O-CB 3.35Å; G187-C190 PolarHBondContact O-N 3.42Å; G187-D193 PolarHBondContact N-OD2 2.74Å
188H97Very high96.1Very high35 Ų3567.4 Ų67.416%0.16235%0.345CS..THydrogen-bonded Turntrans-63-50-176.1-177.260.4000114.4S111 D162 M164 C190S111-H188 WeakPolarHBondContact CB-NE2 3.47Å; S111-H188 PolarHBondContact OG-NE2 3.06Å; D162-H188 HydrophobicContact CB-CB 4.38Å; D162-H188 IonicContact OD1-CG 3.91Å; D162-H188 IonicContact OD1-ND1 3.46Å; D162-H188 PolarHBondContact OD1-ND1 3.3Å; D162-H188 IonicContact OD2-CE1 3.78Å; D162-H188 IonicContact OD2-CG 3.63Å; D162-H188 IonicContact OD2-ND1 2.75Å; D162-H188 PolarHBondContact OD2-ND1 3.14Å; M164-H188 WeakPolarHBondContact CE-CE1 3.35Å; M164-H188 WeakPolarHBondContact CE-ND1 3.38Å; H188-C190 PolarHBondContact O-N 3.37Å
189P95Very high95.9Very high22 Ų2267.5 Ų67.514%0.14335%0.348CS..THydrogen-bonded Turntrans-83.459.4170.237.1-35.5000110.5F43 Y191 L192F43-P189 HydrophobicContact CE2-CB 3.85Å; F43-P189 HydrophobicContact CZ-CB 3.87Å; F43-P189 HydrophobicContact CZ-CG 4.27Å; P189-Y191 HydrophobicContact CB-CE1 4.43Å; P189-Y191 HydrophobicContact CB-CE2 4.46Å; P189-Y191 PolarHBondContact O-N 3.3Å; P189-L192 HydrophobicContact CB-CD1 4.01Å; P189-L192 HydrophobicContact CB-CG 4.3Å; P189-L192 HydrophobicContact CG-CD1 4.47Å; P189-L192 WeakPolarHBondContact O-CB 3.14Å; P189-L192 PolarHBondContact O-N 3.3Å
190C96.1Very high95.7Very high1 Ų159.1 Ų59.11%0.00732%0.322CS..Hα-helixtrans-55.6-27.6-169.859.30000114.8V134 M183 A186 G187 H188 L192 D193 K194V134-C190 WeakPolarHBondContact CG1-SG 3.17Å; M183-C190 HydrophobicContact CB-CB 4.21Å; M183-C190 HydrophobicContact CE-CB 4.35Å; M183-C190 VanDerWaalsContact CE-O 3.23Å; M183-C190 WeakPolarHBondContact CE-O 3.21Å; M183-C190 HydrophobicContact CG-CB 4.48Å; M183-C190 HydrophobicContact SD-CB 3.71Å; M183-C190 PolarHBondContact SD-SG 3.11Å; A186-C190 HydrophobicContact CB-CB 3.6Å; G187-C190 WeakPolarHBondContact O-CB 3.35Å; G187-C190 PolarHBondContact O-N 3.42Å; H188-C190 PolarHBondContact O-N 3.37Å; C190-L192 PolarHBondContact O-N 3.3Å; C190-D193 PolarHBondContact O-N 3.22Å; C190-D193 VanDerWaalsContact O-N 3.12Å; C190-K194 PolarHBondContact O-N 3.28Å
191Y95.4Very high95.5Very high28 Ų2859.1 Ų59.111%0.1132%0.32CS..Hα-helixtrans-69.1-10.3174.752.2-93.7000114.5W48 L51 P110 V134 P189W48-Y191 HydrophobicContact CH2-CD1 4.22Å; W48-Y191 AromaticContact CH2-CD2 3.88Å; W48-Y191 HydrophobicContact CH2-CD2 3.88Å; W48-Y191 HydrophobicContact CH2-CE1 4.43Å; W48-Y191 HydrophobicContact CH2-CE2 4.09Å; W48-Y191 AromaticContact CH2-CG 3.95Å; W48-Y191 HydrophobicContact CH2-CG 3.95Å; W48-Y191 AromaticContact CZ3-CD2 3.91Å; W48-Y191 HydrophobicContact CZ3-CD2 3.91Å; W48-Y191 HydrophobicContact CZ3-CE2 4.39Å; W48-Y191 HydrophobicContact CZ3-CG 4.17Å; L51-Y191 HydrophobicContact CD2-CD2 4.13Å; L51-Y191 WeakPolarHBondContact CD2-O 3.37Å; P110-Y191 HydrophobicContact CB-CE1 3.8Å; P110-Y191 HydrophobicContact CG-CE1 4.45Å; V134-Y191 HydrophobicContact CG1-CD1 4.11Å; V134-Y191 HydrophobicContact CG1-CE1 4.3Å; P189-Y191 HydrophobicContact CB-CE1 4.43Å; P189-Y191 HydrophobicContact CB-CE2 4.46Å; P189-Y191 PolarHBondContact O-N 3.3Å
192L95.6Very high95.3Very high69 Ų6957.2 Ų57.236%0.36131%0.311SS..Hα-helixtrans-94.6-17.7170.7-62.4-179.5000112.3F43 T47 L51 P189 C190F43-L192 HydrophobicContact CD1-CD1 4.33Å; F43-L192 HydrophobicContact CE1-CD1 3.53Å; F43-L192 HydrophobicContact CZ-CD1 3.67Å; T47-L192 HydrophobicContact CG2-CD1 4.44Å; T47-L192 HydrophobicContact CG2-CD2 3.98Å; L51-L192 HydrophobicContact CD1-CD2 4.18Å; L51-L192 HydrophobicContact CD2-CD2 4.13Å; P189-L192 HydrophobicContact CB-CD1 4.01Å; P189-L192 HydrophobicContact CB-CG 4.3Å; P189-L192 HydrophobicContact CG-CD1 4.47Å; P189-L192 WeakPolarHBondContact O-CB 3.14Å; P189-L192 PolarHBondContact O-N 3.3Å; C190-L192 PolarHBondContact O-N 3.3Å
193D93.3Very high95Very high83 Ų8356.9 Ų56.944%0.44431%0.306SS..Hα-helixtrans-89.1-26.2-176.3-61.1-35.8000112.7A186 G187 C190A186-D193 HydrophobicContact CB-CB 3.96Å; G187-D193 PolarHBondContact N-OD2 2.74Å; C190-D193 PolarHBondContact O-N 3.22Å; C190-D193 VanDerWaalsContact O-N 3.12Å
194K80.3Confident94.8Very high178 Ų17859 Ų5977%0.77432%0.318SS*.  trans-1430-176.2-53.2-72.5-176.11760111M183 E184 A186 C190M183-K194 HydrophobicContact CE-CB 3.55Å; M183-K194 HydrophobicContact CE-CG 4.06Å; E184-K194 VanDerWaalsContact O-CE 3.28Å; E184-K194 WeakPolarHBondContact O-CE 3.34Å; A186-K194 HydrophobicContact CB-CG 4.49Å; C190-K194 PolarHBondContact O-N 3.28Å

Retrieved 194 of 194 residues in 327.9 ms (Link to these results)

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