A0A087YEB1_POEFO Loading...

Pleckstrin homology domain containing, family B (evectins) member 2

AlphaFold DB , UniProt , Accession A0A087YEB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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
1M72.4Confident92.2Very high175 Ų17557.3 Ų57.386%0.86232%0.319SS*.  0126.20-62.5171.194.400106.7W27 D29M1-W27 HydrophobicContact CB-CE3 3.94Å; M1-W27 HydrophobicContact CB-CZ3 4.04Å; M1-D29 HydrophobicContact CE-CB 4.47Å; M1-D29 WeakPolarHBondContact CE-OD2 3.45Å
2A89.7Confident92.2Very high63 Ų6354.3 Ų54.352%0.52130%0.301SS..  trans-101144.3-17700000110.3A28A2-A28 HydrophobicContact CB-CB 4.38Å; A2-A28 WeakPolarHBondContact O-CB 2.91Å; A2-A28 PolarHBondContact O-N 3.21Å
3V92.5Very high92Very high53 Ų5351.4 Ų51.432%0.32129%0.286SS..EExtended strand (participates in β ladder)trans-86.2127.9171.6177.80000108W27V3-W27 HydrophobicContact CG2-CD2 4.04Å; V3-W27 HydrophobicContact CG2-CE3 3.73Å; V3-W27 HydrophobicContact CG2-CH2 3.78Å; V3-W27 HydrophobicContact CG2-CZ2 4.07Å; V3-W27 HydrophobicContact CG2-CZ3 3.6Å
4V93.5Very high91.2Very high85 Ų8555.6 Ų55.652%0.51531%0.314SS..EExtended strand (participates in β ladder)trans-82.9-45.1176.8175.40000110.4L26 A28V4-L26 HydrophobicContact CB-CG 4.45Å; V4-L26 HydrophobicContact CG1-CD2 4.47Å; V4-L26 PolarHBondContact N-O 3.25Å; V4-A28 HydrophobicContact CG2-CB 3.89Å
5K94.7Very high90.7Very high57 Ų5762 Ų6225%0.24835%0.345CS..EExtended strand (participates in β ladder)trans-150.6139.2-179.9-170.9175.6174.974.30109.7L26 W100 A103K5-L26 HydrophobicContact CB-CB 4.44Å; K5-L26 PolarHBondContact N-O 3.33Å; K5-L26 PolarHBondContact O-N 2.81Å; K5-W100 HydrophobicContact CB-CH2 4.32Å; K5-W100 HydrophobicContact CB-CZ3 4.24Å; K5-W100 HydrophobicContact CD-CD2 3.75Å; K5-W100 HydrophobicContact CD-CE3 3.77Å; K5-W100 HydrophobicContact CD-CG 4.34Å; K5-W100 HydrophobicContact CD-CH2 4.17Å; K5-W100 HydrophobicContact CD-CZ2 4.15Å; K5-W100 HydrophobicContact CD-CZ3 3.98Å; K5-W100 HydrophobicContact CG-CD2 4.48Å; K5-W100 HydrophobicContact CG-CE3 4.33Å; K5-W100 HydrophobicContact CG-CH2 3.86Å; K5-W100 HydrophobicContact CG-CZ2 4.01Å; K5-W100 HydrophobicContact CG-CZ3 4.03Å; K5-A103 HydrophobicContact CD-CB 4.13Å
6S95.6Very high90.4Very high58 Ų5865.6 Ų65.641%0.40636%0.363SS..EExtended strand (participates in β ladder)trans-134.7147.7174.160.80000110.6F24 D25S6-F24 CarbonylContact C-O 3.54Å; S6-F24 WeakPolarHBondContact CA-O 3.32Å; S6-D25 WeakPolarHBondContact CB-OD1 3.48Å
7G95.8Very high90.2Very high12 Ų1271.1 Ų71.112%0.12438%0.376CS..EExtended strand (participates in β ladder)trans169.2173.817500000114.2F24G7-F24 PolarHBondContact N-O 2.98Å; G7-F24 PolarHBondContact O-N 2.95Å
8W95.4Very high90.2Very high61 Ų6176.8 Ų76.823%0.23139%0.392CS..EExtended strand (participates in β ladder)trans-79.2135.5176.5-68.4102.8000111.2R21 N22 W23 Q38W8-R21 HydrophobicContact CB-CG 4.4Å; W8-R21 HydrophobicContact CD2-CG 4.34Å; W8-R21 HydrophobicContact CE3-CG 3.72Å; W8-R21 VanDerWaalsContact CG-CZ 3.49Å; W8-R21 HydrophobicContact CZ3-CG 4.35Å; W8-N22 WeakPolarHBondContact CA-O 3.22Å; W8-W23 AromaticContact CD1-CE3 3.67Å; W8-W23 AromaticContact CD1-CZ3 3.53Å; W8-W23 AromaticContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CZ3 4.42Å; W8-W23 AromaticContact CE2-CE3 3.59Å; W8-W23 HydrophobicContact CE3-CB 4.32Å; W8-W23 HydrophobicContact CE3-CE3 4.48Å; W8-W23 AromaticContact CG-CE3 3.86Å; W8-W23 HydrophobicContact CG-CE3 3.86Å; W8-W23 HydrophobicContact CG-CZ3 4.13Å; W8-W23 HydrophobicContact CZ2-CE3 4.2Å; W8-W23 HydrophobicContact CZ3-CB 4.24Å; W8-W23 AromaticContact NE1-CE3 3.48Å; W8-W23 AromaticContact NE1-CZ3 3.47Å; W8-Q38 HydrophobicContact CZ2-CB 3.98Å
9L95.6Very high90.3Very high2 Ų275.6 Ų75.61%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-136.4151.7166.3-64.8171.4000109N22 F24 F77 L89 A91 W100L9-N22 PolarHBondContact N-O 3.38Å; L9-N22 PolarHBondContact O-N 3.16Å; L9-F24 HydrophobicContact CB-CD2 3.6Å; L9-F24 HydrophobicContact CB-CE2 3.59Å; L9-F24 HydrophobicContact CB-CG 4.45Å; L9-F24 HydrophobicContact CB-CZ 4.43Å; L9-F24 HydrophobicContact CD1-CB 4.33Å; L9-F24 HydrophobicContact CD1-CD1 4.26Å; L9-F24 HydrophobicContact CD1-CD2 3.9Å; L9-F24 HydrophobicContact CD1-CE2 4.27Å; L9-F24 HydrophobicContact CD1-CG 3.9Å; L9-F24 HydrophobicContact CG-CD2 4.03Å; L9-F24 HydrophobicContact CG-CE2 4.42Å; L9-F24 HydrophobicContact CG-CG 4.45Å; L9-F77 HydrophobicContact CD1-CZ 3.89Å; L9-F77 HydrophobicContact CD2-CE1 4.27Å; L9-F77 HydrophobicContact CD2-CZ 4.31Å; L9-L89 HydrophobicContact CD1-CD1 4.34Å; L9-A91 HydrophobicContact CD2-CB 3.71Å; L9-W100 HydrophobicContact CD1-CD2 3.93Å; L9-W100 HydrophobicContact CD1-CE3 4.35Å; L9-W100 HydrophobicContact CD1-CG 4.2Å; L9-W100 HydrophobicContact CD1-CZ2 4.31Å; L9-W100 HydrophobicContact CD2-CG 4.25Å; L9-W100 HydrophobicContact CG-CZ2 4.44Å
10H94.5Very high90.4Very high34 Ų3477.2 Ų77.216%0.15739%0.386CS..EExtended strand (participates in β ladder)trans-87.2126.5168.9-60.479.4000108.9W19 K20 P68 L89 C90 D92H10-W19 HydrophobicContact CB-CE3 3.83Å; H10-W19 HydrophobicContact CB-CZ3 4.48Å; H10-W19 WeakPolarHBondContact O-CZ3 3.46Å; H10-K20 CarbonylContact C-O 3.56Å; H10-K20 WeakPolarHBondContact CA-O 3.4Å; H10-P68 HydrophobicContact CB-CG 4.22Å; H10-L89 CarbonylContact O-C 3.42Å; H10-L89 VanDerWaalsContact O-CA 3.24Å; H10-L89 WeakPolarHBondContact O-CA 3.39Å; H10-C90 HydrophobicContact CB-CB 4.11Å; H10-C90 PolarHBondContact N-O 2.75Å; H10-C90 PolarHBondContact O-N 3.39Å; H10-D92 IonicContact CE1-OD1 3.97Å
11R94.2Very high90.6Very high30 Ų3079.2 Ų79.211%0.11339%0.39CS..EExtended strand (participates in β ladder)trans-106.9135.7175.9-169.8-173.273.878.7-6109.9W19 K20 F24 F34 E44 I87 L89R11-W19 CarbonylContact O-C 3.39Å; R11-W19 WeakPolarHBondContact O-CA 3.41Å; R11-K20 PolarHBondContact N-O 2.97Å; R11-K20 PolarHBondContact O-N 2.94Å; R11-F24 HydrophobicContact CB-CZ 4.27Å; R11-F34 VanDerWaalsContact CD-CE2 3.48Å; R11-E44 IonicContact CZ-OE1 3.57Å; R11-E44 IonicContact CZ-OE2 3.68Å; R11-E44 IonicContact NE-OE1 3.74Å; R11-E44 IonicContact NE-OE2 3.08Å; R11-E44 PolarHBondContact NE-OE2 3.13Å; R11-E44 VanDerWaalsContact NE-OE2 3.08Å; R11-E44 VanDerWaalsContact NH2-CD 3.28Å; R11-E44 IonicContact NH2-OE1 2.65Å; R11-E44 PolarHBondContact NH2-OE1 3.18Å; R11-E44 IonicContact NH2-OE2 3.48Å; R11-E44 PolarHBondContact NH2-OE2 3.03Å; R11-I87 HydrophobicContact CG-CG2 4.18Å; R11-L89 HydrophobicContact CB-CD2 3.97Å; R11-L89 HydrophobicContact CG-CD2 3.92Å
12Q93.1Very high91.6Very high22 Ų2271 Ų7110%0.10335%0.349CS..EExtended strand (participates in β ladder)trans-83.7128.1171.8-157.9179.41300110.3R17 W19 L65 S88Q12-R17 WeakPolarHBondContact CG-O 3.43Å; Q12-R17 PolarHBondContact NE2-O 3.07Å; Q12-W19 HydrophobicContact CB-CD2 4.2Å; Q12-W19 HydrophobicContact CB-CE3 4.01Å; Q12-W19 HydrophobicContact CB-CH2 4.11Å; Q12-W19 HydrophobicContact CB-CZ2 4.29Å; Q12-W19 HydrophobicContact CB-CZ3 3.97Å; Q12-W19 HydrophobicContact CG-CD2 4.38Å; Q12-W19 HydrophobicContact CG-CZ2 4.47Å; Q12-L65 VanDerWaalsContact OE1-CD2 3.26Å; Q12-S88 PolarHBondContact N-O 2.78Å; Q12-S88 PolarHBondContact OE1-OG 2.81Å
13S88.8Confident91.9Very high16 Ų1669 Ų6911%0.11233%0.328CS..  trans-66.6143.1170.954.60000111.4R17 R18S13-R17 VanDerWaalsContact O-CA 3.24Å; S13-R17 WeakPolarHBondContact O-CA 3.48Å; S13-R17 PolarHBondContact O-N 3.43Å; S13-R17 PolarHBondContact OG-N 3.33Å; S13-R18 PolarHBondContact N-O 2.94Å; S13-R18 PolarHBondContact OG-N 3.16Å; S13-R18 PolarHBondContact OG-O 3.37Å
14T81.5Confident92.1Very high110 Ų11066.5 Ų66.568%0.67531%0.313SS*.THydrogen-bonded Turntrans-74.7-34.3-176.648.20000112.9
15I83.7Confident92.2Very high152 Ų15262.4 Ų62.478%0.77929%0.288SS*.THydrogen-bonded Turntrans-87.4-55.7-175.9-58.4170.5000111.3
16L85.1Confident92.2Very high119 Ų11959.8 Ų59.862%0.62328%0.277SS*.THydrogen-bonded Turntrans-91.4-5-172.8-63.6174.9000113.4R18L16-R18 HydrophobicContact CB-CG 4.07Å; L16-R18 PolarHBondContact O-N 2.85Å
17R86.8Confident92.2Very high159 Ų15959.5 Ų59.560%0.627%0.267SS*.  trans53.218.8-176.7-58.8-173.6104.8-154.46.2114.7Q12 S13Q12-R17 WeakPolarHBondContact CG-O 3.43Å; Q12-R17 PolarHBondContact NE2-O 3.07Å; S13-R17 VanDerWaalsContact O-CA 3.24Å; S13-R17 WeakPolarHBondContact O-CA 3.48Å; S13-R17 PolarHBondContact O-N 3.43Å; S13-R17 PolarHBondContact OG-N 3.33Å
18R90.6Very high92Very high175 Ų17561.5 Ų61.566%0.6628%0.282SS*.  trans-82.6143.3175.9-63.6-178.9-175.7-157.5-0.4110.8S13 L16S13-R18 PolarHBondContact N-O 2.94Å; S13-R18 PolarHBondContact OG-N 3.16Å; S13-R18 PolarHBondContact OG-O 3.37Å; L16-R18 HydrophobicContact CB-CG 4.07Å; L16-R18 PolarHBondContact O-N 2.85Å
19W92.7Very high91.7Very high53 Ų5360.4 Ų60.420%0.20128%0.281CS..EExtended strand (participates in β ladder)trans-81.1131.1172.3-66.7100.2000110.5H10 R11 Q12 N66 P68 L76 C90H10-W19 HydrophobicContact CB-CE3 3.83Å; H10-W19 HydrophobicContact CB-CZ3 4.48Å; H10-W19 WeakPolarHBondContact O-CZ3 3.46Å; R11-W19 CarbonylContact O-C 3.39Å; R11-W19 WeakPolarHBondContact O-CA 3.41Å; Q12-W19 HydrophobicContact CB-CD2 4.2Å; Q12-W19 HydrophobicContact CB-CE3 4.01Å; Q12-W19 HydrophobicContact CB-CH2 4.11Å; Q12-W19 HydrophobicContact CB-CZ2 4.29Å; Q12-W19 HydrophobicContact CB-CZ3 3.97Å; Q12-W19 HydrophobicContact CG-CD2 4.38Å; Q12-W19 HydrophobicContact CG-CZ2 4.47Å; W19-N66 WeakPolarHBondContact CZ2-O 3.49Å; W19-N66 PolarHBondContact NE1-O 3.31Å; W19-P68 HydrophobicContact CB-CB 4.01Å; W19-P68 HydrophobicContact CB-CG 4.49Å; W19-P68 HydrophobicContact CD2-CB 4.35Å; W19-P68 HydrophobicContact CD2-CG 4.07Å; W19-P68 HydrophobicContact CE3-CG 4.43Å; W19-P68 HydrophobicContact CG-CB 3.84Å; W19-P68 HydrophobicContact CG-CG 4.09Å; W19-L76 HydrophobicContact CH2-CD2 3.4Å; W19-L76 VanDerWaalsContact CH2-CD2 3.4Å; W19-L76 HydrophobicContact CZ2-CD2 3.69Å; W19-L76 HydrophobicContact CZ3-CD2 4.34Å; W19-C90 HydrophobicContact CE3-CB 4.27Å; W19-C90 HydrophobicContact CH2-CB 4.09Å; W19-C90 HydrophobicContact CZ3-CB 3.79Å
20K92.6Very high91.5Very high107 Ų10760.5 Ų60.547%0.46528%0.282SS..EExtended strand (participates in β ladder)trans-122.5140.9172.9-68.2-173176.9-173.80108.8H10 R11 N22H10-K20 CarbonylContact C-O 3.56Å; H10-K20 WeakPolarHBondContact CA-O 3.4Å; R11-K20 PolarHBondContact N-O 2.97Å; R11-K20 PolarHBondContact O-N 2.94Å; K20-N22 PolarHBondContact O-OD1 3.48Å
21R93.1Very high91.5Very high120 Ų12063.4 Ų63.445%0.45329%0.292SS..EExtended strand (participates in β ladder)trans-84.4127.4173.8-157.2-179.3-176.8-1414.5108W8 D92W8-R21 HydrophobicContact CB-CG 4.4Å; W8-R21 HydrophobicContact CD2-CG 4.34Å; W8-R21 HydrophobicContact CE3-CG 3.72Å; W8-R21 VanDerWaalsContact CG-CZ 3.49Å; W8-R21 HydrophobicContact CZ3-CG 4.35Å; R21-D92 IonicContact NH2-OD2 3.14Å
22N94.9Very high91.6Very high2 Ų262.1 Ų62.11%0.01129%0.287CS..EExtended strand (participates in β ladder)trans-133149.9-177-73.3104.8000109.6W8 L9 K20 F24 Y35 E44W8-N22 WeakPolarHBondContact CA-O 3.22Å; L9-N22 PolarHBondContact N-O 3.38Å; L9-N22 PolarHBondContact O-N 3.16Å; K20-N22 PolarHBondContact O-OD1 3.48Å; N22-F24 HydrophobicContact CB-CD2 4.27Å; N22-F24 HydrophobicContact CB-CE2 3.65Å; N22-F24 HydrophobicContact CB-CZ 4.4Å; N22-F24 WeakPolarHBondContact O-CD2 3.41Å; N22-Y35 WeakPolarHBondContact CA-O 3.48Å; N22-Y35 WeakPolarHBondContact CB-O 3.13Å; N22-Y35 PolarHBondContact ND2-O 3.21Å; N22-E44 VanDerWaalsContact CG-OE2 3.28Å; N22-E44 PolarHBondContact ND2-OE2 3.48Å; N22-E44 PolarHBondContact OD1-OE2 2.65Å
23W95.6Very high91.7Very high22 Ų2261.5 Ų61.58%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-88.4125.2173.4-176.1-93.9000109.8W8 D25 F34 Y35 Q38W8-W23 AromaticContact CD1-CE3 3.67Å; W8-W23 AromaticContact CD1-CZ3 3.53Å; W8-W23 AromaticContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CZ3 4.42Å; W8-W23 AromaticContact CE2-CE3 3.59Å; W8-W23 HydrophobicContact CE3-CB 4.32Å; W8-W23 HydrophobicContact CE3-CE3 4.48Å; W8-W23 AromaticContact CG-CE3 3.86Å; W8-W23 HydrophobicContact CG-CE3 3.86Å; W8-W23 HydrophobicContact CG-CZ3 4.13Å; W8-W23 HydrophobicContact CZ2-CE3 4.2Å; W8-W23 HydrophobicContact CZ3-CB 4.24Å; W8-W23 AromaticContact NE1-CE3 3.48Å; W8-W23 AromaticContact NE1-CZ3 3.47Å; W23-D25 PolarHBondContact NE1-OD1 3.35Å; W23-D25 PolarHBondContact NE1-OD2 3.21Å; W23-F34 CarbonylContact O-C 3.51Å; W23-F34 WeakPolarHBondContact O-CA 3.45Å; W23-Y35 PolarHBondContact N-O 3.12Å; W23-Y35 PolarHBondContact O-N 2.92Å; W23-Q38 HydrophobicContact CD2-CB 4.01Å; W23-Q38 HydrophobicContact CD2-CG 3.88Å; W23-Q38 HydrophobicContact CE3-CB 4Å; W23-Q38 HydrophobicContact CE3-CG 3.93Å; W23-Q38 HydrophobicContact CG-CB 4.28Å; W23-Q38 HydrophobicContact CG-CG 4.48Å; W23-Q38 HydrophobicContact CH2-CG 4.11Å; W23-Q38 HydrophobicContact CZ2-CG 4.07Å; W23-Q38 HydrophobicContact CZ3-CG 4.05Å
24F96.4Very high91.9Very high0 Ų060.9 Ų60.90%028%0.28CS..EExtended strand (participates in β ladder)trans-108.8135.6179.1-74-105.5000110.1S6 G7 L9 R11 N22 L32 V33 F34 L89 W100S6-F24 CarbonylContact C-O 3.54Å; S6-F24 WeakPolarHBondContact CA-O 3.32Å; G7-F24 PolarHBondContact N-O 2.98Å; G7-F24 PolarHBondContact O-N 2.95Å; L9-F24 HydrophobicContact CB-CD2 3.6Å; L9-F24 HydrophobicContact CB-CE2 3.59Å; L9-F24 HydrophobicContact CB-CG 4.45Å; L9-F24 HydrophobicContact CB-CZ 4.43Å; L9-F24 HydrophobicContact CD1-CB 4.33Å; L9-F24 HydrophobicContact CD1-CD1 4.26Å; L9-F24 HydrophobicContact CD1-CD2 3.9Å; L9-F24 HydrophobicContact CD1-CE2 4.27Å; L9-F24 HydrophobicContact CD1-CG 3.9Å; L9-F24 HydrophobicContact CG-CD2 4.03Å; L9-F24 HydrophobicContact CG-CE2 4.42Å; L9-F24 HydrophobicContact CG-CG 4.45Å; R11-F24 HydrophobicContact CB-CZ 4.27Å; N22-F24 HydrophobicContact CB-CD2 4.27Å; N22-F24 HydrophobicContact CB-CE2 3.65Å; N22-F24 HydrophobicContact CB-CZ 4.4Å; N22-F24 WeakPolarHBondContact O-CD2 3.41Å; F24-L32 HydrophobicContact CB-CD1 4.43Å; F24-L32 HydrophobicContact CD1-CD1 4.02Å; F24-L32 HydrophobicContact CD1-CD2 4.19Å; F24-L32 HydrophobicContact CD1-CG 4.16Å; F24-L32 HydrophobicContact CE1-CD2 4.46Å; F24-V33 WeakPolarHBondContact CA-O 3.35Å; F24-F34 HydrophobicContact CD1-CB 3.53Å; F24-F34 HydrophobicContact CD1-CD1 4.01Å; F24-F34 HydrophobicContact CD1-CG 4.07Å; F24-F34 HydrophobicContact CD2-CB 4.05Å; F24-F34 HydrophobicContact CE1-CB 3.49Å; F24-F34 VanDerWaalsContact CE1-CB 3.49Å; F24-F34 AromaticContact CE1-CD1 3.47Å; F24-F34 HydrophobicContact CE1-CD1 3.47Å; F24-F34 VanDerWaalsContact CE1-CD1 3.47Å; F24-F34 HydrophobicContact CE1-CD2 4.44Å; F24-F34 HydrophobicContact CE1-CE1 4.28Å; F24-F34 AromaticContact CE1-CG 3.56Å; F24-F34 HydrophobicContact CE1-CG 3.56Å; F24-F34 HydrophobicContact CE2-CB 4.02Å; F24-F34 HydrophobicContact CG-CB 3.81Å; F24-F34 HydrophobicContact CZ-CB 3.73Å; F24-F34 HydrophobicContact CZ-CD1 4.13Å; F24-F34 HydrophobicContact CZ-CD2 4.31Å; F24-F34 AromaticContact CZ-CG 3.81Å; F24-F34 HydrophobicContact CZ-CG 3.81Å; F24-L89 HydrophobicContact CE1-CD1 4.34Å; F24-L89 HydrophobicContact CE1-CD2 3.9Å; F24-L89 HydrophobicContact CE2-CD2 4.18Å; F24-L89 HydrophobicContact CZ-CD2 3.41Å; F24-L89 VanDerWaalsContact CZ-CD2 3.41Å; F24-W100 HydrophobicContact CB-CH2 3.83Å; F24-W100 HydrophobicContact CB-CZ2 4.35Å; F24-W100 HydrophobicContact CB-CZ3 4.35Å
25D95.5Very high92.5Very high0 Ų056.9 Ų56.90%025%0.252CS..EExtended strand (participates in β ladder)trans-122.6120168.5-68.8-50.2000109.2S6 W23 V33 Y35 R40S6-D25 WeakPolarHBondContact CB-OD1 3.48Å; W23-D25 PolarHBondContact NE1-OD1 3.35Å; W23-D25 PolarHBondContact NE1-OD2 3.21Å; D25-V33 PolarHBondContact N-O 3.41Å; D25-V33 PolarHBondContact O-N 2.95Å; D25-Y35 HydrophobicContact CB-CE2 4.42Å; D25-Y35 WeakPolarHBondContact OD2-CE2 3.32Å; D25-R40 VanDerWaalsContact CG-NH2 3.28Å; D25-R40 IonicContact OD1-CZ 3.95Å; D25-R40 IonicContact OD1-NE 2.73Å; D25-R40 IonicContact OD1-NH2 3.43Å; D25-R40 PolarHBondContact OD1-NH2 3.05Å; D25-R40 IonicContact OD2-CZ 3.83Å; D25-R40 VanDerWaalsContact OD2-CZ 3.25Å; D25-R40 IonicContact OD2-NE 3.28Å; D25-R40 PolarHBondContact OD2-NE 3.35Å; D25-R40 IonicContact OD2-NH2 2.69Å; D25-R40 PolarHBondContact OD2-NH2 2.82Å; D25-R40 VanDerWaalsContact OD2-NH2 3.14Å
26L95.6Very high92.9Very high1 Ų152.8 Ų52.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-96118.8169.5-179.464000108.9V4 K5 L32 M49 W100 A103 L104 A107V4-L26 HydrophobicContact CB-CG 4.45Å; V4-L26 HydrophobicContact CG1-CD2 4.47Å; V4-L26 PolarHBondContact N-O 3.25Å; K5-L26 HydrophobicContact CB-CB 4.44Å; K5-L26 PolarHBondContact N-O 3.33Å; K5-L26 PolarHBondContact O-N 2.81Å; L26-L32 HydrophobicContact CB-CD1 4.07Å; L26-L32 HydrophobicContact CD1-CB 4.2Å; L26-L32 HydrophobicContact CD1-CD1 4.22Å; L26-M49 HydrophobicContact CD1-CG 4.22Å; L26-W100 HydrophobicContact CB-CZ3 4.27Å; L26-A103 HydrophobicContact CD2-CB 3.81Å; L26-L104 HydrophobicContact CD1-CD2 4.15Å; L26-L104 HydrophobicContact CD2-CD2 4.35Å; L26-A107 HydrophobicContact CD1-CB 3.8Å; L26-A107 HydrophobicContact CD2-CB 4.11Å; L26-A107 HydrophobicContact CG-CB 4.37Å
27W94.1Very high93.1Very high53 Ų5351.6 Ų51.620%0.20123%0.227CC..EExtended strand (participates in β ladder)trans-93.6152.9-178.8-64.288000111.6M1 V3 D29 G30 R31M1-W27 HydrophobicContact CB-CE3 3.94Å; M1-W27 HydrophobicContact CB-CZ3 4.04Å; V3-W27 HydrophobicContact CG2-CD2 4.04Å; V3-W27 HydrophobicContact CG2-CE3 3.73Å; V3-W27 HydrophobicContact CG2-CH2 3.78Å; V3-W27 HydrophobicContact CG2-CZ2 4.07Å; V3-W27 HydrophobicContact CG2-CZ3 3.6Å; W27-D29 WeakPolarHBondContact CB-OD1 3.3Å; W27-D29 PolarHBondContact O-N 2.85Å; W27-G30 WeakPolarHBondContact O-CA 3.24Å; W27-G30 PolarHBondContact O-N 3.39Å; W27-R31 HydrophobicContact CB-CB 4.44Å; W27-R31 WeakPolarHBondContact CB-O 3.3Å; W27-R31 PolarHBondContact N-O 3.02Å
28A91.4Very high93.1Very high53 Ų5349.3 Ų49.344%0.43822%0.223SC..THydrogen-bonded Turntrans-66.2-16.3-178.600000114.1A2 V4 G30A2-A28 HydrophobicContact CB-CB 4.38Å; A2-A28 WeakPolarHBondContact O-CB 2.91Å; A2-A28 PolarHBondContact O-N 3.21Å; V4-A28 HydrophobicContact CG2-CB 3.89Å; A28-G30 PolarHBondContact O-N 2.83Å
29D90.3Very high92.9Very high39 Ų3947.1 Ų47.121%0.20922%0.22CC..THydrogen-bonded Turntrans-77.2-7.317164.9-9.7000112.8M1 W27 R31 H48M1-D29 HydrophobicContact CE-CB 4.47Å; M1-D29 WeakPolarHBondContact CE-OD2 3.45Å; W27-D29 WeakPolarHBondContact CB-OD1 3.3Å; W27-D29 PolarHBondContact O-N 2.85Å; D29-R31 WeakPolarHBondContact OD1-CB 3.19Å; D29-R31 PolarHBondContact OD1-N 2.84Å; D29-R31 VanDerWaalsContact OD2-CD 3.22Å; D29-R31 WeakPolarHBondContact OD2-CD 3.42Å; D29-R31 WeakPolarHBondContact OD2-CG 3.44Å; D29-H48 PolarHBondContact O-CE1 2.8Å
30G91.8Very high92.6Very high3 Ų349.8 Ų49.83%0.03123%0.23CC..SBendtrans89.312.9-177.500000113.8W27 A28 M49W27-G30 WeakPolarHBondContact O-CA 3.24Å; W27-G30 PolarHBondContact O-N 3.39Å; A28-G30 PolarHBondContact O-N 2.83Å; G30-M49 VanDerWaalsContact O-CB 3.29Å; G30-M49 WeakPolarHBondContact O-CB 3.4Å; G30-M49 WeakPolarHBondContact O-CG 3.31Å; G30-M49 PolarHBondContact O-N 2.73Å
31R94.2Very high92Very high96 Ų9653.9 Ų53.936%0.36224%0.242SC..EExtended strand (participates in β ladder)trans-83.7127.7170.3-64.5-179.278.1-178.43.5110.3W27 D29 D46W27-R31 HydrophobicContact CB-CB 4.44Å; W27-R31 WeakPolarHBondContact CB-O 3.3Å; W27-R31 PolarHBondContact N-O 3.02Å; D29-R31 WeakPolarHBondContact OD1-CB 3.19Å; D29-R31 PolarHBondContact OD1-N 2.84Å; D29-R31 VanDerWaalsContact OD2-CD 3.22Å; D29-R31 WeakPolarHBondContact OD2-CD 3.42Å; D29-R31 WeakPolarHBondContact OD2-CG 3.44Å; R31-D46 IonicContact CZ-OD2 3.82Å; R31-D46 IonicContact NE-OD2 2.75Å; R31-D46 PolarHBondContact NE-OD2 3.08Å; R31-D46 IonicContact NH2-OD1 2.74Å; R31-D46 IonicContact NH2-OD2 3.03Å; R31-D46 PolarHBondContact NH2-OD2 2.83Å
32L95.4Very high91.6Very high2 Ų252.8 Ų52.81%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-100.2114.5167.3-178.868.9000107.7F24 L26 D46 I47 M49 I79 W100 L104F24-L32 HydrophobicContact CB-CD1 4.43Å; F24-L32 HydrophobicContact CD1-CD1 4.02Å; F24-L32 HydrophobicContact CD1-CD2 4.19Å; F24-L32 HydrophobicContact CD1-CG 4.16Å; F24-L32 HydrophobicContact CE1-CD2 4.46Å; L26-L32 HydrophobicContact CB-CD1 4.07Å; L26-L32 HydrophobicContact CD1-CB 4.2Å; L26-L32 HydrophobicContact CD1-CD1 4.22Å; L32-D46 CarbonylContact O-C 3.53Å; L32-D46 WeakPolarHBondContact O-CA 2.91Å; L32-I47 PolarHBondContact N-O 2.86Å; L32-I47 PolarHBondContact O-N 2.75Å; L32-M49 HydrophobicContact CB-CG 4.09Å; L32-M49 HydrophobicContact CB-SD 4Å; L32-M49 HydrophobicContact CD2-SD 4.13Å; L32-I79 HydrophobicContact CD2-CD1 3.65Å; L32-W100 HydrophobicContact CD1-CZ3 4.38Å; L32-L104 HydrophobicContact CD1-CD2 4.02Å; L32-L104 HydrophobicContact CD2-CD2 3.78Å; L32-L104 HydrophobicContact CG-CD2 4.33Å
33V95.1Very high91.3Very high9 Ų957.8 Ų57.86%0.05527%0.27CS..EExtended strand (participates in β ladder)trans-112139.1177.4-171.20000108F24 D25 Y35 M43 D46F24-V33 WeakPolarHBondContact CA-O 3.35Å; D25-V33 PolarHBondContact N-O 3.41Å; D25-V33 PolarHBondContact O-N 2.95Å; V33-Y35 HydrophobicContact CB-CE2 4.1Å; V33-Y35 HydrophobicContact CG1-CD2 4.43Å; V33-Y35 HydrophobicContact CG1-CE1 4.03Å; V33-Y35 HydrophobicContact CG1-CE2 3.7Å; V33-Y35 VanDerWaalsContact CG1-CZ 3.47Å; V33-Y35 WeakPolarHBondContact CG1-OH 3.13Å; V33-M43 HydrophobicContact CG1-CG 3.71Å; V33-M43 HydrophobicContact CG1-SD 3.76Å; V33-D46 HydrophobicContact CB-CB 4.38Å; V33-D46 HydrophobicContact CG1-CB 4.27Å; V33-D46 HydrophobicContact CG2-CB 3.95Å
34F94.3Very high91Very high4 Ų459.5 Ų59.52%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-130.2142.2172.354-87.7000113R11 W23 F24 E44 D45 I47R11-F34 VanDerWaalsContact CD-CE2 3.48Å; W23-F34 CarbonylContact O-C 3.51Å; W23-F34 WeakPolarHBondContact O-CA 3.45Å; F24-F34 HydrophobicContact CD1-CB 3.53Å; F24-F34 HydrophobicContact CD1-CD1 4.01Å; F24-F34 HydrophobicContact CD1-CG 4.07Å; F24-F34 HydrophobicContact CD2-CB 4.05Å; F24-F34 HydrophobicContact CE1-CB 3.49Å; F24-F34 VanDerWaalsContact CE1-CB 3.49Å; F24-F34 AromaticContact CE1-CD1 3.47Å; F24-F34 HydrophobicContact CE1-CD1 3.47Å; F24-F34 VanDerWaalsContact CE1-CD1 3.47Å; F24-F34 HydrophobicContact CE1-CD2 4.44Å; F24-F34 HydrophobicContact CE1-CE1 4.28Å; F24-F34 AromaticContact CE1-CG 3.56Å; F24-F34 HydrophobicContact CE1-CG 3.56Å; F24-F34 HydrophobicContact CE2-CB 4.02Å; F24-F34 HydrophobicContact CG-CB 3.81Å; F24-F34 HydrophobicContact CZ-CB 3.73Å; F24-F34 HydrophobicContact CZ-CD1 4.13Å; F24-F34 HydrophobicContact CZ-CD2 4.31Å; F24-F34 AromaticContact CZ-CG 3.81Å; F24-F34 HydrophobicContact CZ-CG 3.81Å; F34-E44 HydrophobicContact CD2-CB 3.83Å; F34-E44 HydrophobicContact CD2-CG 4.3Å; F34-E44 HydrophobicContact CE2-CB 3.97Å; F34-E44 HydrophobicContact CE2-CG 4.02Å; F34-E44 PolarHBondContact O-N 3.45Å; F34-D45 HydrophobicContact CE1-CB 3.83Å; F34-D45 HydrophobicContact CE2-CB 3.64Å; F34-D45 HydrophobicContact CZ-CB 3.27Å; F34-D45 PolarHBondContact N-O 2.95Å; F34-D45 VanDerWaalsContact N-O 3.07Å; F34-D45 PolarHBondContact O-N 2.95Å; F34-I47 HydrophobicContact CE1-CD1 4.13Å; F34-I47 HydrophobicContact CE1-CG1 4.43Å
35Y94Very high90.8Very high25 Ų2562 Ų6210%0.09829%0.293CS..EExtended strand (participates in β ladder)trans-118.8160.6-172.1-54.8-90.2000109.7N22 W23 D25 V33 D37 R40 D42 M43N22-Y35 WeakPolarHBondContact CA-O 3.48Å; N22-Y35 WeakPolarHBondContact CB-O 3.13Å; N22-Y35 PolarHBondContact ND2-O 3.21Å; W23-Y35 PolarHBondContact N-O 3.12Å; W23-Y35 PolarHBondContact O-N 2.92Å; D25-Y35 HydrophobicContact CB-CE2 4.42Å; D25-Y35 WeakPolarHBondContact OD2-CE2 3.32Å; V33-Y35 HydrophobicContact CB-CE2 4.1Å; V33-Y35 HydrophobicContact CG1-CD2 4.43Å; V33-Y35 HydrophobicContact CG1-CE1 4.03Å; V33-Y35 HydrophobicContact CG1-CE2 3.7Å; V33-Y35 VanDerWaalsContact CG1-CZ 3.47Å; V33-Y35 WeakPolarHBondContact CG1-OH 3.13Å; Y35-D37 VanDerWaalsContact C-N 3.31Å; Y35-D37 WeakPolarHBondContact CB-O 3.29Å; Y35-R40 HydrophobicContact CD1-CB 4.03Å; Y35-R40 HydrophobicContact CD2-CB 4.44Å; Y35-R40 HydrophobicContact CD2-CG 4.04Å; Y35-R40 HydrophobicContact CE1-CB 3.89Å; Y35-R40 HydrophobicContact CE1-CG 4.41Å; Y35-R40 HydrophobicContact CE2-CB 4.31Å; Y35-R40 HydrophobicContact CE2-CG 3.92Å; Y35-R40 HydrophobicContact CG-CB 4.3Å; Y35-R40 HydrophobicContact CG-CG 4.34Å; Y35-D42 VanDerWaalsContact CA-O 3.3Å; Y35-D42 WeakPolarHBondContact CA-O 3.38Å; Y35-D42 WeakPolarHBondContact CB-O 3.19Å; Y35-M43 HydrophobicContact CD1-CB 3.98Å; Y35-M43 HydrophobicContact CD1-CG 4.39Å; Y35-M43 HydrophobicContact CE1-CB 3.95Å; Y35-M43 HydrophobicContact CE1-CG 4.17Å
36N90.6Very high90.7Very high66 Ų6664.1 Ų64.135%0.35330%0.304SS..SBendtrans-61.6-44.9169.8-71.3-26.5000110.5D42N36-D42 HydrophobicContact CB-CB 4.3Å; N36-D42 PolarHBondContact N-O 2.83Å
37D90Very high90.6Very high95 Ų9564.1 Ų64.151%0.50830%0.304SS..SBendtrans-135.3164.1-175.8-70.5-46.5000113Y35 E39 R40Y35-D37 VanDerWaalsContact C-N 3.31Å; Y35-D37 WeakPolarHBondContact CB-O 3.29Å; D37-E39 PolarHBondContact O-N 2.93Å; D37-E39 VanDerWaalsContact O-N 3.12Å; D37-R40 PolarHBondContact O-N 2.75Å; D37-R40 VanDerWaalsContact O-N 3.14Å
38Q87.9Confident90.6Very high111 Ų11164.1 Ų64.152%0.51931%0.306SS..THydrogen-bonded Turntrans-62.1-17.6178.5-173.2175.312.700113.6W8 W23 R40W8-Q38 HydrophobicContact CZ2-CB 3.98Å; W23-Q38 HydrophobicContact CD2-CB 4.01Å; W23-Q38 HydrophobicContact CD2-CG 3.88Å; W23-Q38 HydrophobicContact CE3-CB 4Å; W23-Q38 HydrophobicContact CE3-CG 3.93Å; W23-Q38 HydrophobicContact CG-CB 4.28Å; W23-Q38 HydrophobicContact CG-CG 4.48Å; W23-Q38 HydrophobicContact CH2-CG 4.11Å; W23-Q38 HydrophobicContact CZ2-CG 4.07Å; W23-Q38 HydrophobicContact CZ3-CG 4.05Å; Q38-R40 PolarHBondContact O-N 3.32Å
39E85.4Confident90.8Very high129 Ų12961.6 Ų61.660%0.60329%0.285SS*.THydrogen-bonded Turntrans-70.2-7.2176.1-59.3-159.8170.600113.5D37 R41D37-E39 PolarHBondContact O-N 2.93Å; D37-E39 VanDerWaalsContact O-N 3.12Å; E39-R41 HydrophobicContact CB-CG 4.08Å; E39-R41 PolarHBondContact O-N 3.02Å; E39-R41 IonicContact OE2-CZ 3.25Å; E39-R41 IonicContact OE2-NE 3.72Å; E39-R41 PolarHBondContact OE2-NE 3.33Å; E39-R41 IonicContact OE2-NH2 3.75Å; E39-R41 PolarHBondContact OE2-NH2 2.85Å
40R86.6Confident90.8Very high109 Ų10964 Ų6441%0.41129%0.292SS..  trans56.720.8176.7-59173.2172.9160.7-1.3114.6D25 Y35 D37 Q38D25-R40 VanDerWaalsContact CG-NH2 3.28Å; D25-R40 IonicContact OD1-CZ 3.95Å; D25-R40 IonicContact OD1-NE 2.73Å; D25-R40 IonicContact OD1-NH2 3.43Å; D25-R40 PolarHBondContact OD1-NH2 3.05Å; D25-R40 IonicContact OD2-CZ 3.83Å; D25-R40 VanDerWaalsContact OD2-CZ 3.25Å; D25-R40 IonicContact OD2-NE 3.28Å; D25-R40 PolarHBondContact OD2-NE 3.35Å; D25-R40 IonicContact OD2-NH2 2.69Å; D25-R40 PolarHBondContact OD2-NH2 2.82Å; D25-R40 VanDerWaalsContact OD2-NH2 3.14Å; Y35-R40 HydrophobicContact CD1-CB 4.03Å; Y35-R40 HydrophobicContact CD2-CB 4.44Å; Y35-R40 HydrophobicContact CD2-CG 4.04Å; Y35-R40 HydrophobicContact CE1-CB 3.89Å; Y35-R40 HydrophobicContact CE1-CG 4.41Å; Y35-R40 HydrophobicContact CE2-CB 4.31Å; Y35-R40 HydrophobicContact CE2-CG 3.92Å; Y35-R40 HydrophobicContact CG-CB 4.3Å; Y35-R40 HydrophobicContact CG-CG 4.34Å; D37-R40 PolarHBondContact O-N 2.75Å; D37-R40 VanDerWaalsContact O-N 3.14Å; Q38-R40 PolarHBondContact O-N 3.32Å
41R80Confident90.9Very high192 Ų19267.7 Ų67.773%0.72531%0.313SS*.  trans-77.3-45.4-179.3-62.5-170.6-161.5-163.68112.1E39E39-R41 HydrophobicContact CB-CG 4.08Å; E39-R41 PolarHBondContact O-N 3.02Å; E39-R41 IonicContact OE2-CZ 3.25Å; E39-R41 IonicContact OE2-NE 3.72Å; E39-R41 PolarHBondContact OE2-NE 3.33Å; E39-R41 IonicContact OE2-NH2 3.75Å; E39-R41 PolarHBondContact OE2-NH2 2.85Å
42D84.8Confident90.9Very high97 Ų9766.8 Ų66.852%0.51931%0.313SS..SBendtrans-107.896.7-177-60.8-43.5000109.8Y35 N36 E44Y35-D42 VanDerWaalsContact CA-O 3.3Å; Y35-D42 WeakPolarHBondContact CA-O 3.38Å; Y35-D42 WeakPolarHBondContact CB-O 3.19Å; N36-D42 HydrophobicContact CB-CB 4.3Å; N36-D42 PolarHBondContact N-O 2.83Å; D42-E44 PolarHBondContact O-N 2.86Å
43M89.3Confident90.8Very high108 Ų10867 Ų6753%0.53231%0.314SS..EExtended strand (participates in β ladder)trans-71.5124.4172.7-172178.980.100109.3V33 Y35V33-M43 HydrophobicContact CG1-CG 3.71Å; V33-M43 HydrophobicContact CG1-SD 3.76Å; Y35-M43 HydrophobicContact CD1-CB 3.98Å; Y35-M43 HydrophobicContact CD1-CG 4.39Å; Y35-M43 HydrophobicContact CE1-CB 3.95Å; Y35-M43 HydrophobicContact CE1-CG 4.17Å
44E89.4Confident90.8Very high57 Ų5771.3 Ų71.327%0.26634%0.336SS..EExtended strand (participates in β ladder)trans-85.7-46.1178-169174.1-156.800110.6R11 N22 F34 D42R11-E44 IonicContact CZ-OE1 3.57Å; R11-E44 IonicContact CZ-OE2 3.68Å; R11-E44 IonicContact NE-OE1 3.74Å; R11-E44 IonicContact NE-OE2 3.08Å; R11-E44 PolarHBondContact NE-OE2 3.13Å; R11-E44 VanDerWaalsContact NE-OE2 3.08Å; R11-E44 VanDerWaalsContact NH2-CD 3.28Å; R11-E44 IonicContact NH2-OE1 2.65Å; R11-E44 PolarHBondContact NH2-OE1 3.18Å; R11-E44 IonicContact NH2-OE2 3.48Å; R11-E44 PolarHBondContact NH2-OE2 3.03Å; N22-E44 VanDerWaalsContact CG-OE2 3.28Å; N22-E44 PolarHBondContact ND2-OE2 3.48Å; N22-E44 PolarHBondContact OD1-OE2 2.65Å; F34-E44 HydrophobicContact CD2-CB 3.83Å; F34-E44 HydrophobicContact CD2-CG 4.3Å; F34-E44 HydrophobicContact CE2-CB 3.97Å; F34-E44 HydrophobicContact CE2-CG 4.02Å; F34-E44 PolarHBondContact O-N 3.45Å; D42-E44 PolarHBondContact O-N 2.86Å
45D91.1Very high90.8Very high54 Ų5474.7 Ų74.729%0.28935%0.354SS..EExtended strand (participates in β ladder)trans-165.8170.5175.3-151-12.2000111.3F34 R85F34-D45 HydrophobicContact CE1-CB 3.83Å; F34-D45 HydrophobicContact CE2-CB 3.64Å; F34-D45 HydrophobicContact CZ-CB 3.27Å; F34-D45 PolarHBondContact N-O 2.95Å; F34-D45 VanDerWaalsContact N-O 3.07Å; F34-D45 PolarHBondContact O-N 2.95Å; D45-R85 IonicContact OD1-NH1 3.97Å; D45-R85 IonicContact OD2-CZ 3.95Å; D45-R85 IonicContact OD2-NH1 3.4Å; D45-R85 PolarHBondContact OD2-NH1 3.38Å
46D93.6Very high90.8Very high44 Ų4474 Ų7424%0.23535%0.352CS..EExtended strand (participates in β ladder)trans-138.9154170.284.1-79.9000114.1R31 L32 V33R31-D46 IonicContact CZ-OD2 3.82Å; R31-D46 IonicContact NE-OD2 2.75Å; R31-D46 PolarHBondContact NE-OD2 3.08Å; R31-D46 IonicContact NH2-OD1 2.74Å; R31-D46 IonicContact NH2-OD2 3.03Å; R31-D46 PolarHBondContact NH2-OD2 2.83Å; L32-D46 CarbonylContact O-C 3.53Å; L32-D46 WeakPolarHBondContact O-CA 2.91Å; V33-D46 HydrophobicContact CB-CB 4.38Å; V33-D46 HydrophobicContact CG1-CB 4.27Å; V33-D46 HydrophobicContact CG2-CB 3.95Å
47I94.3Very high91Very high1 Ų175.7 Ų75.71%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-141117.6-176.5-49.2167.5000109L32 F34 M49 H52 I87L32-I47 PolarHBondContact N-O 2.86Å; L32-I47 PolarHBondContact O-N 2.75Å; F34-I47 HydrophobicContact CE1-CD1 4.13Å; F34-I47 HydrophobicContact CE1-CG1 4.43Å; I47-M49 HydrophobicContact CG2-SD 4.42Å; I47-M49 PolarHBondContact O-N 2.88Å; I47-H52 HydrophobicContact CG2-CB 3.78Å; I47-I87 HydrophobicContact CD1-CD1 3.07Å; I47-I87 HydrophobicContact CG1-CD1 4.18Å
48H94.3Very high91Very high52 Ų5272.8 Ų72.824%0.24135%0.347CS..EExtended strand (participates in β ladder)trans-73.7106.5164.9-162.9-27.5000110.5D29 R50 V51 H52D29-H48 PolarHBondContact O-CE1 2.8Å; H48-R50 PolarHBondContact O-N 3.4Å; H48-V51 HydrophobicContact CB-CB 4.16Å; H48-V51 HydrophobicContact CB-CG2 4.31Å; H48-V51 PolarHBondContact O-N 3.44Å; H48-V51 VanDerWaalsContact O-N 3.15Å; H48-H52 PolarHBondContact N-CD2 3.49Å; H48-H52 WeakPolarHBondContact O-CB 3.33Å; H48-H52 PolarHBondContact O-N 3.27Å
49M94.7Very high91Very high0 Ų069.9 Ų69.90%034%0.338CS..Hα-helixtrans-56.7-48.9-174.5-66.6-59.3-62.800112.4L26 G30 L32 I47 V51 C53 I56 I79 L104 A107L26-M49 HydrophobicContact CD1-CG 4.22Å; G30-M49 VanDerWaalsContact O-CB 3.29Å; G30-M49 WeakPolarHBondContact O-CB 3.4Å; G30-M49 WeakPolarHBondContact O-CG 3.31Å; G30-M49 PolarHBondContact O-N 2.73Å; L32-M49 HydrophobicContact CB-CG 4.09Å; L32-M49 HydrophobicContact CB-SD 4Å; L32-M49 HydrophobicContact CD2-SD 4.13Å; I47-M49 HydrophobicContact CG2-SD 4.42Å; I47-M49 PolarHBondContact O-N 2.88Å; M49-V51 VanDerWaalsContact C-N 3.32Å; M49-V51 PolarHBondContact O-N 2.95Å; M49-C53 HydrophobicContact CE-CB 3.74Å; M49-C53 WeakPolarHBondContact O-CA 3.42Å; M49-C53 WeakPolarHBondContact O-CB 3.32Å; M49-C53 PolarHBondContact O-N 3.07Å; M49-C53 HydrophobicContact SD-CB 4.27Å; M49-I56 HydrophobicContact CE-CD1 4.04Å; M49-I79 HydrophobicContact CE-CG2 4.34Å; M49-I79 HydrophobicContact SD-CD1 4.5Å; M49-L104 HydrophobicContact CE-CB 3.74Å; M49-L104 HydrophobicContact CE-CD2 3.64Å; M49-L104 HydrophobicContact CE-CG 4.2Å; M49-L104 HydrophobicContact CG-CD2 4.2Å; M49-L104 HydrophobicContact SD-CD2 3.79Å; M49-A107 HydrophobicContact CB-CB 4.15Å; M49-A107 HydrophobicContact CG-CB 4.26Å
50R91.3Very high91Very high91 Ų9167.5 Ų67.534%0.34334%0.34SS..Hα-helixtrans-59-38.1177.5-169.4-175.4-52.6144.519.3114.2H48 R108 N110 T111H48-R50 PolarHBondContact O-N 3.4Å; R50-R108 WeakPolarHBondContact CG-O 3.44Å; R50-N110 VanDerWaalsContact CZ-O 3.3Å; R50-N110 PolarHBondContact NE-O 3.27Å; R50-N110 PolarHBondContact NH2-O 2.86Å; R50-T111 VanDerWaalsContact CZ-CA 3.43Å; R50-T111 VanDerWaalsContact NH2-CA 3.31Å
51V92.5Very high90.8Very high80 Ų8065 Ų6549%0.48534%0.343SS..Hα-helixtrans-90.1-42.1-171.6-178.30000111.7H48 M49H48-V51 HydrophobicContact CB-CB 4.16Å; H48-V51 HydrophobicContact CB-CG2 4.31Å; H48-V51 PolarHBondContact O-N 3.44Å; H48-V51 VanDerWaalsContact O-N 3.15Å; M49-V51 VanDerWaalsContact C-N 3.32Å; M49-V51 PolarHBondContact O-N 2.95Å
52H94.4Very high90.9Very high77 Ų7756.1 Ų56.136%0.35631%0.31SS..Hα-helixtrans-99.2-36.5-172.1-61.7-45.6000113.2I47 H48 I54 C81 R82I47-H52 HydrophobicContact CG2-CB 3.78Å; H48-H52 PolarHBondContact N-CD2 3.49Å; H48-H52 WeakPolarHBondContact O-CB 3.33Å; H48-H52 PolarHBondContact O-N 3.27Å; H52-I54 PolarHBondContact O-N 3.24Å; H52-C81 CarbonylContact O-C 3.59Å; H52-C81 WeakPolarHBondContact O-CA 3.45Å; H52-R82 PolarHBondContact O-N 2.81Å
53C93.9Very high90.5Very high6 Ų658.8 Ų58.84%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-77.7122.3-177.2179.80000110.9M49 N55 I56 I79 R108M49-C53 HydrophobicContact CE-CB 3.74Å; M49-C53 WeakPolarHBondContact O-CA 3.42Å; M49-C53 WeakPolarHBondContact O-CB 3.32Å; M49-C53 PolarHBondContact O-N 3.07Å; M49-C53 HydrophobicContact SD-CB 4.27Å; C53-N55 PolarHBondContact SG-O 3.45Å; C53-I56 VanDerWaalsContact SG-CG1 3.58Å; C53-I79 HydrophobicContact CB-CG2 4.13Å; C53-R108 VanDerWaalsContact O-CD 3.31Å; C53-R108 WeakPolarHBondContact O-CD 3.04Å
54I95Very high90Very high100 Ų10061.9 Ų61.951%0.51333%0.333SS..EExtended strand (participates in β ladder)trans-101.6-26.9174.860.2168.8000112.5H52 V80 R82H52-I54 PolarHBondContact O-N 3.24Å; I54-V80 HydrophobicContact CD1-CG1 3.88Å; I54-V80 HydrophobicContact CG1-CB 4.19Å; I54-V80 HydrophobicContact CG1-CG1 3.82Å; I54-V80 VanDerWaalsContact CG1-O 3.29Å; I54-V80 WeakPolarHBondContact CG1-O 3.24Å; I54-V80 PolarHBondContact N-O 3Å; I54-R82 HydrophobicContact CG2-CB 3.71Å; I54-R82 HydrophobicContact CG2-CG 4.15Å
55N93.8Very high89.6Confident75 Ų7559.6 Ų59.640%0.40132%0.322SS..EExtended strand (participates in β ladder)trans-155.9150.5179.6-163.41.4000110.9C53 V80C53-N55 PolarHBondContact SG-O 3.45Å; N55-V80 HydrophobicContact CB-CB 4.13Å; N55-V80 HydrophobicContact CB-CG2 4.37Å; N55-V80 PolarHBondContact N-O 2.88Å; N55-V80 PolarHBondContact O-N 3.15Å
56I94.6Very high89.2Confident10 Ų1062.3 Ų62.35%0.05134%0.337CS..EExtended strand (participates in β ladder)trans-124.1117.5171.4-54.7162.5000107M49 C53 Q78 T101 L104 Q105M49-I56 HydrophobicContact CE-CD1 4.04Å; C53-I56 VanDerWaalsContact SG-CG1 3.58Å; I56-Q78 CarbonylContact C-O 3.46Å; I56-Q78 WeakPolarHBondContact CA-O 3.37Å; I56-T101 HydrophobicContact CG2-CG2 3.94Å; I56-L104 HydrophobicContact CD1-CB 3.54Å; I56-Q105 HydrophobicContact CD1-CB 4.5Å; I56-Q105 HydrophobicContact CD1-CG 3.89Å
57R93.4Very high88.7Confident101 Ų10161.6 Ų61.638%0.38134%0.335SS..EExtended strand (participates in β ladder)trans-98.3128.1-176.7-70.1175.5-179.1171.31109.2A61 F77 Q78 V80R57-A61 HydrophobicContact CB-CB 3.89Å; R57-A61 HydrophobicContact CG-CB 4.13Å; R57-F77 CarbonylContact O-C 3.47Å; R57-F77 WeakPolarHBondContact O-CA 3.21Å; R57-F77 VanDerWaalsContact O-CB 3.31Å; R57-F77 WeakPolarHBondContact O-CB 3.41Å; R57-Q78 HydrophobicContact CB-CB 4.15Å; R57-Q78 PolarHBondContact N-O 3.05Å; R57-Q78 PolarHBondContact O-N 2.91Å; R57-V80 HydrophobicContact CG-CG2 4.21Å
58G90.1Very high88.3Confident35 Ų3562.3 Ų62.336%0.36134%0.34SS..  trans-77.7-175.5170.600000112.7A60 A61 C62 L76G58-A60 VanDerWaalsContact C-N 3.28Å; G58-A60 PolarHBondContact O-N 2.75Å; G58-A61 PolarHBondContact O-N 2.76Å; G58-A61 VanDerWaalsContact O-N 3.13Å; G58-C62 PolarHBondContact O-SG 2.69Å; G58-C62 VanDerWaalsContact O-SG 3.33Å; G58-L76 CarbonylContact C-O 3.59Å
59S88.6Confident87.6Confident50 Ų5068.1 Ų68.135%0.3537%0.372SS..G310 helixtrans-55-36.6-177.555.70000114.5A61 C62 R73 L76S59-A61 PolarHBondContact O-N 3.43Å; S59-C62 WeakPolarHBondContact O-CB 3.42Å; S59-C62 PolarHBondContact O-N 3.4Å; S59-R73 WeakPolarHBondContact CB-O 3.45Å; S59-L76 WeakPolarHBondContact CA-O 3.37Å; S59-L76 WeakPolarHBondContact CB-O 3.37Å; S59-L76 PolarHBondContact N-O 3.41Å
60A84.9Confident86.9Confident78 Ų7872.3 Ų72.365%0.64542%0.416SS*.G310 helixtrans-60.2-28.5-179.900000113.9G58 Q63G58-A60 VanDerWaalsContact C-N 3.28Å; G58-A60 PolarHBondContact O-N 2.75Å; A60-Q63 WeakPolarHBondContact O-CG 3.31Å; A60-Q63 PolarHBondContact O-NE2 3.01Å
61A83.4Confident86.6Confident57 Ų5771 Ų7147%0.47141%0.413SS..G310 helixtrans-93.1-1177.500000112.9R57 G58 S59R57-A61 HydrophobicContact CB-CB 3.89Å; R57-A61 HydrophobicContact CG-CB 4.13Å; G58-A61 PolarHBondContact O-N 2.76Å; G58-A61 VanDerWaalsContact O-N 3.13Å; S59-A61 PolarHBondContact O-N 3.43Å
62C81.9Confident86.2Confident5 Ų569.7 Ų69.73%0.03441%0.41CS..  trans-100.929.4-178.1-63.60000112.9G58 S59 E64 L65 L76G58-C62 PolarHBondContact O-SG 2.69Å; G58-C62 VanDerWaalsContact O-SG 3.33Å; S59-C62 WeakPolarHBondContact O-CB 3.42Å; S59-C62 PolarHBondContact O-N 3.4Å; C62-E64 PolarHBondContact O-N 3.34Å; C62-E64 VanDerWaalsContact O-N 3.16Å; C62-L65 HydrophobicContact CB-CB 4.44Å; C62-L65 HydrophobicContact CB-CD1 4.03Å; C62-L65 HydrophobicContact CB-CG 4.37Å; C62-L65 WeakPolarHBondContact O-CB 3.47Å; C62-L65 PolarHBondContact O-N 3.28Å; C62-L76 HydrophobicContact CB-CB 4.17Å
63Q76.1Confident85.9Confident154 Ų15472.7 Ų72.772%0.7242%0.418SS*.THydrogen-bonded Turntrans-61.6-27.5-172.1-61.7-177.77.500114.1A60 L65A60-Q63 WeakPolarHBondContact O-CG 3.31Å; A60-Q63 PolarHBondContact O-NE2 3.01Å; Q63-L65 VanDerWaalsContact C-N 3.34Å
64E78.3Confident85.8Confident172 Ų17276.4 Ų76.480%0.80444%0.438SS*.THydrogen-bonded Turntrans-84.9-7.5179.8-62.3178.1-173.500113.4C62C62-E64 PolarHBondContact O-N 3.34Å; C62-E64 VanDerWaalsContact O-N 3.16Å
65L81.1Confident85.7Confident9 Ų971.7 Ų71.75%0.04741%0.414CS..PPolyproline II helixtrans-91.1130.7178.4-63.7-174.3000110.7Q12 C62 Q63 L76 Q78 S88Q12-L65 VanDerWaalsContact OE1-CD2 3.26Å; C62-L65 HydrophobicContact CB-CB 4.44Å; C62-L65 HydrophobicContact CB-CD1 4.03Å; C62-L65 HydrophobicContact CB-CG 4.37Å; C62-L65 WeakPolarHBondContact O-CB 3.47Å; C62-L65 PolarHBondContact O-N 3.28Å; Q63-L65 VanDerWaalsContact C-N 3.34Å; L65-L76 HydrophobicContact CB-CD1 4.14Å; L65-Q78 HydrophobicContact CD1-CG 4.01Å; L65-S88 WeakPolarHBondContact CD1-OG 3.13Å
66N83.5Confident85.7Confident111 Ų11168.2 Ų68.259%0.59440%0.395SS*.PPolyproline II helixtrans-87.9123166-68.7-39.5000108.6W19W19-N66 WeakPolarHBondContact CZ2-O 3.49Å; W19-N66 PolarHBondContact NE1-O 3.31Å
67P83.1Confident85.7Confident29 Ų2967.8 Ų67.819%0.18839%0.393CS..PPolyproline II helixtrans-63.5159176.728.2-33.7000110.3K71 R73 L76P67-K71 HydrophobicContact CB-CB 4.28Å; P67-K71 WeakPolarHBondContact CB-O 3.09Å; P67-K71 VanDerWaalsContact CG-O 3.3Å; P67-K71 WeakPolarHBondContact CG-O 3.5Å; P67-R73 HydrophobicContact CG-CG 3.8Å; P67-L76 HydrophobicContact CB-CD1 3.98Å; P67-L76 HydrophobicContact CB-CD2 4.41Å; P67-L76 HydrophobicContact CB-CG 4.29Å
68P86.1Confident85.8Confident17 Ų1763.9 Ų63.911%0.1138%0.379CS..SBendtrans-59.7155.6170.617.3-19.9000111.2H10 W19 G70 K71 C90H10-P68 HydrophobicContact CB-CG 4.22Å; W19-P68 HydrophobicContact CB-CB 4.01Å; W19-P68 HydrophobicContact CB-CG 4.49Å; W19-P68 HydrophobicContact CD2-CB 4.35Å; W19-P68 HydrophobicContact CD2-CG 4.07Å; W19-P68 HydrophobicContact CE3-CG 4.43Å; W19-P68 HydrophobicContact CG-CB 3.84Å; W19-P68 HydrophobicContact CG-CG 4.09Å; P68-G70 PolarHBondContact O-N 2.86Å; P68-K71 HydrophobicContact CG-CB 4.1Å; P68-K71 HydrophobicContact CG-CG 3.92Å; P68-K71 WeakPolarHBondContact O-CB 3.33Å; P68-K71 PolarHBondContact O-N 3.06Å; P68-C90 HydrophobicContact CG-CB 3.93Å
69D79.5Confident86.1Confident173 Ų17362.2 Ų62.293%0.92536%0.362SS*.THydrogen-bonded Turntrans-51123.9-172.6-70.3-28.6000112K71D69-K71 VanDerWaalsContact C-N 3.29Å; D69-K71 PolarHBondContact O-N 3.35Å
70G79.6Confident86.4Confident89 Ų8960.5 Ų60.592%0.91835%0.349SS*.THydrogen-bonded Turntrans78.10.417900000115.9P68P68-G70 PolarHBondContact O-N 2.86Å
71K84.5Confident86.8Confident62 Ų6256.8 Ų56.827%0.2732%0.319SS..  trans-90.6142.2174-67.6-61.1-168.3-179.80111.9P67 P68 D69 D92P67-K71 HydrophobicContact CB-CB 4.28Å; P67-K71 WeakPolarHBondContact CB-O 3.09Å; P67-K71 VanDerWaalsContact CG-O 3.3Å; P67-K71 WeakPolarHBondContact CG-O 3.5Å; P68-K71 HydrophobicContact CG-CB 4.1Å; P68-K71 HydrophobicContact CG-CG 3.92Å; P68-K71 WeakPolarHBondContact O-CB 3.33Å; P68-K71 PolarHBondContact O-N 3.06Å; D69-K71 VanDerWaalsContact C-N 3.29Å; D69-K71 PolarHBondContact O-N 3.35Å; K71-D92 WeakPolarHBondContact CE-OD1 3.16Å; K71-D92 PolarHBondContact NZ-O 2.87Å; K71-D92 IonicContact NZ-OD1 2.75Å; K71-D92 PolarHBondContact NZ-OD1 2.79Å
72A84.9Confident87.3Confident53 Ų5363.5 Ų63.544%0.43833%0.332SS..  trans-75.8150.8175.800000110.8D74 A75A72-D74 VanDerWaalsContact C-N 3.26Å; A72-D74 WeakPolarHBondContact CB-OD1 3.47Å; A72-D74 PolarHBondContact O-N 3.28Å; A72-A75 PolarHBondContact O-N 3.43Å
73R88.3Confident87.8Confident140 Ų14068.2 Ų68.253%0.52836%0.357SS..G310 helixtrans-70.7-25.1-176.6-74.5-176.3167.6-168.6-7.2112.9S59 P67 A75 L76S59-R73 WeakPolarHBondContact CB-O 3.45Å; P67-R73 HydrophobicContact CG-CG 3.8Å; R73-A75 PolarHBondContact O-N 3.03Å; R73-L76 HydrophobicContact CB-CD1 4.47Å; R73-L76 HydrophobicContact CG-CD1 4.48Å; R73-L76 WeakPolarHBondContact O-CB 3.33Å; R73-L76 PolarHBondContact O-N 3.07Å; R73-L76 VanDerWaalsContact O-N 3.16Å
74D91Very high88.4Confident84 Ų8463.7 Ų63.745%0.44935%0.352SS..G310 helixtrans-63.5-24.1175.153.93000113.2A72 L76 A94A72-D74 VanDerWaalsContact C-N 3.26Å; A72-D74 WeakPolarHBondContact CB-OD1 3.47Å; A72-D74 PolarHBondContact O-N 3.28Å; D74-L76 VanDerWaalsContact C-N 3.25Å; D74-L76 PolarHBondContact O-N 2.85Å; D74-A94 HydrophobicContact CB-CB 3.93Å
75A93.3Very high89Confident1 Ų159 Ų591%0.00833%0.327CS..G310 helixtrans-78.8-1.8174.200000114.1A72 R73 C90 A91 A97A72-A75 PolarHBondContact O-N 3.43Å; R73-A75 PolarHBondContact O-N 3.03Å; A75-C90 WeakPolarHBondContact O-CA 3.37Å; A75-A91 PolarHBondContact O-N 3.4Å; A75-A97 WeakPolarHBondContact O-CB 3.44Å
76L93.9Very high89.6Confident2 Ų261 Ų611%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-87.1141.7178.8-67.6168.5000112.1W19 G58 S59 C62 L65 P67 R73 D74 L89 C90W19-L76 HydrophobicContact CH2-CD2 3.4Å; W19-L76 VanDerWaalsContact CH2-CD2 3.4Å; W19-L76 HydrophobicContact CZ2-CD2 3.69Å; W19-L76 HydrophobicContact CZ3-CD2 4.34Å; G58-L76 CarbonylContact C-O 3.59Å; S59-L76 WeakPolarHBondContact CA-O 3.37Å; S59-L76 WeakPolarHBondContact CB-O 3.37Å; S59-L76 PolarHBondContact N-O 3.41Å; C62-L76 HydrophobicContact CB-CB 4.17Å; L65-L76 HydrophobicContact CB-CD1 4.14Å; P67-L76 HydrophobicContact CB-CD1 3.98Å; P67-L76 HydrophobicContact CB-CD2 4.41Å; P67-L76 HydrophobicContact CB-CG 4.29Å; R73-L76 HydrophobicContact CB-CD1 4.47Å; R73-L76 HydrophobicContact CG-CD1 4.48Å; R73-L76 WeakPolarHBondContact O-CB 3.33Å; R73-L76 PolarHBondContact O-N 3.07Å; R73-L76 VanDerWaalsContact O-N 3.16Å; D74-L76 VanDerWaalsContact C-N 3.25Å; D74-L76 PolarHBondContact O-N 2.85Å; L76-L89 WeakPolarHBondContact CA-O 3.15Å; L76-C90 HydrophobicContact CD2-CB 3.61Å
77F95.1Very high90Very high1 Ų156.4 Ų56.40%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-152.2161.8169.363.7-78.9000110.4L9 R57 L89 A91 A97 W100 L104L9-F77 HydrophobicContact CD1-CZ 3.89Å; L9-F77 HydrophobicContact CD2-CE1 4.27Å; L9-F77 HydrophobicContact CD2-CZ 4.31Å; R57-F77 CarbonylContact O-C 3.47Å; R57-F77 WeakPolarHBondContact O-CA 3.21Å; R57-F77 VanDerWaalsContact O-CB 3.31Å; R57-F77 WeakPolarHBondContact O-CB 3.41Å; F77-L89 HydrophobicContact CD1-CB 4.23Å; F77-L89 HydrophobicContact CD2-CB 4.2Å; F77-L89 HydrophobicContact CD2-CD1 4.28Å; F77-L89 HydrophobicContact CE1-CB 3.82Å; F77-L89 HydrophobicContact CE2-CB 3.8Å; F77-L89 HydrophobicContact CE2-CD1 3.46Å; F77-L89 VanDerWaalsContact CE2-CD1 3.46Å; F77-L89 HydrophobicContact CE2-CG 4.24Å; F77-L89 HydrophobicContact CG-CB 4.4Å; F77-L89 HydrophobicContact CZ-CB 3.6Å; F77-L89 HydrophobicContact CZ-CD1 3.76Å; F77-L89 HydrophobicContact CZ-CG 4.33Å; F77-L89 PolarHBondContact N-O 3.07Å; F77-L89 PolarHBondContact O-N 3.4Å; F77-A91 HydrophobicContact CE1-CB 4.32Å; F77-A97 HydrophobicContact CD1-CB 3.92Å; F77-A97 HydrophobicContact CE1-CB 4.29Å; F77-W100 HydrophobicContact CE1-CB 4.35Å; F77-W100 HydrophobicContact CE2-CB 4.41Å; F77-W100 HydrophobicContact CZ-CB 3.85Å; F77-W100 HydrophobicContact CZ-CG 4.41Å; F77-L104 HydrophobicContact CE2-CD1 3.79Å
78Q95.3Very high90.6Very high20 Ų2055.5 Ų55.59%0.09331%0.308CS..EExtended strand (participates in β ladder)trans-130.7139-179.5-75.6178.7-28.300111.3I56 R57 L65 V86 I87 S88I56-Q78 CarbonylContact C-O 3.46Å; I56-Q78 WeakPolarHBondContact CA-O 3.37Å; R57-Q78 HydrophobicContact CB-CB 4.15Å; R57-Q78 PolarHBondContact N-O 3.05Å; R57-Q78 PolarHBondContact O-N 2.91Å; L65-Q78 HydrophobicContact CD1-CG 4.01Å; Q78-V86 HydrophobicContact CB-CG1 3.94Å; Q78-V86 HydrophobicContact CG-CG1 3.95Å; Q78-I87 VanDerWaalsContact CA-O 3.3Å; Q78-I87 WeakPolarHBondContact CA-O 3.47Å; Q78-S88 PolarHBondContact NE2-OG 2.88Å; Q78-S88 VanDerWaalsContact NE2-OG 3.12Å
79I95.3Very high91Very high0 Ų054.7 Ų54.70%030%0.303CS..EExtended strand (participates in β ladder)trans-98.5121.8168.5-54.5174.8000107.4L32 M49 C53 V86 I87 L89 L104L32-I79 HydrophobicContact CD2-CD1 3.65Å; M49-I79 HydrophobicContact CE-CG2 4.34Å; M49-I79 HydrophobicContact SD-CD1 4.5Å; C53-I79 HydrophobicContact CB-CG2 4.13Å; I79-V86 WeakPolarHBondContact O-CA 3.42Å; I79-I87 HydrophobicContact CB-CB 4.4Å; I79-I87 PolarHBondContact N-O 3.19Å; I79-I87 PolarHBondContact O-N 2.77Å; I79-L89 HydrophobicContact CD1-CD1 3.71Å; I79-L89 HydrophobicContact CG1-CD1 4.13Å; I79-L104 HydrophobicContact CD1-CD1 3.84Å; I79-L104 HydrophobicContact CD1-CD2 4.48Å; I79-L104 HydrophobicContact CG1-CD1 4.29Å
80V94.5Very high91.7Very high13 Ų1346.5 Ų46.58%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-100.6120175.9-174.40000108.2I54 N55 R57 V86I54-V80 HydrophobicContact CD1-CG1 3.88Å; I54-V80 HydrophobicContact CG1-CB 4.19Å; I54-V80 HydrophobicContact CG1-CG1 3.82Å; I54-V80 VanDerWaalsContact CG1-O 3.29Å; I54-V80 WeakPolarHBondContact CG1-O 3.24Å; I54-V80 PolarHBondContact N-O 3Å; N55-V80 HydrophobicContact CB-CB 4.13Å; N55-V80 HydrophobicContact CB-CG2 4.37Å; N55-V80 PolarHBondContact N-O 2.88Å; N55-V80 PolarHBondContact O-N 3.15Å; R57-V80 HydrophobicContact CG-CG2 4.21Å; V80-V86 HydrophobicContact CG1-CG2 4.33Å; V80-V86 HydrophobicContact CG2-CG2 4.38Å
81C94.8Very high92.5Very high0 Ų042.2 Ų42.20%022%0.216CC..EExtended strand (participates in β ladder)trans-95.9157.2179-64.10000111.8H52 D83 G84 R85H52-C81 CarbonylContact O-C 3.59Å; H52-C81 WeakPolarHBondContact O-CA 3.45Å; C81-D83 WeakPolarHBondContact CB-OD1 3.45Å; C81-D83 PolarHBondContact O-N 3.15Å; C81-G84 PolarHBondContact O-N 3.06Å; C81-R85 HydrophobicContact CB-CB 4.14Å; C81-R85 WeakPolarHBondContact CB-O 3.29Å; C81-R85 PolarHBondContact N-O 3.07Å
82R93.7Very high92.9Very high198 Ų19842.4 Ų42.475%0.74722%0.219SC*.THydrogen-bonded Turntrans-63.5-28.5-177.2-171.9176.3-1801760.7113.5H52 I54 G84H52-R82 PolarHBondContact O-N 2.81Å; I54-R82 HydrophobicContact CG2-CB 3.71Å; I54-R82 HydrophobicContact CG2-CG 4.15Å; R82-G84 PolarHBondContact O-N 3.33Å
83D91.5Very high93.2Very high105 Ų10541.9 Ų41.956%0.56121%0.212SC*.THydrogen-bonded Turntrans-74.5-0.6174.960.1-9.2000113.2C81 R85C81-D83 WeakPolarHBondContact CB-OD1 3.45Å; C81-D83 PolarHBondContact O-N 3.15Å; D83-R85 VanDerWaalsContact C-N 3.28Å; D83-R85 WeakPolarHBondContact OD1-CB 3.38Å; D83-R85 PolarHBondContact OD1-N 2.76Å; D83-R85 IonicContact OD2-CZ 2.86Å; D83-R85 IonicContact OD2-NE 2.68Å; D83-R85 PolarHBondContact OD2-NE 3.46Å
84G89.3Confident93.5Very high59 Ų5936.5 Ų36.561%0.60820%0.198SC*.SBendtrans84.8-1.5-175.800000113.6C81 R82 V86C81-G84 PolarHBondContact O-N 3.06Å; R82-G84 PolarHBondContact O-N 3.33Å; G84-V86 PolarHBondContact O-N 2.92Å
85R91.3Very high93.7Very high74 Ų7438.3 Ų38.328%0.27921%0.208SC..  trans-68131.4174.7-177.6168.356159.15.5109.4D45 C81 D83 I87D45-R85 IonicContact OD1-NH1 3.97Å; D45-R85 IonicContact OD2-CZ 3.95Å; D45-R85 IonicContact OD2-NH1 3.4Å; D45-R85 PolarHBondContact OD2-NH1 3.38Å; C81-R85 HydrophobicContact CB-CB 4.14Å; C81-R85 WeakPolarHBondContact CB-O 3.29Å; C81-R85 PolarHBondContact N-O 3.07Å; D83-R85 VanDerWaalsContact C-N 3.28Å; D83-R85 WeakPolarHBondContact OD1-CB 3.38Å; D83-R85 PolarHBondContact OD1-N 2.76Å; D83-R85 IonicContact OD2-CZ 2.86Å; D83-R85 IonicContact OD2-NE 2.68Å; D83-R85 PolarHBondContact OD2-NE 3.46Å; R85-I87 HydrophobicContact CG-CG1 4.18Å
86V92.6Very high93.7Very high51 Ų5141.4 Ų41.431%0.30922%0.224SC..EExtended strand (participates in β ladder)trans-117.5125.1174.6-177.70000108.6Q78 I79 V80 G84Q78-V86 HydrophobicContact CB-CG1 3.94Å; Q78-V86 HydrophobicContact CG-CG1 3.95Å; I79-V86 WeakPolarHBondContact O-CA 3.42Å; V80-V86 HydrophobicContact CG1-CG2 4.33Å; V80-V86 HydrophobicContact CG2-CG2 4.38Å; G84-V86 PolarHBondContact O-N 2.92Å
87I93.5Very high93.8Very high13 Ų1341.6 Ų41.67%0.06723%0.226CC..EExtended strand (participates in β ladder)trans-109.3106.1-178.5-56.6176.3000107.8R11 I47 Q78 I79 R85 L89R11-I87 HydrophobicContact CG-CG2 4.18Å; I47-I87 HydrophobicContact CD1-CD1 3.07Å; I47-I87 HydrophobicContact CG1-CD1 4.18Å; Q78-I87 VanDerWaalsContact CA-O 3.3Å; Q78-I87 WeakPolarHBondContact CA-O 3.47Å; I79-I87 HydrophobicContact CB-CB 4.4Å; I79-I87 PolarHBondContact N-O 3.19Å; I79-I87 PolarHBondContact O-N 2.77Å; R85-I87 HydrophobicContact CG-CG1 4.18Å; I87-L89 HydrophobicContact CG2-CD1 4.48Å; I87-L89 HydrophobicContact CG2-CD2 3.95Å; I87-L89 HydrophobicContact CG2-CG 4.08Å
88S94.3Very high93.7Very high10 Ų1046.2 Ų46.27%0.0725%0.25CS..EExtended strand (participates in β ladder)trans-81.2125.4175.9-52.70000110.5Q12 L65 Q78Q12-S88 PolarHBondContact N-O 2.78Å; Q12-S88 PolarHBondContact OE1-OG 2.81Å; L65-S88 WeakPolarHBondContact CD1-OG 3.13Å; Q78-S88 PolarHBondContact NE2-OG 2.88Å; Q78-S88 VanDerWaalsContact NE2-OG 3.12Å
89L95.2Very high93.8Very high1 Ų147.1 Ų47.11%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-125.8147.1-178-61173.1000110L9 H10 R11 F24 L76 F77 I79 I87L9-L89 HydrophobicContact CD1-CD1 4.34Å; H10-L89 CarbonylContact O-C 3.42Å; H10-L89 VanDerWaalsContact O-CA 3.24Å; H10-L89 WeakPolarHBondContact O-CA 3.39Å; R11-L89 HydrophobicContact CB-CD2 3.97Å; R11-L89 HydrophobicContact CG-CD2 3.92Å; F24-L89 HydrophobicContact CE1-CD1 4.34Å; F24-L89 HydrophobicContact CE1-CD2 3.9Å; F24-L89 HydrophobicContact CE2-CD2 4.18Å; F24-L89 HydrophobicContact CZ-CD2 3.41Å; F24-L89 VanDerWaalsContact CZ-CD2 3.41Å; L76-L89 WeakPolarHBondContact CA-O 3.15Å; F77-L89 HydrophobicContact CD1-CB 4.23Å; F77-L89 HydrophobicContact CD2-CB 4.2Å; F77-L89 HydrophobicContact CD2-CD1 4.28Å; F77-L89 HydrophobicContact CE1-CB 3.82Å; F77-L89 HydrophobicContact CE2-CB 3.8Å; F77-L89 HydrophobicContact CE2-CD1 3.46Å; F77-L89 VanDerWaalsContact CE2-CD1 3.46Å; F77-L89 HydrophobicContact CE2-CG 4.24Å; F77-L89 HydrophobicContact CG-CB 4.4Å; F77-L89 HydrophobicContact CZ-CB 3.6Å; F77-L89 HydrophobicContact CZ-CD1 3.76Å; F77-L89 HydrophobicContact CZ-CG 4.33Å; F77-L89 PolarHBondContact N-O 3.07Å; F77-L89 PolarHBondContact O-N 3.4Å; I79-L89 HydrophobicContact CD1-CD1 3.71Å; I79-L89 HydrophobicContact CG1-CD1 4.13Å; I87-L89 HydrophobicContact CG2-CD1 4.48Å; I87-L89 HydrophobicContact CG2-CD2 3.95Å; I87-L89 HydrophobicContact CG2-CG 4.08Å
90C95Very high93.8Very high0 Ų047.5 Ų47.50%026%0.262CS..EExtended strand (participates in β ladder)trans-130.4122.8171.4-169.50000108.8H10 W19 P68 A75 L76H10-C90 HydrophobicContact CB-CB 4.11Å; H10-C90 PolarHBondContact N-O 2.75Å; H10-C90 PolarHBondContact O-N 3.39Å; W19-C90 HydrophobicContact CE3-CB 4.27Å; W19-C90 HydrophobicContact CH2-CB 4.09Å; W19-C90 HydrophobicContact CZ3-CB 3.79Å; P68-C90 HydrophobicContact CG-CB 3.93Å; A75-C90 WeakPolarHBondContact O-CA 3.37Å; L76-C90 HydrophobicContact CD2-CB 3.61Å
91A95.1Very high93.8Very high0 Ų048.1 Ų48.10%027%0.266CS..  trans-81.3176.9171.700000111.4L9 A75 F77 D96 A97L9-A91 HydrophobicContact CD2-CB 3.71Å; A75-A91 PolarHBondContact O-N 3.4Å; F77-A91 HydrophobicContact CE1-CB 4.32Å; A91-D96 HydrophobicContact CB-CB 3.75Å; A91-A97 HydrophobicContact CB-CB 3.82Å
92D92.6Very high93.8Very high65 Ų6554.5 Ų54.535%0.34830%0.297SS..SBendtrans-75.3-27.8178.3-82.7-36.4000113H10 R21 K71H10-D92 IonicContact CE1-OD1 3.97Å; R21-D92 IonicContact NH2-OD2 3.14Å; K71-D92 WeakPolarHBondContact CE-OD1 3.16Å; K71-D92 PolarHBondContact NZ-O 2.87Å; K71-D92 IonicContact NZ-OD1 2.75Å; K71-D92 PolarHBondContact NZ-OD1 2.79Å
93S92.8Very high93.9Very high42 Ų4245.9 Ų45.929%0.29427%0.269SS..SBendtrans-143.5166.9179.468.40000111.6D95 D96 A97S93-D95 VanDerWaalsContact C-N 3.33Å; S93-D96 PolarHBondContact O-N 2.96Å; S93-D96 WeakPolarHBondContact OG-CB 3.21Å; S93-D96 PolarHBondContact OG-N 2.92Å; S93-D96 PolarHBondContact OG-OD2 2.91Å; S93-A97 PolarHBondContact O-N 2.89Å; S93-A97 VanDerWaalsContact O-N 3.07Å
94A93.1Very high94.1Very high28 Ų2840.9 Ų40.923%0.23124%0.242CC..Hα-helixtrans-61.9-41.1173.500000112D74 A97 L98D74-A94 HydrophobicContact CB-CB 3.93Å; A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 2.84Å; A94-L98 WeakPolarHBondContact O-CG 3.5Å; A94-L98 PolarHBondContact O-N 2.87Å
95D94.9Very high94.3Very high122 Ų12240.7 Ų40.765%0.65223%0.225SC*.Hα-helixtrans-65.7-40.5179.1-62.9-35.7000111.5S93 A97 L98 A99S93-D95 VanDerWaalsContact C-N 3.33Å; D95-A97 VanDerWaalsContact C-N 3.34Å; D95-A97 PolarHBondContact O-N 3.5Å; D95-L98 PolarHBondContact O-N 3.03Å; D95-A99 WeakPolarHBondContact O-CB 3.44Å; D95-A99 PolarHBondContact O-N 2.79Å
96D94.8Very high94.4Very high66 Ų6641.2 Ų41.235%0.35323%0.234SC..Hα-helixtrans-63.3-41.9173.9-72.8-45.7000111.5A91 S93 L98 A99 W100A91-D96 HydrophobicContact CB-CB 3.75Å; S93-D96 PolarHBondContact O-N 2.96Å; S93-D96 WeakPolarHBondContact OG-CB 3.21Å; S93-D96 PolarHBondContact OG-N 2.92Å; S93-D96 PolarHBondContact OG-OD2 2.91Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 2.83Å; D96-A99 PolarHBondContact O-N 2.94Å; D96-W100 WeakPolarHBondContact O-CB 3.18Å; D96-W100 PolarHBondContact O-N 3.5Å
97A94.4Very high94.4Very high5 Ų539.2 Ų39.24%0.04122%0.222CC..Hα-helixtrans-61.2-40.8176.300000111.5A75 F77 A91 S93 A94 D95 T101A75-A97 WeakPolarHBondContact O-CB 3.44Å; F77-A97 HydrophobicContact CD1-CB 3.92Å; F77-A97 HydrophobicContact CE1-CB 4.29Å; A91-A97 HydrophobicContact CB-CB 3.82Å; S93-A97 PolarHBondContact O-N 2.89Å; S93-A97 VanDerWaalsContact O-N 3.07Å; A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 2.84Å; D95-A97 VanDerWaalsContact C-N 3.34Å; D95-A97 PolarHBondContact O-N 3.5Å; A97-T101 VanDerWaalsContact O-CB 3.32Å; A97-T101 WeakPolarHBondContact O-CB 3.38Å; A97-T101 PolarHBondContact O-N 2.84Å; A97-T101 PolarHBondContact O-OG1 3.14Å
98L94.4Very high94.2Very high99 Ų9941.3 Ų41.352%0.51823%0.23SC..Hα-helixtrans-64.2-46.9174-71.7174.9000111.5A94 D95 D96 W100 T101 M102A94-L98 WeakPolarHBondContact O-CG 3.5Å; A94-L98 PolarHBondContact O-N 2.87Å; D95-L98 PolarHBondContact O-N 3.03Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 2.83Å; L98-W100 VanDerWaalsContact C-N 3.33Å; L98-W100 PolarHBondContact O-N 2.86Å; L98-T101 PolarHBondContact O-N 3.35Å; L98-T101 VanDerWaalsContact O-N 3.15Å; L98-M102 WeakPolarHBondContact O-CG 3.3Å; L98-M102 PolarHBondContact O-N 3.12Å
99A95.9Very high93.8Very high38 Ų3846.3 Ų46.331%0.31425%0.254SS..Hα-helixtrans-60.5-42178.500000112.1D95 D96 A103D95-A99 WeakPolarHBondContact O-CB 3.44Å; D95-A99 PolarHBondContact O-N 2.79Å; D96-A99 PolarHBondContact O-N 2.94Å; A99-A103 WeakPolarHBondContact O-CB 3.22Å; A99-A103 PolarHBondContact O-N 3.36Å
100W96.4Very high92.8Very high9 Ų950.1 Ų50.13%0.03428%0.275CS..Hα-helixtrans-64.5-45.2172.8-84108.3000111.9K5 L9 F24 L26 L32 F77 D96 L98 M102 A103 L104K5-W100 HydrophobicContact CB-CH2 4.32Å; K5-W100 HydrophobicContact CB-CZ3 4.24Å; K5-W100 HydrophobicContact CD-CD2 3.75Å; K5-W100 HydrophobicContact CD-CE3 3.77Å; K5-W100 HydrophobicContact CD-CG 4.34Å; K5-W100 HydrophobicContact CD-CH2 4.17Å; K5-W100 HydrophobicContact CD-CZ2 4.15Å; K5-W100 HydrophobicContact CD-CZ3 3.98Å; K5-W100 HydrophobicContact CG-CD2 4.48Å; K5-W100 HydrophobicContact CG-CE3 4.33Å; K5-W100 HydrophobicContact CG-CH2 3.86Å; K5-W100 HydrophobicContact CG-CZ2 4.01Å; K5-W100 HydrophobicContact CG-CZ3 4.03Å; L9-W100 HydrophobicContact CD1-CD2 3.93Å; L9-W100 HydrophobicContact CD1-CE3 4.35Å; L9-W100 HydrophobicContact CD1-CG 4.2Å; L9-W100 HydrophobicContact CD1-CZ2 4.31Å; L9-W100 HydrophobicContact CD2-CG 4.25Å; L9-W100 HydrophobicContact CG-CZ2 4.44Å; F24-W100 HydrophobicContact CB-CH2 3.83Å; F24-W100 HydrophobicContact CB-CZ2 4.35Å; F24-W100 HydrophobicContact CB-CZ3 4.35Å; L26-W100 HydrophobicContact CB-CZ3 4.27Å; L32-W100 HydrophobicContact CD1-CZ3 4.38Å; F77-W100 HydrophobicContact CE1-CB 4.35Å; F77-W100 HydrophobicContact CE2-CB 4.41Å; F77-W100 HydrophobicContact CZ-CB 3.85Å; F77-W100 HydrophobicContact CZ-CG 4.41Å; D96-W100 WeakPolarHBondContact O-CB 3.18Å; D96-W100 PolarHBondContact O-N 3.5Å; L98-W100 VanDerWaalsContact C-N 3.33Å; L98-W100 PolarHBondContact O-N 2.86Å; W100-M102 VanDerWaalsContact C-N 3.33Å; W100-M102 PolarHBondContact O-N 3.4Å; W100-A103 PolarHBondContact O-N 3.38Å; W100-L104 WeakPolarHBondContact O-CB 3.46Å; W100-L104 WeakPolarHBondContact O-CD1 3.49Å; W100-L104 WeakPolarHBondContact O-CG 3.43Å; W100-L104 PolarHBondContact O-N 3.28Å
101T95.3Very high91Very high25 Ų2553.8 Ų53.815%0.15330%0.297CS..Hα-helixtrans-58.9-45.3178-61.30000111.2I56 A97 L98 L104 Q105I56-T101 HydrophobicContact CG2-CG2 3.94Å; A97-T101 VanDerWaalsContact O-CB 3.32Å; A97-T101 WeakPolarHBondContact O-CB 3.38Å; A97-T101 PolarHBondContact O-N 2.84Å; A97-T101 PolarHBondContact O-OG1 3.14Å; L98-T101 PolarHBondContact O-N 3.35Å; L98-T101 VanDerWaalsContact O-N 3.15Å; T101-L104 PolarHBondContact O-N 2.9Å; T101-Q105 HydrophobicContact CG2-CG 4.23Å; T101-Q105 WeakPolarHBondContact O-CB 3.04Å; T101-Q105 WeakPolarHBondContact O-CG 3.46Å; T101-Q105 PolarHBondContact O-N 3.27Å
102M94.5Very high89.1Confident134 Ų13458.3 Ų58.366%0.6633%0.325SS*.Hα-helixtrans-61.6-47.3176.8-71.2177.6179.600111.9L98 W100 L104 Q105 D106L98-M102 WeakPolarHBondContact O-CG 3.3Å; L98-M102 PolarHBondContact O-N 3.12Å; W100-M102 VanDerWaalsContact C-N 3.33Å; W100-M102 PolarHBondContact O-N 3.4Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 2.6Å; M102-Q105 PolarHBondContact O-N 2.61Å; M102-D106 PolarHBondContact O-N 2.93Å
103A94.7Very high86.9Confident18 Ų1860.5 Ų60.515%0.14934%0.34CS..Hα-helixtrans-62.8-38.5178.900000112.5K5 L26 A99 W100 D106 A107K5-A103 HydrophobicContact CD-CB 4.13Å; L26-A103 HydrophobicContact CD2-CB 3.81Å; A99-A103 WeakPolarHBondContact O-CB 3.22Å; A99-A103 PolarHBondContact O-N 3.36Å; W100-A103 PolarHBondContact O-N 3.38Å; A103-D106 PolarHBondContact O-N 3.2Å; A103-A107 WeakPolarHBondContact O-CB 3.34Å; A103-A107 PolarHBondContact O-N 2.83Å
104L95.3Very high84.4Confident0 Ų061.8 Ų61.80%035%0.353CS..Hα-helixtrans-72.4-37.1177.7-70171.5000112.5L26 L32 M49 I56 F77 I79 W100 T101 M102 R108L26-L104 HydrophobicContact CD1-CD2 4.15Å; L26-L104 HydrophobicContact CD2-CD2 4.35Å; L32-L104 HydrophobicContact CD1-CD2 4.02Å; L32-L104 HydrophobicContact CD2-CD2 3.78Å; L32-L104 HydrophobicContact CG-CD2 4.33Å; M49-L104 HydrophobicContact CE-CB 3.74Å; M49-L104 HydrophobicContact CE-CD2 3.64Å; M49-L104 HydrophobicContact CE-CG 4.2Å; M49-L104 HydrophobicContact CG-CD2 4.2Å; M49-L104 HydrophobicContact SD-CD2 3.79Å; I56-L104 HydrophobicContact CD1-CB 3.54Å; F77-L104 HydrophobicContact CE2-CD1 3.79Å; I79-L104 HydrophobicContact CD1-CD1 3.84Å; I79-L104 HydrophobicContact CD1-CD2 4.48Å; I79-L104 HydrophobicContact CG1-CD1 4.29Å; W100-L104 WeakPolarHBondContact O-CB 3.46Å; W100-L104 WeakPolarHBondContact O-CD1 3.49Å; W100-L104 WeakPolarHBondContact O-CG 3.43Å; W100-L104 PolarHBondContact O-N 3.28Å; T101-L104 PolarHBondContact O-N 2.9Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 2.6Å; L104-R108 PolarHBondContact O-N 2.73Å
105Q94.6Very high81.9Confident55 Ų5563.9 Ų63.926%0.25737%0.37SS..Hα-helixtrans-61.8-45.9172.1-73.9-79.8-12.200110.3I56 T101 M102 R108 I109I56-Q105 HydrophobicContact CD1-CB 4.5Å; I56-Q105 HydrophobicContact CD1-CG 3.89Å; T101-Q105 HydrophobicContact CG2-CG 4.23Å; T101-Q105 WeakPolarHBondContact O-CB 3.04Å; T101-Q105 WeakPolarHBondContact O-CG 3.46Å; T101-Q105 PolarHBondContact O-N 3.27Å; M102-Q105 PolarHBondContact O-N 2.61Å; Q105-R108 WeakPolarHBondContact O-CB 2.96Å; Q105-R108 PolarHBondContact O-N 3.47Å; Q105-I109 PolarHBondContact O-N 2.96Å
106D92.8Very high79.4Confident84 Ų8463.4 Ų63.445%0.44937%0.374SS..Hα-helixtrans-59.5-55.8175.2-173.258.3000110.1M102 A103 R108 I109 N110M102-D106 PolarHBondContact O-N 2.93Å; A103-D106 PolarHBondContact O-N 3.2Å; D106-R108 PolarHBondContact O-N 2.77Å; D106-I109 PolarHBondContact O-N 3.36Å; D106-N110 WeakPolarHBondContact O-CB 3.47Å; D106-N110 PolarHBondContact O-N 2.86Å; D106-N110 PolarHBondContact OD2-ND2 2.89Å
107A92.3Very high76.8Confident9 Ų968 Ų687%0.07439%0.394CS..Hα-helixtrans-56.3-23.4178.800000115.1L26 M49 A103L26-A107 HydrophobicContact CD1-CB 3.8Å; L26-A107 HydrophobicContact CD2-CB 4.11Å; L26-A107 HydrophobicContact CG-CB 4.37Å; M49-A107 HydrophobicContact CB-CB 4.15Å; M49-A107 HydrophobicContact CG-CB 4.26Å; A103-A107 WeakPolarHBondContact O-CB 3.34Å; A103-A107 PolarHBondContact O-N 2.83Å
108R90.9Very high74.8Confident58 Ų5876.3 Ų76.322%0.21944%0.435CS..Hα-helixtrans-73-40.5172.8-169.6-174.370.7-114.8-3.4112.1R50 C53 L104 Q105 D106R50-R108 WeakPolarHBondContact CG-O 3.44Å; C53-R108 VanDerWaalsContact O-CD 3.31Å; C53-R108 WeakPolarHBondContact O-CD 3.04Å; L104-R108 PolarHBondContact O-N 2.73Å; Q105-R108 WeakPolarHBondContact O-CB 2.96Å; Q105-R108 PolarHBondContact O-N 3.47Å; D106-R108 PolarHBondContact O-N 2.77Å
109I85.8Confident72.3Confident115 Ų11573.7 Ų73.759%0.5943%0.432SS*.Hα-helixtrans-94.5-29.1-173.1-56.1168.5000111.4Q105 D106 T111Q105-I109 PolarHBondContact O-N 2.96Å; D106-I109 PolarHBondContact O-N 3.36Å; I109-T111 VanDerWaalsContact C-N 3.3Å; I109-T111 PolarHBondContact O-N 3.14Å
110N72.4Confident70.1Confident80 Ų8082.7 Ų82.743%0.42847%0.465SS..  trans-66.190.7-176-146.7-14.2000107.8R50 D106R50-N110 VanDerWaalsContact CZ-O 3.3Å; R50-N110 PolarHBondContact NE-O 3.27Å; R50-N110 PolarHBondContact NH2-O 2.86Å; D106-N110 WeakPolarHBondContact O-CB 3.47Å; D106-N110 PolarHBondContact O-N 2.86Å; D106-N110 PolarHBondContact OD2-ND2 2.89Å
111T58.5Low67.3Low77 Ų7786.4 Ų86.447%0.47250%0.497SS..  trans-58129.515643.40000105.9R50 I109 V113R50-T111 VanDerWaalsContact CZ-CA 3.43Å; R50-T111 VanDerWaalsContact NH2-CA 3.31Å; I109-T111 VanDerWaalsContact C-N 3.3Å; I109-T111 PolarHBondContact O-N 3.14Å; T111-V113 PolarHBondContact O-N 2.68Å
112V54.3Low64.8Low96 Ų9693.6 Ų93.658%0.58253%0.529SS*.  trans-63.675.2164.8-178.40000106.6A114V112-A114 VanDerWaalsContact C-N 3.3Å; V112-A114 PolarHBondContact O-N 3.2Å
113V46Very low62.4Low111 Ų11196.1 Ų96.167%0.67354%0.539SS*.  trans-68.4107.2142.1-179.20000100.3T111 A115T111-V113 PolarHBondContact O-N 2.68Å; V113-A115 PolarHBondContact O-N 2.75Å
114A40.2Very low60.3Low68 Ų68101.6 Ų101.656%0.56257%0.57SS**  trans-44.2114.716700000106.1V112 P116V112-A114 VanDerWaalsContact C-N 3.3Å; V112-A114 PolarHBondContact O-N 3.2Å; A114-P116 WeakPolarHBondContact O-CD 3.4Å
115A41.3Very low58.2Low72 Ų72107.2 Ų107.260%0.59561%0.605SS**PPolyproline II helixtrans-49.7122.8163.600000104.3V113 Q117V113-A115 PolarHBondContact O-N 2.75Å; A115-Q117 PolarHBondContact O-N 3.07Å
116P42.6Very low55.8Low112 Ų112108.9 Ų108.973%0.72763%0.628SS**PPolyproline II helixtrans-57117.4172.224.3-28.6000103.7A114 I118A114-P116 WeakPolarHBondContact O-CD 3.4Å; P116-I118 PolarHBondContact O-N 3.05Å
117Q41.1Very low53.9Low164 Ų164109.9 Ų109.977%0.76664%0.642SS**PPolyproline II helixtrans-50.4117.3179.3-49-65.6-19.400104.7A115 G119A115-Q117 PolarHBondContact O-N 3.07Å; Q117-G119 PolarHBondContact O-N 2.95Å
118I52Low51.9Low179 Ų179113.4 Ų113.492%0.91867%0.671SS**  trans-72.269.9163.9-57.6167.1000104.4P116P116-I118 PolarHBondContact O-N 3.05Å
119G41.4Very low50.1Low44 Ų44116.1 Ų116.145%0.45470%0.695SS.*SBendtrans-118.2124.9170.900000104.2Q117 A121Q117-G119 PolarHBondContact O-N 2.95Å; G119-A121 VanDerWaalsContact C-N 3.28Å; G119-A121 PolarHBondContact O-N 3.03Å
120F49.4Very low48.6Very low227 Ų227116 Ų116100%0.99670%0.702SS**  trans-47.191.4175.8-64.2-92.8000110.6
121A37.9Very low47.4Very low87 Ų87117.3 Ų117.372%0.71972%0.715SS**  trans-125.7115.617400000105.3G119G119-A121 VanDerWaalsContact C-N 3.28Å; G119-A121 PolarHBondContact O-N 3.03Å
122Q43.2Very low46.9Very low175 Ų175122.9 Ų122.982%0.81873%0.729SS**  trans-2122.8163.6-155.694.8-8.300113.8V124Q122-V124 VanDerWaalsContact C-N 3.3Å; Q122-V124 PolarHBondContact O-N 3.49Å
123E44.2Very low46.6Very low187 Ų187123.3 Ų123.387%0.87474%0.736SS**  trans-45.195.4166.8-81.2173.5140.600110.1V125E123-V125 PolarHBondContact O-N 3.36Å
124V50.6Low46.3Very low133 Ų133126.8 Ų126.881%0.80675%0.745SS**  trans-75.590161.3178.80000103.4Q122 A126Q122-V124 VanDerWaalsContact C-N 3.3Å; Q122-V124 PolarHBondContact O-N 3.49Å; V124-A126 PolarHBondContact O-N 2.86Å
125V51Low46.3Very low119 Ų119131.4 Ų131.472%0.72175%0.749SS**  trans-48.2110163.3170.10000105.8E123 S127E123-V125 PolarHBondContact O-N 3.36Å; V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.19Å
126A43.2Very low46.4Very low90 Ų90132.8 Ų132.874%0.74476%0.761SS**  trans-59.1103168.400000105.6V124 A128V124-A126 PolarHBondContact O-N 2.86Å; A126-A128 PolarHBondContact O-N 3.31Å
127S53.4Low46.6Very low105 Ų105135.6 Ų135.673%0.73476%0.764SS**  trans-57.5117.6169.257.30000106V125V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.19Å
128A51.3Low46.5Very low83 Ų83133.2 Ų133.269%0.68676%0.763SS**  trans-45.3138.1174.800000108.9A126A126-A128 PolarHBondContact O-N 3.31Å
129P51.6Low46.2Very low114 Ų114132.2 Ų132.274%0.7475%0.754SS**PPolyproline II helixtrans-51.2138.8174.121.4-31.2000108.4
130P54.6Low46.4Very low113 Ų113136 Ų13673%0.73477%0.768SS**PPolyproline II helixtrans-51.2136.3178.920.9-31.4000108.3Y132P130-Y132 PolarHBondContact O-N 3.15Å
131P47.9Very low46.4Very low108 Ų108130.9 Ų130.970%0.70174%0.743SS**PPolyproline II helixtrans-54.2123.5-177.821.3-31.2000108.3S133P131-S133 PolarHBondContact O-N 3Å
132Y46.8Very low47Very low194 Ų194129.7 Ų129.776%0.76173%0.733SS**SBendtrans-75.256.4176.9-147.3-87.1000109.1P130 Y135P130-Y132 PolarHBondContact O-N 3.15Å; Y132-Y135 AromaticContact CD1-CD2 3.91Å; Y132-Y135 HydrophobicContact CD1-CD2 3.91Å; Y132-Y135 HydrophobicContact CD1-CE2 4.33Å; Y132-Y135 AromaticContact CE1-CD2 3.35Å; Y132-Y135 HydrophobicContact CE1-CD2 3.35Å; Y132-Y135 AromaticContact CE1-CE2 3.52Å; Y132-Y135 HydrophobicContact CE1-CE2 3.52Å; Y132-Y135 HydrophobicContact CE1-CG 4.47Å; Y132-Y135 HydrophobicContact CE2-CE2 4.37Å; Y132-Y135 AromaticContact CZ-CD2 3.92Å; Y132-Y135 AromaticContact CZ-CE2 3.55Å; Y132-Y135 WeakPolarHBondContact OH-CE2 3.41Å
133S49.7Very low47Very low105 Ų105126.4 Ų126.473%0.73473%0.727SS**  trans-110.32-176.5-54.90000112.4P131P131-S133 PolarHBondContact O-N 3Å
134E39.9Very low47.2Very low184 Ų184118.4 Ų118.486%0.8670%0.695SS**  trans-103.436.5-179.7-150.1174.1-167.300112.6
135Y40.1Very low47.3Very low164 Ų164118.6 Ų118.664%0.64370%0.699SS**SBendtrans-111.8110.9155-75.1-81.5000107.4Y132 Q137Y132-Y135 AromaticContact CD1-CD2 3.91Å; Y132-Y135 HydrophobicContact CD1-CD2 3.91Å; Y132-Y135 HydrophobicContact CD1-CE2 4.33Å; Y132-Y135 AromaticContact CE1-CD2 3.35Å; Y132-Y135 HydrophobicContact CE1-CD2 3.35Å; Y132-Y135 AromaticContact CE1-CE2 3.52Å; Y132-Y135 HydrophobicContact CE1-CE2 3.52Å; Y132-Y135 HydrophobicContact CE1-CG 4.47Å; Y132-Y135 HydrophobicContact CE2-CE2 4.37Å; Y132-Y135 AromaticContact CZ-CD2 3.92Å; Y132-Y135 AromaticContact CZ-CE2 3.55Å; Y132-Y135 WeakPolarHBondContact OH-CE2 3.41Å; Y135-Q137 PolarHBondContact O-N 2.74Å
136A43.5Very low47.2Very low102 Ų102124 Ų12484%0.84371%0.708SS**  trans-49.1109.6168.800000108.2
137Q45.5Very low47.7Very low171 Ų171122.5 Ų122.580%0.79970%0.701SS**  trans-60.3132.8173.2-64.8-173.1-25.900107.6Y135 Q139Y135-Q137 PolarHBondContact O-N 2.74Å; Q137-Q139 PolarHBondContact O-N 3.25Å; Q137-Q139 VanDerWaalsContact O-N 3.13Å
138P39.8Very low47.5Very low113 Ų113123.6 Ų123.673%0.73470%0.699SS**  trans-59.8122169.623.2-29.6000107.9V140P138-V140 PolarHBondContact O-N 3.37Å
139Q45.4Very low47Very low159 Ų159127.3 Ų127.374%0.74370%0.696SS**  trans-62.1100.9177.5-68.4-179.9-53.100108.8Q137 Y141Q137-Q139 PolarHBondContact O-N 3.25Å; Q137-Q139 VanDerWaalsContact O-N 3.13Å; Q139-Y141 HydrophobicContact CB-CD2 4.39Å; Q139-Y141 HydrophobicContact CB-CE2 4.2Å; Q139-Y141 PolarHBondContact O-N 3.16Å
140V45Very low46.9Very low123 Ų123126.2 Ų126.275%0.74569%0.688SS**  trans-81.1102.9173.2-177.50000107.6P138P138-V140 PolarHBondContact O-N 3.37Å
141Y50.3Low46.5Very low119 Ų119124.5 Ų124.547%0.46768%0.683SS.*PPolyproline II helixtrans-77.5124171.5-84.7-86.2000110Q139 Y149Q139-Y141 HydrophobicContact CB-CD2 4.39Å; Q139-Y141 HydrophobicContact CB-CE2 4.2Å; Q139-Y141 PolarHBondContact O-N 3.16Å; Y141-Y149 HydrophobicContact CD1-CD1 4.38Å; Y141-Y149 HydrophobicContact CD1-CG 4.42Å; Y141-Y149 HydrophobicContact CG-CD1 4.41Å
142A50.2Low46.5Very low62 Ų62123.9 Ų123.951%0.51268%0.679SS.*PPolyproline II helixtrans-96.4142.6171.100000110.1G144A142-G144 PolarHBondContact O-N 3.27Å
143P42.8Very low46.4Very low107 Ų107119.7 Ų119.770%0.69568%0.676SS**BIsolated β-bridgetrans-72.2128.1178.6-2.315.5000111.2
144G48.6Very low46.4Very low19 Ų19121.5 Ų121.520%0.19668%0.682CS.*PPolyproline II helixtrans-73.8160.717100000112.6A142 Y146 G147 D148A142-G144 PolarHBondContact O-N 3.27Å; G144-Y146 PolarHBondContact O-N 3.09Å; G144-G147 PolarHBondContact O-N 3.32Å; G144-G147 VanDerWaalsContact O-N 3.07Å; G144-D148 PolarHBondContact N-O 2.91Å
145P52.4Low46.8Very low136 Ų136120.3 Ų120.388%0.88368%0.676SS**THydrogen-bonded Turntrans-66.7-0.7-174.325-33.3000115.6
146Y50.2Low47Very low232 Ų232118.1 Ų118.191%0.9168%0.682SS**THydrogen-bonded Turntrans-129.515.5173.9-92-87.9000113.8G144G144-Y146 PolarHBondContact O-N 3.09Å
147G52.9Low47.3Very low59 Ų59117.9 Ų117.961%0.60867%0.67SS**SBendtrans905171.400000116.6G144G144-G147 PolarHBondContact O-N 3.32Å; G144-G147 VanDerWaalsContact O-N 3.07Å
148D49.2Very low47.5Very low129 Ų129116.9 Ų116.969%0.6967%0.666SS**  trans-88.9144.3169.2-90.8-26.6000112.2G144G144-D148 PolarHBondContact N-O 2.91Å
149Y41.2Very low48.1Very low160 Ų160116.5 Ų116.563%0.62766%0.656SS**BIsolated β-bridgetrans-91.699.7174.3-73.3-72000109.9Y141Y141-Y149 HydrophobicContact CD1-CD1 4.38Å; Y141-Y149 HydrophobicContact CD1-CG 4.42Å; Y141-Y149 HydrophobicContact CG-CD1 4.41Å
150T48.6Very low48.5Very low92 Ų92112.9 Ų112.956%0.56464%0.641SS**  trans-107.9141.5176.149.70000111.4
151A46.7Very low49Very low77 Ų77114.4 Ų114.464%0.63663%0.634SS**PPolyproline II helixtrans-61138.5171.800000110.5
152P47.7Very low49.2Very low94 Ų94111 Ų11161%0.6163%0.628SS**PPolyproline II helixtrans-63.3145.8177.925-31.6000110.5V154P152-V154 PolarHBondContact O-N 2.87Å
153P45.4Very low49.2Very low106 Ų106111.8 Ų111.869%0.68864%0.642SS**PPolyproline II helixtrans-61.5132.2175.825.4-31.9000109.6H155P153-H155 PolarHBondContact O-N 2.94Å; P153-H155 VanDerWaalsContact O-N 3.09Å
154V48.3Very low50Low144 Ų144112.3 Ų112.387%0.87364%0.638SS**  trans-64111.1177.9-152.80000107.6P152P152-V154 PolarHBondContact O-N 2.87Å
155H49Very low50.2Low158 Ų158113.6 Ų113.673%0.73165%0.652SS**PPolyproline II helixtrans-63.1136.1175.9-63.3-56.4000109.6P153 T157P153-H155 PolarHBondContact O-N 2.94Å; P153-H155 VanDerWaalsContact O-N 3.09Å; H155-T157 PolarHBondContact O-N 3.22Å
156P44.5Very low50Low118 Ų118113.2 Ų113.277%0.76664%0.638SS**PPolyproline II helixtrans-65.3125.8178.725.5-31.7000109.8Q158P156-Q158 PolarHBondContact O-N 3.5Å
157T50.4Low50Low97 Ų97105.7 Ų105.760%0.59562%0.618SS**PPolyproline II helixtrans-59.9121.4168.311.10000109.1H155 I159H155-T157 PolarHBondContact O-N 3.22Å; T157-I159 PolarHBondContact O-N 3.45Å
158Q48.3Very low50Low150 Ų150107.6 Ų107.670%0.70161%0.607SS**EExtended strand (participates in β ladder)trans-75.7126.4173-68.6-174.20.700109.4P156 V170P156-Q158 PolarHBondContact O-N 3.5Å; Q158-V170 PolarHBondContact O-N 3.32Å
159I52.7Low50.1Low105 Ų105104.8 Ų104.854%0.53860%0.602SS.*EExtended strand (participates in β ladder)trans-94.3120.4177.4-56.2174000107.5T157 Y161 P167T157-I159 PolarHBondContact O-N 3.45Å; I159-Y161 HydrophobicContact CG2-CE2 4.42Å; I159-P167 HydrophobicContact CG2-CB 3.62Å
160M53.7Low50.5Low84 Ų8499.1 Ų99.141%0.41458%0.584SS.*EExtended strand (participates in β ladder)trans-105.5144.8174.7-153.2-175.4-64.900109.2Y168 V170M160-Y168 HydrophobicContact CB-CE1 4.18Å; M160-Y168 HydrophobicContact CB-CE2 4.12Å; M160-Y168 PolarHBondContact N-O 3.28Å; M160-Y168 VanDerWaalsContact O-CD1 3.27Å; M160-Y168 WeakPolarHBondContact O-CD1 3.45Å; M160-Y168 PolarHBondContact O-N 3.36Å; M160-Y168 PolarHBondContact SD-OH 3.13Å; M160-V170 HydrophobicContact CB-CG2 4.26Å; M160-V170 HydrophobicContact CE-CG2 4.16Å
161Y56.4Low50.3Low155 Ų15598.8 Ų98.861%0.60859%0.591SS**EExtended strand (participates in β ladder)trans-104.4128.7178-65.4-91.1000109.4I159 P167I159-Y161 HydrophobicContact CG2-CE2 4.42Å; Y161-P167 HydrophobicContact CD1-CB 4.01Å; Y161-P167 HydrophobicContact CE1-CB 3.73Å; Y161-P167 HydrophobicContact CE1-CG 4.38Å
162S54.8Low50.2Low48 Ų48103.5 Ų103.534%0.33659%0.593SS.*  trans-73.9165.7172.6-89.30000110.7D164 G165 Q166 Y168S162-D164 WeakPolarHBondContact CB-OD1 3.48Å; S162-D164 PolarHBondContact O-N 3.35Å; S162-G165 WeakPolarHBondContact O-CA 3.27Å; S162-G165 PolarHBondContact O-N 2.78Å; S162-Q166 PolarHBondContact N-O 2.93Å; S162-Y168 WeakPolarHBondContact OG-CE1 3.03Å
163G48.7Very low50Low78 Ų78104.4 Ų104.480%0.80460%0.599SS**THydrogen-bonded Turntrans-63.7-7.5-178.300000115.4
164D59.9Low49.5Very low117 Ų117109.3 Ų109.363%0.62661%0.605SS**THydrogen-bonded Turntrans-97.54.2171.258.5-16.1000113.1S162 Q166S162-D164 WeakPolarHBondContact CB-OD1 3.48Å; S162-D164 PolarHBondContact O-N 3.35Å; D164-Q166 VanDerWaalsContact C-N 3.32Å; D164-Q166 PolarHBondContact O-N 3.07Å
165G54Low49.1Very low47 Ų47111.8 Ų111.849%0.48561%0.607SS.*SBendtrans805.6176.800000114.9S162S162-G165 WeakPolarHBondContact O-CA 3.27Å; S162-G165 PolarHBondContact O-N 2.78Å
166Q47.9Very low48.1Very low127 Ų127114.7 Ų114.759%0.59361%0.614SS**  trans-80.4128.1178.3-69.9-63.9-53.900111.1S162 D164S162-Q166 PolarHBondContact N-O 2.93Å; D164-Q166 VanDerWaalsContact C-N 3.32Å; D164-Q166 PolarHBondContact O-N 3.07Å
167P49.5Very low47.9Very low74 Ų74118.6 Ų118.648%0.48162%0.621SS.*EExtended strand (participates in β ladder)trans-75.4132.9175.428.8-31.2000110.9I159 Y161I159-P167 HydrophobicContact CG2-CB 3.62Å; Y161-P167 HydrophobicContact CD1-CB 4.01Å; Y161-P167 HydrophobicContact CE1-CB 3.73Å; Y161-P167 HydrophobicContact CE1-CG 4.38Å
168Y52.3Low46.9Very low99 Ų99116.9 Ų116.939%0.38862%0.623SS.*EExtended strand (participates in β ladder)trans-133.1138.7168.964.2-81.5000110.7M160 S162 V170M160-Y168 HydrophobicContact CB-CE1 4.18Å; M160-Y168 HydrophobicContact CB-CE2 4.12Å; M160-Y168 PolarHBondContact N-O 3.28Å; M160-Y168 VanDerWaalsContact O-CD1 3.27Å; M160-Y168 WeakPolarHBondContact O-CD1 3.45Å; M160-Y168 PolarHBondContact O-N 3.36Å; M160-Y168 PolarHBondContact SD-OH 3.13Å; S162-Y168 WeakPolarHBondContact OG-CE1 3.03Å; Y168-V170 HydrophobicContact CD2-CG2 3.68Å; Y168-V170 HydrophobicContact CE2-CG2 3.47Å; Y168-V170 VanDerWaalsContact CE2-CG2 3.47Å
169A51.6Low46.3Very low70 Ų70113.1 Ų113.158%0.57962%0.624SS**EExtended strand (participates in β ladder)trans-85.4127.4179.800000109.8
170V49.9Very low45.2Very low41 Ų41119 Ų11925%0.24864%0.641CS.*EExtended strand (participates in β ladder)trans-105.6114.8176.5-178.10000108.8Q158 M160 Y168 Y172Q158-V170 PolarHBondContact O-N 3.32Å; M160-V170 HydrophobicContact CB-CG2 4.26Å; M160-V170 HydrophobicContact CE-CG2 4.16Å; Y168-V170 HydrophobicContact CD2-CG2 3.68Å; Y168-V170 HydrophobicContact CE2-CG2 3.47Å; Y168-V170 VanDerWaalsContact CE2-CG2 3.47Å; V170-Y172 HydrophobicContact CG1-CD2 4.15Å; V170-Y172 HydrophobicContact CG1-CE2 3.97Å
171A45.7Very low44.4Very low85 Ų85122.2 Ų122.270%0.70267%0.666SS**  trans-96.3109.1168.900000108.5P173A171-P173 WeakPolarHBondContact O-CD 2.85Å
172Y43.2Very low43.3Very low177 Ų177119 Ų11969%0.69467%0.671SS**  trans-76126.4171.8-80.2-81.9000110V170V170-Y172 HydrophobicContact CG1-CD2 4.15Å; V170-Y172 HydrophobicContact CG1-CE2 3.97Å
173P43.5Very low42.5Very low112 Ų112122 Ų12273%0.72769%0.69SS**SBendtrans-93.7112.416432.2-20.8000107.5A171A171-P173 WeakPolarHBondContact O-CD 2.85Å
174Y35.8Very low42.1Very low209 Ų209128 Ų12882%0.8270%0.696SS**  trans103.594-178.9-76.3-95.4000115.6
175Q38.6Very low41Very low196 Ų196126.9 Ų126.992%0.91669%0.694SS**  trans-99.7111.4153.6-148.3168.5-26.100107.5Q177Q175-Q177 PolarHBondContact O-N 3.5Å
176Y29Very low40.3Very low220 Ų220132.2 Ų132.286%0.86371%0.711SS**  trans-66.4124175.7-144-98000108.6G178Y176-G178 VanDerWaalsContact C-N 3.33Å; Y176-G178 PolarHBondContact O-N 3.21Å
177Q39.8Very low39.8Very low199 Ų199133.5 Ų133.593%0.9372%0.717SS**  trans-72.584-178.8-170.7165.9-24.700110Q175Q175-Q177 PolarHBondContact O-N 3.5Å
178G30.2Very low39.5Very low61 Ų61135.9 Ų135.963%0.62973%0.73SS**  trans-110.5110.517100000110Y176 Y180Y176-G178 VanDerWaalsContact C-N 3.33Å; Y176-G178 PolarHBondContact O-N 3.21Å; G178-Y180 PolarHBondContact O-N 2.88Å
179G35.7Very low39.2Very low71 Ų71138.4 Ų138.473%0.73275%0.748SS**  trans-71.896.6-175.900000113.2
180Y29.7Very low38.9Very low228 Ų228141.6 Ų141.689%0.89475%0.754SS**  trans-147.5119.8147.7-75.5-76.5000108.2G178 A182G178-Y180 PolarHBondContact O-N 2.88Å; Y180-A182 PolarHBondContact O-N 2.82Å
181V36.3Very low38.3Very low153 Ų153148.4 Ų148.493%0.92778%0.783SS**  trans-72.9110.1173.6-177.90000107.4
182A34.5Very low37.9Very low86 Ų86152.5 Ų152.571%0.71179%0.788SS**  trans-102.8134.5166.700000108.7Y180Y180-A182 PolarHBondContact O-N 2.82Å
183P36.8Very low37.7Very low113 Ų113154.2 Ų154.273%0.73479%0.793SS**  trans-71.5154.4-175.113.9-3.9000111.4V185P183-V185 WeakPolarHBondContact O-CG2 3.5Å; P183-V185 PolarHBondContact O-N 3.01Å
184E40.1Very low37.6Very low202 Ų202154.8 Ų154.894%0.94480%0.797SS**  trans-40.8114.6-179.9-68.1-178.9143.800113.2
185V37.2Very low37.6Very low94 Ų94156.9 Ų156.957%0.5780%0.804SS**  trans-129.9120.1162.5-160.40000107.8P183 H187P183-V185 WeakPolarHBondContact O-CG2 3.5Å; P183-V185 PolarHBondContact O-N 3.01Å; V185-H187 PolarHBondContact O-CD2 2.74Å; V185-H187 PolarHBondContact O-N 2.72Å; V185-H187 PolarHBondContact O-NE2 2.83Å
186N39.3Very low37.5Very low160 Ų160150.8 Ų150.886%0.85679%0.793SS**  trans-66.1100.2167.4-80.8-49.8000108.1V188N186-V188 PolarHBondContact O-N 3.02Å
187H37.5Very low37.9Very low154 Ų154149.8 Ų149.871%0.71380%0.797SS**  trans-81.798.2177.1-49.8-73.6000109.3V185 I189V185-H187 PolarHBondContact O-CD2 2.74Å; V185-H187 PolarHBondContact O-N 2.72Å; V185-H187 PolarHBondContact O-NE2 2.83Å; H187-I189 PolarHBondContact O-N 3.03Å
188V43.1Very low37.7Very low124 Ų124145.3 Ų145.375%0.75279%0.793SS**  trans-83.3106.8166.1-177.50000107.5N186 I190N186-V188 PolarHBondContact O-N 3.02Å; V188-I190 HydrophobicContact CG1-CG1 4.01Å
189I46Very low38.1Very low151 Ų151145.9 Ų145.977%0.77480%0.799SS**  trans-95.5106.4172.3-57.1175.5000107.5H187 Q191H187-I189 PolarHBondContact O-N 3.03Å; I189-Q191 PolarHBondContact O-N 2.92Å
190I45.2Very low38.2Very low138 Ų138150 Ų15071%0.70881%0.805SS**  trans-86.1108.6172.4-56.3174.1000107.2V188 E192V188-I190 HydrophobicContact CG1-CG1 4.01Å; I190-E192 PolarHBondContact O-N 2.86Å
191Q38.2Very low39Very low183 Ų183144.9 Ų144.986%0.85580%0.797SS**  trans-81.295.9173.1-167.5176.49.800109I189 R193I189-Q191 PolarHBondContact O-N 2.92Å; Q191-R193 PolarHBondContact O-N 2.98Å
192E36.8Very low39.5Very low172 Ų172142.1 Ų142.180%0.80479%0.79SS**PPolyproline II helixtrans-68121.7168.2-73.1-166.7162.400109.5I190I190-E192 PolarHBondContact O-N 2.86Å
193R39.2Very low40.2Very low212 Ų212146.8 Ų146.880%0.880%0.802SS**PPolyproline II helixtrans-69.9139.2175.6-78.8-178.5174.9173.7-1.4110.5Q191 R195Q191-R193 PolarHBondContact O-N 2.98Å; R193-R195 PolarHBondContact O-N 2.7Å
194P40.7Very low40.4Very low125 Ų125144.8 Ų144.881%0.81280%0.802SS**PPolyproline II helixtrans-68123.5163.7-2.217.8000108.8G196P194-G196 PolarHBondContact O-N 3.47Å; P194-G196 VanDerWaalsContact O-N 3.16Å
195R36.2Very low40.6Very low253 Ų253144.1 Ų144.196%0.95580%0.801SS**  trans-65.5109.2166.7-101.7179.7169.4149.3-3108.5R193R193-R195 PolarHBondContact O-N 2.7Å
196G35.8Very low40.8Very low68 Ų68147.7 Ų147.770%0.70182%0.816SS**  trans-77155.116400000112P194P194-G196 PolarHBondContact O-N 3.47Å; P194-G196 VanDerWaalsContact O-N 3.16Å
197E37.1Very low41.1Very low199 Ų199144.4 Ų144.493%0.9381%0.811SS**  trans80.199.8165.9-69.3-163.6139.200119.3
198A36.9Very low41.1Very low104 Ų104140.9 Ų140.986%0.8682%0.816SS**  -179.4134.7100.800000109.9
199G37Very low41Very low73 Ų73139.8 Ų139.875%0.75382%0.82SS**  trans9883.1158.900000116.1
200D39.6Very low40.9Very low158 Ų158137.2 Ų137.285%0.84582%0.821SS**  55.4144.2116.3-123.3-7.7000121.6
201V44.7Very low40.7Very low120 Ų120137.4 Ų137.473%0.72783%0.829SS**  trans77.194.7159.3-127.60000119.9
202A47.4Very low40.5Very low96 Ų96132 Ų13279%0.79382%0.823SS**  trans30.3101.8132.100000118.4
203L48.3Very low40.7Very low184 Ų184131.6 Ų131.696%0.96383%0.826SS**  trans-139.396.1157.9-159.479.5000110
204G42Very low40.9Very low70 Ų70126.3 Ų126.372%0.72283%0.827SS**  trans161.685.9170.100000113.3
205M43.2Very low41Very low188 Ų188127.3 Ų127.393%0.92682%0.824SS**  trans141.5105.1143.4-77.2-178.1-17600111
206L42.2Very low40.9Very low170 Ų170120.8 Ų120.889%0.8982%0.817SS**  trans-174.398144.2-98.8164.2000105.4
207A45.5Very low41.2Very low90 Ų90122 Ų12274%0.74482%0.815SS**  67107.493.800000111.9
208G38Very low41.5Very low80 Ų80120.9 Ų120.983%0.82582%0.815SS**  trans-69.8143.4165.900000111.2
209A41.4Very low41.7Very low101 Ų101125.5 Ų125.584%0.83582%0.815SS**  trans167.5115.6143.900000107.9
210A43.8Very low41.5Very low97 Ų97127.3 Ų127.380%0.80282%0.817SS**  165.1113.6125.800000110.8
211T40.4Very low41.3Very low142 Ų142125 Ų12587%0.87181%0.808SS**  trans-33.8147.1155.641.40000117.9
212G33.9Very low41Very low71 Ų71132.5 Ų132.573%0.73283%0.832SS**  trans87.8137.8151.600000114.1
213L41.6Very low40.6Very low163 Ų163134.4 Ų134.485%0.85383%0.833SS**  cis-154.5126.915.7-77.2161.7000106.5
214A43.6Very low40.2Very low100 Ų100131.7 Ų131.783%0.82683%0.827SS**  trans-103.9102.4159.200000106.9
215I42.2Very low40.1Very low147 Ų147135.2 Ų135.275%0.75483%0.832SS**  trans-158.3117.7157.623.5174.2000110.6
216S34.7Very low39.9Very low115 Ų115132.1 Ų132.180%0.80483%0.827SS**  trans93.8123.9134.4-150.10000120.4
217S42.4Very low39.8Very low95 Ų95129.7 Ų129.766%0.66482%0.823SS**  trans85.398.7131.1-173.20000119.1
218L42.5Very low39.4Very low175 Ų175132.3 Ų132.392%0.91683%0.828SS**  trans-128.289.6143.6-89.6163.7000109.2
219F41.3Very low39.5Very low200 Ų200136.1 Ų136.188%0.87783%0.829SS**  trans-135.3130.3149.8-88.2-74000109.3
220S33.5Very low39.4Very low112 Ų112138.8 Ų138.878%0.78383%0.828SS**  trans97.8117.3152.3-115.50000121.9
221V34.5Very low39Very low110 Ų110142.3 Ų142.367%0.66783%0.83SS**  trans70.9111137.7-179.60000118.6
222F37.7Very low38.9Very low277 Ų277142.3 Ų142.3100%1.21583%0.827SS**  -151.30102.7-91.4-74.7000110

Retrieved 222 of 222 residues in 58.2 ms (Link to these results)