A0A087XI93_POEFO Loading...

Isoamyl acetate-hydrolyzing esterase 1 homolog

Probable lipase.

AlphaFold DB , UniProt , Accession A0A087XI93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 224 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
1M54Low83.7Confident33 Ų3360 Ų6016%0.16330%0.3CS..  0108.30-65.9-150.5-66.100108.4R28 L45 F62 F63M1-R28 VanDerWaalsContact SD-C 3.54Å; M1-R28 HydrophobicContact SD-CB 3.4Å; M1-R28 WeakPolarHBondContact SD-CB 3.35Å; M1-L45 HydrophobicContact CE-CD1 4.16Å; M1-F62 PolarHBondContact N-O 3.09Å; M1-F63 HydrophobicContact CB-CE2 4.3Å; M1-F63 HydrophobicContact CB-CZ 3.92Å; M1-F63 HydrophobicContact CE-CE2 4.05Å; M1-F63 HydrophobicContact CE-CZ 3.63Å; M1-F63 HydrophobicContact CG-CE2 4.25Å; M1-F63 HydrophobicContact CG-CZ 4.24Å
2K66.5Low84.8Confident45 Ų4555.1 Ų55.120%0.19628%0.275CS..  trans-126.8113.6178.2-73.4-78.9-169.9171.80108.1F4 S5 F62K2-F4 PolarHBondContact O-N 2.82Å; K2-F4 VanDerWaalsContact O-N 3.13Å; K2-S5 WeakPolarHBondContact O-CB 3.36Å; K2-S5 PolarHBondContact O-N 2.68Å; K2-S5 PolarHBondContact O-OG 3.46Å; K2-S5 VanDerWaalsContact O-OG 3.12Å; K2-F62 HydrophobicContact CG-CD1 3.76Å; K2-F62 HydrophobicContact CG-CE1 3.92Å; K2-F62 HydrophobicContact CG-CG 4.32Å
3Q74.1Confident85.6Confident95 Ų9553.4 Ų53.444%0.44428%0.275SS..G310 helixtrans-51.6-40.2-174.4-179176.2-21.500112.8S5 N27 G29Q3-S5 VanDerWaalsContact C-N 3.27Å; Q3-S5 PolarHBondContact O-N 3.21Å; Q3-N27 PolarHBondContact O-ND2 3.09Å; Q3-G29 WeakPolarHBondContact CA-O 3.47Å; Q3-G29 WeakPolarHBondContact CB-O 3.39Å
4F83.7Confident86.3Confident102 Ų10255.4 Ų55.445%0.44728%0.283SS..G310 helixtrans-818.5-176.7-56.6-69.9000114.9K2 F6 Q7K2-F4 PolarHBondContact O-N 2.82Å; K2-F4 VanDerWaalsContact O-N 3.13Å; F4-F6 PolarHBondContact O-N 3.17Å; F4-F6 VanDerWaalsContact O-N 3.15Å; F4-Q7 WeakPolarHBondContact O-CB 3.41Å; F4-Q7 WeakPolarHBondContact O-CG 3.27Å; F4-Q7 PolarHBondContact O-N 3.21Å; F4-Q7 VanDerWaalsContact O-N 3.16Å
5S89.4Confident87Confident4 Ų452.1 Ų52.13%0.02827%0.267CS..G310 helixtrans-63.5-19.6177.861.90000113.8K2 Q3 G10 W11 G12 A13 N27K2-S5 WeakPolarHBondContact O-CB 3.36Å; K2-S5 PolarHBondContact O-N 2.68Å; K2-S5 PolarHBondContact O-OG 3.46Å; K2-S5 VanDerWaalsContact O-OG 3.12Å; Q3-S5 VanDerWaalsContact C-N 3.27Å; Q3-S5 PolarHBondContact O-N 3.21Å; S5-G10 CarbonylContact O-C 3.48Å; S5-G10 VanDerWaalsContact O-CA 3.31Å; S5-G10 WeakPolarHBondContact O-CA 3.35Å; S5-W11 VanDerWaalsContact CB-NE1 3.32Å; S5-W11 PolarHBondContact O-N 2.7Å; S5-G12 VanDerWaalsContact O-CA 3.25Å; S5-G12 WeakPolarHBondContact O-CA 3.47Å; S5-G12 PolarHBondContact O-N 3.09Å; S5-A13 PolarHBondContact O-N 3.08Å; S5-N27 PolarHBondContact OG-ND2 3.38Å
6F91.4Very high87.5Confident82 Ų8250.8 Ų50.836%0.3627%0.265SS..G310 helixtrans-100.87.8178.6-86.3-113.2000113.8F4 A16 V25 N27F4-F6 PolarHBondContact O-N 3.17Å; F4-F6 VanDerWaalsContact O-N 3.15Å; F6-A16 HydrophobicContact CE1-CB 4.28Å; F6-A16 HydrophobicContact CZ-CB 4.39Å; F6-V25 HydrophobicContact CE2-CG1 4.03Å; F6-V25 HydrophobicContact CZ-CB 4.03Å; F6-V25 HydrophobicContact CZ-CG1 3.67Å; F6-V25 WeakPolarHBondContact CZ-O 3.31Å; F6-N27 HydrophobicContact CD2-CB 3.75Å; F6-N27 HydrophobicContact CE2-CB 3.75Å; F6-N27 HydrophobicContact CG-CB 4.47Å; F6-N27 HydrophobicContact CZ-CB 4.46Å
7Q90.4Very high88Confident72 Ų7254.5 Ų54.534%0.33629%0.286SS..SBendtrans-62.1163.8170.576.7-170.8-100110.6F4 N9 G10 N183F4-Q7 WeakPolarHBondContact O-CB 3.41Å; F4-Q7 WeakPolarHBondContact O-CG 3.27Å; F4-Q7 PolarHBondContact O-N 3.21Å; F4-Q7 VanDerWaalsContact O-N 3.16Å; Q7-N9 PolarHBondContact O-N 2.91Å; Q7-G10 WeakPolarHBondContact O-CA 3.48Å; Q7-G10 PolarHBondContact O-N 3.19Å; Q7-N183 PolarHBondContact NE2-ND2 2.95Å
8P90.3Very high88.4Confident118 Ų11856.3 Ų56.377%0.76629%0.291SS*.THydrogen-bonded Turntrans-49.6130.7171.4-27.135.8000111.2G10P8-G10 PolarHBondContact O-N 3.34Å
9N89.6Confident88.8Confident91 Ų9153.9 Ų53.949%0.48728%0.279SS..THydrogen-bonded Turntrans60.120.1-175-50.6-27.9000114.6Q7 E180 N183Q7-N9 PolarHBondContact O-N 2.91Å; N9-E180 HydrophobicContact CB-CG 3.86Å; N9-E180 PolarHBondContact ND2-OE1 3.4Å; N9-N183 WeakPolarHBondContact O-CB 3.39Å
10G94.9Very high89.1Confident0 Ų054 Ų540%029%0.288CS..  trans-77.3148173.500000112.6S5 Q7 P8 G12 A13 E14S5-G10 CarbonylContact O-C 3.48Å; S5-G10 VanDerWaalsContact O-CA 3.31Å; S5-G10 WeakPolarHBondContact O-CA 3.35Å; Q7-G10 WeakPolarHBondContact O-CA 3.48Å; Q7-G10 PolarHBondContact O-N 3.19Å; P8-G10 PolarHBondContact O-N 3.34Å; G10-G12 VanDerWaalsContact C-N 3.26Å; G10-G12 PolarHBondContact O-N 3.43Å; G10-A13 PolarHBondContact O-N 2.93Å; G10-A13 VanDerWaalsContact O-N 3.13Å; G10-E14 PolarHBondContact O-N 3.06Å
11W96.8Very high89.1Confident18 Ų1856.4 Ų56.47%0.06829%0.293CS..Hα-helixtrans-63.1-29.4-175.766.1-93.1000114.2S5 T15 F62 N183 V186 A187 L190S5-W11 VanDerWaalsContact CB-NE1 3.32Å; S5-W11 PolarHBondContact O-N 2.7Å; W11-T15 WeakPolarHBondContact O-CB 3.25Å; W11-T15 PolarHBondContact O-N 2.88Å; W11-T15 PolarHBondContact O-OG1 2.69Å; W11-F62 HydrophobicContact CZ2-CD1 4.33Å; W11-N183 WeakPolarHBondContact CB-O 3.31Å; W11-N183 VanDerWaalsContact CD1-OD1 3.3Å; W11-N183 PolarHBondContact N-OD1 3.44Å; W11-V186 HydrophobicContact CB-CB 4.07Å; W11-V186 HydrophobicContact CB-CG1 3.91Å; W11-V186 HydrophobicContact CD2-CG1 3.9Å; W11-V186 HydrophobicContact CE3-CG1 4.36Å; W11-V186 HydrophobicContact CG-CB 4.2Å; W11-V186 HydrophobicContact CG-CG1 3.69Å; W11-A187 HydrophobicContact CB-CB 3.96Å; W11-L190 HydrophobicContact CE3-CD2 3.58Å; W11-L190 HydrophobicContact CZ3-CD2 3.5Å; W11-L190 VanDerWaalsContact CZ3-CD2 3.5Å
12G96.2Very high90.9Very high1 Ų158 Ų581%0.0130%0.299CS..Hα-helixtrans-71.6-40.4175.300000112.2S5 G10 T15 A16S5-G12 VanDerWaalsContact O-CA 3.25Å; S5-G12 WeakPolarHBondContact O-CA 3.47Å; S5-G12 PolarHBondContact O-N 3.09Å; G10-G12 VanDerWaalsContact C-N 3.26Å; G10-G12 PolarHBondContact O-N 3.43Å; G12-T15 PolarHBondContact O-N 3.1Å; G12-A16 WeakPolarHBondContact O-CB 3.24Å; G12-A16 PolarHBondContact O-N 3.08Å
13A95.3Very high92.1Very high33 Ų3357.6 Ų57.627%0.27330%0.301SS..Hα-helixtrans-64.6-43.7174.100000111.6S5 G10 T15 A16 N17S5-A13 PolarHBondContact O-N 3.08Å; G10-A13 PolarHBondContact O-N 2.93Å; G10-A13 VanDerWaalsContact O-N 3.13Å; A13-T15 PolarHBondContact O-N 3.45Å; A13-A16 PolarHBondContact O-N 3.46Å; A13-N17 WeakPolarHBondContact O-CB 3.29Å; A13-N17 PolarHBondContact O-N 2.91Å
14E95.9Very high92.9Very high81 Ų8159.4 Ų59.438%0.37931%0.314SS..Hα-helixtrans-61.9-43175.3-177.660.8-158.100111.9G10 A16 N17 K18 A187G10-E14 PolarHBondContact O-N 3.06Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 2.9Å; E14-N17 PolarHBondContact O-N 3.37Å; E14-K18 WeakPolarHBondContact O-CG 3.28Å; E14-K18 PolarHBondContact O-N 3.16Å; E14-K18 WeakPolarHBondContact OE1-CE 3.48Å; E14-A187 HydrophobicContact CB-CB 4Å; E14-A187 HydrophobicContact CG-CB 3.78Å
15T96.4Very high93.4Very high7 Ų756.7 Ų56.74%0.04331%0.306CS..Hα-helixtrans-62.7-42.1175.7-55.10000111.2W11 G12 A13 K18 L19 V25 L194W11-T15 WeakPolarHBondContact O-CB 3.25Å; W11-T15 PolarHBondContact O-N 2.88Å; W11-T15 PolarHBondContact O-OG1 2.69Å; G12-T15 PolarHBondContact O-N 3.1Å; A13-T15 PolarHBondContact O-N 3.45Å; T15-K18 PolarHBondContact O-N 2.89Å; T15-L19 HydrophobicContact CG2-CD1 3.99Å; T15-L19 PolarHBondContact O-N 3.13Å; T15-L19 VanDerWaalsContact O-N 3.09Å; T15-V25 HydrophobicContact CG2-CG2 4.25Å; T15-L194 HydrophobicContact CG2-CD1 3.89Å
16A95.8Very high93.5Very high30 Ų3060.7 Ų60.725%0.24833%0.33CS..Hα-helixtrans-63-41.4176.500000112.1F6 G12 A13 E14 K18 L19 A20 V25F6-A16 HydrophobicContact CE1-CB 4.28Å; F6-A16 HydrophobicContact CZ-CB 4.39Å; G12-A16 WeakPolarHBondContact O-CB 3.24Å; G12-A16 PolarHBondContact O-N 3.08Å; A13-A16 PolarHBondContact O-N 3.46Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 2.9Å; A16-K18 PolarHBondContact O-N 3.14Å; A16-L19 CarbonylContact O-C 3.41Å; A16-L19 PolarHBondContact O-N 2.99Å; A16-A20 PolarHBondContact O-N 3.4Å; A16-V25 HydrophobicContact CB-CB 3.89Å; A16-V25 HydrophobicContact CB-CG2 3.97Å
17N95.7Very high93.5Very high114 Ų11459.1 Ų59.161%0.6133%0.325SS*.Hα-helixtrans-61-44176.2-175.350.5000111.8A13 E14 L19 A20A13-N17 WeakPolarHBondContact O-CB 3.29Å; A13-N17 PolarHBondContact O-N 2.91Å; E14-N17 PolarHBondContact O-N 3.37Å; N17-L19 VanDerWaalsContact C-N 3.28Å; N17-L19 PolarHBondContact O-N 2.96Å; N17-A20 VanDerWaalsContact O-CB 3.27Å; N17-A20 WeakPolarHBondContact O-CB 3.11Å; N17-A20 PolarHBondContact O-N 3.37Å
18K95.3Very high93.6Very high88 Ų8861.4 Ų61.438%0.38333%0.331SS..Hα-helixtrans-66.3-28.2176.7-72.1171.7172-89.70113.7E14 T15 A16 W191E14-K18 WeakPolarHBondContact O-CG 3.28Å; E14-K18 PolarHBondContact O-N 3.16Å; E14-K18 WeakPolarHBondContact OE1-CE 3.48Å; T15-K18 PolarHBondContact O-N 2.89Å; A16-K18 PolarHBondContact O-N 3.14Å; K18-W191 HydrophobicContact CB-CE3 4.11Å; K18-W191 HydrophobicContact CB-CH2 3.66Å; K18-W191 HydrophobicContact CB-CZ2 4.27Å; K18-W191 HydrophobicContact CB-CZ3 3.57Å; K18-W191 HydrophobicContact CD-CD2 3.65Å; K18-W191 HydrophobicContact CD-CE3 3.58Å; K18-W191 HydrophobicContact CD-CG 4.15Å; K18-W191 HydrophobicContact CD-CH2 4.35Å; K18-W191 HydrophobicContact CD-CZ2 4.42Å; K18-W191 HydrophobicContact CD-CZ3 3.95Å; K18-W191 HydrophobicContact CG-CE3 4.5Å; K18-W191 HydrophobicContact CG-CZ3 4.4Å
19L94.9Very high93.4Very high10 Ų1056.2 Ų56.25%0.05230%0.299CS..THydrogen-bonded Turntrans-9711.2178.7-68172.7000113.2T15 A16 N17 R21 K22 C23 V25 W191 V198T15-L19 HydrophobicContact CG2-CD1 3.99Å; T15-L19 PolarHBondContact O-N 3.13Å; T15-L19 VanDerWaalsContact O-N 3.09Å; A16-L19 CarbonylContact O-C 3.41Å; A16-L19 PolarHBondContact O-N 2.99Å; N17-L19 VanDerWaalsContact C-N 3.28Å; N17-L19 PolarHBondContact O-N 2.96Å; L19-R21 PolarHBondContact O-N 3.08Å; L19-K22 PolarHBondContact O-N 3.14Å; L19-C23 HydrophobicContact CB-CB 4.34Å; L19-C23 HydrophobicContact CD1-CB 4.32Å; L19-C23 HydrophobicContact CD2-CB 4.39Å; L19-C23 PolarHBondContact O-N 2.97Å; L19-C23 VanDerWaalsContact O-N 3.12Å; L19-V25 HydrophobicContact CB-CG2 4.35Å; L19-V25 HydrophobicContact CD1-CG2 3.74Å; L19-W191 HydrophobicContact CD2-CH2 4.09Å; L19-W191 HydrophobicContact CD2-CZ3 4.15Å; L19-W191 HydrophobicContact CG-CH2 4.43Å; L19-W191 HydrophobicContact CG-CZ3 4.11Å; L19-V198 HydrophobicContact CD2-CB 3.82Å; L19-V198 HydrophobicContact CD2-CG1 4.1Å; L19-V198 HydrophobicContact CD2-CG2 3.66Å
20A94.6Very high93.2Very high56 Ų5654.6 Ų54.646%0.46329%0.29SS..THydrogen-bonded Turntrans-52.6130.117900000110.8A16 N17 K22A16-A20 PolarHBondContact O-N 3.4Å; N17-A20 VanDerWaalsContact O-CB 3.27Å; N17-A20 WeakPolarHBondContact O-CB 3.11Å; N17-A20 PolarHBondContact O-N 3.37Å; A20-K22 PolarHBondContact O-N 3.28Å
21R91Very high92.9Very high105 Ų10557.4 Ų57.440%0.39631%0.309SS..THydrogen-bonded Turntrans60.114.8-173.8-57177.557.3-163.8-3115.1L19 F203 I204 L205 P206L19-R21 PolarHBondContact O-N 3.08Å; R21-F203 HydrophobicContact CB-CD1 3.91Å; R21-F203 CarbonylContact O-C 3.52Å; R21-F203 WeakPolarHBondContact O-CA 3.26Å; R21-I204 PolarHBondContact O-N 3.33Å; R21-L205 PolarHBondContact NH2-O 3.4Å; R21-P206 VanDerWaalsContact NH2-C 3.34Å; R21-P206 PolarHBondContact NH2-O 3.24Å
22K91.6Very high92.7Very high65 Ų6557.6 Ų57.628%0.28332%0.317SS..THydrogen-bonded Turntrans-119.5-44.3176.2-67.9-170.9172.7-165.50113L19 A20 L201 F203L19-K22 PolarHBondContact O-N 3.14Å; A20-K22 PolarHBondContact O-N 3.28Å; K22-L201 HydrophobicContact CB-CB 4.33Å; K22-F203 HydrophobicContact CD-CE1 4.29Å; K22-F203 HydrophobicContact CG-CD1 3.68Å; K22-F203 HydrophobicContact CG-CE1 3.85Å
23C90.6Very high92.7Very high37 Ų3761.4 Ų61.425%0.2533%0.332CS..  trans-154.8136.7-174.8-170.50000109.9L19 L201L19-C23 HydrophobicContact CB-CB 4.34Å; L19-C23 HydrophobicContact CD1-CB 4.32Å; L19-C23 HydrophobicContact CD2-CB 4.39Å; L19-C23 PolarHBondContact O-N 2.97Å; L19-C23 VanDerWaalsContact O-N 3.12Å; C23-L201 HydrophobicContact CB-CD1 3.85Å
24D91.4Very high92.9Very high133 Ų13359.9 Ų59.971%0.71132%0.319SS*.  trans-73.6134173.7-69.5-31.8000110.9V26D24-V26 HydrophobicContact CB-CG2 4.46Å
25V93.3Very high93Very high46 Ų4656 Ų5628%0.27930%0.301SS..  trans-102.6112173.5-1750000108.9F6 T15 A16 L19F6-V25 HydrophobicContact CE2-CG1 4.03Å; F6-V25 HydrophobicContact CZ-CB 4.03Å; F6-V25 HydrophobicContact CZ-CG1 3.67Å; F6-V25 WeakPolarHBondContact CZ-O 3.31Å; T15-V25 HydrophobicContact CG2-CG2 4.25Å; A16-V25 HydrophobicContact CB-CB 3.89Å; A16-V25 HydrophobicContact CB-CG2 3.97Å; L19-V25 HydrophobicContact CB-CG2 4.35Å; L19-V25 HydrophobicContact CD1-CG2 3.74Å
26V92.1Very high93.1Very high87 Ų8759.4 Ų59.453%0.52731%0.313SS..  trans-105117.9-172.9-178.20000110.7D24 R28D24-V26 HydrophobicContact CB-CG2 4.46Å; V26-R28 HydrophobicContact CG1-CG 4.37Å
27N91.4Very high93.2Very high50 Ų5061.5 Ų61.527%0.26731%0.314SS..  trans-82.5125175-165.6-0.8000111.4Q3 S5 F6 G29Q3-N27 PolarHBondContact O-ND2 3.09Å; S5-N27 PolarHBondContact OG-ND2 3.38Å; F6-N27 HydrophobicContact CD2-CB 3.75Å; F6-N27 HydrophobicContact CE2-CB 3.75Å; F6-N27 HydrophobicContact CG-CB 4.47Å; F6-N27 HydrophobicContact CZ-CB 4.46Å; N27-G29 VanDerWaalsContact OD1-CA 3.32Å; N27-G29 WeakPolarHBondContact OD1-CA 3Å; N27-G29 PolarHBondContact OD1-N 3.26Å
28R92.2Very high93.1Very high119 Ų11956.2 Ų56.245%0.44929%0.286SS..  trans-120.619.4170.3-62.6-64.8-176.5-110.82.9112.1M1 V26 L30 L45M1-R28 VanDerWaalsContact SD-C 3.54Å; M1-R28 HydrophobicContact SD-CB 3.4Å; M1-R28 WeakPolarHBondContact SD-CB 3.35Å; V26-R28 HydrophobicContact CG1-CG 4.37Å; R28-L30 PolarHBondContact O-N 3.22Å; R28-L45 HydrophobicContact CB-CD1 4.27Å
29G86Confident93Very high10 Ų1054.3 Ų54.310%0.10328%0.278CS..  trans-59121.1173.300000113.8Q3 N27Q3-G29 WeakPolarHBondContact CA-O 3.47Å; Q3-G29 WeakPolarHBondContact CB-O 3.39Å; N27-G29 VanDerWaalsContact OD1-CA 3.32Å; N27-G29 WeakPolarHBondContact OD1-CA 3Å; N27-G29 PolarHBondContact OD1-N 3.26Å
30L86.8Confident92.9Very high57 Ų5759.6 Ų59.630%0.29831%0.305SS..  trans-118.9112.3175-56.9174.5000108.7R28 Y33 V41R28-L30 PolarHBondContact O-N 3.22Å; L30-Y33 HydrophobicContact CB-CD1 4.08Å; L30-Y33 HydrophobicContact CB-CD2 3.46Å; L30-Y33 VanDerWaalsContact CB-CD2 3.46Å; L30-Y33 HydrophobicContact CB-CE1 4.36Å; L30-Y33 HydrophobicContact CB-CE2 3.77Å; L30-Y33 HydrophobicContact CB-CG 3.63Å; L30-Y33 HydrophobicContact CD1-CD1 3.76Å; L30-Y33 HydrophobicContact CD1-CD2 4.41Å; L30-Y33 HydrophobicContact CD1-CE1 3.51Å; L30-Y33 HydrophobicContact CD1-CE2 4.19Å; L30-Y33 HydrophobicContact CD1-CG 4.21Å; L30-Y33 PolarHBondContact O-N 2.82Å; L30-V41 HydrophobicContact CD1-CG1 4.35Å
31S88.2Confident92.7Very high58 Ų5858.5 Ų58.541%0.40629%0.293SS..THydrogen-bonded Turntrans-61.2139.8-179-1700000111Y33S31-Y33 VanDerWaalsContact C-N 3.27Å; S31-Y33 PolarHBondContact O-N 3.27Å
32G92.5Very high92.6Very high22 Ų2254 Ų5423%0.22728%0.277CS..THydrogen-bonded Turntrans78.8-6.9178.900000116.5N66 Q77G32-N66 WeakPolarHBondContact CA-ND2 3.48Å; G32-N66 PolarHBondContact O-ND2 3.05Å; G32-Q77 PolarHBondContact O-NE2 3.22Å
33Y96.9Very high92.4Very high82 Ų8254 Ų5432%0.32228%0.283SS..  trans-73.5147.9-178.5-83.9-125.9000113.2L30 S31 W37 V41 N66L30-Y33 HydrophobicContact CB-CD1 4.08Å; L30-Y33 HydrophobicContact CB-CD2 3.46Å; L30-Y33 VanDerWaalsContact CB-CD2 3.46Å; L30-Y33 HydrophobicContact CB-CE1 4.36Å; L30-Y33 HydrophobicContact CB-CE2 3.77Å; L30-Y33 HydrophobicContact CB-CG 3.63Å; L30-Y33 HydrophobicContact CD1-CD1 3.76Å; L30-Y33 HydrophobicContact CD1-CD2 4.41Å; L30-Y33 HydrophobicContact CD1-CE1 3.51Å; L30-Y33 HydrophobicContact CD1-CE2 4.19Å; L30-Y33 HydrophobicContact CD1-CG 4.21Å; L30-Y33 PolarHBondContact O-N 2.82Å; S31-Y33 VanDerWaalsContact C-N 3.27Å; S31-Y33 PolarHBondContact O-N 3.27Å; Y33-W37 HydrophobicContact CD1-CB 3.79Å; Y33-W37 HydrophobicContact CD1-CE3 4.09Å; Y33-W37 HydrophobicContact CD2-CE3 4.23Å; Y33-W37 HydrophobicContact CE1-CB 4.15Å; Y33-W37 AromaticContact CG-CE3 3.92Å; Y33-W37 HydrophobicContact CG-CE3 3.92Å; Y33-V41 HydrophobicContact CE1-CG2 4.17Å; Y33-N66 PolarHBondContact O-ND2 3.41Å
34N98.1Very high92.2Very high0 Ų063.1 Ų63.10%031%0.313CS..  trans-107.9173.4170.263.528.2000111.3R36 W37 A38 N66 Q77 V79N34-R36 VanDerWaalsContact C-N 3.29Å; N34-R36 PolarHBondContact O-N 3.12Å; N34-R36 WeakPolarHBondContact OD1-CB 3.28Å; N34-R36 PolarHBondContact OD1-N 2.76Å; N34-W37 PolarHBondContact O-N 2.72Å; N34-W37 VanDerWaalsContact OD1-CG 3.24Å; N34-W37 PolarHBondContact OD1-N 3.45Å; N34-A38 PolarHBondContact O-N 3Å; N34-N66 HydrophobicContact CB-CB 4.44Å; N34-Q77 PolarHBondContact ND2-O 3.27Å; N34-Q77 VanDerWaalsContact ND2-O 3.1Å; N34-V79 HydrophobicContact CB-CG2 3.72Å
35S98.2Very high91.7Very high0 Ų059 Ų590%029%0.29CS..Hα-helixtrans-62.5-34-17964.80000113.2A38 K39 D67 N87S35-A38 WeakPolarHBondContact O-CB 3.27Å; S35-A38 PolarHBondContact O-N 3.11Å; S35-K39 PolarHBondContact O-N 2.97Å; S35-D67 WeakPolarHBondContact CB-OD1 3.39Å; S35-D67 PolarHBondContact N-OD1 3.15Å; S35-D67 PolarHBondContact N-OD2 3.47Å; S35-D67 PolarHBondContact OG-OD1 3.03Å; S35-N87 PolarHBondContact OG-ND2 3.35Å
36R98.2Very high91Very high78 Ų7858.1 Ų58.129%0.29428%0.284SS..Hα-helixtrans-59.7-49.1177.7-175.9-173-64.3132.4-2.7110.9N34 H78 V79 E83 N87N34-R36 VanDerWaalsContact C-N 3.29Å; N34-R36 PolarHBondContact O-N 3.12Å; N34-R36 WeakPolarHBondContact OD1-CB 3.28Å; N34-R36 PolarHBondContact OD1-N 2.76Å; R36-H78 PolarHBondContact NH1-O 3.39Å; R36-V79 HydrophobicContact CB-CG2 4.02Å; R36-E83 WeakPolarHBondContact CG-OE1 3.27Å; R36-E83 IonicContact CZ-OE1 3.36Å; R36-E83 IonicContact CZ-OE2 3.73Å; R36-E83 IonicContact NE-OE1 3.36Å; R36-E83 PolarHBondContact NE-OE1 3.48Å; R36-E83 IonicContact NE-OE2 3.49Å; R36-E83 PolarHBondContact NE-OE2 3.06Å; R36-E83 VanDerWaalsContact NH2-CD 3.33Å; R36-E83 IonicContact NH2-OE1 3.78Å; R36-E83 PolarHBondContact NH2-OE1 2.84Å; R36-E83 IonicContact NH2-OE2 3.82Å; R36-E83 PolarHBondContact NH2-OE2 3.19Å; R36-N87 PolarHBondContact N-ND2 2.99Å
37W97.6Very high89.8Confident74 Ų7455.9 Ų55.928%0.2827%0.272SS..Hα-helixtrans-71.3-34.4178-54.9-20.9000112.3Y33 N34 K39 I40 V41 Q76Y33-W37 HydrophobicContact CD1-CB 3.79Å; Y33-W37 HydrophobicContact CD1-CE3 4.09Å; Y33-W37 HydrophobicContact CD2-CE3 4.23Å; Y33-W37 HydrophobicContact CE1-CB 4.15Å; Y33-W37 AromaticContact CG-CE3 3.92Å; Y33-W37 HydrophobicContact CG-CE3 3.92Å; N34-W37 PolarHBondContact O-N 2.72Å; N34-W37 VanDerWaalsContact OD1-CG 3.24Å; N34-W37 PolarHBondContact OD1-N 3.45Å; W37-K39 VanDerWaalsContact C-N 3.31Å; W37-K39 PolarHBondContact O-N 2.76Å; W37-I40 PolarHBondContact O-N 3.41Å; W37-I40 VanDerWaalsContact O-N 3.14Å; W37-V41 WeakPolarHBondContact O-CG2 3.16Å; W37-V41 PolarHBondContact O-N 3.23Å; W37-V41 VanDerWaalsContact O-N 3.11Å; W37-Q76 HydrophobicContact CH2-CG 4.15Å; W37-Q76 HydrophobicContact CZ2-CG 4.25Å; W37-Q76 WeakPolarHBondContact CZ2-O 3.48Å
38A94.4Very high88.2Confident3 Ų357.4 Ų57.43%0.02529%0.286CS..Hα-helixtrans-56.1-45.8178.400000111.9N34 S35 I40 V41 L42 F63 I91N34-A38 PolarHBondContact O-N 3Å; S35-A38 WeakPolarHBondContact O-CB 3.27Å; S35-A38 PolarHBondContact O-N 3.11Å; A38-I40 VanDerWaalsContact C-N 3.28Å; A38-I40 PolarHBondContact O-N 3.13Å; A38-V41 PolarHBondContact O-N 3Å; A38-L42 VanDerWaalsContact O-CB 3.3Å; A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 PolarHBondContact O-N 3.19Å; A38-F63 HydrophobicContact CB-CD1 4.44Å; A38-F63 HydrophobicContact CB-CD2 4.24Å; A38-F63 HydrophobicContact CB-CE1 3.75Å; A38-F63 HydrophobicContact CB-CE2 3.51Å; A38-F63 HydrophobicContact CB-CZ 3.23Å; A38-I91 HydrophobicContact CB-CD1 4.17Å
39K92.4Very high86.5Confident48 Ų4858.1 Ų58.121%0.20930%0.295CS..Hα-helixtrans-56.6-40.8176.7-70.6165.665.3174.30113.5S35 W37 V41 P43 N87 E90 I91S35-K39 PolarHBondContact O-N 2.97Å; W37-K39 VanDerWaalsContact C-N 3.31Å; W37-K39 PolarHBondContact O-N 2.76Å; K39-V41 VanDerWaalsContact C-N 3.34Å; K39-P43 VanDerWaalsContact O-CD 3.23Å; K39-P43 WeakPolarHBondContact O-CD 3.41Å; K39-N87 HydrophobicContact CD-CB 3.56Å; K39-N87 VanDerWaalsContact CD-CG 3.41Å; K39-N87 WeakPolarHBondContact CD-OD1 3.34Å; K39-N87 WeakPolarHBondContact CE-OD1 3.41Å; K39-N87 HydrophobicContact CG-CB 4.42Å; K39-N87 PolarHBondContact NZ-OD1 2.99Å; K39-E90 HydrophobicContact CD-CB 4.43Å; K39-E90 VanDerWaalsContact CE-CD 3.41Å; K39-E90 WeakPolarHBondContact CE-OE2 3.44Å; K39-E90 IonicContact NZ-OE1 2.95Å; K39-E90 PolarHBondContact NZ-OE1 3.26Å; K39-E90 IonicContact NZ-OE2 3.78Å; K39-E90 PolarHBondContact NZ-OE2 2.89Å; K39-I91 HydrophobicContact CG-CD1 4.17Å; K39-I91 HydrophobicContact CG-CG1 3.75Å
40I93.2Very high85.1Confident121 Ų12161.5 Ų61.562%0.62131%0.31SS*.Hα-helixtrans-69.4-37.9-178-62.8168.7000110.3W37 A38W37-I40 PolarHBondContact O-N 3.41Å; W37-I40 VanDerWaalsContact O-N 3.14Å; A38-I40 VanDerWaalsContact C-N 3.28Å; A38-I40 PolarHBondContact O-N 3.13Å
41V91Very high83.7Confident33 Ų3358.9 Ų58.920%0.230%0.297CS..Hα-helixtrans-86.9-27-175.3-179.80000112.3L30 Y33 W37 A38 K39 P43 R44 L45L30-V41 HydrophobicContact CD1-CG1 4.35Å; Y33-V41 HydrophobicContact CE1-CG2 4.17Å; W37-V41 WeakPolarHBondContact O-CG2 3.16Å; W37-V41 PolarHBondContact O-N 3.23Å; W37-V41 VanDerWaalsContact O-N 3.11Å; A38-V41 PolarHBondContact O-N 3Å; K39-V41 VanDerWaalsContact C-N 3.34Å; V41-P43 VanDerWaalsContact C-CD 3.48Å; V41-R44 WeakPolarHBondContact O-CA 3.32Å; V41-R44 WeakPolarHBondContact O-CB 3.39Å; V41-R44 PolarHBondContact O-N 2.83Å; V41-L45 HydrophobicContact CG1-CD1 3.79Å; V41-L45 HydrophobicContact CG1-CD2 4.19Å; V41-L45 HydrophobicContact CG1-CG 3.87Å; V41-L45 PolarHBondContact O-N 3.49Å
42L88Confident82.1Confident12 Ų1259.8 Ų59.86%0.06331%0.308CS..Hα-helixtrans-53.3-41.9-174.7-166.563.6000114.2A38 R44 L45 I46 I91 F94 L95A38-L42 VanDerWaalsContact O-CB 3.3Å; A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 PolarHBondContact O-N 3.19Å; L42-R44 PolarHBondContact O-N 3.27Å; L42-R44 VanDerWaalsContact O-N 3.16Å; L42-L45 PolarHBondContact O-N 3.26Å; L42-I46 HydrophobicContact CD1-CD1 3.71Å; L42-I46 HydrophobicContact CD1-CG1 4.24Å; L42-I46 HydrophobicContact CG-CD1 4.43Å; L42-I46 PolarHBondContact O-N 2.91Å; L42-I91 HydrophobicContact CD2-CB 4.35Å; L42-I91 HydrophobicContact CD2-CG1 4.27Å; L42-I91 HydrophobicContact CD2-CG2 3.85Å; L42-F94 HydrophobicContact CB-CD1 4.38Å; L42-F94 HydrophobicContact CB-CE1 4.41Å; L42-F94 HydrophobicContact CD2-CB 4.43Å; L42-F94 HydrophobicContact CD2-CD1 3.38Å; L42-F94 HydrophobicContact CD2-CE1 4.03Å; L42-F94 HydrophobicContact CD2-CG 4.17Å; L42-F94 HydrophobicContact CG-CD1 3.61Å; L42-F94 HydrophobicContact CG-CE1 3.7Å; L42-L95 HydrophobicContact CD2-CD2 4.49Å; L42-L95 HydrophobicContact CD2-CG 4.44Å
43P88Confident80.5Confident65 Ų6565.9 Ų65.942%0.42233%0.331SS..Hα-helixtrans-61.9-21.8175.6-23.334.2000114.9K39 V41 F94K39-P43 VanDerWaalsContact O-CD 3.23Å; K39-P43 WeakPolarHBondContact O-CD 3.41Å; V41-P43 VanDerWaalsContact C-CD 3.48Å; P43-F94 HydrophobicContact CB-CE2 3.94Å; P43-F94 HydrophobicContact CB-CZ 4Å; P43-F94 HydrophobicContact CG-CD2 4.27Å; P43-F94 HydrophobicContact CG-CE2 3.75Å; P43-F94 HydrophobicContact CG-CZ 4.08Å
44R85.9Confident78.9Confident228 Ų22867 Ų6786%0.8634%0.343SS*.Hα-helixtrans-83.5-23.1174-61.4-174.3174.9-169.2-1.2112.7V41 L42V41-R44 WeakPolarHBondContact O-CA 3.32Å; V41-R44 WeakPolarHBondContact O-CB 3.39Å; V41-R44 PolarHBondContact O-N 2.83Å; L42-R44 PolarHBondContact O-N 3.27Å; L42-R44 VanDerWaalsContact O-N 3.16Å
45L81.9Confident78.1Confident47 Ų4772.7 Ų72.725%0.24637%0.373CS..Hα-helixtrans-93.1-29.6-176.4-57175000112.2M1 R28 V41 L42M1-L45 HydrophobicContact CE-CD1 4.16Å; R28-L45 HydrophobicContact CB-CD1 4.27Å; V41-L45 HydrophobicContact CG1-CD1 3.79Å; V41-L45 HydrophobicContact CG1-CD2 4.19Å; V41-L45 HydrophobicContact CG1-CG 3.87Å; V41-L45 PolarHBondContact O-N 3.49Å; L42-L45 PolarHBondContact O-N 3.26Å
46I78.2Confident77.7Confident27 Ų2774.6 Ų74.614%0.13838%0.383CS..SBendtrans-130.2103.3-179.2-56.1177.7000106.6L42 A51 F94 L95 A98L42-I46 HydrophobicContact CD1-CD1 3.71Å; L42-I46 HydrophobicContact CD1-CG1 4.24Å; L42-I46 HydrophobicContact CG-CD1 4.43Å; L42-I46 PolarHBondContact O-N 2.91Å; I46-A51 HydrophobicContact CG2-CB 3.89Å; I46-F94 HydrophobicContact CB-CE1 4.18Å; I46-F94 HydrophobicContact CG2-CE1 4.47Å; I46-F94 WeakPolarHBondContact O-CZ 3.41Å; I46-L95 HydrophobicContact CD1-CD2 3.41Å; I46-L95 VanDerWaalsContact CD1-CD2 3.41Å; I46-A98 HydrophobicContact CG2-CB 4.09Å
47S67Low77.4Confident39 Ų3971.6 Ų71.627%0.27337%0.374SS..  trans-87.3151.8168.569.30000109.7Q49 N50 A51S47-Q49 PolarHBondContact O-N 3.06Å; S47-N50 PolarHBondContact O-N 3.34Å; S47-N50 VanDerWaalsContact O-N 3.08Å; S47-N50 VanDerWaalsContact OG-CB 3.28Å; S47-N50 WeakPolarHBondContact OG-CB 3.23Å; S47-N50 PolarHBondContact OG-N 3.48Å; S47-N50 VanDerWaalsContact OG-N 3.14Å; S47-N50 PolarHBondContact OG-ND2 3.16Å; S47-N50 VanDerWaalsContact OG-ND2 3.13Å; S47-N50 PolarHBondContact OG-OD1 3.15Å; S47-A51 PolarHBondContact O-N 3.48Å
48S58.5Low77.2Confident82 Ų8269.6 Ų69.657%0.57337%0.374SS*.Hα-helixtrans-59.5-32.8176.246.70000112.8A52S48-A52 WeakPolarHBondContact O-CB 3.4Å; S48-A52 PolarHBondContact O-N 3.31Å
49Q54.7Low77.3Confident135 Ų13570.8 Ų70.863%0.63138%0.38SS*.Hα-helixtrans-65.1-47.2171.6-73.2173-14.200111S47 A51 E53S47-Q49 PolarHBondContact O-N 3.06Å; Q49-A51 PolarHBondContact O-N 3.13Å; Q49-E53 VanDerWaalsContact O-CB 3.27Å; Q49-E53 WeakPolarHBondContact O-CB 3.5Å; Q49-E53 VanDerWaalsContact O-CG 3.28Å; Q49-E53 WeakPolarHBondContact O-CG 3.42Å; Q49-E53 PolarHBondContact O-N 3.04Å; Q49-E53 VanDerWaalsContact O-N 3.14Å
50N56.5Low77.5Confident80 Ų8070.3 Ų70.343%0.42838%0.381SS..Hα-helixtrans-65.1-37.8179.7-69.7-9.9000112.4S47 N54S47-N50 PolarHBondContact O-N 3.34Å; S47-N50 VanDerWaalsContact O-N 3.08Å; S47-N50 VanDerWaalsContact OG-CB 3.28Å; S47-N50 WeakPolarHBondContact OG-CB 3.23Å; S47-N50 PolarHBondContact OG-N 3.48Å; S47-N50 VanDerWaalsContact OG-N 3.14Å; S47-N50 PolarHBondContact OG-ND2 3.16Å; S47-N50 VanDerWaalsContact OG-ND2 3.13Å; S47-N50 PolarHBondContact OG-OD1 3.15Å; N50-N54 WeakPolarHBondContact CA-ND2 3.15Å; N50-N54 WeakPolarHBondContact O-CB 2.97Å; N50-N54 PolarHBondContact O-N 3.27Å; N50-N54 PolarHBondContact O-ND2 3.2Å
51A58.5Low77.7Confident3 Ų364.9 Ų64.93%0.02535%0.354CS..Hα-helixtrans-80.1-35.1-17400000113.6I46 S47 Q49 I56 A98 V100I46-A51 HydrophobicContact CG2-CB 3.89Å; S47-A51 PolarHBondContact O-N 3.48Å; Q49-A51 PolarHBondContact O-N 3.13Å; A51-I56 HydrophobicContact CB-CD1 3.65Å; A51-A98 HydrophobicContact CB-CB 4.15Å; A51-A98 WeakPolarHBondContact CB-O 3.45Å; A51-V100 HydrophobicContact CB-CG2 4.32Å
52A53.5Low78Confident77 Ų7763.4 Ų63.464%0.63635%0.345SS*.Hα-helixtrans-72.6-33.8174.400000112.6S48S48-A52 WeakPolarHBondContact O-CB 3.4Å; S48-A52 PolarHBondContact O-N 3.31Å
53E59.5Low78.5Confident149 Ų14963.5 Ų63.570%0.69635%0.345SS*.Hα-helixtrans-83.4-31.8178.8-66.6171.6-171.600112.9Q49 N55Q49-E53 VanDerWaalsContact O-CB 3.27Å; Q49-E53 WeakPolarHBondContact O-CB 3.5Å; Q49-E53 VanDerWaalsContact O-CG 3.28Å; Q49-E53 WeakPolarHBondContact O-CG 3.42Å; Q49-E53 PolarHBondContact O-N 3.04Å; Q49-E53 VanDerWaalsContact O-N 3.14Å; E53-N55 PolarHBondContact O-N 3.38Å
54N63.9Low79Confident107 Ų10760.4 Ų60.457%0.57233%0.325SS*.THydrogen-bonded Turntrans-91.115.5-173.6-64.1-47.3000115.3N50 I56N50-N54 WeakPolarHBondContact CA-ND2 3.15Å; N50-N54 WeakPolarHBondContact O-CB 2.97Å; N50-N54 PolarHBondContact O-N 3.27Å; N50-N54 PolarHBondContact O-ND2 3.2Å; N54-I56 VanDerWaalsContact C-N 3.32Å; N54-I56 PolarHBondContact O-N 2.79Å
55N80.3Confident79.5Confident118 Ų11849.9 Ų49.963%0.63129%0.286SS*.THydrogen-bonded Turntrans35.258.4176.1-168.617.7000113.9E53 A57E53-N55 PolarHBondContact O-N 3.38Å; N55-A57 PolarHBondContact O-N 2.69Å; N55-A57 VanDerWaalsContact O-N 3.15Å
56I89.9Confident80.3Confident41 Ų4148.9 Ų48.921%0.2128%0.281CS..  trans-58.7122.2-173.2-66.4173.8000109.8A51 N54 V59 V100 K104A51-I56 HydrophobicContact CB-CD1 3.65Å; N54-I56 VanDerWaalsContact C-N 3.32Å; N54-I56 PolarHBondContact O-N 2.79Å; I56-V59 HydrophobicContact CG2-CG2 3.6Å; I56-V100 HydrophobicContact CB-CG2 4.15Å; I56-V100 HydrophobicContact CD1-CG2 3.56Å; I56-V100 HydrophobicContact CG1-CG2 4.41Å; I56-V100 HydrophobicContact CG2-CG1 4.42Å; I56-V100 HydrophobicContact CG2-CG2 4.13Å; I56-K104 WeakPolarHBondContact O-CD 3.23Å; I56-K104 WeakPolarHBondContact O-CE 3.49Å; I56-K104 PolarHBondContact O-NZ 3.17Å
57A92.2Very high81.3Confident15 Ų1547.6 Ų47.612%0.12428%0.275CS..  trans-80.5-38.1-179.700000112.8N55 V198 L201N55-A57 PolarHBondContact O-N 2.69Å; N55-A57 VanDerWaalsContact O-N 3.15Å; A57-V198 HydrophobicContact CB-CG1 4.11Å; A57-L201 HydrophobicContact CB-CD1 4.31Å
58A94.6Very high82.8Confident32 Ų3245.7 Ų45.726%0.26426%0.262SS..  trans-159.4156.3175.500000111.7K104 L194A58-K104 CarbonylContact C-O 2.99Å; A58-K104 VanDerWaalsContact CA-O 3.25Å; A58-K104 WeakPolarHBondContact CA-O 3.44Å; A58-L194 HydrophobicContact CB-CD2 3.42Å; A58-L194 VanDerWaalsContact CB-CD2 3.42Å
59V95.1Very high84.7Confident27 Ų2741.9 Ų41.916%0.16424%0.235CC..EExtended strand (participates in β ladder)trans-129.4131.5171.5178.20000109.5I56 V61 L95 V100 K104 V105 I106I56-V59 HydrophobicContact CG2-CG2 3.6Å; V59-V61 HydrophobicContact CG1-CG2 4.43Å; V59-L95 HydrophobicContact CB-CD1 4.5Å; V59-L95 HydrophobicContact CG1-CD1 3.95Å; V59-L95 HydrophobicContact CG1-CD2 4.25Å; V59-V100 HydrophobicContact CB-CG1 4.44Å; V59-V100 HydrophobicContact CG2-CG1 3.77Å; V59-V100 HydrophobicContact CG2-CG2 4.29Å; V59-K104 PolarHBondContact N-O 3.41Å; V59-V105 WeakPolarHBondContact O-CA 3.39Å; V59-I106 PolarHBondContact O-N 3Å
60T96.8Very high86.8Confident38 Ų3836.8 Ų36.823%0.23321%0.212CC..EExtended strand (participates in β ladder)trans-101.2126.7172.8580000111.7I106 I108 L190T60-I106 CarbonylContact C-O 3.58Å; T60-I106 VanDerWaalsContact CA-O 3.29Å; T60-I106 WeakPolarHBondContact CA-O 3.46Å; T60-I106 HydrophobicContact CG2-CB 4.42Å; T60-I108 HydrophobicContact CG2-CD1 4.21Å; T60-L190 HydrophobicContact CG2-CD1 3.84Å; T60-L190 HydrophobicContact CG2-CD2 4.13Å
61V97.4Very high88.7Confident7 Ų739.1 Ų39.14%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-109.8112174.4-176.70000108.2V59 F63 L88 I91 L95 V105 I106 F107 I108V59-V61 HydrophobicContact CG1-CG2 4.43Å; V61-F63 HydrophobicContact CG1-CD2 3.87Å; V61-F63 HydrophobicContact CG1-CE2 4.37Å; V61-L88 HydrophobicContact CG1-CD2 4.29Å; V61-I91 HydrophobicContact CG1-CG2 4.1Å; V61-I91 HydrophobicContact CG2-CG2 3.91Å; V61-L95 HydrophobicContact CG2-CD1 4.04Å; V61-V105 HydrophobicContact CG2-CG1 4.02Å; V61-I106 PolarHBondContact N-O 3.35Å; V61-F107 HydrophobicContact CB-CD1 3.69Å; V61-F107 HydrophobicContact CB-CE1 3.75Å; V61-F107 HydrophobicContact CB-CG 4.41Å; V61-F107 HydrophobicContact CG1-CD1 3.8Å; V61-F107 HydrophobicContact CG1-CE1 3.63Å; V61-F107 HydrophobicContact CG2-CE1 4.22Å; V61-F107 CarbonylContact O-C 3.45Å; V61-F107 WeakPolarHBondContact O-CA 3.31Å; V61-I108 PolarHBondContact O-N 2.93Å
62F97.9Very high90.6Very high2 Ų244.4 Ų44.41%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-133.889-172.7-171.7-176.1000109.1M1 K2 W11 I108 T109 L157M1-F62 PolarHBondContact N-O 3.09Å; K2-F62 HydrophobicContact CG-CD1 3.76Å; K2-F62 HydrophobicContact CG-CE1 3.92Å; K2-F62 HydrophobicContact CG-CG 4.32Å; W11-F62 HydrophobicContact CZ2-CD1 4.33Å; F62-I108 HydrophobicContact CB-CB 3.82Å; F62-I108 HydrophobicContact CB-CD1 4.24Å; F62-I108 HydrophobicContact CB-CG1 4.32Å; F62-I108 HydrophobicContact CD1-CB 4.08Å; F62-I108 HydrophobicContact CD1-CD1 4.04Å; F62-I108 HydrophobicContact CD1-CG2 3.89Å; F62-I108 HydrophobicContact CD2-CB 3.76Å; F62-I108 HydrophobicContact CD2-CG2 3.74Å; F62-I108 WeakPolarHBondContact CD2-O 3.33Å; F62-I108 HydrophobicContact CE1-CG2 3.89Å; F62-I108 HydrophobicContact CE2-CB 4.3Å; F62-I108 HydrophobicContact CE2-CG2 3.75Å; F62-I108 HydrophobicContact CG-CB 3.64Å; F62-I108 HydrophobicContact CG-CD1 4.29Å; F62-I108 HydrophobicContact CG-CG1 4.45Å; F62-I108 HydrophobicContact CG-CG2 3.81Å; F62-I108 HydrophobicContact CZ-CG2 3.82Å; F62-T109 WeakPolarHBondContact CE2-O 3.48Å; F62-L157 HydrophobicContact CE1-CD1 4.15Å; F62-L157 HydrophobicContact CE2-CD1 4.23Å; F62-L157 HydrophobicContact CZ-CD1 3.59Å
63F98Very high92.7Very high15 Ų1545.2 Ų45.27%0.06624%0.237CC..  trans-129.6-179.2178.6-73.2-73.9000109.4M1 A38 V61 Y84M1-F63 HydrophobicContact CB-CE2 4.3Å; M1-F63 HydrophobicContact CB-CZ 3.92Å; M1-F63 HydrophobicContact CE-CE2 4.05Å; M1-F63 HydrophobicContact CE-CZ 3.63Å; M1-F63 HydrophobicContact CG-CE2 4.25Å; M1-F63 HydrophobicContact CG-CZ 4.24Å; A38-F63 HydrophobicContact CB-CD1 4.44Å; A38-F63 HydrophobicContact CB-CD2 4.24Å; A38-F63 HydrophobicContact CB-CE1 3.75Å; A38-F63 HydrophobicContact CB-CE2 3.51Å; A38-F63 HydrophobicContact CB-CZ 3.23Å; V61-F63 HydrophobicContact CG1-CD2 3.87Å; V61-F63 HydrophobicContact CG1-CE2 4.37Å; F63-Y84 HydrophobicContact CB-CE2 4.38Å; F63-Y84 PolarHBondContact O-OH 3.12Å
64G98Very high94.5Very high0 Ų039.3 Ų39.30%021%0.21CC..  trans112-34.9177.700000113.8N66 D67 A68 Y84G64-N66 VanDerWaalsContact C-N 3.31Å; G64-N66 PolarHBondContact O-N 3.42Å; G64-D67 WeakPolarHBondContact CA-OD2 3.5Å; G64-D67 PolarHBondContact N-OD2 3.07Å; G64-D67 PolarHBondContact O-N 3.2Å; G64-A68 WeakPolarHBondContact O-CB 3.25Å; G64-A68 PolarHBondContact O-N 2.93Å; G64-Y84 VanDerWaalsContact CA-CE2 3.48Å
65A97.6Very high96.1Very high6 Ų638.4 Ų38.45%0.0521%0.21CC..THydrogen-bonded Turntrans-67.1-32.4-176.700000113P110 R131 L176A65-P110 HydrophobicContact CB-CB 4.15Å; A65-R131 PolarHBondContact O-NE 2.83Å; A65-L176 HydrophobicContact CB-CD1 4.37Å
66N98.4Very high96.9Very high26 Ų2639.7 Ų39.714%0.13921%0.212CC..THydrogen-bonded Turntrans-87-40.8175.2-67.6-34.5000111.4G32 Y33 N34 G64 A68 S69 Q77 R131G32-N66 WeakPolarHBondContact CA-ND2 3.48Å; G32-N66 PolarHBondContact O-ND2 3.05Å; Y33-N66 PolarHBondContact O-ND2 3.41Å; N34-N66 HydrophobicContact CB-CB 4.44Å; G64-N66 VanDerWaalsContact C-N 3.31Å; G64-N66 PolarHBondContact O-N 3.42Å; N66-A68 PolarHBondContact O-N 3.3Å; N66-S69 VanDerWaalsContact O-CB 3.26Å; N66-S69 WeakPolarHBondContact O-CB 3.19Å; N66-S69 PolarHBondContact O-N 3.39Å; N66-S69 PolarHBondContact O-OG 3.06Å; N66-Q77 CarbonylContact C-O 3.59Å; N66-Q77 HydrophobicContact CB-CB 4.21Å; N66-Q77 CarbonylContact O-C 3.35Å; N66-Q77 PolarHBondContact OD1-NE2 3.01Å; N66-R131 PolarHBondContact OD1-NH2 2.67Å
67D98.8Very high97.2Very high0 Ų039.4 Ų39.40%021%0.21CC..THydrogen-bonded Turntrans-52.2-42.2174.5-54-106.9000111.7S35 G64 S69 H78 V79 Y84 Y139S35-D67 WeakPolarHBondContact CB-OD1 3.39Å; S35-D67 PolarHBondContact N-OD1 3.15Å; S35-D67 PolarHBondContact N-OD2 3.47Å; S35-D67 PolarHBondContact OG-OD1 3.03Å; G64-D67 WeakPolarHBondContact CA-OD2 3.5Å; G64-D67 PolarHBondContact N-OD2 3.07Å; G64-D67 PolarHBondContact O-N 3.2Å; D67-S69 PolarHBondContact O-N 3.38Å; D67-S69 VanDerWaalsContact O-N 3.11Å; D67-H78 PolarHBondContact O-ND1 3.43Å; D67-V79 HydrophobicContact CB-CB 4Å; D67-V79 HydrophobicContact CB-CG2 4.36Å; D67-V79 PolarHBondContact O-N 3.45Å; D67-V79 VanDerWaalsContact O-N 3.14Å; D67-V79 WeakPolarHBondContact OD1-CG2 3.47Å; D67-Y84 HydrophobicContact CB-CD2 3.84Å; D67-Y84 HydrophobicContact CB-CE2 4.32Å; D67-Y84 HydrophobicContact CB-CG 4.47Å; D67-Y84 WeakPolarHBondContact OD1-CD2 3.42Å; D67-Y139 HydrophobicContact CB-CD1 3.88Å; D67-Y139 HydrophobicContact CB-CE1 3.71Å; D67-Y139 PolarHBondContact O-OH 2.93Å
68A98.6Very high97.6Very high0 Ų039.8 Ų39.80%021%0.21CC..THydrogen-bonded Turntrans-72.58177.800000115.2G64 N66 V135 Y139G64-A68 WeakPolarHBondContact O-CB 3.25Å; G64-A68 PolarHBondContact O-N 2.93Å; N66-A68 PolarHBondContact O-N 3.3Å; A68-V135 HydrophobicContact CB-CG1 4.26Å; A68-Y139 HydrophobicContact CB-CD1 4.25Å; A68-Y139 HydrophobicContact CB-CD2 3.54Å; A68-Y139 HydrophobicContact CB-CE2 3.88Å; A68-Y139 HydrophobicContact CB-CG 3.75Å
69S98.4Very high97.8Very high1 Ų138.3 Ų38.31%0.00720%0.197CC..SBendtrans-59.7147.5169-590000110.4N66 D67 N74 H78 N130 R131N66-S69 VanDerWaalsContact O-CB 3.26Å; N66-S69 WeakPolarHBondContact O-CB 3.19Å; N66-S69 PolarHBondContact O-N 3.39Å; N66-S69 PolarHBondContact O-OG 3.06Å; D67-S69 PolarHBondContact O-N 3.38Å; D67-S69 VanDerWaalsContact O-N 3.11Å; S69-N74 PolarHBondContact OG-ND2 3.2Å; S69-H78 PolarHBondContact O-ND1 3.11Å; S69-N130 CarbonylContact C-O 3.55Å; S69-N130 WeakPolarHBondContact CA-O 3.45Å; S69-R131 PolarHBondContact OG-NE 3.32Å; S69-R131 PolarHBondContact OG-NH2 3.05Å
70L98.4Very high97.9Very high28 Ų2839.4 Ų39.415%0.14721%0.205CC..  trans-70.9129.4175-56.9174.7000109.4D72 K73 N74 N130 V135L70-D72 VanDerWaalsContact C-N 3.31Å; L70-D72 PolarHBondContact O-N 2.81Å; L70-K73 HydrophobicContact CB-CB 4.09Å; L70-K73 HydrophobicContact CB-CG 3.97Å; L70-K73 HydrophobicContact CD1-CG 4.04Å; L70-K73 PolarHBondContact O-N 3.32Å; L70-K73 VanDerWaalsContact O-N 3.11Å; L70-N74 PolarHBondContact O-N 3.37Å; L70-N130 WeakPolarHBondContact CG-O 3.49Å; L70-N130 PolarHBondContact N-O 2.9Å; L70-V135 HydrophobicContact CD2-CG2 4.06Å
71E97.8Very high98Very high129 Ų12940.4 Ų40.460%0.60321%0.209SC*.THydrogen-bonded Turntrans-57-43.1-175.4-174.1174.6-162.600112.4K73 P75E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 3.14Å; E71-P75 WeakPolarHBondContact O-CA 3.48Å; E71-P75 WeakPolarHBondContact O-CB 3.46Å; E71-P75 WeakPolarHBondContact O-CD 3.25Å
72D97.6Very high98.1Very high114 Ų11445.5 Ų45.561%0.6124%0.24SC*.THydrogen-bonded Turntrans-76.1-16.5-178.471.8-52.3000113.6L70L70-D72 VanDerWaalsContact C-N 3.31Å; L70-D72 PolarHBondContact O-N 2.81Å
73K97.5Very high98.1Very high94 Ų9448.3 Ų48.341%0.40925%0.253SS..THydrogen-bonded Turntrans-104.2-33.3-178.6-54.9-50-171.6-143.90113.5L70 E71 P128 N130L70-K73 HydrophobicContact CB-CB 4.09Å; L70-K73 HydrophobicContact CB-CG 3.97Å; L70-K73 HydrophobicContact CD1-CG 4.04Å; L70-K73 PolarHBondContact O-N 3.32Å; L70-K73 VanDerWaalsContact O-N 3.11Å; E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 3.14Å; K73-P128 HydrophobicContact CB-CG 4.43Å; K73-P128 HydrophobicContact CD-CG 3.86Å; K73-P128 HydrophobicContact CG-CG 4.44Å; K73-N130 HydrophobicContact CB-CB 3.79Å
74N97.1Very high98.2Very high25 Ų2547.6 Ų47.613%0.13425%0.25CC..  trans-150.470.1-177.5-1788000110.6S69 L70 Q76 Q77 H78 N130S69-N74 PolarHBondContact OG-ND2 3.2Å; L70-N74 PolarHBondContact O-N 3.37Å; N74-Q76 PolarHBondContact O-N 3.28Å; N74-Q77 PolarHBondContact ND2-OE1 3.28Å; N74-Q77 PolarHBondContact O-N 2.92Å; N74-Q77 PolarHBondContact OD1-N 3.23Å; N74-H78 PolarHBondContact O-N 2.96Å; N74-H78 VanDerWaalsContact O-N 3.17Å; N74-N130 HydrophobicContact CB-CB 4.06Å
75P97.3Very high98.2Very high89 Ų8948.4 Ų48.458%0.57826%0.256SS*.THydrogen-bonded Turntrans-64.5-23.6-177.425-34000112.8E71 Q77E71-P75 WeakPolarHBondContact O-CA 3.48Å; E71-P75 WeakPolarHBondContact O-CB 3.46Å; E71-P75 WeakPolarHBondContact O-CD 3.25Å; P75-Q77 PolarHBondContact O-N 2.99Å
76Q97.1Very high98.3Very high144 Ų14451.5 Ų51.567%0.67327%0.269SS*.THydrogen-bonded Turntrans-65.2-40.2-179.2-174175.55.700112.1W37 N74W37-Q76 HydrophobicContact CH2-CG 4.15Å; W37-Q76 HydrophobicContact CZ2-CG 4.25Å; W37-Q76 WeakPolarHBondContact CZ2-O 3.48Å; N74-Q76 PolarHBondContact O-N 3.28Å
77Q97.8Very high98.3Very high35 Ų3550.4 Ų50.416%0.16426%0.263CS..THydrogen-bonded Turntrans-91.1-25.3178.7-66.5-168.7-60.200112.9G32 N34 N66 N74 P75G32-Q77 PolarHBondContact O-NE2 3.22Å; N34-Q77 PolarHBondContact ND2-O 3.27Å; N34-Q77 VanDerWaalsContact ND2-O 3.1Å; N66-Q77 CarbonylContact C-O 3.59Å; N66-Q77 HydrophobicContact CB-CB 4.21Å; N66-Q77 CarbonylContact O-C 3.35Å; N66-Q77 PolarHBondContact OD1-NE2 3.01Å; N74-Q77 PolarHBondContact ND2-OE1 3.28Å; N74-Q77 PolarHBondContact O-N 2.92Å; N74-Q77 PolarHBondContact OD1-N 3.23Å; P75-Q77 PolarHBondContact O-N 2.99Å
78H98.6Very high98.3Very high24 Ų2450.4 Ų50.411%0.11126%0.263CS..  trans-56.7135.4-178.8-177.866.7000112.9R36 D67 S69 N74R36-H78 PolarHBondContact NH1-O 3.39Å; D67-H78 PolarHBondContact O-ND1 3.43Å; S69-H78 PolarHBondContact O-ND1 3.11Å; N74-H78 PolarHBondContact O-N 2.96Å; N74-H78 VanDerWaalsContact O-N 3.17Å
79V98.8Very high98.3Very high0 Ų051.6 Ų51.60%027%0.268CS..  trans-134.1119.5170.2177.40000107.5N34 R36 D67 E83 Y139N34-V79 HydrophobicContact CB-CG2 3.72Å; R36-V79 HydrophobicContact CB-CG2 4.02Å; D67-V79 HydrophobicContact CB-CB 4Å; D67-V79 HydrophobicContact CB-CG2 4.36Å; D67-V79 PolarHBondContact O-N 3.45Å; D67-V79 VanDerWaalsContact O-N 3.14Å; D67-V79 WeakPolarHBondContact OD1-CG2 3.47Å; V79-E83 HydrophobicContact CG1-CB 3.94Å; V79-E83 HydrophobicContact CG1-CG 4.09Å; V79-Y139 VanDerWaalsContact O-CE1 3.3Å; V79-Y139 WeakPolarHBondContact O-CE1 3.34Å; V79-Y139 PolarHBondContact O-OH 3.43Å
80P98.8Very high98.2Very high51 Ų5155.5 Ų55.533%0.33129%0.287SS..  trans-52.6143-179.2-28.135.4000112.7T82 E83 Y84P80-T82 VanDerWaalsContact C-N 3.29Å; P80-T82 PolarHBondContact O-N 2.69Å; P80-T82 VanDerWaalsContact O-N 3.16Å; P80-E83 HydrophobicContact CB-CB 4.41Å; P80-E83 CarbonylContact O-C 3.56Å; P80-E83 WeakPolarHBondContact O-CA 3.2Å; P80-E83 WeakPolarHBondContact O-CB 3.44Å; P80-E83 PolarHBondContact O-N 2.92Å; P80-Y84 PolarHBondContact O-N 3.27Å
81L98.8Very high98.2Very high59 Ų5954.4 Ų54.431%0.30928%0.281SS..Hα-helixtrans-54.5-41.6-171.3-172.466.8000113.6Y84 S85 Q138 Y139 A142L81-Y84 HydrophobicContact CD1-CD1 4.47Å; L81-Y84 PolarHBondContact O-N 3.16Å; L81-S85 PolarHBondContact O-N 2.82Å; L81-Q138 HydrophobicContact CD1-CB 4.41Å; L81-Q138 HydrophobicContact CD2-CB 4.14Å; L81-Y139 HydrophobicContact CD1-CD1 3.91Å; L81-Y139 HydrophobicContact CD1-CD2 3.69Å; L81-Y139 HydrophobicContact CD1-CE1 4.05Å; L81-Y139 HydrophobicContact CD1-CE2 3.86Å; L81-Y139 HydrophobicContact CD1-CG 3.71Å; L81-A142 HydrophobicContact CD1-CB 3.76Å; L81-A142 HydrophobicContact CG-CB 4.35Å
82T98.7Very high98.1Very high114 Ų11448.5 Ų48.570%0.69925%0.253SS*.Hα-helixtrans-62.1-44.1175.7-550000111.5P80 S85 E86P80-T82 VanDerWaalsContact C-N 3.29Å; P80-T82 PolarHBondContact O-N 2.69Å; P80-T82 VanDerWaalsContact O-N 3.16Å; T82-S85 PolarHBondContact O-N 2.89Å; T82-E86 PolarHBondContact O-N 2.94Å; T82-E86 VanDerWaalsContact O-N 3.12Å
83E98.8Very high98Very high60 Ų6049.6 Ų49.628%0.2825%0.249SC..Hα-helixtrans-66.2-41.8177.3-166.4-163.5135.500111.1R36 V79 P80 S85 E86 N87R36-E83 WeakPolarHBondContact CG-OE1 3.27Å; R36-E83 IonicContact CZ-OE1 3.36Å; R36-E83 IonicContact CZ-OE2 3.73Å; R36-E83 IonicContact NE-OE1 3.36Å; R36-E83 PolarHBondContact NE-OE1 3.48Å; R36-E83 IonicContact NE-OE2 3.49Å; R36-E83 PolarHBondContact NE-OE2 3.06Å; R36-E83 VanDerWaalsContact NH2-CD 3.33Å; R36-E83 IonicContact NH2-OE1 3.78Å; R36-E83 PolarHBondContact NH2-OE1 2.84Å; R36-E83 IonicContact NH2-OE2 3.82Å; R36-E83 PolarHBondContact NH2-OE2 3.19Å; V79-E83 HydrophobicContact CG1-CB 3.94Å; V79-E83 HydrophobicContact CG1-CG 4.09Å; P80-E83 HydrophobicContact CB-CB 4.41Å; P80-E83 CarbonylContact O-C 3.56Å; P80-E83 WeakPolarHBondContact O-CA 3.2Å; P80-E83 WeakPolarHBondContact O-CB 3.44Å; P80-E83 PolarHBondContact O-N 2.92Å; E83-S85 VanDerWaalsContact C-N 3.34Å; E83-S85 PolarHBondContact O-N 3.2Å; E83-E86 PolarHBondContact O-N 3.1Å; E83-N87 VanDerWaalsContact O-CB 3.25Å; E83-N87 WeakPolarHBondContact O-CB 3.47Å; E83-N87 PolarHBondContact O-N 2.89Å; E83-N87 PolarHBondContact O-ND2 3.06Å; E83-N87 PolarHBondContact O-OD1 2.92Å; E83-N87 PolarHBondContact OE1-ND2 3.27Å
84Y98.9Very high97.9Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-56.6-46.3174.8169.2-103.8000111.8F63 G64 D67 P80 L81 N87 L88 Y139 A142 C143F63-Y84 HydrophobicContact CB-CE2 4.38Å; F63-Y84 PolarHBondContact O-OH 3.12Å; G64-Y84 VanDerWaalsContact CA-CE2 3.48Å; D67-Y84 HydrophobicContact CB-CD2 3.84Å; D67-Y84 HydrophobicContact CB-CE2 4.32Å; D67-Y84 HydrophobicContact CB-CG 4.47Å; D67-Y84 WeakPolarHBondContact OD1-CD2 3.42Å; P80-Y84 PolarHBondContact O-N 3.27Å; L81-Y84 HydrophobicContact CD1-CD1 4.47Å; L81-Y84 PolarHBondContact O-N 3.16Å; Y84-N87 WeakPolarHBondContact O-CB 3.39Å; Y84-N87 PolarHBondContact O-N 3.47Å; Y84-L88 HydrophobicContact CD1-CD1 4.38Å; Y84-L88 HydrophobicContact CE1-CD1 3.69Å; Y84-L88 HydrophobicContact CE1-CG 4.4Å; Y84-L88 HydrophobicContact CE2-CD1 4.14Å; Y84-L88 HydrophobicContact CE2-CD2 4.04Å; Y84-L88 HydrophobicContact CE2-CG 4.13Å; Y84-L88 WeakPolarHBondContact O-CG 3.47Å; Y84-L88 PolarHBondContact O-N 3.13Å; Y84-Y139 AromaticContact CD1-CD1 3.52Å; Y84-Y139 HydrophobicContact CD1-CD1 3.52Å; Y84-Y139 HydrophobicContact CD1-CE1 4.2Å; Y84-Y139 HydrophobicContact CD1-CG 4.32Å; Y84-Y139 HydrophobicContact CD2-CD1 4.06Å; Y84-Y139 HydrophobicContact CD2-CE1 4.49Å; Y84-Y139 AromaticContact CE1-CD1 3.93Å; Y84-Y139 HydrophobicContact CE1-CD1 3.93Å; Y84-Y139 HydrophobicContact CE1-CG 4.46Å; Y84-Y139 VanDerWaalsContact CE1-O 3.27Å; Y84-Y139 WeakPolarHBondContact CE1-O 3.11Å; Y84-Y139 HydrophobicContact CE2-CD1 4.43Å; Y84-Y139 AromaticContact CG-CD1 3.57Å; Y84-Y139 HydrophobicContact CG-CD1 3.57Å; Y84-Y139 AromaticContact CG-CE1 3.92Å; Y84-Y139 HydrophobicContact CG-CE1 3.92Å; Y84-A142 HydrophobicContact CD1-CB 4.18Å; Y84-A142 HydrophobicContact CE1-CB 4.25Å; Y84-C143 HydrophobicContact CE1-CB 4.21Å; Y84-C143 WeakPolarHBondContact OH-CB 3.3Å
85S98.8Very high97.7Very high18 Ų1846.5 Ų46.513%0.12623%0.234CC..Hα-helixtrans-59.8-48.4177.1-1730000112L81 T82 E83 N87 L88 K89L81-S85 PolarHBondContact O-N 2.82Å; T82-S85 PolarHBondContact O-N 2.89Å; E83-S85 VanDerWaalsContact C-N 3.34Å; E83-S85 PolarHBondContact O-N 3.2Å; S85-N87 VanDerWaalsContact C-N 3.28Å; S85-N87 PolarHBondContact O-N 3.46Å; S85-L88 PolarHBondContact O-N 3.4Å; S85-K89 WeakPolarHBondContact O-CG 3.34Å; S85-K89 PolarHBondContact O-N 3.44Å; S85-K89 WeakPolarHBondContact OG-CE 3.21Å
86E98.7Very high97.5Very high71 Ų7145.6 Ų45.633%0.33223%0.228SC..Hα-helixtrans-65.1-34.6176.5-69.9-51124.500112T82 E83 L88 K89 E90T82-E86 PolarHBondContact O-N 2.94Å; T82-E86 VanDerWaalsContact O-N 3.12Å; E83-E86 PolarHBondContact O-N 3.1Å; E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 3.02Å; E86-K89 PolarHBondContact O-N 2.92Å; E86-K89 IonicContact OE1-NZ 3.51Å; E86-K89 PolarHBondContact OE1-NZ 3.42Å; E86-E90 WeakPolarHBondContact O-CG 3.31Å; E86-E90 PolarHBondContact O-N 3.36Å
87N98.7Very high97.2Very high2 Ų243.1 Ų43.11%0.01123%0.226CC..Hα-helixtrans-62.5-42.1177.9-72.8-17.4000112S35 R36 K39 E83 Y84 S85 E90 I91S35-N87 PolarHBondContact OG-ND2 3.35Å; R36-N87 PolarHBondContact N-ND2 2.99Å; K39-N87 HydrophobicContact CD-CB 3.56Å; K39-N87 VanDerWaalsContact CD-CG 3.41Å; K39-N87 WeakPolarHBondContact CD-OD1 3.34Å; K39-N87 WeakPolarHBondContact CE-OD1 3.41Å; K39-N87 HydrophobicContact CG-CB 4.42Å; K39-N87 PolarHBondContact NZ-OD1 2.99Å; E83-N87 VanDerWaalsContact O-CB 3.25Å; E83-N87 WeakPolarHBondContact O-CB 3.47Å; E83-N87 PolarHBondContact O-N 2.89Å; E83-N87 PolarHBondContact O-ND2 3.06Å; E83-N87 PolarHBondContact O-OD1 2.92Å; E83-N87 PolarHBondContact OE1-ND2 3.27Å; Y84-N87 WeakPolarHBondContact O-CB 3.39Å; Y84-N87 PolarHBondContact O-N 3.47Å; S85-N87 VanDerWaalsContact C-N 3.28Å; S85-N87 PolarHBondContact O-N 3.46Å; N87-E90 PolarHBondContact O-N 3.12Å; N87-I91 VanDerWaalsContact O-CG1 3.3Å; N87-I91 WeakPolarHBondContact O-CG1 3.47Å; N87-I91 PolarHBondContact O-N 2.93Å
88L98.6Very high96.8Very high1 Ų141.7 Ų41.71%0.00522%0.221CC..Hα-helixtrans-63.3-41.6175.5-64.8-178.6000112V61 Y84 S85 E86 I91 S92 F107 C143 A146V61-L88 HydrophobicContact CG1-CD2 4.29Å; Y84-L88 HydrophobicContact CD1-CD1 4.38Å; Y84-L88 HydrophobicContact CE1-CD1 3.69Å; Y84-L88 HydrophobicContact CE1-CG 4.4Å; Y84-L88 HydrophobicContact CE2-CD1 4.14Å; Y84-L88 HydrophobicContact CE2-CD2 4.04Å; Y84-L88 HydrophobicContact CE2-CG 4.13Å; Y84-L88 WeakPolarHBondContact O-CG 3.47Å; Y84-L88 PolarHBondContact O-N 3.13Å; S85-L88 PolarHBondContact O-N 3.4Å; E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 3.02Å; L88-I91 PolarHBondContact O-N 3.01Å; L88-S92 PolarHBondContact O-N 3.46Å; L88-F107 HydrophobicContact CB-CE1 3.88Å; L88-F107 HydrophobicContact CB-CZ 4.49Å; L88-F107 HydrophobicContact CD1-CD1 4.49Å; L88-F107 HydrophobicContact CD2-CD1 4.18Å; L88-F107 HydrophobicContact CD2-CE1 3.94Å; L88-F107 HydrophobicContact CG-CE1 4.34Å; L88-C143 HydrophobicContact CD1-CB 3.88Å; L88-A146 HydrophobicContact CB-CB 4.06Å; L88-A146 HydrophobicContact CD1-CB 4.09Å
89K98.5Very high96.4Very high24 Ų2442.8 Ų42.810%0.10424%0.238CC..Hα-helixtrans-65-41.6177.6-62.8171.7-157.8174.80111.6S85 E86 S92 R93 A146S85-K89 WeakPolarHBondContact O-CG 3.34Å; S85-K89 PolarHBondContact O-N 3.44Å; S85-K89 WeakPolarHBondContact OG-CE 3.21Å; E86-K89 PolarHBondContact O-N 2.92Å; E86-K89 IonicContact OE1-NZ 3.51Å; E86-K89 PolarHBondContact OE1-NZ 3.42Å; K89-S92 WeakPolarHBondContact O-CB 3.48Å; K89-S92 PolarHBondContact O-N 3.02Å; K89-R93 WeakPolarHBondContact O-CG 3.49Å; K89-R93 PolarHBondContact O-N 2.72Å; K89-A146 HydrophobicContact CG-CB 4.23Å
90E97.9Very high96.1Very high84 Ų8442.8 Ų42.839%0.39324%0.238SC..Hα-helixtrans-65.2-39.9175.4-75.7-177.6-125.300112.7K39 E86 N87 S92 R93 F94K39-E90 HydrophobicContact CD-CB 4.43Å; K39-E90 VanDerWaalsContact CE-CD 3.41Å; K39-E90 WeakPolarHBondContact CE-OE2 3.44Å; K39-E90 IonicContact NZ-OE1 2.95Å; K39-E90 PolarHBondContact NZ-OE1 3.26Å; K39-E90 IonicContact NZ-OE2 3.78Å; K39-E90 PolarHBondContact NZ-OE2 2.89Å; E86-E90 WeakPolarHBondContact O-CG 3.31Å; E86-E90 PolarHBondContact O-N 3.36Å; N87-E90 PolarHBondContact O-N 3.12Å; E90-S92 VanDerWaalsContact C-N 3.31Å; E90-S92 PolarHBondContact O-N 3.07Å; E90-R93 PolarHBondContact O-N 3.36Å; E90-F94 WeakPolarHBondContact O-CB 3.38Å; E90-F94 PolarHBondContact O-N 2.85Å
91I96.8Very high95.8Very high5 Ų543.2 Ų43.23%0.02624%0.241CC..Hα-helixtrans-57.5-46.6171.3-72.7165.3000110.2A38 K39 L42 V61 N87 L88 F94 L95A38-I91 HydrophobicContact CB-CD1 4.17Å; K39-I91 HydrophobicContact CG-CD1 4.17Å; K39-I91 HydrophobicContact CG-CG1 3.75Å; L42-I91 HydrophobicContact CD2-CB 4.35Å; L42-I91 HydrophobicContact CD2-CG1 4.27Å; L42-I91 HydrophobicContact CD2-CG2 3.85Å; V61-I91 HydrophobicContact CG1-CG2 4.1Å; V61-I91 HydrophobicContact CG2-CG2 3.91Å; N87-I91 VanDerWaalsContact O-CG1 3.3Å; N87-I91 WeakPolarHBondContact O-CG1 3.47Å; N87-I91 PolarHBondContact O-N 2.93Å; L88-I91 PolarHBondContact O-N 3.01Å; I91-F94 PolarHBondContact O-N 3.08Å; I91-L95 HydrophobicContact CG2-CD1 4.07Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.36Å
92S96.1Very high95.6Very high4 Ų441.5 Ų41.53%0.02824%0.235CC..Hα-helixtrans-60.7-47.6176.9-168.50000112.1L88 K89 E90 F94 L95 T96 C150L88-S92 PolarHBondContact O-N 3.46Å; K89-S92 WeakPolarHBondContact O-CB 3.48Å; K89-S92 PolarHBondContact O-N 3.02Å; E90-S92 VanDerWaalsContact C-N 3.31Å; E90-S92 PolarHBondContact O-N 3.07Å; S92-F94 VanDerWaalsContact C-N 3.29Å; S92-F94 PolarHBondContact O-N 3.47Å; S92-L95 PolarHBondContact O-N 3.45Å; S92-T96 PolarHBondContact O-N 3.2Å; S92-T96 PolarHBondContact O-OG1 3.3Å; S92-T96 VanDerWaalsContact O-OG1 3.1Å; S92-C150 WeakPolarHBondContact OG-CB 3.22Å
93R95.9Very high95.3Very high137 Ų13741 Ų4152%0.51723%0.228SC..Hα-helixtrans-60.1-41178.5-70.4175.4-162.2125.6-0.1111.5K89 E90 T96 S97K89-R93 WeakPolarHBondContact O-CG 3.49Å; K89-R93 PolarHBondContact O-N 2.72Å; E90-R93 PolarHBondContact O-N 3.36Å; R93-T96 PolarHBondContact O-N 2.93Å; R93-S97 WeakPolarHBondContact O-CB 3.35Å; R93-S97 PolarHBondContact O-N 3.31Å
94F94.8Very high95.1Very high53 Ų5340.9 Ų40.923%0.23223%0.227CC..Hα-helixtrans-61.6-49175.8175.4-91.6000111.4L42 P43 I46 E90 I91 S92 T96 S97 A98L42-F94 HydrophobicContact CB-CD1 4.38Å; L42-F94 HydrophobicContact CB-CE1 4.41Å; L42-F94 HydrophobicContact CD2-CB 4.43Å; L42-F94 HydrophobicContact CD2-CD1 3.38Å; L42-F94 HydrophobicContact CD2-CE1 4.03Å; L42-F94 HydrophobicContact CD2-CG 4.17Å; L42-F94 HydrophobicContact CG-CD1 3.61Å; L42-F94 HydrophobicContact CG-CE1 3.7Å; P43-F94 HydrophobicContact CB-CE2 3.94Å; P43-F94 HydrophobicContact CB-CZ 4Å; P43-F94 HydrophobicContact CG-CD2 4.27Å; P43-F94 HydrophobicContact CG-CE2 3.75Å; P43-F94 HydrophobicContact CG-CZ 4.08Å; I46-F94 HydrophobicContact CB-CE1 4.18Å; I46-F94 HydrophobicContact CG2-CE1 4.47Å; I46-F94 WeakPolarHBondContact O-CZ 3.41Å; E90-F94 WeakPolarHBondContact O-CB 3.38Å; E90-F94 PolarHBondContact O-N 2.85Å; I91-F94 PolarHBondContact O-N 3.08Å; S92-F94 VanDerWaalsContact C-N 3.29Å; S92-F94 PolarHBondContact O-N 3.47Å; F94-T96 VanDerWaalsContact C-N 3.32Å; F94-T96 PolarHBondContact O-N 3.25Å; F94-S97 PolarHBondContact O-N 2.96Å; F94-S97 VanDerWaalsContact O-N 3.1Å; F94-S97 PolarHBondContact O-OG 2.85Å; F94-A98 HydrophobicContact CE1-CB 4.44Å; F94-A98 PolarHBondContact O-N 2.86Å
95L93.6Very high95Very high1 Ų140.9 Ų40.91%0.00523%0.227CC..Hα-helixtrans-57.2-45.2177.1-71.5172.2000111.6L42 I46 V59 V61 I91 S92 S97 A98 G99 V100 V105L42-L95 HydrophobicContact CD2-CD2 4.49Å; L42-L95 HydrophobicContact CD2-CG 4.44Å; I46-L95 HydrophobicContact CD1-CD2 3.41Å; I46-L95 VanDerWaalsContact CD1-CD2 3.41Å; V59-L95 HydrophobicContact CB-CD1 4.5Å; V59-L95 HydrophobicContact CG1-CD1 3.95Å; V59-L95 HydrophobicContact CG1-CD2 4.25Å; V61-L95 HydrophobicContact CG2-CD1 4.04Å; I91-L95 HydrophobicContact CG2-CD1 4.07Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.36Å; S92-L95 PolarHBondContact O-N 3.45Å; L95-S97 PolarHBondContact O-N 3.43Å; L95-A98 CarbonylContact O-C 3.56Å; L95-A98 PolarHBondContact O-N 2.81Å; L95-A98 VanDerWaalsContact O-N 3.11Å; L95-G99 PolarHBondContact O-N 2.81Å; L95-V100 CarbonylContact C-O 3.31Å; L95-V100 HydrophobicContact CB-CB 4.18Å; L95-V100 WeakPolarHBondContact O-CB 3.38Å; L95-V100 PolarHBondContact O-N 2.83Å; L95-V105 HydrophobicContact CB-CG2 4.33Å; L95-V105 HydrophobicContact CD1-CG1 4.15Å; L95-V105 HydrophobicContact CD1-CG2 3.86Å
96T92.9Very high95Very high71 Ų7140 Ų4044%0.43622%0.221SC..Hα-helixtrans-58.4-46.5173.8-55.70000111.7S92 R93 F94 A98 G99 V100S92-T96 PolarHBondContact O-N 3.2Å; S92-T96 PolarHBondContact O-OG1 3.3Å; S92-T96 VanDerWaalsContact O-OG1 3.1Å; R93-T96 PolarHBondContact O-N 2.93Å; F94-T96 VanDerWaalsContact C-N 3.32Å; F94-T96 PolarHBondContact O-N 3.25Å; T96-A98 PolarHBondContact O-N 2.92Å; T96-G99 PolarHBondContact O-N 2.88Å; T96-V100 WeakPolarHBondContact CA-O 3.3Å; T96-V100 PolarHBondContact N-O 3.2Å
97S91.1Very high95Very high91 Ų9136.7 Ų36.764%0.63621%0.205SC*.Hα-helixtrans-65.1-2417875.70000113.7R93 F94 L95 G99R93-S97 WeakPolarHBondContact O-CB 3.35Å; R93-S97 PolarHBondContact O-N 3.31Å; F94-S97 PolarHBondContact O-N 2.96Å; F94-S97 VanDerWaalsContact O-N 3.1Å; F94-S97 PolarHBondContact O-OG 2.85Å; L95-S97 PolarHBondContact O-N 3.43Å; S97-G99 VanDerWaalsContact C-N 3.32Å
98A89.8Confident95Very high6 Ų636.6 Ų36.65%0.0520%0.204CC..THydrogen-bonded Turntrans-85.2-1.4174.700000112.9I46 A51 F94 L95 T96I46-A98 HydrophobicContact CG2-CB 4.09Å; A51-A98 HydrophobicContact CB-CB 4.15Å; A51-A98 WeakPolarHBondContact CB-O 3.45Å; F94-A98 HydrophobicContact CE1-CB 4.44Å; F94-A98 PolarHBondContact O-N 2.86Å; L95-A98 CarbonylContact O-C 3.56Å; L95-A98 PolarHBondContact O-N 2.81Å; L95-A98 VanDerWaalsContact O-N 3.11Å; T96-A98 PolarHBondContact O-N 2.92Å
99G89.4Confident95Very high46 Ų4636.5 Ų36.547%0.47420%0.204SC..THydrogen-bonded Turntrans94.314.5179.700000114.8L95 T96 S97 P101L95-G99 PolarHBondContact O-N 2.81Å; T96-G99 PolarHBondContact O-N 2.88Å; S97-G99 VanDerWaalsContact C-N 3.32Å; G99-P101 WeakPolarHBondContact O-CD 3.5Å
100V91.9Very high95Very high1 Ų135.4 Ų35.41%0.00620%0.2CC..  trans-100.9101.7170-177.30000108.8A51 I56 V59 L95 T96 K104 V105A51-V100 HydrophobicContact CB-CG2 4.32Å; I56-V100 HydrophobicContact CB-CG2 4.15Å; I56-V100 HydrophobicContact CD1-CG2 3.56Å; I56-V100 HydrophobicContact CG1-CG2 4.41Å; I56-V100 HydrophobicContact CG2-CG1 4.42Å; I56-V100 HydrophobicContact CG2-CG2 4.13Å; V59-V100 HydrophobicContact CB-CG1 4.44Å; V59-V100 HydrophobicContact CG2-CG1 3.77Å; V59-V100 HydrophobicContact CG2-CG2 4.29Å; L95-V100 CarbonylContact C-O 3.31Å; L95-V100 HydrophobicContact CB-CB 4.18Å; L95-V100 WeakPolarHBondContact O-CB 3.38Å; L95-V100 PolarHBondContact O-N 2.83Å; T96-V100 WeakPolarHBondContact CA-O 3.3Å; T96-V100 PolarHBondContact N-O 3.2Å; V100-K104 HydrophobicContact CG1-CB 4.04Å; V100-V105 HydrophobicContact CG1-CG2 3.99Å
101P92.6Very high95Very high59 Ų5931.6 Ų31.638%0.38318%0.182SC..  trans-65.1156.6-178.7-15.530.4000111.7G99 D103 K104G99-P101 WeakPolarHBondContact O-CD 3.5Å; P101-D103 VanDerWaalsContact C-N 3.26Å; P101-D103 WeakPolarHBondContact CB-OD1 3.34Å; P101-D103 PolarHBondContact O-N 3Å; P101-K104 WeakPolarHBondContact O-CB 3.45Å; P101-K104 PolarHBondContact O-N 3.21Å
102A94.3Very high95Very high23 Ų2331.4 Ų31.419%0.1918%0.181CC..G310 helixtrans-61.5-32-171.200000113.7K104 V105 C150 S152A102-K104 PolarHBondContact O-N 3.49Å; A102-V105 WeakPolarHBondContact O-CB 3.38Å; A102-V105 PolarHBondContact O-N 3.1Å; A102-C150 VanDerWaalsContact CB-O 3.26Å; A102-C150 WeakPolarHBondContact CB-O 3.36Å; A102-S152 WeakPolarHBondContact O-CA 3.47Å; A102-S152 WeakPolarHBondContact O-CB 3.38Å; A102-S152 PolarHBondContact O-OG 2.87Å
103D93.4Very high95.2Very high104 Ų10431.4 Ų31.456%0.55618%0.181SC*.G310 helixtrans-66-24.4176.366.2-16000112.5P101 V105 R197P101-D103 VanDerWaalsContact C-N 3.26Å; P101-D103 WeakPolarHBondContact CB-OD1 3.34Å; P101-D103 PolarHBondContact O-N 3Å; D103-V105 VanDerWaalsContact C-N 3.34Å; D103-R197 PolarHBondContact O-NH1 3.33Å; D103-R197 PolarHBondContact O-NH2 3.11Å
104K94.8Very high95.3Very high58 Ų5827.8 Ų27.825%0.25217%0.169SC..G310 helixtrans-82.2-10.9172.7-63.4-163.8178.7178.80113.4I56 A58 V59 V100 P101 A102 R197I56-K104 WeakPolarHBondContact O-CD 3.23Å; I56-K104 WeakPolarHBondContact O-CE 3.49Å; I56-K104 PolarHBondContact O-NZ 3.17Å; A58-K104 CarbonylContact C-O 2.99Å; A58-K104 VanDerWaalsContact CA-O 3.25Å; A58-K104 WeakPolarHBondContact CA-O 3.44Å; V59-K104 PolarHBondContact N-O 3.41Å; V100-K104 HydrophobicContact CG1-CB 4.04Å; P101-K104 WeakPolarHBondContact O-CB 3.45Å; P101-K104 PolarHBondContact O-N 3.21Å; A102-K104 PolarHBondContact O-N 3.49Å; K104-R197 VanDerWaalsContact C-NH1 3.3Å; K104-R197 PolarHBondContact O-NH1 2.9Å
105V96.9Very high95.5Very high0 Ų027.8 Ų27.80%017%0.17CC..EExtended strand (participates in β ladder)trans-89.6133.6177.4-175.70000109.9V59 V61 L95 V100 A102 D103 F107 D153V59-V105 WeakPolarHBondContact O-CA 3.39Å; V61-V105 HydrophobicContact CG2-CG1 4.02Å; L95-V105 HydrophobicContact CB-CG2 4.33Å; L95-V105 HydrophobicContact CD1-CG1 4.15Å; L95-V105 HydrophobicContact CD1-CG2 3.86Å; V100-V105 HydrophobicContact CG1-CG2 3.99Å; A102-V105 WeakPolarHBondContact O-CB 3.38Å; A102-V105 PolarHBondContact O-N 3.1Å; D103-V105 VanDerWaalsContact C-N 3.34Å; V105-F107 HydrophobicContact CG1-CD2 4.12Å; V105-F107 HydrophobicContact CG1-CE2 3.76Å; V105-F107 HydrophobicContact CG1-CZ 4.25Å; V105-D153 PolarHBondContact O-N 3.11Å
106I98.4Very high95.7Very high0 Ų031.2 Ų31.20%019%0.193CC..EExtended strand (participates in β ladder)trans-121.6113.9173.6-55.7172.4000107.8V59 T60 V61 D153 L190 L193 L194 R197V59-I106 PolarHBondContact O-N 3Å; T60-I106 CarbonylContact C-O 3.58Å; T60-I106 VanDerWaalsContact CA-O 3.29Å; T60-I106 WeakPolarHBondContact CA-O 3.46Å; T60-I106 HydrophobicContact CG2-CB 4.42Å; V61-I106 PolarHBondContact N-O 3.35Å; I106-D153 CarbonylContact C-O 3.57Å; I106-D153 WeakPolarHBondContact CA-O 3.29Å; I106-D153 HydrophobicContact CG1-CB 4.43Å; I106-L190 HydrophobicContact CD1-CD1 4Å; I106-L190 HydrophobicContact CG2-CD1 4.27Å; I106-L193 HydrophobicContact CD1-CB 3.81Å; I106-L193 HydrophobicContact CD1-CD1 4.45Å; I106-L193 HydrophobicContact CG2-CD1 3.74Å; I106-L194 HydrophobicContact CD1-CD2 3.72Å; I106-L194 HydrophobicContact CD1-CG 4.26Å; I106-R197 VanDerWaalsContact CG1-NH1 3.26Å
107F98.6Very high95.9Very high0 Ų029 Ų290%018%0.182CC..EExtended strand (participates in β ladder)trans-78.6145168.8-73.3-88.5000110V61 L88 V105 A147 D153 V154 L155V61-F107 HydrophobicContact CB-CD1 3.69Å; V61-F107 HydrophobicContact CB-CE1 3.75Å; V61-F107 HydrophobicContact CB-CG 4.41Å; V61-F107 HydrophobicContact CG1-CD1 3.8Å; V61-F107 HydrophobicContact CG1-CE1 3.63Å; V61-F107 HydrophobicContact CG2-CE1 4.22Å; V61-F107 CarbonylContact O-C 3.45Å; V61-F107 WeakPolarHBondContact O-CA 3.31Å; L88-F107 HydrophobicContact CB-CE1 3.88Å; L88-F107 HydrophobicContact CB-CZ 4.49Å; L88-F107 HydrophobicContact CD1-CD1 4.49Å; L88-F107 HydrophobicContact CD2-CD1 4.18Å; L88-F107 HydrophobicContact CD2-CE1 3.94Å; L88-F107 HydrophobicContact CG-CE1 4.34Å; V105-F107 HydrophobicContact CG1-CD2 4.12Å; V105-F107 HydrophobicContact CG1-CE2 3.76Å; V105-F107 HydrophobicContact CG1-CZ 4.25Å; F107-A147 HydrophobicContact CB-CB 3.89Å; F107-A147 HydrophobicContact CD2-CB 3.52Å; F107-A147 HydrophobicContact CE2-CB 4.32Å; F107-A147 HydrophobicContact CG-CB 3.89Å; F107-D153 PolarHBondContact N-O 3.29Å; F107-V154 HydrophobicContact CB-CB 4.41Å; F107-V154 HydrophobicContact CB-CG2 4.18Å; F107-V154 CarbonylContact O-C 3.58Å; F107-V154 VanDerWaalsContact O-CA 3.27Å; F107-V154 WeakPolarHBondContact O-CA 3.26Å; F107-L155 PolarHBondContact O-N 3.35Å
108I98.8Very high96.3Very high0 Ų025.3 Ų25.30%015%0.154CC..EExtended strand (participates in β ladder)trans-124.9123174.5-51.2-178.2000106.8T60 V61 F62 L155 L157T60-I108 HydrophobicContact CG2-CD1 4.21Å; V61-I108 PolarHBondContact O-N 2.93Å; F62-I108 HydrophobicContact CB-CB 3.82Å; F62-I108 HydrophobicContact CB-CD1 4.24Å; F62-I108 HydrophobicContact CB-CG1 4.32Å; F62-I108 HydrophobicContact CD1-CB 4.08Å; F62-I108 HydrophobicContact CD1-CD1 4.04Å; F62-I108 HydrophobicContact CD1-CG2 3.89Å; F62-I108 HydrophobicContact CD2-CB 3.76Å; F62-I108 HydrophobicContact CD2-CG2 3.74Å; F62-I108 WeakPolarHBondContact CD2-O 3.33Å; F62-I108 HydrophobicContact CE1-CG2 3.89Å; F62-I108 HydrophobicContact CE2-CB 4.3Å; F62-I108 HydrophobicContact CE2-CG2 3.75Å; F62-I108 HydrophobicContact CG-CB 3.64Å; F62-I108 HydrophobicContact CG-CD1 4.29Å; F62-I108 HydrophobicContact CG-CG1 4.45Å; F62-I108 HydrophobicContact CG-CG2 3.81Å; F62-I108 HydrophobicContact CZ-CG2 3.82Å; I108-L155 WeakPolarHBondContact CA-O 3.47Å; I108-L155 HydrophobicContact CG1-CB 4.25Å; I108-L155 HydrophobicContact CG2-CB 4.4Å; I108-L155 HydrophobicContact CG2-CD2 4.31Å; I108-L155 HydrophobicContact CG2-CG 4.4Å; I108-L157 HydrophobicContact CG2-CD1 3.38Å; I108-L157 HydrophobicContact CG2-CG 3.69Å
109T98.8Very high96.7Very high0 Ų029.6 Ų29.60%017%0.173CC..PPolyproline II helixtrans-70.6151.2-179.367.80000110.7F62 A140 C143 V144 V154 L155 D156 L157 W158F62-T109 WeakPolarHBondContact CE2-O 3.48Å; T109-A140 HydrophobicContact CG2-CB 4.34Å; T109-C143 HydrophobicContact CG2-CB 4.01Å; T109-V144 HydrophobicContact CG2-CG2 3.74Å; T109-V154 HydrophobicContact CG2-CG2 3.83Å; T109-L155 PolarHBondContact N-O 3.44Å; T109-L155 VanDerWaalsContact N-O 3.09Å; T109-D156 HydrophobicContact CG2-CB 4.12Å; T109-D156 WeakPolarHBondContact CG2-OD1 3.13Å; T109-D156 WeakPolarHBondContact OG1-CA 3.1Å; T109-D156 PolarHBondContact OG1-OD1 3Å; T109-L157 PolarHBondContact OG1-N 3.35Å; T109-W158 PolarHBondContact OG1-N 2.87Å
110P98.2Very high97.1Very high1 Ų134.4 Ų34.41%0.00618%0.181CC..PPolyproline II helixtrans-54.3136.7168.124.2-33.8000110A65 A140 W158A65-P110 HydrophobicContact CB-CB 4.15Å; P110-A140 HydrophobicContact CG-CB 4.22Å; P110-W158 WeakPolarHBondContact O-CB 3.49Å
111P97.6Very high97.4Very high4 Ų437 Ų373%0.02619%0.193CC..PPolyproline II helixtrans-67.4169175.231.9-36000110.6M161 L172P111-M161 HydrophobicContact CB-SD 3.94Å; P111-L172 HydrophobicContact CB-CD2 4.49Å
112P98.3Very high97.6Very high0 Ų034.3 Ų34.30%018%0.175CC..PPolyproline II helixtrans-60.2158.8170.4-16.831.6000111.4N133 W158 M161 Q162 F168 L172P112-N133 VanDerWaalsContact CA-OD1 3.24Å; P112-N133 WeakPolarHBondContact CA-OD1 3.36Å; P112-N133 WeakPolarHBondContact CB-OD1 3.45Å; P112-W158 HydrophobicContact CG-CG 4.42Å; P112-M161 HydrophobicContact CG-CB 4.03Å; P112-Q162 HydrophobicContact CB-CG 4.24Å; P112-Q162 HydrophobicContact CG-CG 3.68Å; P112-F168 HydrophobicContact CB-CD2 3.63Å; P112-F168 HydrophobicContact CB-CE2 3.83Å; P112-F168 HydrophobicContact CB-CG 4Å; P112-F168 HydrophobicContact CB-CZ 4.36Å; P112-F168 HydrophobicContact CG-CB 4.28Å; P112-F168 HydrophobicContact CG-CD2 4.25Å; P112-F168 HydrophobicContact CG-CG 4.24Å; P112-L172 VanDerWaalsContact O-CD1 3.31Å; P112-L172 WeakPolarHBondContact O-CD1 3.43Å
113I98.4Very high97.8Very high5 Ų538 Ų383%0.02620%0.195CC..  trans-112.8128177.7-61.6-178.1000108.8E115 W118 R131 N133 A136 G175 L176I113-E115 HydrophobicContact CG2-CG 4.3Å; I113-E115 PolarHBondContact O-N 2.56Å; I113-W118 HydrophobicContact CG2-CB 4.35Å; I113-R131 HydrophobicContact CD1-CB 3.6Å; I113-R131 HydrophobicContact CD1-CG 4.19Å; I113-N133 HydrophobicContact CB-CB 4.32Å; I113-N133 PolarHBondContact N-OD1 2.79Å; I113-N133 WeakPolarHBondContact O-CB 3.43Å; I113-A136 HydrophobicContact CD1-CB 3.79Å; I113-A136 HydrophobicContact CG1-CB 3.99Å; I113-G175 WeakPolarHBondContact CA-O 3.22Å; I113-L176 HydrophobicContact CD1-CD1 4.06Å; I113-L176 HydrophobicContact CG1-CD1 4.13Å
114H98.5Very high97.9Very high60 Ų6039.6 Ų39.628%0.27820%0.203SC..  trans-92.191.1169.8-177.3-123.1000109A117 W118 F168 T169 L172 G175H114-A117 WeakPolarHBondContact ND1-CB 3.49Å; H114-A117 PolarHBondContact O-N 3.3Å; H114-A117 VanDerWaalsContact O-N 3.13Å; H114-W118 PolarHBondContact O-N 3.36Å; H114-F168 HydrophobicContact CB-CE2 3.94Å; H114-T169 HydrophobicContact CB-CG2 4.17Å; H114-T169 VanDerWaalsContact CD2-CG2 3.45Å; H114-T169 WeakPolarHBondContact CD2-CG2 3.49Å; H114-L172 HydrophobicContact CB-CD1 4.02Å; H114-G175 PolarHBondContact N-O 3.01Å
115E98.6Very high97.9Very high54 Ų5442.8 Ų42.825%0.25222%0.217SC..Hα-helixtrans-53.5-44.8-171.9-59.1179.8-162.500113.7I113 A117 W118 E119 L129 H132 N133I113-E115 HydrophobicContact CG2-CG 4.3Å; I113-E115 PolarHBondContact O-N 2.56Å; E115-A117 VanDerWaalsContact C-N 3.31Å; E115-A117 PolarHBondContact O-N 3.01Å; E115-W118 PolarHBondContact O-N 2.99Å; E115-E119 WeakPolarHBondContact O-CB 3.44Å; E115-E119 PolarHBondContact O-N 3.24Å; E115-L129 HydrophobicContact CB-CD1 4.49Å; E115-L129 HydrophobicContact CB-CD2 4.16Å; E115-H132 VanDerWaalsContact OE1-CA 3.23Å; E115-H132 WeakPolarHBondContact OE1-CA 3.11Å; E115-H132 WeakPolarHBondContact OE1-CB 3.46Å; E115-H132 IonicContact OE1-CG 3.87Å; E115-H132 IonicContact OE1-ND1 2.69Å; E115-H132 IonicContact OE2-CE1 3.3Å; E115-H132 IonicContact OE2-ND1 3.47Å; E115-H132 PolarHBondContact OE2-ND1 3.02Å; E115-N133 PolarHBondContact OE1-N 2.92Å
116P98.4Very high97.9Very high73 Ų7346.3 Ų46.347%0.47425%0.253SS..Hα-helixtrans-64-31.1179.6-23.935.2000114.6K120P116-K120 WeakPolarHBondContact O-CG 3.39Å
117A98.3Very high97.7Very high25 Ų2548.2 Ų48.221%0.20727%0.266CS..Hα-helixtrans-77.3-43174.400000110.7H114 E115 E119 K120 E121 D174H114-A117 WeakPolarHBondContact ND1-CB 3.49Å; H114-A117 PolarHBondContact O-N 3.3Å; H114-A117 VanDerWaalsContact O-N 3.13Å; E115-A117 VanDerWaalsContact C-N 3.31Å; E115-A117 PolarHBondContact O-N 3.01Å; A117-E119 VanDerWaalsContact C-N 3.32Å; A117-E119 PolarHBondContact O-N 3.06Å; A117-K120 WeakPolarHBondContact O-CB 3.44Å; A117-K120 PolarHBondContact O-N 2.68Å; A117-E121 PolarHBondContact O-N 3.47Å; A117-D174 CarbonylContact C-O 3.14Å; A117-D174 VanDerWaalsContact C-O 3.31Å
118W98.3Very high97.6Very high13 Ų1351.7 Ų51.75%0.04929%0.288CS..Hα-helixtrans-67.1-33.6-179.5-175.9-121000112.8I113 H114 E115 K120 E121 C122 L129 N130 D174 L176I113-W118 HydrophobicContact CG2-CB 4.35Å; H114-W118 PolarHBondContact O-N 3.36Å; E115-W118 PolarHBondContact O-N 2.99Å; W118-K120 VanDerWaalsContact C-N 3.31Å; W118-K120 PolarHBondContact O-N 3.3Å; W118-E121 HydrophobicContact CE3-CB 3.84Å; W118-E121 HydrophobicContact CE3-CG 4.13Å; W118-E121 HydrophobicContact CZ3-CB 3.9Å; W118-E121 HydrophobicContact CZ3-CG 4.25Å; W118-E121 WeakPolarHBondContact O-CB 3.47Å; W118-E121 PolarHBondContact O-N 2.69Å; W118-C122 VanDerWaalsContact CE2-SG 3.58Å; W118-C122 PolarHBondContact NE1-SG 2.97Å; W118-C122 PolarHBondContact O-N 3.03Å; W118-C122 PolarHBondContact O-SG 2.86Å; W118-L129 HydrophobicContact CG-CD1 4.49Å; W118-N130 PolarHBondContact NE1-OD1 2.89Å; W118-D174 WeakPolarHBondContact CA-O 3.26Å; W118-D174 PolarHBondContact N-O 3.35Å; W118-L176 HydrophobicContact CD2-CB 3.81Å; W118-L176 HydrophobicContact CD2-CD2 4.16Å; W118-L176 HydrophobicContact CE3-CB 3.51Å; W118-L176 HydrophobicContact CE3-CD2 4.13Å; W118-L176 HydrophobicContact CE3-CG 4.46Å; W118-L176 HydrophobicContact CG-CB 4.41Å; W118-L176 HydrophobicContact CH2-CB 4.38Å; W118-L176 HydrophobicContact CH2-CD2 3.48Å; W118-L176 VanDerWaalsContact CH2-CD2 3.48Å; W118-L176 HydrophobicContact CZ2-CD2 3.5Å; W118-L176 HydrophobicContact CZ3-CB 3.82Å; W118-L176 HydrophobicContact CZ3-CD2 3.81Å; W118-L176 HydrophobicContact CZ3-CG 4.45Å
119E98.4Very high97.5Very high96 Ų9652.8 Ų52.845%0.44929%0.294SS..Hα-helixtrans-60.2-40.9174.5-176.5170.3-128.500111.6E115 A117 E121 C122 V123 L129E115-E119 WeakPolarHBondContact O-CB 3.44Å; E115-E119 PolarHBondContact O-N 3.24Å; A117-E119 VanDerWaalsContact C-N 3.32Å; A117-E119 PolarHBondContact O-N 3.06Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 3.4Å; E119-C122 WeakPolarHBondContact O-CB 3.43Å; E119-C122 PolarHBondContact O-N 3.31Å; E119-C122 VanDerWaalsContact O-N 3.14Å; E119-V123 HydrophobicContact CG-CG2 4.42Å; E119-V123 WeakPolarHBondContact O-CG2 3.44Å; E119-V123 PolarHBondContact O-N 2.97Å; E119-L129 HydrophobicContact CB-CB 4.34Å; E119-L129 HydrophobicContact CB-CD1 4.12Å; E119-L129 HydrophobicContact CG-CB 4.2Å
120K98.3Very high97.5Very high147 Ų14753.3 Ų53.364%0.63930%0.297SS*.Hα-helixtrans-59.1-44.2176.1-66.1172.4-176.6178.40111.1P116 A117 W118 V123 L124P116-K120 WeakPolarHBondContact O-CG 3.39Å; A117-K120 WeakPolarHBondContact O-CB 3.44Å; A117-K120 PolarHBondContact O-N 2.68Å; W118-K120 VanDerWaalsContact C-N 3.31Å; W118-K120 PolarHBondContact O-N 3.3Å; K120-V123 PolarHBondContact O-N 3.42Å; K120-L124 VanDerWaalsContact O-CG 3.31Å; K120-L124 WeakPolarHBondContact O-CG 3.25Å; K120-L124 PolarHBondContact O-N 3.1Å
121E97.6Very high97.5Very high56 Ų5653.4 Ų53.426%0.26230%0.297SS..Hα-helixtrans-64.1-39.3175.2-68-56.3129.800113.1A117 W118 E119 L124 K125 D174A117-E121 PolarHBondContact O-N 3.47Å; W118-E121 HydrophobicContact CE3-CB 3.84Å; W118-E121 HydrophobicContact CE3-CG 4.13Å; W118-E121 HydrophobicContact CZ3-CB 3.9Å; W118-E121 HydrophobicContact CZ3-CG 4.25Å; W118-E121 WeakPolarHBondContact O-CB 3.47Å; W118-E121 PolarHBondContact O-N 2.69Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 3.4Å; E121-L124 PolarHBondContact O-N 3.46Å; E121-K125 WeakPolarHBondContact O-CD 3.5Å; E121-K125 WeakPolarHBondContact O-CG 3.3Å; E121-K125 PolarHBondContact O-N 3.35Å; E121-K125 VanDerWaalsContact O-N 3.13Å; E121-K125 IonicContact OE2-NZ 2.73Å; E121-D174 HydrophobicContact CG-CB 3.75Å
122C96.9Very high97.5Very high1 Ų156.2 Ų56.21%0.00731%0.31CS..Hα-helixtrans-62.9-47.2176.5-66.10000110.5W118 E119 L124 K125 G126 C127W118-C122 VanDerWaalsContact CE2-SG 3.58Å; W118-C122 PolarHBondContact NE1-SG 2.97Å; W118-C122 PolarHBondContact O-N 3.03Å; W118-C122 PolarHBondContact O-SG 2.86Å; E119-C122 WeakPolarHBondContact O-CB 3.43Å; E119-C122 PolarHBondContact O-N 3.31Å; E119-C122 VanDerWaalsContact O-N 3.14Å; C122-L124 VanDerWaalsContact C-N 3.34Å; C122-L124 PolarHBondContact O-N 3.27Å; C122-K125 CarbonylContact O-C 3.5Å; C122-K125 WeakPolarHBondContact O-CA 3.07Å; C122-K125 PolarHBondContact O-N 3.23Å; C122-G126 PolarHBondContact O-N 2.83Å; C122-C127 CarbonylContact C-O 3.51Å; C122-C127 VanDerWaalsContact CB-O 3.26Å; C122-C127 WeakPolarHBondContact CB-O 3.45Å; C122-C127 PolarHBondContact O-N 3.32Å; C122-C127 PolarHBondContact O-SG 3.34Å
123V97.4Very high97.6Very high100 Ų10057.5 Ų57.561%0.60632%0.316SS*.Hα-helixtrans-59.3-43.8177.7170.20000111.2E119 K120 K125 G126 C127E119-V123 HydrophobicContact CG-CG2 4.42Å; E119-V123 WeakPolarHBondContact O-CG2 3.44Å; E119-V123 PolarHBondContact O-N 2.97Å; K120-V123 PolarHBondContact O-N 3.42Å; V123-K125 PolarHBondContact O-N 2.73Å; V123-G126 PolarHBondContact O-N 2.73Å; V123-C127 PolarHBondContact N-O 3.4Å
124L96.9Very high97.6Very high139 Ų13960.9 Ų60.973%0.72834%0.34SS*.Hα-helixtrans-61.1-29.5175.4-71.2173.8000112.9K120 E121 C122 G126K120-L124 VanDerWaalsContact O-CG 3.31Å; K120-L124 WeakPolarHBondContact O-CG 3.25Å; K120-L124 PolarHBondContact O-N 3.1Å; E121-L124 PolarHBondContact O-N 3.46Å; C122-L124 VanDerWaalsContact C-N 3.34Å; C122-L124 PolarHBondContact O-N 3.27Å; L124-G126 VanDerWaalsContact C-N 3.34Å
125K94.2Very high97.6Very high125 Ų12559.2 Ų59.254%0.54334%0.335SS..THydrogen-bonded Turntrans-903.8176.2-68.5166.3-175.8156.20113.3E121 C122 V123 C127E121-K125 WeakPolarHBondContact O-CD 3.5Å; E121-K125 WeakPolarHBondContact O-CG 3.3Å; E121-K125 PolarHBondContact O-N 3.35Å; E121-K125 VanDerWaalsContact O-N 3.13Å; E121-K125 IonicContact OE2-NZ 2.73Å; C122-K125 CarbonylContact O-C 3.5Å; C122-K125 WeakPolarHBondContact O-CA 3.07Å; C122-K125 PolarHBondContact O-N 3.23Å; V123-K125 PolarHBondContact O-N 2.73Å; K125-C127 VanDerWaalsContact C-N 3.35Å
126G96.1Very high97.6Very high74 Ų7456.7 Ų56.776%0.76332%0.323SS*.THydrogen-bonded Turntrans71.924.2179.600000114.3C122 V123 L124C122-G126 PolarHBondContact O-N 2.83Å; V123-G126 PolarHBondContact O-N 2.73Å; L124-G126 VanDerWaalsContact C-N 3.34Å
127C94.4Very high97.6Very high39 Ų3953.9 Ų53.926%0.26431%0.307SS..  trans-125.1153.6177.367.10000112C122 V123 K125C122-C127 CarbonylContact C-O 3.51Å; C122-C127 VanDerWaalsContact CB-O 3.26Å; C122-C127 WeakPolarHBondContact CB-O 3.45Å; C122-C127 PolarHBondContact O-N 3.32Å; C122-C127 PolarHBondContact O-SG 3.34Å; V123-C127 PolarHBondContact N-O 3.4Å; K125-C127 VanDerWaalsContact C-N 3.35Å
128P96.4Very high97.6Very high73 Ų7357.6 Ų57.647%0.47432%0.32SS..  trans-71.9166.4174.831.5-35.9000111K73 N130K73-P128 HydrophobicContact CB-CG 4.43Å; K73-P128 HydrophobicContact CD-CG 3.86Å; K73-P128 HydrophobicContact CG-CG 4.44Å; P128-N130 PolarHBondContact O-N 3.31Å; P128-N130 VanDerWaalsContact O-N 3.12Å
129L98.2Very high97.7Very high24 Ų2457.3 Ų57.313%0.12632%0.319CS..  trans-50.7123167.3-179.965.4000109.3E115 W118 E119 R131E115-L129 HydrophobicContact CB-CD1 4.49Å; E115-L129 HydrophobicContact CB-CD2 4.16Å; W118-L129 HydrophobicContact CG-CD1 4.49Å; E119-L129 HydrophobicContact CB-CB 4.34Å; E119-L129 HydrophobicContact CB-CD1 4.12Å; E119-L129 HydrophobicContact CG-CB 4.2Å; L129-R131 WeakPolarHBondContact CD1-O 2.81Å
130N97.9Very high97.7Very high10 Ų1052.8 Ų52.85%0.05330%0.298CS..  trans-122.58.8-167.858.331.9000113.3S69 L70 K73 N74 W118 P128S69-N130 CarbonylContact C-O 3.55Å; S69-N130 WeakPolarHBondContact CA-O 3.45Å; L70-N130 WeakPolarHBondContact CG-O 3.49Å; L70-N130 PolarHBondContact N-O 2.9Å; K73-N130 HydrophobicContact CB-CB 3.79Å; N74-N130 HydrophobicContact CB-CB 4.06Å; W118-N130 PolarHBondContact NE1-OD1 2.89Å; P128-N130 PolarHBondContact O-N 3.31Å; P128-N130 VanDerWaalsContact O-N 3.12Å
131R98.3Very high97.7Very high4 Ų450.3 Ų50.32%0.01529%0.289CS..  trans-150.2140.5179-70.9170.3-179.978.9-8.3109.1A65 N66 S69 I113 L129A65-R131 PolarHBondContact O-NE 2.83Å; N66-R131 PolarHBondContact OD1-NH2 2.67Å; S69-R131 PolarHBondContact OG-NE 3.32Å; S69-R131 PolarHBondContact OG-NH2 3.05Å; I113-R131 HydrophobicContact CD1-CB 3.6Å; I113-R131 HydrophobicContact CD1-CG 4.19Å; L129-R131 WeakPolarHBondContact CD1-O 2.81Å
132H98.6Very high97.8Very high63 Ų6348 Ų4829%0.29228%0.279SS..  trans-116.3146.9170.6-68.2-58.1000110.6E115 S134 V135 A136E115-H132 VanDerWaalsContact OE1-CA 3.23Å; E115-H132 WeakPolarHBondContact OE1-CA 3.11Å; E115-H132 WeakPolarHBondContact OE1-CB 3.46Å; E115-H132 IonicContact OE1-CG 3.87Å; E115-H132 IonicContact OE1-ND1 2.69Å; E115-H132 IonicContact OE2-CE1 3.3Å; E115-H132 IonicContact OE2-ND1 3.47Å; E115-H132 PolarHBondContact OE2-ND1 3.02Å; H132-S134 VanDerWaalsContact C-N 3.25Å; H132-S134 PolarHBondContact O-N 3.34Å; H132-V135 HydrophobicContact CB-CB 4.45Å; H132-V135 HydrophobicContact CB-CG2 4.12Å; H132-V135 PolarHBondContact O-N 2.88Å; H132-A136 PolarHBondContact O-N 3.45Å
133N98.6Very high97.9Very high26 Ų2648 Ų4814%0.13928%0.279CS..Hα-helixtrans-63.4-34.7176.4-169.640.9000111.7P112 I113 E115 V135 A136 G137 W158 Q162P112-N133 VanDerWaalsContact CA-OD1 3.24Å; P112-N133 WeakPolarHBondContact CA-OD1 3.36Å; P112-N133 WeakPolarHBondContact CB-OD1 3.45Å; I113-N133 HydrophobicContact CB-CB 4.32Å; I113-N133 PolarHBondContact N-OD1 2.79Å; I113-N133 WeakPolarHBondContact O-CB 3.43Å; E115-N133 PolarHBondContact OE1-N 2.92Å; N133-V135 VanDerWaalsContact C-N 3.31Å; N133-V135 PolarHBondContact O-N 2.96Å; N133-A136 PolarHBondContact O-N 3.39Å; N133-G137 PolarHBondContact O-N 2.94Å; N133-W158 PolarHBondContact OD1-NE1 3.44Å; N133-W158 VanDerWaalsContact OD1-NE1 3.09Å; N133-Q162 PolarHBondContact ND2-OE1 3.42Å
134S98.5Very high97.9Very high76 Ų7645 Ų4553%0.53126%0.261SS..Hα-helixtrans-61.4-40.3175.358.10000111.9H132 Q138H132-S134 VanDerWaalsContact C-N 3.25Å; H132-S134 PolarHBondContact O-N 3.34Å; S134-Q138 PolarHBondContact O-N 3.23Å
135V98.7Very high98Very high26 Ų2643.3 Ų43.316%0.15825%0.249CC..Hα-helixtrans-70.4-46.6174.9-179.60000109.7A68 L70 H132 N133 G137 Q138 Y139A68-V135 HydrophobicContact CB-CG1 4.26Å; L70-V135 HydrophobicContact CD2-CG2 4.06Å; H132-V135 HydrophobicContact CB-CB 4.45Å; H132-V135 HydrophobicContact CB-CG2 4.12Å; H132-V135 PolarHBondContact O-N 2.88Å; N133-V135 VanDerWaalsContact C-N 3.31Å; N133-V135 PolarHBondContact O-N 2.96Å; V135-G137 PolarHBondContact O-N 3.24Å; V135-Q138 WeakPolarHBondContact O-CB 3.33Å; V135-Q138 PolarHBondContact O-N 3.45Å; V135-Y139 HydrophobicContact CG1-CD2 4.01Å; V135-Y139 HydrophobicContact CG1-CE2 3.66Å; V135-Y139 VanDerWaalsContact O-CD2 3.31Å; V135-Y139 WeakPolarHBondContact O-CD2 3.46Å; V135-Y139 PolarHBondContact O-N 3.38Å
136A98.7Very high98.2Very high0 Ų037.3 Ų37.30%022%0.224CC..Hα-helixtrans-53.7-39.1175.200000112.5I113 H132 N133 Q138 Y139 A140I113-A136 HydrophobicContact CD1-CB 3.79Å; I113-A136 HydrophobicContact CG1-CB 3.99Å; H132-A136 PolarHBondContact O-N 3.45Å; N133-A136 PolarHBondContact O-N 3.39Å; A136-Q138 PolarHBondContact O-N 2.88Å; A136-Y139 PolarHBondContact O-N 3.14Å; A136-A140 PolarHBondContact O-N 3.22Å
137G98.8Very high98.3Very high14 Ų1433.8 Ų33.814%0.14419%0.187CC..Hα-helixtrans-62.1-36.9174.200000113.8N133 V135 A140 Q141 W158N133-G137 PolarHBondContact O-N 2.94Å; V135-G137 PolarHBondContact O-N 3.24Å; G137-A140 PolarHBondContact O-N 3.2Å; G137-Q141 WeakPolarHBondContact O-CB 3.43Å; G137-Q141 PolarHBondContact O-N 3.4Å; G137-W158 VanDerWaalsContact CA-CE2 3.47Å
138Q98.9Very high98.5Very high103 Ų10334.6 Ų34.648%0.48120%0.202SC..Hα-helixtrans-63.9-41.5173.7-63.7171.424.200111.6L81 S134 V135 A136 Q141 A142L81-Q138 HydrophobicContact CD1-CB 4.41Å; L81-Q138 HydrophobicContact CD2-CB 4.14Å; S134-Q138 PolarHBondContact O-N 3.23Å; V135-Q138 WeakPolarHBondContact O-CB 3.33Å; V135-Q138 PolarHBondContact O-N 3.45Å; A136-Q138 PolarHBondContact O-N 2.88Å; Q138-Q141 PolarHBondContact O-N 3.42Å; Q138-A142 WeakPolarHBondContact O-CB 3.21Å; Q138-A142 PolarHBondContact O-N 3.26Å
139Y98.9Very high98.6Very high7 Ų737.3 Ų37.33%0.02721%0.209CC..Hα-helixtrans-71-34176.5-75.1-106.3000112D67 A68 V79 L81 Y84 V135 A136 A142 C143D67-Y139 HydrophobicContact CB-CD1 3.88Å; D67-Y139 HydrophobicContact CB-CE1 3.71Å; D67-Y139 PolarHBondContact O-OH 2.93Å; A68-Y139 HydrophobicContact CB-CD1 4.25Å; A68-Y139 HydrophobicContact CB-CD2 3.54Å; A68-Y139 HydrophobicContact CB-CE2 3.88Å; A68-Y139 HydrophobicContact CB-CG 3.75Å; V79-Y139 VanDerWaalsContact O-CE1 3.3Å; V79-Y139 WeakPolarHBondContact O-CE1 3.34Å; V79-Y139 PolarHBondContact O-OH 3.43Å; L81-Y139 HydrophobicContact CD1-CD1 3.91Å; L81-Y139 HydrophobicContact CD1-CD2 3.69Å; L81-Y139 HydrophobicContact CD1-CE1 4.05Å; L81-Y139 HydrophobicContact CD1-CE2 3.86Å; L81-Y139 HydrophobicContact CD1-CG 3.71Å; Y84-Y139 AromaticContact CD1-CD1 3.52Å; Y84-Y139 HydrophobicContact CD1-CD1 3.52Å; Y84-Y139 HydrophobicContact CD1-CE1 4.2Å; Y84-Y139 HydrophobicContact CD1-CG 4.32Å; Y84-Y139 HydrophobicContact CD2-CD1 4.06Å; Y84-Y139 HydrophobicContact CD2-CE1 4.49Å; Y84-Y139 AromaticContact CE1-CD1 3.93Å; Y84-Y139 HydrophobicContact CE1-CD1 3.93Å; Y84-Y139 HydrophobicContact CE1-CG 4.46Å; Y84-Y139 VanDerWaalsContact CE1-O 3.27Å; Y84-Y139 WeakPolarHBondContact CE1-O 3.11Å; Y84-Y139 HydrophobicContact CE2-CD1 4.43Å; Y84-Y139 AromaticContact CG-CD1 3.57Å; Y84-Y139 HydrophobicContact CG-CD1 3.57Å; Y84-Y139 AromaticContact CG-CE1 3.92Å; Y84-Y139 HydrophobicContact CG-CE1 3.92Å; V135-Y139 HydrophobicContact CG1-CD2 4.01Å; V135-Y139 HydrophobicContact CG1-CE2 3.66Å; V135-Y139 VanDerWaalsContact O-CD2 3.31Å; V135-Y139 WeakPolarHBondContact O-CD2 3.46Å; V135-Y139 PolarHBondContact O-N 3.38Å; A136-Y139 PolarHBondContact O-N 3.14Å; Y139-A142 PolarHBondContact O-N 3.02Å; Y139-C143 WeakPolarHBondContact O-CB 3.38Å; Y139-C143 PolarHBondContact O-N 3.43Å
140A98.9Very high98.6Very high1 Ų137.6 Ų37.61%0.00821%0.212CC..Hα-helixtrans-61.4-49.2171.400000111.2T109 P110 A136 G137 A142 C143 V144 W158T109-A140 HydrophobicContact CG2-CB 4.34Å; P110-A140 HydrophobicContact CG-CB 4.22Å; A136-A140 PolarHBondContact O-N 3.22Å; G137-A140 PolarHBondContact O-N 3.2Å; A140-A142 PolarHBondContact O-N 3.23Å; A140-C143 VanDerWaalsContact O-CB 3.31Å; A140-C143 WeakPolarHBondContact O-CB 3.37Å; A140-C143 PolarHBondContact O-N 2.76Å; A140-C143 VanDerWaalsContact O-N 3.11Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.42Å; A140-W158 HydrophobicContact CB-CB 3.42Å; A140-W158 VanDerWaalsContact CB-CB 3.42Å; A140-W158 HydrophobicContact CB-CD2 4.49Å; A140-W158 HydrophobicContact CB-CG 3.79Å
141Q98.9Very high98.6Very high96 Ų9639.7 Ų39.745%0.44924%0.236SC..Hα-helixtrans-60.7-42.8177.1-175.859.738.400112.4G137 Q138 C143 V144 Q145G137-Q141 WeakPolarHBondContact O-CB 3.43Å; G137-Q141 PolarHBondContact O-N 3.4Å; Q138-Q141 PolarHBondContact O-N 3.42Å; Q141-C143 VanDerWaalsContact C-N 3.29Å; Q141-C143 PolarHBondContact O-N 2.92Å; Q141-V144 PolarHBondContact O-N 3.18Å; Q141-Q145 WeakPolarHBondContact O-CG 3.41Å; Q141-Q145 PolarHBondContact O-N 2.84Å
142A98.9Very high98.6Very high7 Ų739.9 Ų39.96%0.05824%0.238CC..Hα-helixtrans-63.6-35.1175.900000112.3L81 Y84 Q138 Y139 A140 A146L81-A142 HydrophobicContact CD1-CB 3.76Å; L81-A142 HydrophobicContact CG-CB 4.35Å; Y84-A142 HydrophobicContact CD1-CB 4.18Å; Y84-A142 HydrophobicContact CE1-CB 4.25Å; Q138-A142 WeakPolarHBondContact O-CB 3.21Å; Q138-A142 PolarHBondContact O-N 3.26Å; Y139-A142 PolarHBondContact O-N 3.02Å; A140-A142 PolarHBondContact O-N 3.23Å; A142-A146 VanDerWaalsContact O-CB 3.26Å; A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 3.34Å
143C98.9Very high98.6Very high1 Ų140.5 Ų40.51%0.00724%0.243CC..Hα-helixtrans-65.9-46.3174.9-173.10000111.8Y84 L88 T109 Y139 A140 Q141 Q145 A146 A147Y84-C143 HydrophobicContact CE1-CB 4.21Å; Y84-C143 WeakPolarHBondContact OH-CB 3.3Å; L88-C143 HydrophobicContact CD1-CB 3.88Å; T109-C143 HydrophobicContact CG2-CB 4.01Å; Y139-C143 WeakPolarHBondContact O-CB 3.38Å; Y139-C143 PolarHBondContact O-N 3.43Å; A140-C143 VanDerWaalsContact O-CB 3.31Å; A140-C143 WeakPolarHBondContact O-CB 3.37Å; A140-C143 PolarHBondContact O-N 2.76Å; A140-C143 VanDerWaalsContact O-N 3.11Å; Q141-C143 VanDerWaalsContact C-N 3.29Å; Q141-C143 PolarHBondContact O-N 2.92Å; C143-Q145 PolarHBondContact O-N 3.31Å; C143-A146 PolarHBondContact O-N 2.95Å; C143-A147 WeakPolarHBondContact O-CB 3.36Å; C143-A147 PolarHBondContact O-N 3.03Å
144V98.9Very high98.6Very high38 Ų3841.5 Ų41.523%0.2325%0.25CS..Hα-helixtrans-57.5-48.1174.8172.40000111.1T109 A140 Q141 A147 G148 V154 D156T109-V144 HydrophobicContact CG2-CG2 3.74Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.42Å; Q141-V144 PolarHBondContact O-N 3.18Å; V144-A147 PolarHBondContact O-N 3.4Å; V144-G148 PolarHBondContact O-N 2.83Å; V144-V154 HydrophobicContact CG1-CG1 4.3Å; V144-V154 HydrophobicContact CG2-CG1 4.32Å; V144-V154 HydrophobicContact CG2-CG2 4.04Å; V144-D156 HydrophobicContact CG2-CB 4.06Å
145Q98.9Very high98.6Very high102 Ų10238.2 Ų38.248%0.47723%0.227SC..Hα-helixtrans-63.9-44.2179.1-71.6174.6-4.500112.3Q141 C143 G148 Q149Q141-Q145 WeakPolarHBondContact O-CG 3.41Å; Q141-Q145 PolarHBondContact O-N 2.84Å; C143-Q145 PolarHBondContact O-N 3.31Å; Q145-G148 PolarHBondContact O-N 3.31Å; Q145-Q149 VanDerWaalsContact O-CG 3.29Å; Q145-Q149 WeakPolarHBondContact O-CG 3.32Å; Q145-Q149 PolarHBondContact O-N 2.93Å
146A98.7Very high98.6Very high0 Ų038.4 Ų38.40%023%0.227CC..Hα-helixtrans-63.4-44.2178.400000111.6L88 K89 A142 C143 G148 Q149 C150L88-A146 HydrophobicContact CB-CB 4.06Å; L88-A146 HydrophobicContact CD1-CB 4.09Å; K89-A146 HydrophobicContact CG-CB 4.23Å; A142-A146 VanDerWaalsContact O-CB 3.26Å; A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 3.34Å; C143-A146 PolarHBondContact O-N 2.95Å; A146-G148 PolarHBondContact O-N 3.12Å; A146-Q149 PolarHBondContact O-N 3.34Å; A146-C150 PolarHBondContact O-N 3.14Å; A146-C150 PolarHBondContact O-SG 3.49Å; A146-C150 VanDerWaalsContact O-SG 3.35Å
147A98.6Very high98.6Very high0 Ų038.4 Ų38.40%023%0.227CC..Hα-helixtrans-58.6-47.4176.300000111.7F107 C143 V144 Q149 C150 G151 S152 V154F107-A147 HydrophobicContact CB-CB 3.89Å; F107-A147 HydrophobicContact CD2-CB 3.52Å; F107-A147 HydrophobicContact CE2-CB 4.32Å; F107-A147 HydrophobicContact CG-CB 3.89Å; C143-A147 WeakPolarHBondContact O-CB 3.36Å; C143-A147 PolarHBondContact O-N 3.03Å; V144-A147 PolarHBondContact O-N 3.4Å; A147-Q149 PolarHBondContact O-N 3.02Å; A147-C150 CarbonylContact O-C 3.57Å; A147-C150 PolarHBondContact O-N 2.79Å; A147-C150 VanDerWaalsContact O-N 3.08Å; A147-G151 PolarHBondContact O-N 2.83Å; A147-G151 VanDerWaalsContact O-N 3.1Å; A147-S152 CarbonylContact C-O 3.37Å; A147-S152 PolarHBondContact O-N 3Å; A147-V154 HydrophobicContact CB-CB 3.89Å; A147-V154 HydrophobicContact CB-CG2 4.45Å
148G98.4Very high98.5Very high56 Ų5640.9 Ų40.958%0.57723%0.232SC*.Hα-helixtrans-61.2-40.9176.400000113.2V144 Q145 A146 C150 G151V144-G148 PolarHBondContact O-N 2.83Å; Q145-G148 PolarHBondContact O-N 3.31Å; A146-G148 PolarHBondContact O-N 3.12Å; G148-C150 PolarHBondContact O-N 2.79Å; G148-G151 PolarHBondContact O-N 2.68Å
149Q98.4Very high98.5Very high130 Ų13039 Ų3961%0.60723%0.228SC*.Hα-helixtrans-65.7-26.7174.9-72.7173.62.300113.2Q145 A146 A147Q145-Q149 VanDerWaalsContact O-CG 3.29Å; Q145-Q149 WeakPolarHBondContact O-CG 3.32Å; Q145-Q149 PolarHBondContact O-N 2.93Å; A146-Q149 PolarHBondContact O-N 3.34Å; A147-Q149 PolarHBondContact O-N 3.02Å
150C97.9Very high98.5Very high30 Ų3041.1 Ų41.120%0.20324%0.239CC..Hα-helixtrans-86.6-9.4176.3-70.40000113.7S92 A102 A146 A147 G148 S152S92-C150 WeakPolarHBondContact OG-CB 3.22Å; A102-C150 VanDerWaalsContact CB-O 3.26Å; A102-C150 WeakPolarHBondContact CB-O 3.36Å; A146-C150 PolarHBondContact O-N 3.14Å; A146-C150 PolarHBondContact O-SG 3.49Å; A146-C150 VanDerWaalsContact O-SG 3.35Å; A147-C150 CarbonylContact O-C 3.57Å; A147-C150 PolarHBondContact O-N 2.79Å; A147-C150 VanDerWaalsContact O-N 3.08Å; G148-C150 PolarHBondContact O-N 2.79Å; C150-S152 VanDerWaalsContact C-N 3.33Å
151G97.8Very high98.4Very high53 Ų5341.1 Ų41.155%0.54624%0.239SC..THydrogen-bonded Turntrans71.528.2-173.100000113.2A147 G148A147-G151 PolarHBondContact O-N 2.83Å; A147-G151 VanDerWaalsContact O-N 3.1Å; G148-G151 PolarHBondContact O-N 2.68Å
152S98Very high98.3Very high9 Ų938.9 Ų38.96%0.06323%0.229CC..  trans-107.9151.1179-63.80000111.4A102 A147 C150A102-S152 WeakPolarHBondContact O-CA 3.47Å; A102-S152 WeakPolarHBondContact O-CB 3.38Å; A102-S152 PolarHBondContact O-OG 2.87Å; A147-S152 CarbonylContact C-O 3.37Å; A147-S152 PolarHBondContact O-N 3Å; C150-S152 VanDerWaalsContact C-N 3.33Å
153D97.9Very high98.1Very high76 Ų7644 Ų4441%0.40625%0.249SC..EExtended strand (participates in β ladder)trans-71.1155.3173.8-77-17.3000111V105 I106 F107 R197V105-D153 PolarHBondContact O-N 3.11Å; I106-D153 CarbonylContact C-O 3.57Å; I106-D153 WeakPolarHBondContact CA-O 3.29Å; I106-D153 HydrophobicContact CG1-CB 4.43Å; F107-D153 PolarHBondContact N-O 3.29Å; D153-R197 IonicContact OD2-CZ 2.72Å; D153-R197 IonicContact OD2-NH2 2.68Å; D153-R197 PolarHBondContact OD2-NH2 3.42Å
154V98.5Very high97.8Very high46 Ų4650.8 Ų50.828%0.27929%0.286SS..EExtended strand (participates in β ladder)trans-134131176.562.10000111.7F107 T109 V144 A147F107-V154 HydrophobicContact CB-CB 4.41Å; F107-V154 HydrophobicContact CB-CG2 4.18Å; F107-V154 CarbonylContact O-C 3.58Å; F107-V154 VanDerWaalsContact O-CA 3.27Å; F107-V154 WeakPolarHBondContact O-CA 3.26Å; T109-V154 HydrophobicContact CG2-CG2 3.83Å; V144-V154 HydrophobicContact CG1-CG1 4.3Å; V144-V154 HydrophobicContact CG2-CG1 4.32Å; V144-V154 HydrophobicContact CG2-CG2 4.04Å; A147-V154 HydrophobicContact CB-CB 3.89Å; A147-V154 HydrophobicContact CB-CG2 4.45Å
155L98.6Very high97.3Very high7 Ų752.5 Ų52.54%0.03731%0.311CS..EExtended strand (participates in β ladder)trans-93.998.8165.517757.8000108.8F107 I108 T109 L157 L160 H189 L190 L193F107-L155 PolarHBondContact O-N 3.35Å; I108-L155 WeakPolarHBondContact CA-O 3.47Å; I108-L155 HydrophobicContact CG1-CB 4.25Å; I108-L155 HydrophobicContact CG2-CB 4.4Å; I108-L155 HydrophobicContact CG2-CD2 4.31Å; I108-L155 HydrophobicContact CG2-CG 4.4Å; T109-L155 PolarHBondContact N-O 3.44Å; T109-L155 VanDerWaalsContact N-O 3.09Å; L155-L157 HydrophobicContact CD1-CD2 4.13Å; L155-L157 HydrophobicContact CD2-CD2 3.84Å; L155-L157 HydrophobicContact CD2-CG 4.42Å; L155-L157 HydrophobicContact CG-CD2 3.71Å; L155-L157 HydrophobicContact CG-CG 4.14Å; L155-L157 PolarHBondContact O-N 3.09Å; L155-L160 HydrophobicContact CD1-CD1 3.55Å; L155-H189 HydrophobicContact CD1-CB 3.56Å; L155-H189 HydrophobicContact CD2-CB 4.3Å; L155-L190 HydrophobicContact CD2-CB 4.21Å; L155-L193 HydrophobicContact CB-CD1 4.06Å
156D98.7Very high96.8Very high30 Ų3051.4 Ų51.416%0.1631%0.306CS..  trans-82.979.8-178.5-171.88000112.6T109 V144 W158 T159 L160T109-D156 HydrophobicContact CG2-CB 4.12Å; T109-D156 WeakPolarHBondContact CG2-OD1 3.13Å; T109-D156 WeakPolarHBondContact OG1-CA 3.1Å; T109-D156 PolarHBondContact OG1-OD1 3Å; V144-D156 HydrophobicContact CG2-CB 4.06Å; D156-W158 VanDerWaalsContact C-N 3.33Å; D156-W158 PolarHBondContact O-N 3.43Å; D156-W158 PolarHBondContact OD1-N 3.11Å; D156-T159 PolarHBondContact O-N 2.89Å; D156-T159 PolarHBondContact OD1-N 2.85Å; D156-T159 WeakPolarHBondContact OD2-CB 3.34Å; D156-T159 PolarHBondContact OD2-OG1 3.33Å; D156-L160 VanDerWaalsContact O-CB 3.3Å; D156-L160 WeakPolarHBondContact O-CB 3.26Å; D156-L160 WeakPolarHBondContact O-CG 3.26Å; D156-L160 PolarHBondContact O-N 3.43Å
157L98.4Very high96.6Very high0 Ų056.1 Ų56.10%033%0.331CS..Hα-helixtrans-61.5-38179.2-65.1-175.9000113.1F62 I108 T109 L155 T159 L160 M161 F185 V186F62-L157 HydrophobicContact CE1-CD1 4.15Å; F62-L157 HydrophobicContact CE2-CD1 4.23Å; F62-L157 HydrophobicContact CZ-CD1 3.59Å; I108-L157 HydrophobicContact CG2-CD1 3.38Å; I108-L157 HydrophobicContact CG2-CG 3.69Å; T109-L157 PolarHBondContact OG1-N 3.35Å; L155-L157 HydrophobicContact CD1-CD2 4.13Å; L155-L157 HydrophobicContact CD2-CD2 3.84Å; L155-L157 HydrophobicContact CD2-CG 4.42Å; L155-L157 HydrophobicContact CG-CD2 3.71Å; L155-L157 HydrophobicContact CG-CG 4.14Å; L155-L157 PolarHBondContact O-N 3.09Å; L157-T159 VanDerWaalsContact C-N 3.33Å; L157-T159 PolarHBondContact O-N 2.79Å; L157-L160 PolarHBondContact O-N 2.63Å; L157-M161 HydrophobicContact CD2-CE 4.37Å; L157-M161 VanDerWaalsContact O-CB 3.28Å; L157-M161 WeakPolarHBondContact O-CB 3.15Å; L157-M161 VanDerWaalsContact O-CG 3.31Å; L157-M161 WeakPolarHBondContact O-CG 3.4Å; L157-M161 PolarHBondContact O-N 3.14Å; L157-F185 HydrophobicContact CD2-CD1 4.39Å; L157-F185 HydrophobicContact CD2-CE1 4.37Å; L157-V186 HydrophobicContact CD1-CG2 3.64Å; L157-V186 HydrophobicContact CD2-CG2 3.92Å; L157-V186 HydrophobicContact CG-CG2 4.45Å
158W98.4Very high96.5Very high66 Ų6657.8 Ų57.825%0.2534%0.339CS..Hα-helixtrans-56.4-49.9179.2-166.589.7000110.8T109 P110 P112 N133 G137 A140 D156 Q162T109-W158 PolarHBondContact OG1-N 2.87Å; P110-W158 WeakPolarHBondContact O-CB 3.49Å; P112-W158 HydrophobicContact CG-CG 4.42Å; N133-W158 PolarHBondContact OD1-NE1 3.44Å; N133-W158 VanDerWaalsContact OD1-NE1 3.09Å; G137-W158 VanDerWaalsContact CA-CE2 3.47Å; A140-W158 HydrophobicContact CB-CB 3.42Å; A140-W158 VanDerWaalsContact CB-CB 3.42Å; A140-W158 HydrophobicContact CB-CD2 4.49Å; A140-W158 HydrophobicContact CB-CG 3.79Å; D156-W158 VanDerWaalsContact C-N 3.33Å; D156-W158 PolarHBondContact O-N 3.43Å; D156-W158 PolarHBondContact OD1-N 3.11Å; W158-Q162 VanDerWaalsContact CE3-NE2 3.34Å; W158-Q162 VanDerWaalsContact CZ2-NE2 3.26Å; W158-Q162 PolarHBondContact O-NE2 2.85Å
159T98.2Very high96.5Very high64 Ų6457.2 Ų57.239%0.39332%0.324SS..Hα-helixtrans-70.9-48.7177.9-59.30000111.8D156 L157 M161 Q162 K163D156-T159 PolarHBondContact O-N 2.89Å; D156-T159 PolarHBondContact OD1-N 2.85Å; D156-T159 WeakPolarHBondContact OD2-CB 3.34Å; D156-T159 PolarHBondContact OD2-OG1 3.33Å; L157-T159 VanDerWaalsContact C-N 3.33Å; L157-T159 PolarHBondContact O-N 2.79Å; T159-M161 VanDerWaalsContact C-N 3.34Å; T159-M161 PolarHBondContact O-N 2.7Å; T159-Q162 PolarHBondContact O-N 3.47Å; T159-Q162 VanDerWaalsContact O-N 3.16Å; T159-K163 PolarHBondContact O-N 3.33Å
160L98.1Very high96.4Very high52 Ų5252.8 Ų52.827%0.27231%0.309SS..Hα-helixtrans-61.8-38.7-173.5-75.2171.2000113.4L155 D156 L157 Q162 F185L155-L160 HydrophobicContact CD1-CD1 3.55Å; D156-L160 VanDerWaalsContact O-CB 3.3Å; D156-L160 WeakPolarHBondContact O-CB 3.26Å; D156-L160 WeakPolarHBondContact O-CG 3.26Å; D156-L160 PolarHBondContact O-N 3.43Å; L157-L160 PolarHBondContact O-N 2.63Å; L160-Q162 PolarHBondContact O-N 3.47Å; L160-F185 HydrophobicContact CB-CE1 4.06Å; L160-F185 HydrophobicContact CB-CZ 4.05Å
161M98.1Very high96.4Very high0 Ų052.2 Ų52.20%030%0.303CS..Hα-helixtrans-72.2-18-179.3-72.3-177.5168.100113.5P111 P112 L157 T159 Q166 F168 Y171 L178 F185 V186P111-M161 HydrophobicContact CB-SD 3.94Å; P112-M161 HydrophobicContact CG-CB 4.03Å; L157-M161 HydrophobicContact CD2-CE 4.37Å; L157-M161 VanDerWaalsContact O-CB 3.28Å; L157-M161 WeakPolarHBondContact O-CB 3.15Å; L157-M161 VanDerWaalsContact O-CG 3.31Å; L157-M161 WeakPolarHBondContact O-CG 3.4Å; L157-M161 PolarHBondContact O-N 3.14Å; T159-M161 VanDerWaalsContact C-N 3.34Å; T159-M161 PolarHBondContact O-N 2.7Å; M161-Q166 WeakPolarHBondContact O-CB 3.34Å; M161-F168 HydrophobicContact CB-CB 4.06Å; M161-F168 WeakPolarHBondContact O-CB 3.4Å; M161-Y171 HydrophobicContact CB-CD2 3.77Å; M161-Y171 HydrophobicContact CB-CE2 4.04Å; M161-Y171 HydrophobicContact CE-CD2 4.4Å; M161-Y171 HydrophobicContact CE-CG 4.16Å; M161-Y171 HydrophobicContact CG-CD2 3.64Å; M161-Y171 HydrophobicContact CG-CE2 4.05Å; M161-Y171 HydrophobicContact CG-CG 4.31Å; M161-Y171 HydrophobicContact SD-CD2 3.99Å; M161-Y171 HydrophobicContact SD-CG 4.21Å; M161-L178 HydrophobicContact CE-CD2 3.92Å; M161-F185 HydrophobicContact CE-CD1 3.81Å; M161-F185 HydrophobicContact CE-CE1 4.39Å; M161-F185 HydrophobicContact CE-CG 4.38Å; M161-F185 HydrophobicContact CG-CD1 4.19Å; M161-F185 HydrophobicContact CG-CE1 3.9Å; M161-F185 HydrophobicContact CG-CZ 4.31Å; M161-V186 HydrophobicContact CE-CG2 4.32Å
162Q96.2Very high96.4Very high50 Ų5050.3 Ų50.323%0.23428%0.281CS..Hα-helixtrans-107.8-7.5-179.1-64.5177.6101.900112.9P112 N133 W158 T159 L160 G165 F168P112-Q162 HydrophobicContact CB-CG 4.24Å; P112-Q162 HydrophobicContact CG-CG 3.68Å; N133-Q162 PolarHBondContact ND2-OE1 3.42Å; W158-Q162 VanDerWaalsContact CE3-NE2 3.34Å; W158-Q162 VanDerWaalsContact CZ2-NE2 3.26Å; W158-Q162 PolarHBondContact O-NE2 2.85Å; T159-Q162 PolarHBondContact O-N 3.47Å; T159-Q162 VanDerWaalsContact O-N 3.16Å; L160-Q162 PolarHBondContact O-N 3.47Å; Q162-G165 PolarHBondContact O-N 2.85Å; Q162-F168 HydrophobicContact CG-CB 4.16Å; Q162-F168 HydrophobicContact CG-CD1 3.76Å; Q162-F168 HydrophobicContact CG-CE1 4.45Å; Q162-F168 HydrophobicContact CG-CG 4.14Å
163K94.4Very high96.4Very high113 Ų11353.8 Ų53.849%0.49131%0.305SS..G310 helixtrans-59.4143-175.5-168.7-174.9170.2-176.10110.9T159 G165 Q166T159-K163 PolarHBondContact O-N 3.33Å; K163-G165 PolarHBondContact O-N 3.36Å; K163-G165 VanDerWaalsContact O-N 3.08Å; K163-Q166 WeakPolarHBondContact O-CB 3.47Å; K163-Q166 VanDerWaalsContact O-CG 3.3Å; K163-Q166 WeakPolarHBondContact O-CG 3.27Å; K163-Q166 PolarHBondContact O-N 3.16Å; K163-Q166 VanDerWaalsContact O-N 3.08Å
164D92.9Very high96.3Very high144 Ų14451.2 Ų51.277%0.7729%0.291SS*.G310 helixtrans55.726.7176-52-37.7000114.1Q166D164-Q166 VanDerWaalsContact C-N 3.34Å
165G87.3Confident96.3Very high75 Ų7549.1 Ų49.177%0.77328%0.279SS*.G310 helixtrans75.520.2179.300000114.2Q162 K163 D167Q162-G165 PolarHBondContact O-N 2.85Å; K163-G165 PolarHBondContact O-N 3.36Å; K163-G165 VanDerWaalsContact O-N 3.08Å; G165-D167 PolarHBondContact O-N 2.89Å
166Q89.3Confident96.2Very high79 Ų7949.1 Ų49.137%0.36928%0.279SS..  trans-55.5135.3173.2-78.2-173.625.300111.5M161 K163 D164 F168 Y171M161-Q166 WeakPolarHBondContact O-CB 3.34Å; K163-Q166 WeakPolarHBondContact O-CB 3.47Å; K163-Q166 VanDerWaalsContact O-CG 3.3Å; K163-Q166 WeakPolarHBondContact O-CG 3.27Å; K163-Q166 PolarHBondContact O-N 3.16Å; K163-Q166 VanDerWaalsContact O-N 3.08Å; D164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-F168 PolarHBondContact O-N 3.43Å; Q166-Y171 PolarHBondContact OE1-OH 3.3Å
167D94Very high96.1Very high98 Ų9850.6 Ų50.652%0.52429%0.285SS..  trans-72.594.1169.7177.215.2000109.8G165 T169G165-D167 PolarHBondContact O-N 2.89Å; D167-T169 VanDerWaalsContact CG-OG1 3.29Å; D167-T169 PolarHBondContact O-N 3.35Å; D167-T169 VanDerWaalsContact OD1-CB 3.29Å; D167-T169 WeakPolarHBondContact OD1-CB 3.3Å; D167-T169 WeakPolarHBondContact OD1-CG2 3.49Å; D167-T169 PolarHBondContact OD1-N 3.41Å; D167-T169 PolarHBondContact OD1-OG1 3.01Å; D167-T169 PolarHBondContact OD2-OG1 3.05Å
168F97.1Very high96Very high36 Ų3651.6 Ų51.616%0.15829%0.29CS..G310 helixtrans-67.1-17.8179.672.2-96.1000113P112 H114 M161 Q162 Q166 A170 Y171 L172P112-F168 HydrophobicContact CB-CD2 3.63Å; P112-F168 HydrophobicContact CB-CE2 3.83Å; P112-F168 HydrophobicContact CB-CG 4Å; P112-F168 HydrophobicContact CB-CZ 4.36Å; P112-F168 HydrophobicContact CG-CB 4.28Å; P112-F168 HydrophobicContact CG-CD2 4.25Å; P112-F168 HydrophobicContact CG-CG 4.24Å; H114-F168 HydrophobicContact CB-CE2 3.94Å; M161-F168 HydrophobicContact CB-CB 4.06Å; M161-F168 WeakPolarHBondContact O-CB 3.4Å; Q162-F168 HydrophobicContact CG-CB 4.16Å; Q162-F168 HydrophobicContact CG-CD1 3.76Å; Q162-F168 HydrophobicContact CG-CE1 4.45Å; Q162-F168 HydrophobicContact CG-CG 4.14Å; Q166-F168 PolarHBondContact O-N 3.43Å; F168-A170 PolarHBondContact O-N 3.21Å; F168-Y171 HydrophobicContact CB-CD2 4.28Å; F168-Y171 WeakPolarHBondContact O-CB 3.27Å; F168-Y171 PolarHBondContact O-N 2.77Å; F168-L172 HydrophobicContact CD2-CD1 3.91Å; F168-L172 HydrophobicContact CE2-CD1 4.1Å
169T97.7Very high95.9Very high43 Ų4349.4 Ų49.426%0.26429%0.285SS..G310 helixtrans-64.4-31.4-175.6720000111.5H114 D167 Y171 L172H114-T169 HydrophobicContact CB-CG2 4.17Å; H114-T169 VanDerWaalsContact CD2-CG2 3.45Å; H114-T169 WeakPolarHBondContact CD2-CG2 3.49Å; D167-T169 VanDerWaalsContact CG-OG1 3.29Å; D167-T169 PolarHBondContact O-N 3.35Å; D167-T169 VanDerWaalsContact OD1-CB 3.29Å; D167-T169 WeakPolarHBondContact OD1-CB 3.3Å; D167-T169 WeakPolarHBondContact OD1-CG2 3.49Å; D167-T169 PolarHBondContact OD1-N 3.41Å; D167-T169 PolarHBondContact OD1-OG1 3.01Å; D167-T169 PolarHBondContact OD2-OG1 3.05Å; T169-Y171 PolarHBondContact O-N 3.39Å; T169-L172 PolarHBondContact O-N 3.33Å; T169-L172 VanDerWaalsContact O-O 3.08Å
170A97.3Very high95.9Very high37 Ų3751.4 Ų51.431%0.30629%0.289SS..G310 helixtrans-63.4-20.7174.600000113.5F168 L172 S179 K181F168-A170 PolarHBondContact O-N 3.21Å; A170-L172 VanDerWaalsContact C-N 3.29Å; A170-S179 PolarHBondContact O-OG 3.19Å; A170-K181 HydrophobicContact CB-CD 4.07Å
171Y97.8Very high95.8Very high18 Ų1854.1 Ų54.17%0.07130%0.299CS..G310 helixtrans-83.5-3.9175.7-56.5-53.7000113.2M161 Q166 F168 T169 L178 S179 K181 G182 F185M161-Y171 HydrophobicContact CB-CD2 3.77Å; M161-Y171 HydrophobicContact CB-CE2 4.04Å; M161-Y171 HydrophobicContact CE-CD2 4.4Å; M161-Y171 HydrophobicContact CE-CG 4.16Å; M161-Y171 HydrophobicContact CG-CD2 3.64Å; M161-Y171 HydrophobicContact CG-CE2 4.05Å; M161-Y171 HydrophobicContact CG-CG 4.31Å; M161-Y171 HydrophobicContact SD-CD2 3.99Å; M161-Y171 HydrophobicContact SD-CG 4.21Å; Q166-Y171 PolarHBondContact OE1-OH 3.3Å; F168-Y171 HydrophobicContact CB-CD2 4.28Å; F168-Y171 WeakPolarHBondContact O-CB 3.27Å; F168-Y171 PolarHBondContact O-N 2.77Å; T169-Y171 PolarHBondContact O-N 3.39Å; Y171-L178 CarbonylContact O-C 3.51Å; Y171-L178 WeakPolarHBondContact O-CA 3.37Å; Y171-S179 WeakPolarHBondContact CA-OG 3.29Å; Y171-S179 PolarHBondContact O-N 3.1Å; Y171-S179 PolarHBondContact O-OG 2.99Å; Y171-K181 HydrophobicContact CD1-CB 4.44Å; Y171-K181 HydrophobicContact CD1-CD 4.17Å; Y171-K181 HydrophobicContact CD1-CG 3.89Å; Y171-K181 HydrophobicContact CE1-CD 4.03Å; Y171-K181 HydrophobicContact CE1-CG 3.9Å; Y171-G182 WeakPolarHBondContact O-CA 3.41Å; Y171-F185 HydrophobicContact CD1-CB 4.1Å; Y171-F185 HydrophobicContact CD1-CD2 4.34Å; Y171-F185 HydrophobicContact CD1-CG 4.36Å; Y171-F185 HydrophobicContact CE1-CB 4.02Å; Y171-F185 AromaticContact CE1-CD2 3.56Å; Y171-F185 HydrophobicContact CE1-CD2 3.56Å; Y171-F185 HydrophobicContact CE1-CE2 4.29Å; Y171-F185 HydrophobicContact CE1-CG 4.01Å; Y171-F185 HydrophobicContact CE2-CD2 4.32Å; Y171-F185 HydrophobicContact CE2-CE2 4.32Å; Y171-F185 AromaticContact CZ-CD2 3.56Å; Y171-F185 AromaticContact CZ-CE2 3.81Å
172L97.9Very high95.8Very high14 Ų1454.1 Ų54.17%0.07330%0.299CS..BIsolated β-bridgetrans-120136.9-175.8-53.7172.8000110P111 P112 H114 F168 T169 A170 H177P111-L172 HydrophobicContact CB-CD2 4.49Å; P112-L172 VanDerWaalsContact O-CD1 3.31Å; P112-L172 WeakPolarHBondContact O-CD1 3.43Å; H114-L172 HydrophobicContact CB-CD1 4.02Å; F168-L172 HydrophobicContact CD2-CD1 3.91Å; F168-L172 HydrophobicContact CE2-CD1 4.1Å; T169-L172 PolarHBondContact O-N 3.33Å; T169-L172 VanDerWaalsContact O-O 3.08Å; A170-L172 VanDerWaalsContact C-N 3.29Å; L172-H177 CarbonylContact C-O 3.59Å; L172-H177 WeakPolarHBondContact CA-O 3.42Å
173S96.6Very high95.8Very high81 Ų8152 Ų5257%0.56629%0.289SS*.SBendtrans-84.1-38.9178.645.80000112.1H177 L178S173-H177 PolarHBondContact N-O 3.27Å; S173-H177 PolarHBondContact OG-O 3.22Å; S173-L178 PolarHBondContact OG-O 3.41Å
174D96.6Very high96Very high23 Ų2351.5 Ų51.512%0.12329%0.289CS..SBendtrans-131.813.3-172.772-8.1000112.4A117 W118 E121 L176 H177A117-D174 CarbonylContact C-O 3.14Å; A117-D174 VanDerWaalsContact C-O 3.31Å; W118-D174 WeakPolarHBondContact CA-O 3.26Å; W118-D174 PolarHBondContact N-O 3.35Å; E121-D174 HydrophobicContact CG-CB 3.75Å; D174-L176 PolarHBondContact OD1-N 3.37Å; D174-H177 IonicContact OD1-CG 3.61Å; D174-H177 PolarHBondContact OD1-N 2.99Å; D174-H177 IonicContact OD1-ND1 3.95Å; D174-H177 PolarHBondContact OD1-ND1 3.2Å; D174-H177 IonicContact OD2-CE1 2.83Å; D174-H177 IonicContact OD2-CG 2.74Å; D174-H177 IonicContact OD2-ND1 2.63Å; D174-H177 PolarHBondContact OD2-ND1 3.08Å
175G97.7Very high96.2Very high2 Ų245.5 Ų45.52%0.02126%0.256CS..SBendtrans86.5-3.1-175.100000115.6I113 H114I113-G175 WeakPolarHBondContact CA-O 3.22Å; H114-G175 PolarHBondContact N-O 3.01Å
176L97.1Very high96.7Very high7 Ų742 Ų424%0.03722%0.219CC..SBendtrans-133.6-46175.1179.865.7000113.3A65 I113 W118 D174A65-L176 HydrophobicContact CB-CD1 4.37Å; I113-L176 HydrophobicContact CD1-CD1 4.06Å; I113-L176 HydrophobicContact CG1-CD1 4.13Å; W118-L176 HydrophobicContact CD2-CB 3.81Å; W118-L176 HydrophobicContact CD2-CD2 4.16Å; W118-L176 HydrophobicContact CE3-CB 3.51Å; W118-L176 HydrophobicContact CE3-CD2 4.13Å; W118-L176 HydrophobicContact CE3-CG 4.46Å; W118-L176 HydrophobicContact CG-CB 4.41Å; W118-L176 HydrophobicContact CH2-CB 4.38Å; W118-L176 HydrophobicContact CH2-CD2 3.48Å; W118-L176 VanDerWaalsContact CH2-CD2 3.48Å; W118-L176 HydrophobicContact CZ2-CD2 3.5Å; W118-L176 HydrophobicContact CZ3-CB 3.82Å; W118-L176 HydrophobicContact CZ3-CD2 3.81Å; W118-L176 HydrophobicContact CZ3-CG 4.45Å; D174-L176 PolarHBondContact OD1-N 3.37Å
177H96.1Very high97.1Very high61 Ų6138.4 Ų38.428%0.28220%0.203SC..SBendtrans-83.1147.3179.8-62.399.6000110.8L172 S173 D174 S179L172-H177 CarbonylContact C-O 3.59Å; L172-H177 WeakPolarHBondContact CA-O 3.42Å; S173-H177 PolarHBondContact N-O 3.27Å; S173-H177 PolarHBondContact OG-O 3.22Å; D174-H177 IonicContact OD1-CG 3.61Å; D174-H177 PolarHBondContact OD1-N 2.99Å; D174-H177 IonicContact OD1-ND1 3.95Å; D174-H177 PolarHBondContact OD1-ND1 3.2Å; D174-H177 IonicContact OD2-CE1 2.83Å; D174-H177 IonicContact OD2-CG 2.74Å; D174-H177 IonicContact OD2-ND1 2.63Å; D174-H177 PolarHBondContact OD2-ND1 3.08Å; H177-S179 PolarHBondContact O-N 3.12Å
178L97.4Very high97.2Very high21 Ų2140.4 Ų40.411%0.1121%0.209CC..BIsolated β-bridgetrans-64135.5178.6-63.3174.6000110.4M161 Y171 S173 N183 V186M161-L178 HydrophobicContact CE-CD2 3.92Å; Y171-L178 CarbonylContact O-C 3.51Å; Y171-L178 WeakPolarHBondContact O-CA 3.37Å; S173-L178 PolarHBondContact OG-O 3.41Å; L178-N183 WeakPolarHBondContact CB-ND2 3.39Å; L178-V186 HydrophobicContact CD1-CG2 3.79Å; L178-V186 HydrophobicContact CD2-CG2 4.49Å
179S96.9Very high97.3Very high20 Ų2040.9 Ų40.914%0.1421%0.212CC..  trans-72.1176.7162.870.80000110.2A170 Y171 H177 K181 G182 N183A170-S179 PolarHBondContact O-OG 3.19Å; Y171-S179 WeakPolarHBondContact CA-OG 3.29Å; Y171-S179 PolarHBondContact O-N 3.1Å; Y171-S179 PolarHBondContact O-OG 2.99Å; H177-S179 PolarHBondContact O-N 3.12Å; S179-K181 VanDerWaalsContact C-N 3.32Å; S179-K181 PolarHBondContact O-N 3.13Å; S179-K181 PolarHBondContact OG-N 3.28Å; S179-G182 PolarHBondContact O-N 3.31Å; S179-G182 PolarHBondContact OG-N 3.26Å; S179-N183 PolarHBondContact O-N 2.62Å; S179-N183 PolarHBondContact O-ND2 2.9Å
180E96.3Very high97.3Very high105 Ų10538.9 Ų38.949%0.49120%0.2SC..Hα-helixtrans-55-47.8169177.8171.7-174.900111.8N9 G182 N183 Q184N9-E180 HydrophobicContact CB-CG 3.86Å; N9-E180 PolarHBondContact ND2-OE1 3.4Å; E180-G182 VanDerWaalsContact C-N 3.29Å; E180-G182 PolarHBondContact O-N 3.01Å; E180-N183 WeakPolarHBondContact O-CB 3.33Å; E180-N183 PolarHBondContact O-N 2.76Å; E180-N183 VanDerWaalsContact O-N 3.12Å; E180-Q184 WeakPolarHBondContact O-CG 3.26Å; E180-Q184 PolarHBondContact O-N 3.43Å
181K96.7Very high97.3Very high109 Ų10939 Ų3947%0.47419%0.193SC..Hα-helixtrans-60.1-39.6176.1-170.9-177.3178.2-176.90111.7A170 Y171 S179 Q184 F185A170-K181 HydrophobicContact CB-CD 4.07Å; Y171-K181 HydrophobicContact CD1-CB 4.44Å; Y171-K181 HydrophobicContact CD1-CD 4.17Å; Y171-K181 HydrophobicContact CD1-CG 3.89Å; Y171-K181 HydrophobicContact CE1-CD 4.03Å; Y171-K181 HydrophobicContact CE1-CG 3.9Å; S179-K181 VanDerWaalsContact C-N 3.32Å; S179-K181 PolarHBondContact O-N 3.13Å; S179-K181 PolarHBondContact OG-N 3.28Å; K181-Q184 PolarHBondContact O-N 3.2Å; K181-F185 WeakPolarHBondContact O-CB 3.41Å; K181-F185 PolarHBondContact O-N 2.91Å
182G97.6Very high97.3Very high0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-64.1-40.1174.800000113Y171 S179 E180 F185 V186Y171-G182 WeakPolarHBondContact O-CA 3.41Å; S179-G182 PolarHBondContact O-N 3.31Å; S179-G182 PolarHBondContact OG-N 3.26Å; E180-G182 VanDerWaalsContact C-N 3.29Å; E180-G182 PolarHBondContact O-N 3.01Å; G182-F185 PolarHBondContact O-N 2.94Å; G182-V186 WeakPolarHBondContact O-CG2 3.42Å; G182-V186 PolarHBondContact O-N 3.39Å
183N97.9Very high97.2Very high5 Ų543.3 Ų43.33%0.02722%0.223CC..Hα-helixtrans-64.4-45.2174.4-80.4-82.9000111.6Q7 N9 W11 L178 S179 E180 F185 V186 A187Q7-N183 PolarHBondContact NE2-ND2 2.95Å; N9-N183 WeakPolarHBondContact O-CB 3.39Å; W11-N183 WeakPolarHBondContact CB-O 3.31Å; W11-N183 VanDerWaalsContact CD1-OD1 3.3Å; W11-N183 PolarHBondContact N-OD1 3.44Å; L178-N183 WeakPolarHBondContact CB-ND2 3.39Å; S179-N183 PolarHBondContact O-N 2.62Å; S179-N183 PolarHBondContact O-ND2 2.9Å; E180-N183 WeakPolarHBondContact O-CB 3.33Å; E180-N183 PolarHBondContact O-N 2.76Å; E180-N183 VanDerWaalsContact O-N 3.12Å; N183-F185 VanDerWaalsContact C-N 3.32Å; N183-F185 PolarHBondContact O-N 3.43Å; N183-V186 PolarHBondContact O-N 2.81Å; N183-A187 PolarHBondContact O-N 3.38Å
184Q96.9Very high97.2Very high104 Ų10439.9 Ų39.949%0.48620%0.198SC..Hα-helixtrans-60.8-42.1175.8-69.7172.9-5.200111.8E180 K181 V186 A187 Q188E180-Q184 WeakPolarHBondContact O-CG 3.26Å; E180-Q184 PolarHBondContact O-N 3.43Å; K181-Q184 PolarHBondContact O-N 3.2Å; Q184-V186 PolarHBondContact O-N 3.44Å; Q184-A187 PolarHBondContact O-N 3.43Å; Q184-Q188 PolarHBondContact O-N 3.06Å
185F97.3Very high97.1Very high18 Ų1843.8 Ų43.88%0.07922%0.216CC..Hα-helixtrans-58.2-46.9175.7-171.9-82.6000111.6L157 L160 M161 Y171 K181 G182 N183 H189L157-F185 HydrophobicContact CD2-CD1 4.39Å; L157-F185 HydrophobicContact CD2-CE1 4.37Å; L160-F185 HydrophobicContact CB-CE1 4.06Å; L160-F185 HydrophobicContact CB-CZ 4.05Å; M161-F185 HydrophobicContact CE-CD1 3.81Å; M161-F185 HydrophobicContact CE-CE1 4.39Å; M161-F185 HydrophobicContact CE-CG 4.38Å; M161-F185 HydrophobicContact CG-CD1 4.19Å; M161-F185 HydrophobicContact CG-CE1 3.9Å; M161-F185 HydrophobicContact CG-CZ 4.31Å; Y171-F185 HydrophobicContact CD1-CB 4.1Å; Y171-F185 HydrophobicContact CD1-CD2 4.34Å; Y171-F185 HydrophobicContact CD1-CG 4.36Å; Y171-F185 HydrophobicContact CE1-CB 4.02Å; Y171-F185 AromaticContact CE1-CD2 3.56Å; Y171-F185 HydrophobicContact CE1-CD2 3.56Å; Y171-F185 HydrophobicContact CE1-CE2 4.29Å; Y171-F185 HydrophobicContact CE1-CG 4.01Å; Y171-F185 HydrophobicContact CE2-CD2 4.32Å; Y171-F185 HydrophobicContact CE2-CE2 4.32Å; Y171-F185 AromaticContact CZ-CD2 3.56Å; Y171-F185 AromaticContact CZ-CE2 3.81Å; K181-F185 WeakPolarHBondContact O-CB 3.41Å; K181-F185 PolarHBondContact O-N 2.91Å; G182-F185 PolarHBondContact O-N 2.94Å; N183-F185 VanDerWaalsContact C-N 3.32Å; N183-F185 PolarHBondContact O-N 3.43Å; F185-H189 AromaticContact CD1-CE1 3.91Å; F185-H189 AromaticContact CD1-ND1 3.63Å; F185-H189 AromaticContact CD2-CE1 3.79Å; F185-H189 AromaticContact CE1-CE1 3.52Å; F185-H189 AromaticContact CE1-ND1 3.54Å; F185-H189 AromaticContact CE2-CE1 3.41Å; F185-H189 VanDerWaalsContact CE2-CE1 3.41Å; F185-H189 WeakPolarHBondContact CE2-CE1 3.31Å; F185-H189 AromaticContact CG-ND1 3.94Å; F185-H189 AromaticContact CZ-CE1 3.26Å; F185-H189 WeakPolarHBondContact CZ-CE1 3.28Å; F185-H189 AromaticContact CZ-ND1 3.8Å; F185-H189 AromaticContact CZ-NE2 3.76Å; F185-H189 PolarHBondContact O-N 3.19Å; F185-H189 PolarHBondContact O-ND1 3.2Å
186V98.1Very high96.8Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-62.7-45.8175.9173.70000111W11 L157 M161 L178 G182 N183 Q184 Q188 H189 L190W11-V186 HydrophobicContact CB-CB 4.07Å; W11-V186 HydrophobicContact CB-CG1 3.91Å; W11-V186 HydrophobicContact CD2-CG1 3.9Å; W11-V186 HydrophobicContact CE3-CG1 4.36Å; W11-V186 HydrophobicContact CG-CB 4.2Å; W11-V186 HydrophobicContact CG-CG1 3.69Å; L157-V186 HydrophobicContact CD1-CG2 3.64Å; L157-V186 HydrophobicContact CD2-CG2 3.92Å; L157-V186 HydrophobicContact CG-CG2 4.45Å; M161-V186 HydrophobicContact CE-CG2 4.32Å; L178-V186 HydrophobicContact CD1-CG2 3.79Å; L178-V186 HydrophobicContact CD2-CG2 4.49Å; G182-V186 WeakPolarHBondContact O-CG2 3.42Å; G182-V186 PolarHBondContact O-N 3.39Å; N183-V186 PolarHBondContact O-N 2.81Å; Q184-V186 PolarHBondContact O-N 3.44Å; V186-Q188 VanDerWaalsContact C-N 3.33Å; V186-Q188 PolarHBondContact O-N 2.94Å; V186-H189 PolarHBondContact O-N 3.21Å; V186-L190 WeakPolarHBondContact O-CB 3.45Å; V186-L190 PolarHBondContact O-N 2.93Å
187A97.6Very high96.5Very high5 Ų549.7 Ų49.74%0.04125%0.251CS..Hα-helixtrans-58.8-45-179.400000112W11 E14 N183 Q184 W191W11-A187 HydrophobicContact CB-CB 3.96Å; E14-A187 HydrophobicContact CB-CB 4Å; E14-A187 HydrophobicContact CG-CB 3.78Å; N183-A187 PolarHBondContact O-N 3.38Å; Q184-A187 PolarHBondContact O-N 3.43Å; A187-W191 VanDerWaalsContact O-CB 3.3Å; A187-W191 WeakPolarHBondContact O-CB 3.45Å; A187-W191 PolarHBondContact O-N 3.31Å
188Q97.6Very high96.4Very high139 Ų13947 Ų4765%0.6524%0.239SC*.Hα-helixtrans-62.6-50.6179.4-177.7-1781.200112.1Q184 V186 W191 S192Q184-Q188 PolarHBondContact O-N 3.06Å; V186-Q188 VanDerWaalsContact C-N 3.33Å; V186-Q188 PolarHBondContact O-N 2.94Å; Q188-W191 WeakPolarHBondContact O-CB 3.24Å; Q188-W191 PolarHBondContact O-N 2.86Å; Q188-S192 PolarHBondContact O-N 3.35Å
189H98.2Very high96.1Very high47 Ų4749.2 Ų49.222%0.21826%0.26CS..Hα-helixtrans-75.1-29.4-177.1-67.981.6000112.8L155 F185 V186 W191 S192L155-H189 HydrophobicContact CD1-CB 3.56Å; L155-H189 HydrophobicContact CD2-CB 4.3Å; F185-H189 AromaticContact CD1-CE1 3.91Å; F185-H189 AromaticContact CD1-ND1 3.63Å; F185-H189 AromaticContact CD2-CE1 3.79Å; F185-H189 AromaticContact CE1-CE1 3.52Å; F185-H189 AromaticContact CE1-ND1 3.54Å; F185-H189 AromaticContact CE2-CE1 3.41Å; F185-H189 VanDerWaalsContact CE2-CE1 3.41Å; F185-H189 WeakPolarHBondContact CE2-CE1 3.31Å; F185-H189 AromaticContact CG-ND1 3.94Å; F185-H189 AromaticContact CZ-CE1 3.26Å; F185-H189 WeakPolarHBondContact CZ-CE1 3.28Å; F185-H189 AromaticContact CZ-ND1 3.8Å; F185-H189 AromaticContact CZ-NE2 3.76Å; F185-H189 PolarHBondContact O-N 3.19Å; F185-H189 PolarHBondContact O-ND1 3.2Å; V186-H189 PolarHBondContact O-N 3.21Å; H189-W191 VanDerWaalsContact C-N 3.35Å; H189-S192 PolarHBondContact O-OG 3.22Å
190L97.9Very high95.8Very high1 Ų155 Ų551%0.00529%0.285CS..Hα-helixtrans-67.9-39.8171-178.662000110.4W11 T60 I106 L155 V186 S192 L193 L194W11-L190 HydrophobicContact CE3-CD2 3.58Å; W11-L190 HydrophobicContact CZ3-CD2 3.5Å; W11-L190 VanDerWaalsContact CZ3-CD2 3.5Å; T60-L190 HydrophobicContact CG2-CD1 3.84Å; T60-L190 HydrophobicContact CG2-CD2 4.13Å; I106-L190 HydrophobicContact CD1-CD1 4Å; I106-L190 HydrophobicContact CG2-CD1 4.27Å; L155-L190 HydrophobicContact CD2-CB 4.21Å; V186-L190 WeakPolarHBondContact O-CB 3.45Å; V186-L190 PolarHBondContact O-N 2.93Å; L190-S192 VanDerWaalsContact C-N 3.29Å; L190-S192 PolarHBondContact O-N 3.47Å; L190-L193 PolarHBondContact O-N 2.81Å; L190-L194 HydrophobicContact CD1-CD1 4.23Å; L190-L194 HydrophobicContact CD1-CG 4.24Å; L190-L194 HydrophobicContact CD2-CD1 4.11Å; L190-L194 HydrophobicContact CG-CD1 3.73Å; L190-L194 HydrophobicContact CG-CG 4.17Å; L190-L194 WeakPolarHBondContact O-CG 3.36Å; L190-L194 PolarHBondContact O-N 3.5Å; L190-L194 VanDerWaalsContact O-N 3.08Å
191W97.6Very high95.6Very high40 Ų4051.3 Ų51.315%0.15227%0.268CS..Hα-helixtrans-59.2-38.9178.2-170.8-104.7000112.3K18 L19 A187 Q188 H189 L193 L194 E195 V198K18-W191 HydrophobicContact CB-CE3 4.11Å; K18-W191 HydrophobicContact CB-CH2 3.66Å; K18-W191 HydrophobicContact CB-CZ2 4.27Å; K18-W191 HydrophobicContact CB-CZ3 3.57Å; K18-W191 HydrophobicContact CD-CD2 3.65Å; K18-W191 HydrophobicContact CD-CE3 3.58Å; K18-W191 HydrophobicContact CD-CG 4.15Å; K18-W191 HydrophobicContact CD-CH2 4.35Å; K18-W191 HydrophobicContact CD-CZ2 4.42Å; K18-W191 HydrophobicContact CD-CZ3 3.95Å; K18-W191 HydrophobicContact CG-CE3 4.5Å; K18-W191 HydrophobicContact CG-CZ3 4.4Å; L19-W191 HydrophobicContact CD2-CH2 4.09Å; L19-W191 HydrophobicContact CD2-CZ3 4.15Å; L19-W191 HydrophobicContact CG-CH2 4.43Å; L19-W191 HydrophobicContact CG-CZ3 4.11Å; A187-W191 VanDerWaalsContact O-CB 3.3Å; A187-W191 WeakPolarHBondContact O-CB 3.45Å; A187-W191 PolarHBondContact O-N 3.31Å; Q188-W191 WeakPolarHBondContact O-CB 3.24Å; Q188-W191 PolarHBondContact O-N 2.86Å; H189-W191 VanDerWaalsContact C-N 3.35Å; W191-L193 PolarHBondContact O-N 2.73Å; W191-L193 VanDerWaalsContact O-N 3.14Å; W191-L194 HydrophobicContact CE3-CB 4.42Å; W191-L194 PolarHBondContact O-N 2.95Å; W191-E195 HydrophobicContact CZ2-CG 4.47Å; W191-E195 PolarHBondContact NE1-OE1 3Å; W191-E195 WeakPolarHBondContact O-CB 3.31Å; W191-E195 PolarHBondContact O-N 2.97Å; W191-V198 HydrophobicContact CH2-CG2 4.08Å; W191-V198 HydrophobicContact CZ3-CG2 4.44Å
192S97.1Very high95.2Very high81 Ų8150.9 Ų50.957%0.56628%0.276SS*.Hα-helixtrans-62.7-20.8176.857.90000114.1Q188 H189 L190Q188-S192 PolarHBondContact O-N 3.35Å; H189-S192 PolarHBondContact O-OG 3.22Å; L190-S192 VanDerWaalsContact C-N 3.29Å; L190-S192 PolarHBondContact O-N 3.47Å
193L96.4Very high94.8Very high40 Ų4056.4 Ų56.421%0.20930%0.301CS..Hα-helixtrans-90.7-26.6173.4-60.2175000112.5I106 L155 L190 W191 R197I106-L193 HydrophobicContact CD1-CB 3.81Å; I106-L193 HydrophobicContact CD1-CD1 4.45Å; I106-L193 HydrophobicContact CG2-CD1 3.74Å; L155-L193 HydrophobicContact CB-CD1 4.06Å; L190-L193 PolarHBondContact O-N 2.81Å; W191-L193 PolarHBondContact O-N 2.73Å; W191-L193 VanDerWaalsContact O-N 3.14Å; L193-R197 VanDerWaalsContact O-CD 3.26Å; L193-R197 WeakPolarHBondContact O-CD 3.35Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-NE 3.34Å
194L96.4Very high94.3Very high10 Ų1060.4 Ų60.45%0.05232%0.321CS..Hα-helixtrans-89.9-31.8-176.5-70.2178.5000113.6T15 A58 I106 L190 W191 S196 R197 V198T15-L194 HydrophobicContact CG2-CD1 3.89Å; A58-L194 HydrophobicContact CB-CD2 3.42Å; A58-L194 VanDerWaalsContact CB-CD2 3.42Å; I106-L194 HydrophobicContact CD1-CD2 3.72Å; I106-L194 HydrophobicContact CD1-CG 4.26Å; L190-L194 HydrophobicContact CD1-CD1 4.23Å; L190-L194 HydrophobicContact CD1-CG 4.24Å; L190-L194 HydrophobicContact CD2-CD1 4.11Å; L190-L194 HydrophobicContact CG-CD1 3.73Å; L190-L194 HydrophobicContact CG-CG 4.17Å; L190-L194 WeakPolarHBondContact O-CG 3.36Å; L190-L194 PolarHBondContact O-N 3.5Å; L190-L194 VanDerWaalsContact O-N 3.08Å; W191-L194 HydrophobicContact CE3-CB 4.42Å; W191-L194 PolarHBondContact O-N 2.95Å; L194-S196 PolarHBondContact O-N 2.99Å; L194-R197 WeakPolarHBondContact O-CA 3.3Å; L194-R197 WeakPolarHBondContact O-CB 3.22Å; L194-R197 PolarHBondContact O-N 3.41Å; L194-V198 WeakPolarHBondContact O-CG2 3.33Å; L194-V198 PolarHBondContact O-N 3.06Å
195E94.6Very high93.8Very high105 Ų10559.7 Ų59.749%0.49132%0.32SS..Hα-helixtrans-55-50.2-167.4-178.2164.5-119.400112.7W191 R197 V198 A199W191-E195 HydrophobicContact CZ2-CG 4.47Å; W191-E195 PolarHBondContact NE1-OE1 3Å; W191-E195 WeakPolarHBondContact O-CB 3.31Å; W191-E195 PolarHBondContact O-N 2.97Å; E195-R197 VanDerWaalsContact C-N 3.28Å; E195-R197 PolarHBondContact O-N 3.45Å; E195-V198 PolarHBondContact O-N 3.46Å; E195-A199 WeakPolarHBondContact O-CA 3.49Å; E195-A199 VanDerWaalsContact O-CB 3.23Å; E195-A199 WeakPolarHBondContact O-CB 3.35Å; E195-A199 PolarHBondContact O-N 3.44Å
196S90.7Very high93.3Very high94 Ų9459.7 Ų59.766%0.65732%0.322SS*.Hα-helixtrans-65.6-31.6177.960.60000113L194 V198L194-S196 PolarHBondContact O-N 2.99Å; S196-V198 VanDerWaalsContact C-N 3.31Å; S196-V198 PolarHBondContact O-N 2.92Å
197R91.6Very high93Very high38 Ų3865.3 Ų65.314%0.14334%0.344CS..Hα-helixtrans-72.1-25.3-179.8-53.6178.4-177.9-151.7-6.8112.6D103 K104 I106 D153 L193 L194 E195 H200D103-R197 PolarHBondContact O-NH1 3.33Å; D103-R197 PolarHBondContact O-NH2 3.11Å; K104-R197 VanDerWaalsContact C-NH1 3.3Å; K104-R197 PolarHBondContact O-NH1 2.9Å; I106-R197 VanDerWaalsContact CG1-NH1 3.26Å; D153-R197 IonicContact OD2-CZ 2.72Å; D153-R197 IonicContact OD2-NH2 2.68Å; D153-R197 PolarHBondContact OD2-NH2 3.42Å; L193-R197 VanDerWaalsContact O-CD 3.26Å; L193-R197 WeakPolarHBondContact O-CD 3.35Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-NE 3.34Å; L194-R197 WeakPolarHBondContact O-CA 3.3Å; L194-R197 WeakPolarHBondContact O-CB 3.22Å; L194-R197 PolarHBondContact O-N 3.41Å; E195-R197 VanDerWaalsContact C-N 3.28Å; E195-R197 PolarHBondContact O-N 3.45Å; R197-H200 PolarHBondContact O-CE1 3.47Å; R197-H200 PolarHBondContact O-ND1 2.98Å
198V93Very high92.7Very high6 Ų674.4 Ų74.44%0.03638%0.377CS..Hα-helixtrans-117.3-7.9-174.7-60.90000114L19 A57 W191 L194 E195 S196 H200 L201L19-V198 HydrophobicContact CD2-CB 3.82Å; L19-V198 HydrophobicContact CD2-CG1 4.1Å; L19-V198 HydrophobicContact CD2-CG2 3.66Å; A57-V198 HydrophobicContact CB-CG1 4.11Å; W191-V198 HydrophobicContact CH2-CG2 4.08Å; W191-V198 HydrophobicContact CZ3-CG2 4.44Å; L194-V198 WeakPolarHBondContact O-CG2 3.33Å; L194-V198 PolarHBondContact O-N 3.06Å; E195-V198 PolarHBondContact O-N 3.46Å; S196-V198 VanDerWaalsContact C-N 3.31Å; S196-V198 PolarHBondContact O-N 2.92Å; V198-H200 PolarHBondContact O-N 3.26Å; V198-L201 HydrophobicContact CB-CD1 3.9Å; V198-L201 HydrophobicContact CB-CG 4.42Å; V198-L201 HydrophobicContact CG1-CD1 4.01Å; V198-L201 WeakPolarHBondContact O-CB 3.31Å; V198-L201 WeakPolarHBondContact O-CG 3.48Å; V198-L201 PolarHBondContact O-N 3.42Å; V198-L201 VanDerWaalsContact O-N 3.07Å
199A92.2Very high92.5Very high66 Ų6669.9 Ų69.955%0.54537%0.368SS..THydrogen-bonded Turntrans-57.6-35.2-176.900000113.1E195 L201E195-A199 WeakPolarHBondContact O-CA 3.49Å; E195-A199 VanDerWaalsContact O-CB 3.23Å; E195-A199 WeakPolarHBondContact O-CB 3.35Å; E195-A199 PolarHBondContact O-N 3.44Å; A199-L201 VanDerWaalsContact C-N 3.32Å
200H90.9Very high92.2Very high143 Ų14372.8 Ų72.866%0.66239%0.385SS*.THydrogen-bonded Turntrans-80.6-8-178.468.4-87000114R197 V198R197-H200 PolarHBondContact O-CE1 3.47Å; R197-H200 PolarHBondContact O-ND1 2.98Å; V198-H200 PolarHBondContact O-N 3.26Å
201L91.1Very high92Very high26 Ų2674.4 Ų74.414%0.13640%0.395CS..PPolyproline II helixtrans-68.4128.7-178.2-63.8179.4000110.3K22 C23 A57 V198 A199K22-L201 HydrophobicContact CB-CB 4.33Å; C23-L201 HydrophobicContact CB-CD1 3.85Å; A57-L201 HydrophobicContact CB-CD1 4.31Å; V198-L201 HydrophobicContact CB-CD1 3.9Å; V198-L201 HydrophobicContact CB-CG 4.42Å; V198-L201 HydrophobicContact CG1-CD1 4.01Å; V198-L201 WeakPolarHBondContact O-CB 3.31Å; V198-L201 WeakPolarHBondContact O-CG 3.48Å; V198-L201 PolarHBondContact O-N 3.42Å; V198-L201 VanDerWaalsContact O-N 3.07Å; A199-L201 VanDerWaalsContact C-N 3.32Å
202P89.5Confident91.8Very high100 Ų10075.6 Ų75.665%0.64941%0.405SS*.PPolyproline II helixtrans-70168.2176.432.2-35.8000110.6
203F89.2Confident91.6Very high116 Ų11678.3 Ų78.351%0.50942%0.418SS..PPolyproline II helixtrans-71.6131.9165.4-70.4-44.6000110.5R21 K22 L205R21-F203 HydrophobicContact CB-CD1 3.91Å; R21-F203 CarbonylContact O-C 3.52Å; R21-F203 WeakPolarHBondContact O-CA 3.26Å; K22-F203 HydrophobicContact CD-CE1 4.29Å; K22-F203 HydrophobicContact CG-CD1 3.68Å; K22-F203 HydrophobicContact CG-CE1 3.85Å; F203-L205 PolarHBondContact O-N 2.74Å; F203-L205 VanDerWaalsContact O-N 3.1Å
204I86.5Confident91.6Very high90 Ų9081.3 Ų81.346%0.46244%0.442SS..SBendtrans-65.4105.2166.3-55.2169.9000105.4R21R21-I204 PolarHBondContact O-N 3.33Å
205L87.4Confident91.4Very high89 Ų8983 Ų8347%0.46646%0.455SS..SBendtrans74.5151.2-174.7-52.8174.2000115.3R21 F203R21-L205 PolarHBondContact NH2-O 3.4Å; F203-L205 PolarHBondContact O-N 2.74Å; F203-L205 VanDerWaalsContact O-N 3.1Å
206P86.8Confident91.2Very high17 Ų1780.2 Ų80.211%0.1145%0.446CS..  trans-64.2165.5-176.926.6-36.6000113.3R21 D210 V211 L220 Y223R21-P206 VanDerWaalsContact NH2-C 3.34Å; R21-P206 PolarHBondContact NH2-O 3.24Å; P206-D210 HydrophobicContact CB-CB 4.49Å; P206-V211 HydrophobicContact CG-CG2 4.27Å; P206-L220 HydrophobicContact CG-CD2 4.14Å; P206-Y223 HydrophobicContact CB-CD2 4.44Å; P206-Y223 HydrophobicContact CB-CE2 3.8Å; P206-Y223 HydrophobicContact CG-CD2 4.12Å; P206-Y223 HydrophobicContact CG-CE2 3.84Å
207Y90.2Very high91.3Very high118 Ų11881.5 Ų81.546%0.46344%0.441SS..  trans-65.5142165.8176.9-112.4000109.5G209 D210Y207-G209 PolarHBondContact O-N 3.37Å; Y207-G209 VanDerWaalsContact O-N 3.08Å; Y207-D210 PolarHBondContact O-N 2.99Å
208W91.9Very high91.1Very high196 Ų19682.1 Ų82.174%0.74245%0.451SS*.G310 helixtrans-58.6-28.8-173.272.5-91.1000113.1D210 V211W208-D210 VanDerWaalsContact C-N 3.27Å; W208-D210 PolarHBondContact O-N 3.43Å; W208-V211 PolarHBondContact O-N 3.01Å
209G93.4Very high90.8Very high44 Ų4482.7 Ų82.745%0.45446%0.456SS..G310 helixtrans-74-14.3177.100000114.7Y207Y207-G209 PolarHBondContact O-N 3.37Å; Y207-G209 VanDerWaalsContact O-N 3.08Å
210D91.4Very high90.6Very high109 Ų10983 Ų8358%0.58345%0.448SS*.G310 helixtrans-94.61.2177.9-57.1-31.9000112.1P206 Y207 W208P206-D210 HydrophobicContact CB-CB 4.49Å; Y207-D210 PolarHBondContact O-N 2.99Å; W208-D210 VanDerWaalsContact C-N 3.27Å; W208-D210 PolarHBondContact O-N 3.43Å
211V93.9Very high90.3Very high35 Ų3582.8 Ų82.821%0.21245%0.451CS..SBendtrans-78.3123.4178179.40000109.6P206 W208 T213 P216 L220P206-V211 HydrophobicContact CG-CG2 4.27Å; W208-V211 PolarHBondContact O-N 3.01Å; V211-T213 PolarHBondContact O-N 3.34Å; V211-T213 VanDerWaalsContact O-N 3.08Å; V211-P216 HydrophobicContact CG1-CB 4.07Å; V211-L220 HydrophobicContact CG1-CG 4.41Å; V211-L220 HydrophobicContact CG2-CD2 4.02Å
212D92.8Very high89.4Confident65 Ų6586.3 Ų86.335%0.34848%0.477SS..  trans-66.8107.1173-179.5-1.3000110.1S214 S215 P216 S219D212-S214 VanDerWaalsContact CG-OG 3.31Å; D212-S214 PolarHBondContact O-N 2.98Å; D212-S214 WeakPolarHBondContact OD1-CA 3.34Å; D212-S214 WeakPolarHBondContact OD1-CB 3.3Å; D212-S214 PolarHBondContact OD1-N 2.95Å; D212-S214 PolarHBondContact OD1-OG 2.75Å; D212-S214 PolarHBondContact OD2-OG 3.09Å; D212-S215 CarbonylContact O-C 3.11Å; D212-S215 PolarHBondContact O-N 3.46Å; D212-S215 VanDerWaalsContact O-N 3.09Å; D212-S215 PolarHBondContact OD1-N 2.79Å; D212-P216 VanDerWaalsContact O-CA 3.31Å; D212-P216 WeakPolarHBondContact O-CA 3.45Å; D212-P216 WeakPolarHBondContact O-CD 3.41Å; D212-S219 WeakPolarHBondContact CB-OG 3.29Å; D212-S219 PolarHBondContact N-OG 3.16Å
213T93.8Very high87.8Confident137 Ų13788.3 Ų88.384%0.8447%0.472SS*.THydrogen-bonded Turntrans-61.8-22.3179.158.90000114.1V211V211-T213 PolarHBondContact O-N 3.34Å; V211-T213 VanDerWaalsContact O-N 3.08Å
214S95.8Very high85.9Confident103 Ų10391.8 Ų91.872%0.7251%0.511SS*.THydrogen-bonded Turntrans-85.9-21.6177.3740000113.1D212D212-S214 VanDerWaalsContact CG-OG 3.31Å; D212-S214 PolarHBondContact O-N 2.98Å; D212-S214 WeakPolarHBondContact OD1-CA 3.34Å; D212-S214 WeakPolarHBondContact OD1-CB 3.3Å; D212-S214 PolarHBondContact OD1-N 2.95Å; D212-S214 PolarHBondContact OD1-OG 2.75Å; D212-S214 PolarHBondContact OD2-OG 3.09Å
215S92.1Very high85.9Confident46 Ų4691.9 Ų91.932%0.32251%0.513SS..  trans-148.371.6175-169.10000112.2D212 E217 S218D212-S215 CarbonylContact O-C 3.11Å; D212-S215 PolarHBondContact O-N 3.46Å; D212-S215 VanDerWaalsContact O-N 3.09Å; D212-S215 PolarHBondContact OD1-N 2.79Å; S215-E217 VanDerWaalsContact C-N 3.26Å; S215-E217 PolarHBondContact O-N 2.93Å; S215-S218 WeakPolarHBondContact O-CB 3.46Å; S215-S218 PolarHBondContact O-N 3.38Å; S215-S218 VanDerWaalsContact O-N 3.09Å; S215-S218 PolarHBondContact O-OG 3.34Å
216P91.8Very high85.8Confident46 Ų4692 Ų9230%0.29952%0.516SS..Hα-helixtrans-59.9-33.7-174.6-25.635.4000113.9V211 D212 S218 S219 L220V211-P216 HydrophobicContact CG1-CB 4.07Å; D212-P216 VanDerWaalsContact O-CA 3.31Å; D212-P216 WeakPolarHBondContact O-CA 3.45Å; D212-P216 WeakPolarHBondContact O-CD 3.41Å; P216-S218 VanDerWaalsContact C-N 3.26Å; P216-S218 PolarHBondContact O-N 2.89Å; P216-S219 PolarHBondContact O-N 3.46Å; P216-L220 HydrophobicContact CB-CD1 4.28Å; P216-L220 WeakPolarHBondContact O-CB 3.44Å; P216-L220 VanDerWaalsContact O-CG 3.27Å; P216-L220 WeakPolarHBondContact O-CG 3.23Å; P216-L220 PolarHBondContact O-N 3.44Å
217E92.3Very high85.8Confident121 Ų12196.2 Ų96.257%0.56554%0.538SS*.Hα-helixtrans-59.3-38.3177.9-64.383.8173.700111.7S215 S219 L220 L221S215-E217 VanDerWaalsContact C-N 3.26Å; S215-E217 PolarHBondContact O-N 2.93Å; E217-S219 VanDerWaalsContact C-N 3.31Å; E217-S219 PolarHBondContact O-N 2.62Å; E217-L220 PolarHBondContact O-N 3.08Å; E217-L221 HydrophobicContact CB-CD1 4.17Å; E217-L221 VanDerWaalsContact O-CB 3.29Å; E217-L221 WeakPolarHBondContact O-CB 3.17Å; E217-L221 WeakPolarHBondContact O-CG 3.46Å; E217-L221 PolarHBondContact O-N 3.08Å
218S87.8Confident85.5Confident51 Ų5194.9 Ų94.936%0.35754%0.543SS..Hα-helixtrans-65.4-35.1179.775.50000112.2S215 P216 C222S215-S218 WeakPolarHBondContact O-CB 3.46Å; S215-S218 PolarHBondContact O-N 3.38Å; S215-S218 VanDerWaalsContact O-N 3.09Å; S215-S218 PolarHBondContact O-OG 3.34Å; P216-S218 VanDerWaalsContact C-N 3.26Å; P216-S218 PolarHBondContact O-N 2.89Å; S218-C222 VanDerWaalsContact O-CB 3.25Å; S218-C222 WeakPolarHBondContact O-CB 3.44Å; S218-C222 PolarHBondContact O-SG 3.44Å
219S86.2Confident85.1Confident19 Ų1988.6 Ų88.613%0.13353%0.53CS..Hα-helixtrans-83.8-30.7177.5-49.80000112.7D212 P216 E217 Y223D212-S219 WeakPolarHBondContact CB-OG 3.29Å; D212-S219 PolarHBondContact N-OG 3.16Å; P216-S219 PolarHBondContact O-N 3.46Å; E217-S219 VanDerWaalsContact C-N 3.31Å; E217-S219 PolarHBondContact O-N 2.62Å; S219-Y223 WeakPolarHBondContact O-CD2 3.34Å; S219-Y223 VanDerWaalsContact O-CE2 3.24Å; S219-Y223 WeakPolarHBondContact O-CE2 3.39Å
220L87.5Confident84.6Confident71 Ų7191.5 Ų91.537%0.37254%0.535SS..Hα-helixtrans-91-28.7-173.5-67.6172.6000113.8P206 V211 P216 E217P206-L220 HydrophobicContact CG-CD2 4.14Å; V211-L220 HydrophobicContact CG1-CG 4.41Å; V211-L220 HydrophobicContact CG2-CD2 4.02Å; P216-L220 HydrophobicContact CB-CD1 4.28Å; P216-L220 WeakPolarHBondContact O-CB 3.44Å; P216-L220 VanDerWaalsContact O-CG 3.27Å; P216-L220 WeakPolarHBondContact O-CG 3.23Å; P216-L220 PolarHBondContact O-N 3.44Å; E217-L220 PolarHBondContact O-N 3.08Å
221L85.6Confident84.1Confident140 Ų14090.3 Ų90.373%0.73353%0.532SS*.Hα-helixtrans-101.1-11.2-175.8-57.5178.8000114E217E217-L221 HydrophobicContact CB-CD1 4.17Å; E217-L221 VanDerWaalsContact O-CB 3.29Å; E217-L221 WeakPolarHBondContact O-CB 3.17Å; E217-L221 WeakPolarHBondContact O-CG 3.46Å; E217-L221 PolarHBondContact O-N 3.08Å
222C70.6Confident83.3Confident99 Ų9994.5 Ų94.567%0.66956%0.556SS**SBendtrans-83.6-6.2178.7-71.40000114.3S218S218-C222 VanDerWaalsContact O-CB 3.25Å; S218-C222 WeakPolarHBondContact O-CB 3.44Å; S218-C222 PolarHBondContact O-SG 3.44Å
223Y57.6Low82.5Confident143 Ų14397 Ų9756%0.56157%0.574SS**  trans-89.9104.7174.4-73.2-91.6000109.5P206 S219P206-Y223 HydrophobicContact CB-CD2 4.44Å; P206-Y223 HydrophobicContact CB-CE2 3.8Å; P206-Y223 HydrophobicContact CG-CD2 4.12Å; P206-Y223 HydrophobicContact CG-CE2 3.84Å; S219-Y223 WeakPolarHBondContact O-CD2 3.34Å; S219-Y223 VanDerWaalsContact O-CE2 3.24Å; S219-Y223 WeakPolarHBondContact O-CE2 3.39Å
224S49.4Very low81.5Confident188 Ų18893.4 Ų93.4100%1.31555%0.55SS*.  trans-101.50169.463.40000111.2

Retrieved 224 of 224 residues in 551.2 ms (Link to these results)

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