A0A060XW16_ONCMY Loading...

Ankyrin repeat domain 10b

AlphaFold DB , UniProt , Accession A0A060XW16, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ankrd10b, Length 368 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
1M37.8Very low49.3Very low235 Ų235127.8 Ų127.8100%1.15877%0.773SS**  093.60-66.6-170.9-129.400106.8V3M1-V3 PolarHBondContact O-N 3.45Å
2S37.8Very low50.8Low133 Ų133122.6 Ų122.693%0.9373%0.734SS**  trans-85.795.8178.7-47.20000107.3
3V51.3Low52.3Low144 Ų144120.8 Ų120.887%0.87371%0.714SS**  trans-81.6135.3168.7-83.40000108.8M1M1-V3 PolarHBondContact O-N 3.45Å
4G47.8Very low53.5Low69 Ų69114.6 Ų114.671%0.71168%0.677SS**  trans127.860.1164.800000115.2
5I44.8Very low54.6Low169 Ų169107.5 Ų107.587%0.86764%0.635SS**  trans-103.490146.4-58.4173.8000103.8S7I5-S7 PolarHBondContact O-N 3.26Å
6E45.8Very low55.5Low187 Ų187104.4 Ų104.487%0.87461%0.614SS**  trans-61.5111164.9-73.4-172.2163.100106.1G8E6-G8 PolarHBondContact O-N 3.09Å
7S50.8Low56.7Low107 Ų107105.8 Ų105.875%0.74862%0.624SS**  trans-52.8107170.548.40000107.6I5 F9I5-S7 PolarHBondContact O-N 3.26Å; S7-F9 PolarHBondContact O-N 3.49Å
8G53.2Low58.1Low71 Ų71109.4 Ų109.473%0.73263%0.625SS**PPolyproline II helixtrans-51128.3173.700000109E6 S10E6-G8 PolarHBondContact O-N 3.09Å; G8-S10 PolarHBondContact O-N 3.49Å
9F46.8Very low59.8Low161 Ų161104.2 Ų104.271%0.70660%0.595SS**PPolyproline II helixtrans-46.5133.5177.8-69.3-85.6000110.3S7 E13 V14S7-F9 PolarHBondContact O-N 3.49Å; F9-E13 HydrophobicContact CD1-CB 4.36Å; F9-V14 HydrophobicContact CB-CG2 3.64Å; F9-V14 HydrophobicContact CG-CG2 4.47Å
10S61.8Low61.4Low63 Ų63102 Ų10244%0.44158%0.584SS.*PPolyproline II helixtrans-60.6146.3170.5177.90000109G8 E12 E13 V14G8-S10 PolarHBondContact O-N 3.49Å; S10-E12 PolarHBondContact O-N 3.02Å; S10-E13 PolarHBondContact N-OE2 3.26Å; S10-E13 PolarHBondContact O-N 3.43Å; S10-V14 PolarHBondContact O-N 3.47Å
11S64.6Low62.9Low67 Ų6797.9 Ų97.947%0.46956%0.56SS.*Hα-helixtrans-52.6-31.2176.347.20000112.2L15S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.14Å
12E67Low65.6Low65 Ų6586.9 Ų86.930%0.30451%0.506SS..Hα-helixtrans-65.8-42.9175.1-16961.4-163.500113.3S10 V14 L15 N16 R26S10-E12 PolarHBondContact O-N 3.02Å; E12-V14 VanDerWaalsContact C-N 3.34Å; E12-V14 PolarHBondContact O-N 3.22Å; E12-L15 PolarHBondContact O-N 3.45Å; E12-N16 WeakPolarHBondContact O-CB 3.5Å; E12-N16 PolarHBondContact O-N 3.37Å; E12-N16 PolarHBondContact O-ND2 3.42Å; E12-R26 IonicContact OE1-CZ 2.73Å; E12-R26 IonicContact OE1-NH1 2.66Å; E12-R26 PolarHBondContact OE1-NH1 3.05Å; E12-R26 IonicContact OE1-NH2 2.68Å; E12-R26 PolarHBondContact OE1-NH2 3.46Å; E12-R26 IonicContact OE2-CZ 3.25Å; E12-R26 IonicContact OE2-NH1 3.35Å; E12-R26 PolarHBondContact OE2-NH1 3.08Å; E12-R26 IonicContact OE2-NH2 2.94Å
13E70.4Confident68.2Low100 Ų10085.7 Ų85.747%0.46748%0.481SS..Hα-helixtrans-67.6-37.7-179.8-69.7172.4159.200111.3F9 S10 N16 V17F9-E13 HydrophobicContact CD1-CB 4.36Å; S10-E13 PolarHBondContact N-OE2 3.26Å; S10-E13 PolarHBondContact O-N 3.43Å; E13-N16 WeakPolarHBondContact O-CB 3.35Å; E13-N16 PolarHBondContact O-N 3.14Å; E13-V17 WeakPolarHBondContact O-CG2 3.38Å; E13-V17 PolarHBondContact O-N 3.47Å
14V69.6Low70.3Confident34 Ų3479 Ų7921%0.20644%0.441CS..Hα-helixtrans-68.2-42175.5178.70000111.3F9 S10 E12 N16 V17 R18 F19 F52F9-V14 HydrophobicContact CB-CG2 3.64Å; F9-V14 HydrophobicContact CG-CG2 4.47Å; S10-V14 PolarHBondContact O-N 3.47Å; E12-V14 VanDerWaalsContact C-N 3.34Å; E12-V14 PolarHBondContact O-N 3.22Å; V14-N16 VanDerWaalsContact C-N 3.29Å; V14-N16 PolarHBondContact O-N 3.27Å; V14-V17 PolarHBondContact O-N 3.29Å; V14-R18 HydrophobicContact CG1-CB 4.35Å; V14-R18 WeakPolarHBondContact O-CB 3.43Å; V14-R18 PolarHBondContact O-N 3.44Å; V14-F19 HydrophobicContact CG1-CE2 4.44Å; V14-F52 HydrophobicContact CB-CE2 4.12Å; V14-F52 HydrophobicContact CB-CZ 3.62Å; V14-F52 HydrophobicContact CG1-CE2 3.82Å; V14-F52 HydrophobicContact CG1-CZ 3.57Å; V14-F52 HydrophobicContact CG2-CZ 4.2Å
15L69.8Low72.6Confident8 Ų875.7 Ų75.74%0.04241%0.407CS..Hα-helixtrans-60.4-41.7173.2-74.2174.3000111S11 E12 V17 F19 F52 W60S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.14Å; E12-L15 PolarHBondContact O-N 3.45Å; L15-V17 PolarHBondContact O-N 3Å; L15-F19 HydrophobicContact CD2-CB 4.15Å; L15-F19 HydrophobicContact CD2-CD2 4.25Å; L15-F19 CarbonylContact O-C 3.2Å; L15-F19 WeakPolarHBondContact O-CA 3.4Å; L15-F19 PolarHBondContact O-N 2.99Å; L15-F19 VanDerWaalsContact O-N 3.07Å; L15-F52 HydrophobicContact CD2-CD2 4.13Å; L15-F52 HydrophobicContact CD2-CE2 4.07Å; L15-F52 HydrophobicContact CG-CD2 4.39Å; L15-F52 HydrophobicContact CG-CE2 4.06Å; L15-W60 HydrophobicContact CD1-CH2 3.74Å; L15-W60 HydrophobicContact CD1-CZ2 4.09Å; L15-W60 HydrophobicContact CD2-CZ2 4.05Å
16N69.6Low75.1Confident57 Ų5770 Ų7031%0.30538%0.375SS..Hα-helixtrans-62.3-41.5178.7-75.2-31.4000113.5E12 E13 V14 R23E12-N16 WeakPolarHBondContact O-CB 3.5Å; E12-N16 PolarHBondContact O-N 3.37Å; E12-N16 PolarHBondContact O-ND2 3.42Å; E13-N16 WeakPolarHBondContact O-CB 3.35Å; E13-N16 PolarHBondContact O-N 3.14Å; V14-N16 VanDerWaalsContact C-N 3.29Å; V14-N16 PolarHBondContact O-N 3.27Å; N16-R23 WeakPolarHBondContact OD1-CD 3.34Å; N16-R23 VanDerWaalsContact OD1-CZ 3.25Å; N16-R23 PolarHBondContact OD1-NE 3.27Å; N16-R23 PolarHBondContact OD1-NH1 3Å
17V74.4Confident77.4Confident128 Ų12864.4 Ų64.478%0.77635%0.351SS*.Hα-helixtrans-90.3-37.8-174177.30000112E13 V14 L15E13-V17 WeakPolarHBondContact O-CG2 3.38Å; E13-V17 PolarHBondContact O-N 3.47Å; V14-V17 PolarHBondContact O-N 3.29Å; L15-V17 PolarHBondContact O-N 3Å
18R83.4Confident79.6Confident171 Ų17160.6 Ų60.665%0.64533%0.329SS*.Hα-helixtrans-104.3-22.9-168.1-164.7173.4178.7168.9-0.2113.8V14V14-R18 HydrophobicContact CG1-CB 4.35Å; V14-R18 WeakPolarHBondContact O-CB 3.43Å; V14-R18 PolarHBondContact O-N 3.44Å
19F90.1Very high81.6Confident11 Ų1161.2 Ų61.25%0.04832%0.315CS..  trans-135.159.6-171.9-60.4-71.5000112.7V14 L15 L21 H22 R23 V48 D50V14-F19 HydrophobicContact CG1-CE2 4.44Å; L15-F19 HydrophobicContact CD2-CB 4.15Å; L15-F19 HydrophobicContact CD2-CD2 4.25Å; L15-F19 CarbonylContact O-C 3.2Å; L15-F19 WeakPolarHBondContact O-CA 3.4Å; L15-F19 PolarHBondContact O-N 2.99Å; L15-F19 VanDerWaalsContact O-N 3.07Å; F19-L21 VanDerWaalsContact C-N 3.29Å; F19-L21 PolarHBondContact O-N 2.95Å; F19-H22 HydrophobicContact CB-CB 3.94Å; F19-H22 AromaticContact CD1-CE1 3.64Å; F19-H22 AromaticContact CD1-ND1 3.81Å; F19-H22 PolarHBondContact O-N 2.91Å; F19-H22 VanDerWaalsContact O-N 3.15Å; F19-R23 PolarHBondContact O-N 3.06Å; F19-R23 VanDerWaalsContact O-N 3.12Å; F19-V48 HydrophobicContact CD1-CG1 4.38Å; F19-V48 HydrophobicContact CE1-CG1 3.91Å; F19-D50 HydrophobicContact CD1-CB 4.39Å; F19-D50 HydrophobicContact CD2-CB 4.25Å; F19-D50 HydrophobicContact CE1-CB 4.38Å; F19-D50 HydrophobicContact CE2-CB 4.23Å; F19-D50 HydrophobicContact CG-CB 4.32Å; F19-D50 HydrophobicContact CZ-CB 4.3Å
20P91.5Very high84Confident59 Ų5955.6 Ų55.638%0.38329%0.292SS..Hα-helixtrans-62.3-33.2-175.825.6-35.2000113.3R23 A24 L36P20-R23 PolarHBondContact O-N 3.4Å; P20-A24 PolarHBondContact O-N 3.19Å; P20-L36 HydrophobicContact CB-CD1 3.96Å; P20-L36 HydrophobicContact CB-CD2 4.15Å; P20-L36 HydrophobicContact CG-CD2 4.38Å
21L93.1Very high85.6Confident16 Ų1654.7 Ų54.78%0.08429%0.293CS..Hα-helixtrans-65.4-43.4175-77.4172.7000112F19 R23 A24 C25 L33 L36 L37 L46 P57F19-L21 VanDerWaalsContact C-N 3.29Å; F19-L21 PolarHBondContact O-N 2.95Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.29Å; L21-A24 PolarHBondContact O-N 3.46Å; L21-C25 WeakPolarHBondContact O-CB 3.09Å; L21-C25 PolarHBondContact O-N 3.32Å; L21-C25 PolarHBondContact O-SG 3.32Å; L21-L33 HydrophobicContact CD2-CD1 3.76Å; L21-L36 HydrophobicContact CD2-CB 3.58Å; L21-L36 HydrophobicContact CD2-CD1 4.14Å; L21-L36 HydrophobicContact CG-CB 4.32Å; L21-L36 HydrophobicContact CG-CD1 4.5Å; L21-L37 HydrophobicContact CD2-CD2 4.02Å; L21-L37 HydrophobicContact CD2-CG 4.25Å; L21-L46 HydrophobicContact CD1-CD2 4.11Å; L21-P57 HydrophobicContact CB-CB 4.29Å; L21-P57 HydrophobicContact CB-CG 3.85Å
22H94.3Very high87Confident5 Ų553.1 Ų53.12%0.02328%0.284CS..Hα-helixtrans-61.6-43.1177.5-58.662.5000111F19 C25 R26 V48 W55 W60F19-H22 HydrophobicContact CB-CB 3.94Å; F19-H22 AromaticContact CD1-CE1 3.64Å; F19-H22 AromaticContact CD1-ND1 3.81Å; F19-H22 PolarHBondContact O-N 2.91Å; F19-H22 VanDerWaalsContact O-N 3.15Å; H22-C25 WeakPolarHBondContact O-CB 3.5Å; H22-C25 PolarHBondContact O-N 3.03Å; H22-R26 PolarHBondContact O-N 3.23Å; H22-V48 PolarHBondContact CE1-O 3.39Å; H22-V48 PolarHBondContact NE2-O 2.96Å; H22-W55 PolarHBondContact CD2-O 2.87Å; H22-W55 PolarHBondContact NE2-O 3.24Å; H22-W60 HydrophobicContact CB-CG 4.28Å; H22-W60 AromaticContact CD2-CD1 3.48Å; H22-W60 VanDerWaalsContact CD2-CD1 3.48Å; H22-W60 AromaticContact CD2-NE1 3.61Å
23R93.3Very high88.4Confident107 Ų10750 Ų5040%0.40427%0.269SS..Hα-helixtrans-60.3-51175.5-176.4-166.8174.3174.2-8.5112N16 F19 P20 L21 C25 R26 D27N16-R23 WeakPolarHBondContact OD1-CD 3.34Å; N16-R23 VanDerWaalsContact OD1-CZ 3.25Å; N16-R23 PolarHBondContact OD1-NE 3.27Å; N16-R23 PolarHBondContact OD1-NH1 3Å; F19-R23 PolarHBondContact O-N 3.06Å; F19-R23 VanDerWaalsContact O-N 3.12Å; P20-R23 PolarHBondContact O-N 3.4Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.29Å; R23-C25 PolarHBondContact O-N 2.88Å; R23-R26 WeakPolarHBondContact O-CB 3.45Å; R23-R26 PolarHBondContact O-N 3.47Å; R23-D27 WeakPolarHBondContact CG-OD2 3.5Å; R23-D27 IonicContact NE-OD2 3.39Å; R23-D27 PolarHBondContact NE-OD2 3.37Å; R23-D27 PolarHBondContact O-N 2.99Å
24A95.1Very high89.6Confident4 Ų446.8 Ų46.83%0.03326%0.257CS..Hα-helixtrans-56.3-38.8178.500000111.3P20 L21 G28 D29 A32 L33 L36P20-A24 PolarHBondContact O-N 3.19Å; L21-A24 PolarHBondContact O-N 3.46Å; A24-G28 CarbonylContact O-C 3.54Å; A24-G28 WeakPolarHBondContact O-CA 3.43Å; A24-G28 PolarHBondContact O-N 3.42Å; A24-D29 PolarHBondContact O-N 3.06Å; A24-A32 HydrophobicContact CB-CB 4.2Å; A24-L33 HydrophobicContact CB-CB 4.08Å; A24-L36 HydrophobicContact CB-CD1 4.31Å
25C96.3Very high90.7Very high0 Ų048.3 Ų48.30%027%0.27CS..Hα-helixtrans-70.9-34.7176.6-67.20000114.1L21 H22 R23 P57 W60 A61 K66L21-C25 WeakPolarHBondContact O-CB 3.09Å; L21-C25 PolarHBondContact O-N 3.32Å; L21-C25 PolarHBondContact O-SG 3.32Å; H22-C25 WeakPolarHBondContact O-CB 3.5Å; H22-C25 PolarHBondContact O-N 3.03Å; R23-C25 PolarHBondContact O-N 2.88Å; C25-P57 HydrophobicContact CB-CB 4.5Å; C25-P57 WeakPolarHBondContact CB-O 3.32Å; C25-W60 HydrophobicContact CB-CB 4.23Å; C25-A61 HydrophobicContact CB-CB 3.95Å; C25-K66 WeakPolarHBondContact O-CG 3.5Å
26R95.5Very high91.8Very high48 Ų4850.5 Ų50.518%0.18128%0.281CS..Hα-helixtrans-65.6-51173.8-176-171.776.4-179-0.8111.1E12 H22 R23 G28 W60 F64 K66E12-R26 IonicContact OE1-CZ 2.73Å; E12-R26 IonicContact OE1-NH1 2.66Å; E12-R26 PolarHBondContact OE1-NH1 3.05Å; E12-R26 IonicContact OE1-NH2 2.68Å; E12-R26 PolarHBondContact OE1-NH2 3.46Å; E12-R26 IonicContact OE2-CZ 3.25Å; E12-R26 IonicContact OE2-NH1 3.35Å; E12-R26 PolarHBondContact OE2-NH1 3.08Å; E12-R26 IonicContact OE2-NH2 2.94Å; H22-R26 PolarHBondContact O-N 3.23Å; R23-R26 WeakPolarHBondContact O-CB 3.45Å; R23-R26 PolarHBondContact O-N 3.47Å; R26-G28 VanDerWaalsContact C-N 3.26Å; R26-G28 PolarHBondContact O-N 3.24Å; R26-W60 HydrophobicContact CB-CE3 3.68Å; R26-W60 HydrophobicContact CB-CZ3 4.15Å; R26-W60 VanDerWaalsContact CD-CZ3 3.47Å; R26-W60 HydrophobicContact CG-CE3 3.74Å; R26-W60 HydrophobicContact CG-CZ3 3.8Å; R26-F64 HydrophobicContact CB-CD2 4.32Å; R26-F64 HydrophobicContact CB-CE2 4.47Å; R26-F64 HydrophobicContact CG-CD1 4.3Å; R26-F64 HydrophobicContact CG-CD2 3.76Å; R26-F64 HydrophobicContact CG-CE1 4.14Å; R26-F64 HydrophobicContact CG-CE2 3.64Å; R26-F64 HydrophobicContact CG-CG 4.11Å; R26-F64 HydrophobicContact CG-CZ 3.81Å; R26-K66 WeakPolarHBondContact O-CE 3.45Å
27D94.8Very high92.9Very high70 Ų7048.8 Ų48.837%0.37427%0.272SS..Hα-helixtrans-74.2-24.6-173.6-61.7-11.7000110.4R23R23-D27 WeakPolarHBondContact CG-OD2 3.5Å; R23-D27 IonicContact NE-OD2 3.39Å; R23-D27 PolarHBondContact NE-OD2 3.37Å; R23-D27 PolarHBondContact O-N 2.99Å
28G96.1Very high93.6Very high27 Ų2750.3 Ų50.328%0.27827%0.27SS..THydrogen-bonded Turntrans83.120.8-175.200000112.8A24 R26 I30A24-G28 CarbonylContact O-C 3.54Å; A24-G28 WeakPolarHBondContact O-CA 3.43Å; A24-G28 PolarHBondContact O-N 3.42Å; R26-G28 VanDerWaalsContact C-N 3.26Å; R26-G28 PolarHBondContact O-N 3.24Å; G28-I30 PolarHBondContact O-N 3.49Å
29D96.6Very high93.6Very high84 Ų8447.1 Ų47.145%0.44927%0.273SS..  trans-78.891.7179.8-172.5-15.9000110.2A24 G31 A32 L33A24-D29 PolarHBondContact O-N 3.06Å; D29-G31 VanDerWaalsContact C-N 3.27Å; D29-G31 PolarHBondContact O-N 3.47Å; D29-G31 PolarHBondContact OD1-N 2.92Å; D29-A32 HydrophobicContact CB-CB 4.03Å; D29-A32 VanDerWaalsContact CG-CB 3.4Å; D29-A32 PolarHBondContact OD1-N 3.42Å; D29-A32 WeakPolarHBondContact OD2-CB 3.41Å; D29-L33 VanDerWaalsContact O-CB 3.26Å; D29-L33 WeakPolarHBondContact O-CB 3.5Å; D29-L33 PolarHBondContact O-N 3.3Å
30I95.8Very high93.2Very high43 Ų4348.3 Ų48.322%0.22128%0.282CS..Hα-helixtrans-65.2-31.4178.1-63.2-65.9000112.3G28 L33 C34 E68 C69G28-I30 PolarHBondContact O-N 3.49Å; I30-L33 HydrophobicContact CD1-CD2 4.28Å; I30-C34 VanDerWaalsContact O-CB 3.31Å; I30-C34 WeakPolarHBondContact O-CB 3.27Å; I30-C34 PolarHBondContact O-N 3.07Å; I30-C34 PolarHBondContact O-SG 3.36Å; I30-E68 VanDerWaalsContact CD1-C 3.42Å; I30-E68 HydrophobicContact CD1-CB 3.47Å; I30-E68 VanDerWaalsContact CD1-CB 3.47Å; I30-E68 HydrophobicContact CG1-CB 3.84Å; I30-C69 HydrophobicContact CD1-CB 4.12Å; I30-C69 VanDerWaalsContact CD1-N 3.31Å; I30-C69 WeakPolarHBondContact CD1-SG 3.35Å
31G96.1Very high92.4Very high44 Ų4451.3 Ų51.345%0.45430%0.304SS..Hα-helixtrans-67.5-49.6179.300000111.3D29 C34 S35D29-G31 VanDerWaalsContact C-N 3.27Å; D29-G31 PolarHBondContact O-N 3.47Å; D29-G31 PolarHBondContact OD1-N 2.92Å; G31-C34 PolarHBondContact O-N 2.9Å; G31-S35 WeakPolarHBondContact O-CB 3.45Å; G31-S35 PolarHBondContact O-N 3.32Å; G31-S35 PolarHBondContact O-OG 2.88Å
32A94.9Very high91.7Very high34 Ų3454.5 Ų54.528%0.28132%0.321SS..Hα-helixtrans-62.4-45.3173.500000111.2A24 D29 C34 S35 L36A24-A32 HydrophobicContact CB-CB 4.2Å; D29-A32 HydrophobicContact CB-CB 4.03Å; D29-A32 VanDerWaalsContact CG-CB 3.4Å; D29-A32 PolarHBondContact OD1-N 3.42Å; D29-A32 WeakPolarHBondContact OD2-CB 3.41Å; A32-C34 PolarHBondContact O-N 3.49Å; A32-S35 PolarHBondContact O-N 3.35Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 VanDerWaalsContact O-CG 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.39Å; A32-L36 PolarHBondContact O-N 3.02Å
33L95.5Very high90.9Very high0 Ų059 Ų590%035%0.351CS..Hα-helixtrans-56.4-50.7177177.960.7000111.3L21 A24 D29 I30 S35 L36 L37 C69 R72 L73L21-L33 HydrophobicContact CD2-CD1 3.76Å; A24-L33 HydrophobicContact CB-CB 4.08Å; D29-L33 VanDerWaalsContact O-CB 3.26Å; D29-L33 WeakPolarHBondContact O-CB 3.5Å; D29-L33 PolarHBondContact O-N 3.3Å; I30-L33 HydrophobicContact CD1-CD2 4.28Å; L33-S35 VanDerWaalsContact C-N 3.32Å; L33-S35 PolarHBondContact O-N 3.36Å; L33-L36 PolarHBondContact O-N 2.88Å; L33-L37 HydrophobicContact CD1-CD1 3.87Å; L33-L37 HydrophobicContact CD1-CD2 4.49Å; L33-L37 HydrophobicContact CD1-CG 3.98Å; L33-L37 HydrophobicContact CG-CD1 3.85Å; L33-L37 HydrophobicContact CG-CG 4.35Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 WeakPolarHBondContact O-CG 3.48Å; L33-L37 PolarHBondContact O-N 3.21Å; L33-C69 HydrophobicContact CD2-CB 3.81Å; L33-R72 HydrophobicContact CD2-CB 4.33Å; L33-R72 HydrophobicContact CD2-CG 4.49Å; L33-L73 HydrophobicContact CD1-CD2 4.13Å; L33-L73 HydrophobicContact CD2-CG 4.47Å
34C94.8Very high90.4Very high32 Ų3256.4 Ų56.422%0.21635%0.352CS..Hα-helixtrans-62.7-39.7179.8-71.30000112.2I30 G31 A32 L37 Q38I30-C34 VanDerWaalsContact O-CB 3.31Å; I30-C34 WeakPolarHBondContact O-CB 3.27Å; I30-C34 PolarHBondContact O-N 3.07Å; I30-C34 PolarHBondContact O-SG 3.36Å; G31-C34 PolarHBondContact O-N 2.9Å; A32-C34 PolarHBondContact O-N 3.49Å; C34-L37 PolarHBondContact O-N 2.95Å; C34-Q38 VanDerWaalsContact O-CG 3.27Å; C34-Q38 WeakPolarHBondContact O-CG 3.27Å; C34-Q38 PolarHBondContact O-N 2.95Å
35S94Very high89.9Confident67 Ų6759.6 Ų59.647%0.46937%0.369SS..Hα-helixtrans-65.2-42.7178-55.90000111.6G31 A32 L33 Q38 C39G31-S35 WeakPolarHBondContact O-CB 3.45Å; G31-S35 PolarHBondContact O-N 3.32Å; G31-S35 PolarHBondContact O-OG 2.88Å; A32-S35 PolarHBondContact O-N 3.35Å; L33-S35 VanDerWaalsContact C-N 3.32Å; L33-S35 PolarHBondContact O-N 3.36Å; S35-Q38 PolarHBondContact O-N 3.31Å; S35-C39 PolarHBondContact O-N 3.23Å; S35-C39 PolarHBondContact O-SG 2.81Å
36L92.6Very high89.5Confident53 Ų5360.2 Ų60.228%0.27737%0.372SS..Hα-helixtrans-65.9-43.9176.9-69.7167000111.4P20 L21 A24 A32 L33 Q38 C39 T40P20-L36 HydrophobicContact CB-CD1 3.96Å; P20-L36 HydrophobicContact CB-CD2 4.15Å; P20-L36 HydrophobicContact CG-CD2 4.38Å; L21-L36 HydrophobicContact CD2-CB 3.58Å; L21-L36 HydrophobicContact CD2-CD1 4.14Å; L21-L36 HydrophobicContact CG-CB 4.32Å; L21-L36 HydrophobicContact CG-CD1 4.5Å; A24-L36 HydrophobicContact CB-CD1 4.31Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 VanDerWaalsContact O-CG 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.39Å; A32-L36 PolarHBondContact O-N 3.02Å; L33-L36 PolarHBondContact O-N 2.88Å; L36-Q38 VanDerWaalsContact C-N 3.27Å; L36-Q38 PolarHBondContact O-N 3.28Å; L36-C39 PolarHBondContact O-N 3.43Å; L36-T40 PolarHBondContact O-N 3.44Å; L36-T40 PolarHBondContact O-OG1 3.29Å; L36-T40 VanDerWaalsContact O-OG1 3.13Å
37L91.8Very high89.3Confident21 Ų2161.1 Ų61.111%0.1139%0.39CS..Hα-helixtrans-63.5-30.3177.7-70.4175.9000113.1L21 L33 C34 C39 T40 L46 R72 L73 V76L21-L37 HydrophobicContact CD2-CD2 4.02Å; L21-L37 HydrophobicContact CD2-CG 4.25Å; L33-L37 HydrophobicContact CD1-CD1 3.87Å; L33-L37 HydrophobicContact CD1-CD2 4.49Å; L33-L37 HydrophobicContact CD1-CG 3.98Å; L33-L37 HydrophobicContact CG-CD1 3.85Å; L33-L37 HydrophobicContact CG-CG 4.35Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 WeakPolarHBondContact O-CG 3.48Å; L33-L37 PolarHBondContact O-N 3.21Å; C34-L37 PolarHBondContact O-N 2.95Å; L37-C39 VanDerWaalsContact C-N 3.31Å; L37-T40 PolarHBondContact O-N 3.35Å; L37-L46 HydrophobicContact CD2-CD2 3.31Å; L37-R72 HydrophobicContact CD1-CG 4Å; L37-L73 HydrophobicContact CD2-CD2 4.36Å; L37-V76 HydrophobicContact CD1-CG1 4.2Å; L37-V76 HydrophobicContact CD1-CG2 4.08Å; L37-V76 HydrophobicContact CD2-CG2 4.11Å
38Q89Confident89.2Confident160 Ų16060.8 Ų60.875%0.74839%0.39SS*.Hα-helixtrans-68.3-31.8173.4-75.4170.16.300112.4C34 S35 L36C34-Q38 VanDerWaalsContact O-CG 3.27Å; C34-Q38 WeakPolarHBondContact O-CG 3.27Å; C34-Q38 PolarHBondContact O-N 2.95Å; S35-Q38 PolarHBondContact O-N 3.31Å; L36-Q38 VanDerWaalsContact C-N 3.27Å; L36-Q38 PolarHBondContact O-N 3.28Å
39C83.4Confident89.1Confident104 Ų10461.5 Ų61.570%0.70339%0.386SS*.Hα-helixtrans-83.2-19.5176.7-63.80000112.7S35 L36 L37 S41S35-C39 PolarHBondContact O-N 3.23Å; S35-C39 PolarHBondContact O-SG 2.81Å; L36-C39 PolarHBondContact O-N 3.43Å; L37-C39 VanDerWaalsContact C-N 3.31Å; C39-S41 PolarHBondContact O-N 3.21Å
40T82.5Confident88.9Confident37 Ų3757.7 Ų57.723%0.22737%0.366CS..  trans-68.2112.6176.9-63.70000110.6L36 L37 N42 D45L36-T40 PolarHBondContact O-N 3.44Å; L36-T40 PolarHBondContact O-OG1 3.29Å; L36-T40 VanDerWaalsContact O-OG1 3.13Å; L37-T40 PolarHBondContact O-N 3.35Å; T40-N42 VanDerWaalsContact CG2-O 3.26Å; T40-N42 WeakPolarHBondContact CG2-O 3.16Å; T40-D45 HydrophobicContact CG2-CB 3.81Å
41S75.4Confident88.5Confident122 Ų12259.2 Ų59.285%0.85338%0.38SS*.  trans-91.5-19.6179.5-58.60000113.1C39C39-S41 PolarHBondContact O-N 3.21Å
42N78.7Confident88Confident83 Ų8360.4 Ų60.444%0.44437%0.373SS..  trans-121125.1-176.4-171.7-8.9000111.2T40 A44 D45T40-N42 VanDerWaalsContact CG2-O 3.26Å; T40-N42 WeakPolarHBondContact CG2-O 3.16Å; N42-A44 PolarHBondContact O-N 2.95Å; N42-A44 VanDerWaalsContact O-N 3.1Å; N42-A44 WeakPolarHBondContact OD1-CB 3.26Å; N42-A44 PolarHBondContact OD1-N 2.88Å; N42-D45 WeakPolarHBondContact O-CB 3.31Å; N42-D45 PolarHBondContact O-N 2.89Å; N42-D45 VanDerWaalsContact O-N 3.09Å
43P77.6Confident87.6Confident99 Ų9963.6 Ų63.664%0.64338%0.378SS*.G310 helixtrans-59.1-21174.724.4-35.5000113.8D45 L46P43-D45 PolarHBondContact O-N 2.88Å; P43-L46 WeakPolarHBondContact O-CB 3.2Å; P43-L46 PolarHBondContact O-N 3.21Å
44A82.4Confident87.5Confident53 Ų5363.7 Ų63.744%0.43838%0.38SS..G310 helixtrans-61.7-26.8175.500000113.2N42 L46 A47N42-A44 PolarHBondContact O-N 2.95Å; N42-A44 VanDerWaalsContact O-N 3.1Å; N42-A44 WeakPolarHBondContact OD1-CB 3.26Å; N42-A44 PolarHBondContact OD1-N 2.88Å; A44-L46 PolarHBondContact O-N 3.13Å; A44-A47 PolarHBondContact O-N 3.29Å
45D83.9Confident87.5Confident71 Ų7163.4 Ų63.438%0.3837%0.374SS..G310 helixtrans-65.1-25.1-179.8-63-20.7000111.9T40 N42 P43 A47 V48T40-D45 HydrophobicContact CG2-CB 3.81Å; N42-D45 WeakPolarHBondContact O-CB 3.31Å; N42-D45 PolarHBondContact O-N 2.89Å; N42-D45 VanDerWaalsContact O-N 3.09Å; P43-D45 PolarHBondContact O-N 2.88Å; D45-A47 VanDerWaalsContact C-N 3.3Å; D45-V48 WeakPolarHBondContact O-CG2 3.28Å; D45-V48 PolarHBondContact O-N 2.97Å
46L89.1Confident87.6Confident13 Ų1360.6 Ų60.67%0.06835%0.354CS..G310 helixtrans-76.9-19177.3-53.2-179.6000113.2L21 L37 P43 A44 P57 L73 V76L21-L46 HydrophobicContact CD1-CD2 4.11Å; L37-L46 HydrophobicContact CD2-CD2 3.31Å; P43-L46 WeakPolarHBondContact O-CB 3.2Å; P43-L46 PolarHBondContact O-N 3.21Å; A44-L46 PolarHBondContact O-N 3.13Å; L46-P57 WeakPolarHBondContact O-CD 3.5Å; L46-L73 HydrophobicContact CD2-CD2 4.48Å; L46-V76 HydrophobicContact CD1-CG2 3.72Å
47A91.3Very high87.8Confident67 Ų6758.1 Ų58.155%0.55434%0.341SS*.G310 helixtrans-95.21.2177.300000112.4A44 D45 E49 T56A44-A47 PolarHBondContact O-N 3.29Å; D45-A47 VanDerWaalsContact C-N 3.3Å; A47-E49 PolarHBondContact O-N 3.31Å; A47-T56 WeakPolarHBondContact O-CG2 3.42Å
48V92.3Very high88.1Confident63 Ų6357.1 Ų57.138%0.38234%0.336SS..PPolyproline II helixtrans-67.1124178.8174.90000109.9F19 H22 D45 T56F19-V48 HydrophobicContact CD1-CG1 4.38Å; F19-V48 HydrophobicContact CE1-CG1 3.91Å; H22-V48 PolarHBondContact CE1-O 3.39Å; H22-V48 PolarHBondContact NE2-O 2.96Å; D45-V48 WeakPolarHBondContact O-CG2 3.28Å; D45-V48 PolarHBondContact O-N 2.97Å; V48-T56 WeakPolarHBondContact O-CA 3.37Å
49E93.8Very high88.5Confident42 Ų4249.5 Ų49.520%0.19630%0.301CS..PPolyproline II helixtrans-88142.3174.2-69.5-177173.800111.3A47 W55 T56 T84 T85A47-E49 PolarHBondContact O-N 3.31Å; E49-W55 CarbonylContact C-O 3.58Å; E49-W55 WeakPolarHBondContact CA-O 3.46Å; E49-T56 HydrophobicContact CG-CG2 3.58Å; E49-T84 VanDerWaalsContact OE1-CA 3.28Å; E49-T84 WeakPolarHBondContact OE1-CA 3.37Å; E49-T85 WeakPolarHBondContact OE1-CG2 3.4Å; E49-T85 PolarHBondContact OE1-N 3.36Å; E49-T85 WeakPolarHBondContact OE2-CB 3.42Å; E49-T85 VanDerWaalsContact OE2-CG2 3.31Å; E49-T85 WeakPolarHBondContact OE2-CG2 3.33Å; E49-T85 PolarHBondContact OE2-OG1 3.3Å
50D91.2Very high89.2Confident4 Ų445.1 Ų45.12%0.02127%0.269CS..PPolyproline II helixtrans-72158.2169.67878.8000111.4F19 F52 Y53 G54 W55 W60F19-D50 HydrophobicContact CD1-CB 4.39Å; F19-D50 HydrophobicContact CD2-CB 4.25Å; F19-D50 HydrophobicContact CE1-CB 4.38Å; F19-D50 HydrophobicContact CE2-CB 4.23Å; F19-D50 HydrophobicContact CG-CB 4.32Å; F19-D50 HydrophobicContact CZ-CB 4.3Å; D50-F52 VanDerWaalsContact C-N 3.35Å; D50-F52 HydrophobicContact CB-CD2 4.41Å; D50-F52 PolarHBondContact O-N 2.96Å; D50-F52 VanDerWaalsContact OD1-CA 3.29Å; D50-F52 WeakPolarHBondContact OD1-CA 3.23Å; D50-F52 VanDerWaalsContact OD1-CB 3.28Å; D50-F52 WeakPolarHBondContact OD1-CB 3.31Å; D50-F52 PolarHBondContact OD1-N 2.73Å; D50-Y53 PolarHBondContact OD1-N 3.38Å; D50-G54 VanDerWaalsContact O-CA 3.25Å; D50-G54 WeakPolarHBondContact O-CA 3.32Å; D50-G54 PolarHBondContact O-N 2.92Å; D50-G54 VanDerWaalsContact O-N 3.1Å; D50-W55 PolarHBondContact N-O 3.49Å; D50-W55 WeakPolarHBondContact OD2-CB 3.31Å; D50-W55 PolarHBondContact OD2-N 3.25Å; D50-W55 VanDerWaalsContact OD2-O 3.07Å; D50-W60 PolarHBondContact OD2-NE1 3.23Å
51S88.4Confident90Very high75 Ų7543.3 Ų43.352%0.52426%0.258SS..THydrogen-bonded Turntrans-78.9-15.1-177.3-51.80000114.3
52F84.9Confident91Very high69 Ų6937.5 Ų37.530%0.30322%0.218SC..THydrogen-bonded Turntrans-85.9-53.4-174.1-53-79.7000111.7V14 L15 D50 R86V14-F52 HydrophobicContact CB-CE2 4.12Å; V14-F52 HydrophobicContact CB-CZ 3.62Å; V14-F52 HydrophobicContact CG1-CE2 3.82Å; V14-F52 HydrophobicContact CG1-CZ 3.57Å; V14-F52 HydrophobicContact CG2-CZ 4.2Å; L15-F52 HydrophobicContact CD2-CD2 4.13Å; L15-F52 HydrophobicContact CD2-CE2 4.07Å; L15-F52 HydrophobicContact CG-CD2 4.39Å; L15-F52 HydrophobicContact CG-CE2 4.06Å; D50-F52 VanDerWaalsContact C-N 3.35Å; D50-F52 HydrophobicContact CB-CD2 4.41Å; D50-F52 PolarHBondContact O-N 2.96Å; D50-F52 VanDerWaalsContact OD1-CA 3.29Å; D50-F52 WeakPolarHBondContact OD1-CA 3.23Å; D50-F52 VanDerWaalsContact OD1-CB 3.28Å; D50-F52 WeakPolarHBondContact OD1-CB 3.31Å; D50-F52 PolarHBondContact OD1-N 2.73Å; F52-R86 PolarHBondContact O-NH1 3.14Å; F52-R86 PolarHBondContact O-NH2 3.22Å
53Y87.6Confident92Very high100 Ų10034.9 Ų34.939%0.39220%0.202SC..THydrogen-bonded Turntrans-108-16.1-174.5-61-68.4000113.1D50 W55 W60 R86D50-Y53 PolarHBondContact OD1-N 3.38Å; Y53-W55 HydrophobicContact CG-CD2 4.34Å; Y53-W55 HydrophobicContact CG-CE3 4.28Å; Y53-W55 HydrophobicContact CG-CZ3 4.48Å; Y53-W60 HydrophobicContact CD2-CH2 4.1Å; Y53-W60 AromaticContact CD2-CZ2 3.66Å; Y53-W60 HydrophobicContact CD2-CZ2 3.66Å; Y53-W60 HydrophobicContact CE2-CH2 4.02Å; Y53-W60 HydrophobicContact CE2-CZ2 4.04Å; Y53-R86 PolarHBondContact O-NE 3.36Å; Y53-R86 PolarHBondContact O-NH2 3.47Å
54G93.3Very high92.9Very high3 Ų332.7 Ų32.73%0.03118%0.183CC..  trans66.533.5-170.800000110.4D50 T84D50-G54 VanDerWaalsContact O-CA 3.25Å; D50-G54 WeakPolarHBondContact O-CA 3.32Å; D50-G54 PolarHBondContact O-N 2.92Å; D50-G54 VanDerWaalsContact O-N 3.1Å; G54-T84 WeakPolarHBondContact O-CB 3.26Å; G54-T84 WeakPolarHBondContact O-CG2 3.23Å
55W95.3Very high93.7Very high26 Ų2631.3 Ų31.310%0.09817%0.174CC..  trans-106.2139.3-175.9-74-1.1000110.3H22 E49 D50 Y53 H59 W60 H63 I94H22-W55 PolarHBondContact CD2-O 2.87Å; H22-W55 PolarHBondContact NE2-O 3.24Å; E49-W55 CarbonylContact C-O 3.58Å; E49-W55 WeakPolarHBondContact CA-O 3.46Å; D50-W55 PolarHBondContact N-O 3.49Å; D50-W55 WeakPolarHBondContact OD2-CB 3.31Å; D50-W55 PolarHBondContact OD2-N 3.25Å; D50-W55 VanDerWaalsContact OD2-O 3.07Å; Y53-W55 HydrophobicContact CG-CD2 4.34Å; Y53-W55 HydrophobicContact CG-CE3 4.28Å; Y53-W55 HydrophobicContact CG-CZ3 4.48Å; W55-H59 HydrophobicContact CB-CB 3.81Å; W55-H59 HydrophobicContact CD2-CB 4.37Å; W55-H59 HydrophobicContact CG-CB 3.9Å; W55-W60 HydrophobicContact CE3-CD2 4.43Å; W55-W60 HydrophobicContact CE3-CG 4.49Å; W55-H63 HydrophobicContact CH2-CB 4.31Å; W55-H63 AromaticContact CH2-CD2 3.34Å; W55-H63 WeakPolarHBondContact CH2-CD2 3.46Å; W55-H63 AromaticContact CH2-CG 3.79Å; W55-H63 AromaticContact CH2-NE2 3.8Å; W55-H63 HydrophobicContact CZ3-CB 3.87Å; W55-H63 AromaticContact CZ3-CD2 3.68Å; W55-H63 AromaticContact CZ3-CG 3.6Å; W55-I94 HydrophobicContact CZ2-CD1 3.9Å
56T95.9Very high94.4Very high8 Ų831.3 Ų31.35%0.04917%0.17CC..  trans-84.3168.7169.970.60000110.4A47 V48 E49 I58 H59 W60A47-T56 WeakPolarHBondContact O-CG2 3.42Å; V48-T56 WeakPolarHBondContact O-CA 3.37Å; E49-T56 HydrophobicContact CG-CG2 3.58Å; T56-I58 PolarHBondContact O-N 2.92Å; T56-I58 VanDerWaalsContact O-N 3.16Å; T56-I58 VanDerWaalsContact OG1-CG2 3.31Å; T56-I58 WeakPolarHBondContact OG1-CG2 3.43Å; T56-H59 PolarHBondContact N-ND1 3.42Å; T56-H59 WeakPolarHBondContact O-CB 3.36Å; T56-H59 PolarHBondContact O-N 3.06Å; T56-H59 PolarHBondContact OG1-CE1 3.06Å; T56-H59 PolarHBondContact OG1-ND1 3.46Å; T56-W60 PolarHBondContact O-N 2.88Å
57P96.4Very high94.8Very high0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-54.6-36.1-179.6-27.435.4000114L21 C25 L46 H59 W60 A61 L73L21-P57 HydrophobicContact CB-CB 4.29Å; L21-P57 HydrophobicContact CB-CG 3.85Å; C25-P57 HydrophobicContact CB-CB 4.5Å; C25-P57 WeakPolarHBondContact CB-O 3.32Å; L46-P57 WeakPolarHBondContact O-CD 3.5Å; P57-H59 VanDerWaalsContact C-N 3.33Å; P57-H59 PolarHBondContact O-N 3.26Å; P57-W60 PolarHBondContact O-N 2.92Å; P57-A61 PolarHBondContact O-N 3.18Å; P57-L73 HydrophobicContact CB-CD1 4.11Å; P57-L73 HydrophobicContact CB-CD2 4.36Å
58I97.8Very high95.1Very high1 Ų136.6 Ų36.61%0.00519%0.185CC..Hα-helixtrans-68.5-32178.4-170.1168.6000112.4T56 A61 A62 V70 L73 V74 C78 P91T56-I58 PolarHBondContact O-N 2.92Å; T56-I58 VanDerWaalsContact O-N 3.16Å; T56-I58 VanDerWaalsContact OG1-CG2 3.31Å; T56-I58 WeakPolarHBondContact OG1-CG2 3.43Å; I58-A61 PolarHBondContact O-N 3.37Å; I58-A62 VanDerWaalsContact O-CB 3.26Å; I58-A62 WeakPolarHBondContact O-CB 3.45Å; I58-A62 PolarHBondContact O-N 3.45Å; I58-V70 HydrophobicContact CD1-CG1 4.42Å; I58-V70 HydrophobicContact CG1-CG1 4.41Å; I58-L73 VanDerWaalsContact CA-CD1 3.49Å; I58-L73 HydrophobicContact CB-CD1 3.82Å; I58-L73 HydrophobicContact CG1-CD1 4.38Å; I58-V74 HydrophobicContact CD1-CG2 3.58Å; I58-C78 HydrophobicContact CD1-CB 4.25Å; I58-P91 HydrophobicContact CD1-CB 4.49Å; I58-P91 HydrophobicContact CD1-CG 4.05Å; I58-P91 HydrophobicContact CG1-CB 4.25Å; I58-P91 HydrophobicContact CG1-CG 4Å; I58-P91 HydrophobicContact CG2-CG 3.95Å
59H98.2Very high95.4Very high0 Ų033.6 Ų33.60%017%0.167CC..Hα-helixtrans-70.1-40.3174.8-64.799.5000110.8W55 T56 P57 A62 H63 S82 Q89 P91 I94W55-H59 HydrophobicContact CB-CB 3.81Å; W55-H59 HydrophobicContact CD2-CB 4.37Å; W55-H59 HydrophobicContact CG-CB 3.9Å; T56-H59 PolarHBondContact N-ND1 3.42Å; T56-H59 WeakPolarHBondContact O-CB 3.36Å; T56-H59 PolarHBondContact O-N 3.06Å; T56-H59 PolarHBondContact OG1-CE1 3.06Å; T56-H59 PolarHBondContact OG1-ND1 3.46Å; P57-H59 VanDerWaalsContact C-N 3.33Å; P57-H59 PolarHBondContact O-N 3.26Å; H59-A62 PolarHBondContact O-N 2.87Å; H59-H63 WeakPolarHBondContact O-CB 3.29Å; H59-H63 PolarHBondContact O-N 3.08Å; H59-S82 PolarHBondContact NE2-O 3.45Å; H59-Q89 PolarHBondContact NE2-O 3.34Å; H59-Q89 VanDerWaalsContact NE2-O 3.12Å; H59-P91 WeakPolarHBondContact NE2-CD 3.48Å; H59-I94 HydrophobicContact CB-CG1 4.39Å; H59-I94 WeakPolarHBondContact O-CG2 3.31Å
60W97.5Very high95.6Very high11 Ų1131.6 Ų31.64%0.04216%0.158CC..Hα-helixtrans-59.9-50.1170.9-81.384.2000111.5L15 H22 C25 R26 D50 Y53 W55 T56 P57 A62 H63 F64L15-W60 HydrophobicContact CD1-CH2 3.74Å; L15-W60 HydrophobicContact CD1-CZ2 4.09Å; L15-W60 HydrophobicContact CD2-CZ2 4.05Å; H22-W60 HydrophobicContact CB-CG 4.28Å; H22-W60 AromaticContact CD2-CD1 3.48Å; H22-W60 VanDerWaalsContact CD2-CD1 3.48Å; H22-W60 AromaticContact CD2-NE1 3.61Å; C25-W60 HydrophobicContact CB-CB 4.23Å; R26-W60 HydrophobicContact CB-CE3 3.68Å; R26-W60 HydrophobicContact CB-CZ3 4.15Å; R26-W60 VanDerWaalsContact CD-CZ3 3.47Å; R26-W60 HydrophobicContact CG-CE3 3.74Å; R26-W60 HydrophobicContact CG-CZ3 3.8Å; D50-W60 PolarHBondContact OD2-NE1 3.23Å; Y53-W60 HydrophobicContact CD2-CH2 4.1Å; Y53-W60 AromaticContact CD2-CZ2 3.66Å; Y53-W60 HydrophobicContact CD2-CZ2 3.66Å; Y53-W60 HydrophobicContact CE2-CH2 4.02Å; Y53-W60 HydrophobicContact CE2-CZ2 4.04Å; W55-W60 HydrophobicContact CE3-CD2 4.43Å; W55-W60 HydrophobicContact CE3-CG 4.49Å; T56-W60 PolarHBondContact O-N 2.88Å; P57-W60 PolarHBondContact O-N 2.92Å; W60-A62 VanDerWaalsContact C-N 3.29Å; W60-A62 PolarHBondContact O-N 2.72Å; W60-H63 PolarHBondContact O-N 3.11Å; W60-F64 HydrophobicContact CD2-CE2 4.5Å; W60-F64 AromaticContact CE3-CD2 3.96Å; W60-F64 HydrophobicContact CE3-CD2 3.96Å; W60-F64 AromaticContact CE3-CE2 3.37Å; W60-F64 HydrophobicContact CE3-CE2 3.37Å; W60-F64 HydrophobicContact CE3-CZ 4.31Å; W60-F64 HydrophobicContact CZ3-CD2 4.5Å; W60-F64 AromaticContact CZ3-CE2 3.52Å; W60-F64 HydrophobicContact CZ3-CE2 3.52Å; W60-F64 HydrophobicContact CZ3-CZ 4.03Å; W60-F64 WeakPolarHBondContact O-CD2 3.14Å; W60-F64 PolarHBondContact O-N 2.92Å; W60-F64 VanDerWaalsContact O-N 3.14Å
61A98.3Very high96Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-57.3-42.6177.400000112.2C25 P57 I58 G65 K66 C69 V70 L73C25-A61 HydrophobicContact CB-CB 3.95Å; P57-A61 PolarHBondContact O-N 3.18Å; I58-A61 PolarHBondContact O-N 3.37Å; A61-G65 PolarHBondContact O-N 2.99Å; A61-G65 VanDerWaalsContact O-N 3.12Å; A61-K66 HydrophobicContact CB-CB 4.37Å; A61-K66 PolarHBondContact O-N 2.92Å; A61-C69 HydrophobicContact CB-CB 3.69Å; A61-V70 HydrophobicContact CB-CG2 3.61Å; A61-L73 HydrophobicContact CB-CD1 4.38Å
62A98.5Very high96.4Very high0 Ų033.7 Ų33.70%016%0.157CC..Hα-helixtrans-65.2-42.2177.100000112.6I58 H59 W60 F64 G65 V70 P91 I94 A95 H100I58-A62 VanDerWaalsContact O-CB 3.26Å; I58-A62 WeakPolarHBondContact O-CB 3.45Å; I58-A62 PolarHBondContact O-N 3.45Å; H59-A62 PolarHBondContact O-N 2.87Å; W60-A62 VanDerWaalsContact C-N 3.29Å; W60-A62 PolarHBondContact O-N 2.72Å; A62-F64 VanDerWaalsContact C-N 3.29Å; A62-F64 PolarHBondContact O-N 2.84Å; A62-G65 PolarHBondContact O-N 3.18Å; A62-V70 HydrophobicContact CB-CG2 4.44Å; A62-P91 HydrophobicContact CB-CB 4.25Å; A62-I94 HydrophobicContact CB-CB 4.41Å; A62-I94 HydrophobicContact CB-CG2 4.38Å; A62-A95 HydrophobicContact CB-CB 4.15Å; A62-H100 PolarHBondContact O-CD2 3.3Å
63H98Very high96.9Very high27 Ų2730.4 Ų30.413%0.12514%0.142CC..Hα-helixtrans-64-33.2-179.8-176.2-93.8000112.9W55 H59 W60 I94 H100W55-H63 HydrophobicContact CH2-CB 4.31Å; W55-H63 AromaticContact CH2-CD2 3.34Å; W55-H63 WeakPolarHBondContact CH2-CD2 3.46Å; W55-H63 AromaticContact CH2-CG 3.79Å; W55-H63 AromaticContact CH2-NE2 3.8Å; W55-H63 HydrophobicContact CZ3-CB 3.87Å; W55-H63 AromaticContact CZ3-CD2 3.68Å; W55-H63 AromaticContact CZ3-CG 3.6Å; H59-H63 WeakPolarHBondContact O-CB 3.29Å; H59-H63 PolarHBondContact O-N 3.08Å; W60-H63 PolarHBondContact O-N 3.11Å; H63-I94 HydrophobicContact CB-CG2 3.46Å; H63-I94 VanDerWaalsContact CB-CG2 3.46Å; H63-H100 PolarHBondContact O-CD2 3.42Å; H63-H100 VanDerWaalsContact O-CD2 3.23Å; H63-H100 PolarHBondContact O-NE2 3.19Å
64F97.6Very high97.4Very high53 Ų5327 Ų2723%0.23213%0.132CC..THydrogen-bonded Turntrans-102.59.5-178.6-70.3-84.4000113.4R26 W60 A62 K66 H100R26-F64 HydrophobicContact CB-CD2 4.32Å; R26-F64 HydrophobicContact CB-CE2 4.47Å; R26-F64 HydrophobicContact CG-CD1 4.3Å; R26-F64 HydrophobicContact CG-CD2 3.76Å; R26-F64 HydrophobicContact CG-CE1 4.14Å; R26-F64 HydrophobicContact CG-CE2 3.64Å; R26-F64 HydrophobicContact CG-CG 4.11Å; R26-F64 HydrophobicContact CG-CZ 3.81Å; W60-F64 HydrophobicContact CD2-CE2 4.5Å; W60-F64 AromaticContact CE3-CD2 3.96Å; W60-F64 HydrophobicContact CE3-CD2 3.96Å; W60-F64 AromaticContact CE3-CE2 3.37Å; W60-F64 HydrophobicContact CE3-CE2 3.37Å; W60-F64 HydrophobicContact CE3-CZ 4.31Å; W60-F64 HydrophobicContact CZ3-CD2 4.5Å; W60-F64 AromaticContact CZ3-CE2 3.52Å; W60-F64 HydrophobicContact CZ3-CE2 3.52Å; W60-F64 HydrophobicContact CZ3-CZ 4.03Å; W60-F64 WeakPolarHBondContact O-CD2 3.14Å; W60-F64 PolarHBondContact O-N 2.92Å; W60-F64 VanDerWaalsContact O-N 3.14Å; A62-F64 VanDerWaalsContact C-N 3.29Å; A62-F64 PolarHBondContact O-N 2.84Å; F64-K66 VanDerWaalsContact C-N 3.28Å; F64-K66 HydrophobicContact CB-CG 4.13Å; F64-K66 WeakPolarHBondContact O-CD 3.4Å; F64-K66 WeakPolarHBondContact O-CE 3.39Å; F64-K66 PolarHBondContact O-N 3.09Å; F64-H100 VanDerWaalsContact C-NE2 3.34Å
65G97.9Very high97.4Very high24 Ų2432.8 Ų32.825%0.24716%0.158CC..THydrogen-bonded Turntrans69.123.7173.500000114.2A61 A62 L67 H100A61-G65 PolarHBondContact O-N 2.99Å; A61-G65 VanDerWaalsContact O-N 3.12Å; A62-G65 PolarHBondContact O-N 3.18Å; G65-L67 VanDerWaalsContact C-N 3.31Å; G65-L67 PolarHBondContact O-N 3.15Å; G65-H100 WeakPolarHBondContact CA-CD2 3.22Å; G65-H100 PolarHBondContact N-CD2 2.77Å; G65-H100 PolarHBondContact N-NE2 2.98Å
66K98.5Very high97.3Very high71 Ų7134.1 Ų34.131%0.30917%0.169SC..  trans-83.375-177.3-52.5-50.9-175.81770110.4C25 R26 A61 F64 E68 C69 V70C25-K66 WeakPolarHBondContact O-CG 3.5Å; R26-K66 WeakPolarHBondContact O-CE 3.45Å; A61-K66 HydrophobicContact CB-CB 4.37Å; A61-K66 PolarHBondContact O-N 2.92Å; F64-K66 VanDerWaalsContact C-N 3.28Å; F64-K66 HydrophobicContact CB-CG 4.13Å; F64-K66 WeakPolarHBondContact O-CD 3.4Å; F64-K66 WeakPolarHBondContact O-CE 3.39Å; F64-K66 PolarHBondContact O-N 3.09Å; K66-E68 VanDerWaalsContact C-N 3.28Å; K66-E68 PolarHBondContact O-N 3.45Å; K66-C69 HydrophobicContact CB-CB 3.88Å; K66-C69 WeakPolarHBondContact O-CA 3.34Å; K66-C69 WeakPolarHBondContact O-CB 3.45Å; K66-C69 PolarHBondContact O-N 2.8Å; K66-V70 PolarHBondContact O-N 3.19Å
67L98.4Very high97.1Very high55 Ų5536.6 Ų36.629%0.28820%0.197SC..Hα-helixtrans-54.6-42.1-175174.861.3000113G65 C69 V70 T71 E102 C103 W106G65-L67 VanDerWaalsContact C-N 3.31Å; G65-L67 PolarHBondContact O-N 3.15Å; L67-C69 VanDerWaalsContact C-N 3.3Å; L67-C69 PolarHBondContact O-N 2.93Å; L67-V70 PolarHBondContact O-N 3.49Å; L67-T71 WeakPolarHBondContact O-CB 3.36Å; L67-T71 PolarHBondContact O-N 3.4Å; L67-T71 PolarHBondContact O-OG1 3.31Å; L67-E102 HydrophobicContact CD2-CB 4.28Å; L67-C103 WeakPolarHBondContact CA-SG 3.47Å; L67-C103 PolarHBondContact N-SG 3.35Å; L67-C103 VanDerWaalsContact N-SG 3.42Å; L67-W106 HydrophobicContact CD1-CB 3.47Å; L67-W106 VanDerWaalsContact CD1-CB 3.47Å; L67-W106 HydrophobicContact CD1-CD2 4.19Å; L67-W106 HydrophobicContact CD1-CG 3.6Å
68E98.4Very high97Very high136 Ų13637.2 Ų37.264%0.63620%0.201SC*.Hα-helixtrans-63.3-38178.2-66.4-172.1-178.900111.6I30 K66 T71 R72I30-E68 VanDerWaalsContact CD1-C 3.42Å; I30-E68 HydrophobicContact CD1-CB 3.47Å; I30-E68 VanDerWaalsContact CD1-CB 3.47Å; I30-E68 HydrophobicContact CG1-CB 3.84Å; K66-E68 VanDerWaalsContact C-N 3.28Å; K66-E68 PolarHBondContact O-N 3.45Å; E68-T71 PolarHBondContact O-N 3.32Å; E68-R72 WeakPolarHBondContact O-CB 3.43Å; E68-R72 PolarHBondContact O-N 3.46Å
69C98.3Very high96.8Very high1 Ų138.9 Ų38.91%0.00722%0.218CC..Hα-helixtrans-67.2-46.1176.5-64.40000110.4I30 L33 A61 K66 L67 T71 R72 L73I30-C69 HydrophobicContact CD1-CB 4.12Å; I30-C69 VanDerWaalsContact CD1-N 3.31Å; I30-C69 WeakPolarHBondContact CD1-SG 3.35Å; L33-C69 HydrophobicContact CD2-CB 3.81Å; A61-C69 HydrophobicContact CB-CB 3.69Å; K66-C69 HydrophobicContact CB-CB 3.88Å; K66-C69 WeakPolarHBondContact O-CA 3.34Å; K66-C69 WeakPolarHBondContact O-CB 3.45Å; K66-C69 PolarHBondContact O-N 2.8Å; L67-C69 VanDerWaalsContact C-N 3.3Å; L67-C69 PolarHBondContact O-N 2.93Å; C69-T71 VanDerWaalsContact C-N 3.33Å; C69-T71 PolarHBondContact O-N 3.02Å; C69-R72 PolarHBondContact O-N 3.48Å; C69-L73 WeakPolarHBondContact O-CB 3.41Å; C69-L73 VanDerWaalsContact O-CG 3.25Å; C69-L73 WeakPolarHBondContact O-CG 3.35Å; C69-L73 PolarHBondContact O-N 2.97Å
70V98.3Very high96.7Very high0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-55.9-50.5175.8173.50000110.3I58 A61 A62 K66 L67 R72 L73 V74 W106 L107I58-V70 HydrophobicContact CD1-CG1 4.42Å; I58-V70 HydrophobicContact CG1-CG1 4.41Å; A61-V70 HydrophobicContact CB-CG2 3.61Å; A62-V70 HydrophobicContact CB-CG2 4.44Å; K66-V70 PolarHBondContact O-N 3.19Å; L67-V70 PolarHBondContact O-N 3.49Å; V70-R72 VanDerWaalsContact C-N 3.34Å; V70-R72 PolarHBondContact O-N 3.05Å; V70-L73 PolarHBondContact O-N 2.88Å; V70-V74 WeakPolarHBondContact O-CG2 3.48Å; V70-V74 PolarHBondContact O-N 2.71Å; V70-W106 HydrophobicContact CG1-CE3 3.99Å; V70-W106 HydrophobicContact CG1-CZ3 4.04Å; V70-L107 HydrophobicContact CG1-CD1 4.46Å; V70-L107 HydrophobicContact CG1-CD2 3.64Å; V70-L107 HydrophobicContact CG1-CG 3.97Å
71T98.1Very high96.7Very high28 Ų2842.7 Ų42.717%0.17224%0.24CC..Hα-helixtrans-58.6-47.4179.6-59.70000110.8L67 E68 C69 V74 Q75 W106L67-T71 WeakPolarHBondContact O-CB 3.36Å; L67-T71 PolarHBondContact O-N 3.4Å; L67-T71 PolarHBondContact O-OG1 3.31Å; E68-T71 PolarHBondContact O-N 3.32Å; C69-T71 VanDerWaalsContact C-N 3.33Å; C69-T71 PolarHBondContact O-N 3.02Å; T71-V74 PolarHBondContact O-N 2.95Å; T71-Q75 VanDerWaalsContact O-CG 3.29Å; T71-Q75 WeakPolarHBondContact O-CG 3.23Å; T71-Q75 PolarHBondContact O-N 3.4Å; T71-W106 HydrophobicContact CG2-CH2 4.37Å; T71-W106 HydrophobicContact CG2-CZ2 3.69Å
72R97.3Very high96.6Very high94 Ų9444.8 Ų44.836%0.35525%0.254SS..Hα-helixtrans-65.4-42.2-178.3-173.264.1-169.1161.91.2112.3L33 L37 E68 C69 V70 Q75 V76L33-R72 HydrophobicContact CD2-CB 4.33Å; L33-R72 HydrophobicContact CD2-CG 4.49Å; L37-R72 HydrophobicContact CD1-CG 4Å; E68-R72 WeakPolarHBondContact O-CB 3.43Å; E68-R72 PolarHBondContact O-N 3.46Å; C69-R72 PolarHBondContact O-N 3.48Å; V70-R72 VanDerWaalsContact C-N 3.34Å; V70-R72 PolarHBondContact O-N 3.05Å; R72-Q75 WeakPolarHBondContact O-CB 3.28Å; R72-Q75 PolarHBondContact O-N 3.14Å; R72-V76 PolarHBondContact O-N 3.49Å
73L96.6Very high96.5Very high0 Ų047.9 Ų47.90%027%0.273CS..Hα-helixtrans-61-43.9177.1-75.6171.6000111.8L33 L37 L46 P57 I58 A61 C69 V70 Q75 V76 G77 C78L33-L73 HydrophobicContact CD1-CD2 4.13Å; L33-L73 HydrophobicContact CD2-CG 4.47Å; L37-L73 HydrophobicContact CD2-CD2 4.36Å; L46-L73 HydrophobicContact CD2-CD2 4.48Å; P57-L73 HydrophobicContact CB-CD1 4.11Å; P57-L73 HydrophobicContact CB-CD2 4.36Å; I58-L73 VanDerWaalsContact CA-CD1 3.49Å; I58-L73 HydrophobicContact CB-CD1 3.82Å; I58-L73 HydrophobicContact CG1-CD1 4.38Å; A61-L73 HydrophobicContact CB-CD1 4.38Å; C69-L73 WeakPolarHBondContact O-CB 3.41Å; C69-L73 VanDerWaalsContact O-CG 3.25Å; C69-L73 WeakPolarHBondContact O-CG 3.35Å; C69-L73 PolarHBondContact O-N 2.97Å; V70-L73 PolarHBondContact O-N 2.88Å; L73-Q75 PolarHBondContact O-N 3.19Å; L73-V76 WeakPolarHBondContact O-CG2 3.49Å; L73-V76 PolarHBondContact O-N 3.3Å; L73-G77 PolarHBondContact O-N 3.45Å; L73-C78 HydrophobicContact CB-CB 4.21Å; L73-C78 WeakPolarHBondContact O-CB 3.43Å; L73-C78 PolarHBondContact O-N 3.35Å; L73-C78 PolarHBondContact O-SG 3Å; L73-C78 VanDerWaalsContact O-SG 3.35Å
74V96.1Very high96.4Very high30 Ų3046.6 Ų46.618%0.18227%0.267CS..Hα-helixtrans-65.7-38.8176.6173.30000111.5I58 V70 T71 V76 G77 V80 W106I58-V74 HydrophobicContact CD1-CG2 3.58Å; V70-V74 WeakPolarHBondContact O-CG2 3.48Å; V70-V74 PolarHBondContact O-N 2.71Å; T71-V74 PolarHBondContact O-N 2.95Å; V74-V76 VanDerWaalsContact C-N 3.27Å; V74-V76 PolarHBondContact O-N 3.13Å; V74-G77 PolarHBondContact O-N 3.02Å; V74-V80 HydrophobicContact CB-CG2 4.43Å; V74-V80 HydrophobicContact CG1-CG2 3.61Å; V74-V80 HydrophobicContact CG2-CG2 3.88Å; V74-W106 HydrophobicContact CB-CH2 3.8Å; V74-W106 HydrophobicContact CB-CZ3 4.1Å; V74-W106 HydrophobicContact CG1-CH2 3.88Å; V74-W106 HydrophobicContact CG1-CZ3 4.33Å; V74-W106 HydrophobicContact CG2-CH2 4.16Å; V74-W106 HydrophobicContact CG2-CZ3 3.92Å
75Q94.7Very high96.3Very high123 Ų12348.6 Ų48.658%0.57528%0.284SS*.Hα-helixtrans-60.9-32.5176-74.6172.3-0.700113.7T71 R72 L73 G77T71-Q75 VanDerWaalsContact O-CG 3.29Å; T71-Q75 WeakPolarHBondContact O-CG 3.23Å; T71-Q75 PolarHBondContact O-N 3.4Å; R72-Q75 WeakPolarHBondContact O-CB 3.28Å; R72-Q75 PolarHBondContact O-N 3.14Å; L73-Q75 PolarHBondContact O-N 3.19Å; Q75-G77 VanDerWaalsContact C-N 3.27Å
76V93.1Very high96.1Very high54 Ų5451.8 Ų51.833%0.32729%0.289SS..THydrogen-bonded Turntrans-87.14.8176.9-60.10000113.2L37 L46 R72 L73 V74L37-V76 HydrophobicContact CD1-CG1 4.2Å; L37-V76 HydrophobicContact CD1-CG2 4.08Å; L37-V76 HydrophobicContact CD2-CG2 4.11Å; L46-V76 HydrophobicContact CD1-CG2 3.72Å; R72-V76 PolarHBondContact O-N 3.49Å; L73-V76 WeakPolarHBondContact O-CG2 3.49Å; L73-V76 PolarHBondContact O-N 3.3Å; V74-V76 VanDerWaalsContact C-N 3.27Å; V74-V76 PolarHBondContact O-N 3.13Å
77G91.1Very high96Very high61 Ų6152.1 Ų52.163%0.62929%0.29SS*.THydrogen-bonded Turntrans107.99.7171.100000115.8L73 V74 Q75 G79L73-G77 PolarHBondContact O-N 3.45Å; V74-G77 PolarHBondContact O-N 3.02Å; Q75-G77 VanDerWaalsContact C-N 3.27Å; G77-G79 PolarHBondContact O-N 3.41Å
78C93.8Very high95.9Very high12 Ų1249.9 Ų49.98%0.08128%0.279CS..  trans-61.7129.7170-70.60000110.6I58 L73 V80I58-C78 HydrophobicContact CD1-CB 4.25Å; L73-C78 HydrophobicContact CB-CB 4.21Å; L73-C78 WeakPolarHBondContact O-CB 3.43Å; L73-C78 PolarHBondContact O-N 3.35Å; L73-C78 PolarHBondContact O-SG 3Å; L73-C78 VanDerWaalsContact O-SG 3.35Å; C78-V80 PolarHBondContact O-N 2.84Å
79G93.9Very high95.9Very high36 Ų3644.5 Ų44.537%0.37125%0.254SS..  trans-65.1124175.300000111.2G77 N81 S82G77-G79 PolarHBondContact O-N 3.41Å; G79-N81 PolarHBondContact O-N 3.46Å; G79-S82 WeakPolarHBondContact CA-OG 3.36Å; G79-S82 VanDerWaalsContact O-CB 3.31Å; G79-S82 WeakPolarHBondContact O-CB 3.35Å; G79-S82 PolarHBondContact O-N 2.98Å; G79-S82 PolarHBondContact O-OG 3.45Å
80V96.8Very high95.9Very high18 Ų1844.5 Ų44.511%0.10925%0.254CS..THydrogen-bonded Turntrans-59.6-32.7177.3174.50000112V74 C78 P91 L107 A110 A112V74-V80 HydrophobicContact CB-CG2 4.43Å; V74-V80 HydrophobicContact CG1-CG2 3.61Å; V74-V80 HydrophobicContact CG2-CG2 3.88Å; C78-V80 PolarHBondContact O-N 2.84Å; V80-P91 WeakPolarHBondContact O-CD 3.48Å; V80-L107 HydrophobicContact CG1-CD2 4.15Å; V80-A110 HydrophobicContact CG1-CB 4.26Å; V80-A110 HydrophobicContact CG2-CB 3.91Å; V80-A112 HydrophobicContact CG1-CB 3.61Å
81N96.9Very high95.9Very high74 Ų7444.5 Ų44.540%0.39625%0.254SS..THydrogen-bonded Turntrans-100.823177.6-67-61.2000112.9G79 V83 G111 A112 D113G79-N81 PolarHBondContact O-N 3.46Å; N81-V83 PolarHBondContact O-N 2.95Å; N81-G111 PolarHBondContact ND2-O 3.33Å; N81-A112 VanDerWaalsContact OD1-CA 3.29Å; N81-A112 WeakPolarHBondContact OD1-CA 3.44Å; N81-D113 PolarHBondContact OD1-N 2.96Å
82S95.3Very high95.9Very high43 Ų4343.2 Ų43.230%0.30125%0.246SC..  trans-57.6140.3173.4-59.20000109.4H59 G79 T90 P91H59-S82 PolarHBondContact NE2-O 3.45Å; G79-S82 WeakPolarHBondContact CA-OG 3.36Å; G79-S82 VanDerWaalsContact O-CB 3.31Å; G79-S82 WeakPolarHBondContact O-CB 3.35Å; G79-S82 PolarHBondContact O-N 2.98Å; G79-S82 PolarHBondContact O-OG 3.45Å; S82-T90 WeakPolarHBondContact O-CA 3.27Å; S82-P91 WeakPolarHBondContact O-CD 3.32Å
83V97Very high96Very high65 Ų6538.7 Ų38.739%0.39423%0.229SC..  trans-116.2143.9-178.3-67.80000110.5N81 Q89 T90N81-V83 PolarHBondContact O-N 2.95Å; V83-Q89 CarbonylContact C-O 3.53Å; V83-Q89 VanDerWaalsContact CA-O 3.32Å; V83-Q89 WeakPolarHBondContact CA-O 3.49Å; V83-T90 HydrophobicContact CG1-CG2 3.8Å
84T96.8Very high96.1Very high1 Ų138.9 Ų38.91%0.00623%0.23CC..  trans-70.9142.2171.961.50000110.9E49 G54 R86 A88 Q89E49-T84 VanDerWaalsContact OE1-CA 3.28Å; E49-T84 WeakPolarHBondContact OE1-CA 3.37Å; G54-T84 WeakPolarHBondContact O-CB 3.26Å; G54-T84 WeakPolarHBondContact O-CG2 3.23Å; T84-R86 VanDerWaalsContact C-N 3.27Å; T84-R86 PolarHBondContact O-N 3.3Å; T84-A88 WeakPolarHBondContact O-CA 3.17Å; T84-A88 PolarHBondContact O-N 3.24Å; T84-Q89 HydrophobicContact CG2-CB 4.48Å; T84-Q89 PolarHBondContact N-O 2.64Å; T84-Q89 PolarHBondContact OG1-N 2.99Å; T84-Q89 VanDerWaalsContact OG1-N 3.1Å
85T95.4Very high96.2Very high94 Ų9437.4 Ų37.458%0.57722%0.221SC*.THydrogen-bonded Turntrans-64.3-32.7-179.359.30000113E49 Y119E49-T85 WeakPolarHBondContact OE1-CG2 3.4Å; E49-T85 PolarHBondContact OE1-N 3.36Å; E49-T85 WeakPolarHBondContact OE2-CB 3.42Å; E49-T85 VanDerWaalsContact OE2-CG2 3.31Å; E49-T85 WeakPolarHBondContact OE2-CG2 3.33Å; E49-T85 PolarHBondContact OE2-OG1 3.3Å; T85-Y119 WeakPolarHBondContact O-CE2 3.32Å
86R93.7Very high96.4Very high92 Ų9231.6 Ų31.635%0.34719%0.194SC..THydrogen-bonded Turntrans-80.4-36.2-170.6-57.8-158.4-61.4-170.824.4114F52 Y53 T84 Y119F52-R86 PolarHBondContact O-NH1 3.14Å; F52-R86 PolarHBondContact O-NH2 3.22Å; Y53-R86 PolarHBondContact O-NE 3.36Å; Y53-R86 PolarHBondContact O-NH2 3.47Å; T84-R86 VanDerWaalsContact C-N 3.27Å; T84-R86 PolarHBondContact O-N 3.3Å; R86-Y119 WeakPolarHBondContact O-CD2 3.48Å
87F95.3Very high96.7Very high78 Ų7830.5 Ų30.534%0.34219%0.185SC..THydrogen-bonded Turntrans-130.71-175-63-66.9000113.8Q89 D118 Y119 F359F87-Q89 HydrophobicContact CB-CG 3.79Å; F87-Q89 PolarHBondContact O-N 3.3Å; F87-D118 VanDerWaalsContact O-CB 3.3Å; F87-D118 WeakPolarHBondContact O-CB 3.41Å; F87-Y119 VanDerWaalsContact C-CD2 3.49Å; F87-Y119 PolarHBondContact O-N 3.33Å; F87-F359 HydrophobicContact CZ-CE2 4.42Å
88A97.6Very high97Very high7 Ų728.6 Ų28.66%0.05817%0.166CC..  trans54.634.9-172.300000113.9T84 Y119T84-A88 WeakPolarHBondContact O-CA 3.17Å; T84-A88 PolarHBondContact O-N 3.24Å; A88-Y119 HydrophobicContact CB-CD1 3.45Å; A88-Y119 VanDerWaalsContact CB-CD1 3.45Å; A88-Y119 HydrophobicContact CB-CD2 4.09Å; A88-Y119 HydrophobicContact CB-CE1 3.42Å; A88-Y119 VanDerWaalsContact CB-CE1 3.42Å; A88-Y119 HydrophobicContact CB-CE2 4.05Å; A88-Y119 HydrophobicContact CB-CG 3.79Å
89Q98.1Very high97.2Very high24 Ų2429.2 Ų29.211%0.11217%0.174CC..  trans-85.6135.8-179.9-70.2177.6-27.800110.4H59 V83 T84 F87 H93 I94 D118 K127H59-Q89 PolarHBondContact NE2-O 3.34Å; H59-Q89 VanDerWaalsContact NE2-O 3.12Å; V83-Q89 CarbonylContact C-O 3.53Å; V83-Q89 VanDerWaalsContact CA-O 3.32Å; V83-Q89 WeakPolarHBondContact CA-O 3.49Å; T84-Q89 HydrophobicContact CG2-CB 4.48Å; T84-Q89 PolarHBondContact N-O 2.64Å; T84-Q89 PolarHBondContact OG1-N 2.99Å; T84-Q89 VanDerWaalsContact OG1-N 3.1Å; F87-Q89 HydrophobicContact CB-CG 3.79Å; F87-Q89 PolarHBondContact O-N 3.3Å; Q89-H93 HydrophobicContact CB-CB 4.06Å; Q89-H93 HydrophobicContact CG-CB 4.32Å; Q89-I94 HydrophobicContact CB-CD1 4.02Å; Q89-I94 HydrophobicContact CB-CG1 4.45Å; Q89-I94 VanDerWaalsContact OE1-CD1 3.29Å; Q89-D118 HydrophobicContact CG-CB 3.93Å; Q89-D118 PolarHBondContact NE2-OD2 2.83Å; Q89-K127 VanDerWaalsContact NE2-CE 3.25Å; Q89-K127 VanDerWaalsContact NE2-NZ 3.19Å
90T98.4Very high97.4Very high1 Ų129.9 Ų29.91%0.00617%0.167CC..  trans-88.9166.1173.162.10000111.4S82 V83 T92 H93 I94 R116S82-T90 WeakPolarHBondContact O-CA 3.27Å; V83-T90 HydrophobicContact CG1-CG2 3.8Å; T90-T92 PolarHBondContact O-N 3.49Å; T90-T92 VanDerWaalsContact O-N 3.12Å; T90-T92 PolarHBondContact OG1-OG1 3Å; T90-H93 PolarHBondContact N-ND1 3.04Å; T90-H93 WeakPolarHBondContact O-CB 3.48Å; T90-H93 PolarHBondContact O-N 3.49Å; T90-H93 PolarHBondContact OG1-N 3.34Å; T90-H93 PolarHBondContact OG1-ND1 3.26Å; T90-I94 PolarHBondContact O-N 2.91Å; T90-R116 HydrophobicContact CG2-CG 4.17Å
91P98.5Very high97.4Very high0 Ų030 Ų300%017%0.168CC..Hα-helixtrans-52.7-33.3170.6-29.636.2000113.4I58 H59 A62 V80 S82 I94 A95 L107I58-P91 HydrophobicContact CD1-CB 4.49Å; I58-P91 HydrophobicContact CD1-CG 4.05Å; I58-P91 HydrophobicContact CG1-CB 4.25Å; I58-P91 HydrophobicContact CG1-CG 4Å; I58-P91 HydrophobicContact CG2-CG 3.95Å; H59-P91 WeakPolarHBondContact NE2-CD 3.48Å; A62-P91 HydrophobicContact CB-CB 4.25Å; V80-P91 WeakPolarHBondContact O-CD 3.48Å; S82-P91 WeakPolarHBondContact O-CD 3.32Å; P91-I94 PolarHBondContact O-N 2.95Å; P91-A95 WeakPolarHBondContact O-CB 3.2Å; P91-A95 PolarHBondContact O-N 2.86Å; P91-L107 HydrophobicContact CB-CD1 3.72Å; P91-L107 HydrophobicContact CB-CD2 4Å
92T98.6Very high97.5Very high0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-68-36.2175.846.40000113.4T90 I94 A96 L104 L107 L108 A112T90-T92 PolarHBondContact O-N 3.49Å; T90-T92 VanDerWaalsContact O-N 3.12Å; T90-T92 PolarHBondContact OG1-OG1 3Å; T92-I94 VanDerWaalsContact C-N 3.31Å; T92-A96 WeakPolarHBondContact O-CB 3.35Å; T92-A96 PolarHBondContact O-N 3.12Å; T92-L104 HydrophobicContact CG2-CD1 4.16Å; T92-L104 WeakPolarHBondContact O-CD1 3.37Å; T92-L107 HydrophobicContact CG2-CB 3.55Å; T92-L107 HydrophobicContact CG2-CD1 4.05Å; T92-L107 HydrophobicContact CG2-CG 4.41Å; T92-L108 HydrophobicContact CG2-CD2 4.32Å; T92-A112 HydrophobicContact CG2-CB 3.32Å
93H98.8Very high97.7Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-60.6-46171.3-7286.1000110.8Q89 T90 A96 F97 R116 E122 T123 K127Q89-H93 HydrophobicContact CB-CB 4.06Å; Q89-H93 HydrophobicContact CG-CB 4.32Å; T90-H93 PolarHBondContact N-ND1 3.04Å; T90-H93 WeakPolarHBondContact O-CB 3.48Å; T90-H93 PolarHBondContact O-N 3.49Å; T90-H93 PolarHBondContact OG1-N 3.34Å; T90-H93 PolarHBondContact OG1-ND1 3.26Å; H93-A96 PolarHBondContact O-N 3.03Å; H93-F97 WeakPolarHBondContact O-CB 3.42Å; H93-F97 PolarHBondContact O-N 3.31Å; H93-R116 PolarHBondContact CE1-O 2.96Å; H93-R116 PolarHBondContact NE2-O 3.39Å; H93-R116 VanDerWaalsContact NE2-O 3.08Å; H93-E122 PolarHBondContact NE2-O 3.19Å; H93-E122 VanDerWaalsContact NE2-O 3.09Å; H93-T123 WeakPolarHBondContact NE2-CA 3.41Å; H93-K127 HydrophobicContact CB-CG 4.13Å
94I98.4Very high97.7Very high3 Ų327.2 Ų27.22%0.01514%0.144CC..Hα-helixtrans-69.9-43.2-175.8-58-55000111.4W55 H59 A62 H63 Q89 T90 P91 T92 A96 F97 G98W55-I94 HydrophobicContact CZ2-CD1 3.9Å; H59-I94 HydrophobicContact CB-CG1 4.39Å; H59-I94 WeakPolarHBondContact O-CG2 3.31Å; A62-I94 HydrophobicContact CB-CB 4.41Å; A62-I94 HydrophobicContact CB-CG2 4.38Å; H63-I94 HydrophobicContact CB-CG2 3.46Å; H63-I94 VanDerWaalsContact CB-CG2 3.46Å; Q89-I94 HydrophobicContact CB-CD1 4.02Å; Q89-I94 HydrophobicContact CB-CG1 4.45Å; Q89-I94 VanDerWaalsContact OE1-CD1 3.29Å; T90-I94 PolarHBondContact O-N 2.91Å; P91-I94 PolarHBondContact O-N 2.95Å; T92-I94 VanDerWaalsContact C-N 3.31Å; I94-A96 VanDerWaalsContact C-N 3.34Å; I94-A96 PolarHBondContact O-N 3.42Å; I94-F97 PolarHBondContact O-N 3.17Å; I94-G98 PolarHBondContact O-N 2.9Å
95A98.8Very high97.8Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-62.7-39.9174.800000112.3A62 P91 G98 G99 H100 C103 L104 L107A62-A95 HydrophobicContact CB-CB 4.15Å; P91-A95 WeakPolarHBondContact O-CB 3.2Å; P91-A95 PolarHBondContact O-N 2.86Å; A95-G98 PolarHBondContact O-N 2.92Å; A95-G99 PolarHBondContact O-N 3.38Å; A95-G99 VanDerWaalsContact O-N 3.11Å; A95-H100 PolarHBondContact O-N 3.35Å; A95-C103 HydrophobicContact CB-CB 4.13Å; A95-L104 HydrophobicContact CB-CB 4.28Å; A95-L107 HydrophobicContact CB-CD1 4.27Å
96A98.8Very high98Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-65.8-40.317600000112.1T92 H93 I94 G99 L104 P124 K127 A128 L140T92-A96 WeakPolarHBondContact O-CB 3.35Å; T92-A96 PolarHBondContact O-N 3.12Å; H93-A96 PolarHBondContact O-N 3.03Å; I94-A96 VanDerWaalsContact C-N 3.34Å; I94-A96 PolarHBondContact O-N 3.42Å; A96-G99 PolarHBondContact O-N 3.31Å; A96-L104 HydrophobicContact CB-CD1 4.19Å; A96-L104 HydrophobicContact CB-CD2 4.23Å; A96-P124 HydrophobicContact CB-CB 4.25Å; A96-P124 VanDerWaalsContact CB-O 3.28Å; A96-P124 WeakPolarHBondContact CB-O 3.45Å; A96-K127 HydrophobicContact CB-CB 4.23Å; A96-A128 HydrophobicContact CB-CB 4.17Å; A96-A128 WeakPolarHBondContact O-CA 3.05Å; A96-L140 HydrophobicContact CB-CD1 4.43Å
97F98.4Very high98.2Very high31 Ų3123.8 Ų23.814%0.13612%0.124CC..Hα-helixtrans-68.2-38.2175.1-170.9-116.5000112.8H93 I94 G99 K127 R130 A131 H351H93-F97 WeakPolarHBondContact O-CB 3.42Å; H93-F97 PolarHBondContact O-N 3.31Å; I94-F97 PolarHBondContact O-N 3.17Å; F97-G99 PolarHBondContact O-N 3.5Å; F97-K127 HydrophobicContact CB-CB 4.05Å; F97-R130 HydrophobicContact CE2-CB 4.35Å; F97-A131 HydrophobicContact CD2-CB 4.28Å; F97-A131 WeakPolarHBondContact O-CB 3.3Å; F97-H351 AromaticContact CD1-CE1 3.96Å; F97-H351 AromaticContact CD1-NE2 3.6Å; F97-H351 AromaticContact CE1-CE1 3.39Å; F97-H351 WeakPolarHBondContact CE1-CE1 3.29Å; F97-H351 AromaticContact CE1-NE2 3.05Å; F97-H351 WeakPolarHBondContact CE1-NE2 3.49Å; F97-H351 AromaticContact CZ-CE1 3.48Å; F97-H351 VanDerWaalsContact CZ-CE1 3.48Å; F97-H351 WeakPolarHBondContact CZ-CE1 3.13Å; F97-H351 AromaticContact CZ-NE2 3.62Å
98G97.1Very high98.4Very high22 Ų2221 Ų2123%0.22711%0.112CC..Hα-helixtrans-72.5-9.4175.300000114I94 A95 H100I94-G98 PolarHBondContact O-N 2.9Å; A95-G98 PolarHBondContact O-N 2.92Å; G98-H100 PolarHBondContact O-CD2 3.12Å; G98-H100 PolarHBondContact O-NE2 3.26Å
99G97.9Very high98.4Very high24 Ų2427.7 Ų27.725%0.24714%0.142CC..THydrogen-bonded Turntrans71.736.5-18000000113.5A95 A96 F97 P101 S133 C136A95-G99 PolarHBondContact O-N 3.38Å; A95-G99 VanDerWaalsContact O-N 3.11Å; A96-G99 PolarHBondContact O-N 3.31Å; F97-G99 PolarHBondContact O-N 3.5Å; G99-P101 WeakPolarHBondContact O-CD 3.42Å; G99-S133 WeakPolarHBondContact CA-OG 3.36Å; G99-C136 VanDerWaalsContact C-SG 3.54Å
100H98.6Very high98.4Very high50 Ų5028.4 Ų28.423%0.23115%0.153CC..  trans-110.183.5-175.6-63-50.6000112.1A62 H63 F64 G65 A95 G98 E102 C103 L104 C136A62-H100 PolarHBondContact O-CD2 3.3Å; H63-H100 PolarHBondContact O-CD2 3.42Å; H63-H100 VanDerWaalsContact O-CD2 3.23Å; H63-H100 PolarHBondContact O-NE2 3.19Å; F64-H100 VanDerWaalsContact C-NE2 3.34Å; G65-H100 WeakPolarHBondContact CA-CD2 3.22Å; G65-H100 PolarHBondContact N-CD2 2.77Å; G65-H100 PolarHBondContact N-NE2 2.98Å; A95-H100 PolarHBondContact O-N 3.35Å; G98-H100 PolarHBondContact O-CD2 3.12Å; G98-H100 PolarHBondContact O-NE2 3.26Å; H100-E102 VanDerWaalsContact C-N 3.31Å; H100-E102 PolarHBondContact O-N 3.02Å; H100-C103 HydrophobicContact CB-CB 4.17Å; H100-C103 PolarHBondContact O-N 2.73Å; H100-L104 WeakPolarHBondContact O-CB 3.44Å; H100-L104 PolarHBondContact O-N 3.18Å; H100-C136 PolarHBondContact N-SG 2.99Å
101P98.1Very high98.4Very high20 Ų2030.8 Ų30.813%0.1318%0.177CC..Hα-helixtrans-65-31.1-172.526.6-35000113.1G99 L104 L105 D135G99-P101 WeakPolarHBondContact O-CD 3.42Å; P101-L104 PolarHBondContact O-N 3.09Å; P101-L105 WeakPolarHBondContact O-CB 3.05Å; P101-L105 VanDerWaalsContact O-CG 3.27Å; P101-L105 WeakPolarHBondContact O-CG 3.43Å; P101-L105 PolarHBondContact O-N 2.68Å; P101-D135 HydrophobicContact CB-CB 4.18Å; P101-D135 HydrophobicContact CG-CB 3.94Å
102E98.4Very high98.3Very high123 Ų12331.3 Ų31.358%0.57518%0.181SC*.Hα-helixtrans-68-46178.8-59.777.3-17000111.5L67 H100 L104 W106L67-E102 HydrophobicContact CD2-CB 4.28Å; H100-E102 VanDerWaalsContact C-N 3.31Å; H100-E102 PolarHBondContact O-N 3.02Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-W106 WeakPolarHBondContact O-CB 3.48Å; E102-W106 PolarHBondContact O-N 2.94Å
103C98.5Very high98.3Very high1 Ų134.7 Ų34.71%0.00720%0.2CC..Hα-helixtrans-61.3-44.2173.6-75.50000111L67 A95 H100 W106 L107L67-C103 WeakPolarHBondContact CA-SG 3.47Å; L67-C103 PolarHBondContact N-SG 3.35Å; L67-C103 VanDerWaalsContact N-SG 3.42Å; A95-C103 HydrophobicContact CB-CB 4.13Å; H100-C103 HydrophobicContact CB-CB 4.17Å; H100-C103 PolarHBondContact O-N 2.73Å; C103-W106 PolarHBondContact O-N 2.83Å; C103-L107 WeakPolarHBondContact O-CB 3.29Å; C103-L107 WeakPolarHBondContact O-CD1 3.47Å; C103-L107 VanDerWaalsContact O-CG 3.25Å; C103-L107 WeakPolarHBondContact O-CG 3.45Å; C103-L107 PolarHBondContact O-N 2.81Å
104L98.6Very high98.3Very high0 Ų035.9 Ų35.90%021%0.206CC..Hα-helixtrans-60.1-52.1179.5-177.661.8000111.8T92 A95 A96 H100 P101 E102 W106 L107 L108 C136 L140T92-L104 HydrophobicContact CG2-CD1 4.16Å; T92-L104 WeakPolarHBondContact O-CD1 3.37Å; A95-L104 HydrophobicContact CB-CB 4.28Å; A96-L104 HydrophobicContact CB-CD1 4.19Å; A96-L104 HydrophobicContact CB-CD2 4.23Å; H100-L104 WeakPolarHBondContact O-CB 3.44Å; H100-L104 PolarHBondContact O-N 3.18Å; P101-L104 PolarHBondContact O-N 3.09Å; E102-L104 VanDerWaalsContact C-N 3.32Å; L104-W106 VanDerWaalsContact C-N 3.34Å; L104-W106 PolarHBondContact O-N 3.25Å; L104-L107 PolarHBondContact O-N 3.02Å; L104-L108 HydrophobicContact CG-CD1 4.34Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.25Å; L104-L108 PolarHBondContact O-N 3.27Å; L104-C136 HydrophobicContact CD2-CB 3.79Å; L104-L140 HydrophobicContact CD1-CD2 4.23Å; L104-L140 HydrophobicContact CD2-CD1 3.98Å; L104-L140 HydrophobicContact CD2-CD2 4.17Å; L104-L140 HydrophobicContact CD2-CG 3.77Å; L104-L140 HydrophobicContact CG-CD2 4.39Å; L104-L140 HydrophobicContact CG-CG 4.5Å
105L98.6Very high98.3Very high52 Ų5237.3 Ų37.327%0.27221%0.213SC..Hα-helixtrans-61.6-42.5179.1-76.1171.1000111.8P101 L108 Q109 A139 Q143P101-L105 WeakPolarHBondContact O-CB 3.05Å; P101-L105 VanDerWaalsContact O-CG 3.27Å; P101-L105 WeakPolarHBondContact O-CG 3.43Å; P101-L105 PolarHBondContact O-N 2.68Å; L105-L108 PolarHBondContact O-N 3.28Å; L105-Q109 VanDerWaalsContact O-CG 3.31Å; L105-Q109 WeakPolarHBondContact O-CG 3.2Å; L105-Q109 PolarHBondContact O-N 3.42Å; L105-A139 HydrophobicContact CD1-CB 4.37Å; L105-A139 HydrophobicContact CD2-CB 3.95Å; L105-A139 HydrophobicContact CG-CB 4.07Å; L105-Q143 HydrophobicContact CD2-CG 3.81Å
106W98.7Very high98.3Very high63 Ų6343.3 Ų43.324%0.23924%0.236CC..Hα-helixtrans-63.4-44.2177.7-171.694.5000111.8L67 V70 T71 V74 E102 C103 L104 L108 Q109 A110L67-W106 HydrophobicContact CD1-CB 3.47Å; L67-W106 VanDerWaalsContact CD1-CB 3.47Å; L67-W106 HydrophobicContact CD1-CD2 4.19Å; L67-W106 HydrophobicContact CD1-CG 3.6Å; V70-W106 HydrophobicContact CG1-CE3 3.99Å; V70-W106 HydrophobicContact CG1-CZ3 4.04Å; T71-W106 HydrophobicContact CG2-CH2 4.37Å; T71-W106 HydrophobicContact CG2-CZ2 3.69Å; V74-W106 HydrophobicContact CB-CH2 3.8Å; V74-W106 HydrophobicContact CB-CZ3 4.1Å; V74-W106 HydrophobicContact CG1-CH2 3.88Å; V74-W106 HydrophobicContact CG1-CZ3 4.33Å; V74-W106 HydrophobicContact CG2-CH2 4.16Å; V74-W106 HydrophobicContact CG2-CZ3 3.92Å; E102-W106 WeakPolarHBondContact O-CB 3.48Å; E102-W106 PolarHBondContact O-N 2.94Å; C103-W106 PolarHBondContact O-N 2.83Å; L104-W106 VanDerWaalsContact C-N 3.34Å; L104-W106 PolarHBondContact O-N 3.25Å; W106-L108 VanDerWaalsContact C-N 3.31Å; W106-L108 PolarHBondContact O-N 2.91Å; W106-Q109 WeakPolarHBondContact O-CB 3.38Å; W106-Q109 PolarHBondContact O-N 3.39Å; W106-A110 HydrophobicContact CE3-CB 4.17Å; W106-A110 HydrophobicContact CH2-CB 3.99Å; W106-A110 HydrophobicContact CZ3-CB 3.77Å; W106-A110 WeakPolarHBondContact O-CB 3.47Å; W106-A110 PolarHBondContact O-N 3.05Å
107L98.6Very high98.3Very high0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-60.5-40.8176.2-75.4165.1000111.9V70 V80 P91 T92 A95 C103 L104 A110 G111 A112V70-L107 HydrophobicContact CG1-CD1 4.46Å; V70-L107 HydrophobicContact CG1-CD2 3.64Å; V70-L107 HydrophobicContact CG1-CG 3.97Å; V80-L107 HydrophobicContact CG1-CD2 4.15Å; P91-L107 HydrophobicContact CB-CD1 3.72Å; P91-L107 HydrophobicContact CB-CD2 4Å; T92-L107 HydrophobicContact CG2-CB 3.55Å; T92-L107 HydrophobicContact CG2-CD1 4.05Å; T92-L107 HydrophobicContact CG2-CG 4.41Å; A95-L107 HydrophobicContact CB-CD1 4.27Å; C103-L107 WeakPolarHBondContact O-CB 3.29Å; C103-L107 WeakPolarHBondContact O-CD1 3.47Å; C103-L107 VanDerWaalsContact O-CG 3.25Å; C103-L107 WeakPolarHBondContact O-CG 3.45Å; C103-L107 PolarHBondContact O-N 2.81Å; L104-L107 PolarHBondContact O-N 3.02Å; L107-A110 CarbonylContact O-C 3.57Å; L107-A110 PolarHBondContact O-N 3.44Å; L107-G111 PolarHBondContact O-N 2.87Å; L107-A112 HydrophobicContact CB-CB 4.26Å; L107-A112 WeakPolarHBondContact O-CB 3.36Å; L107-A112 PolarHBondContact O-N 3.31Å
108L98.4Very high98.3Very high20 Ų2046.5 Ų46.511%0.10525%0.252CS..Hα-helixtrans-63.4-43.6175.1-67.4171.4000111.8T92 L104 L105 W106 A110 G111 A112 I114 L140 Q143T92-L108 HydrophobicContact CG2-CD2 4.32Å; L104-L108 HydrophobicContact CG-CD1 4.34Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.25Å; L104-L108 PolarHBondContact O-N 3.27Å; L105-L108 PolarHBondContact O-N 3.28Å; W106-L108 VanDerWaalsContact C-N 3.31Å; W106-L108 PolarHBondContact O-N 2.91Å; L108-A110 PolarHBondContact O-N 3.48Å; L108-G111 PolarHBondContact O-N 3.35Å; L108-A112 HydrophobicContact CD2-CB 4.36Å; L108-I114 HydrophobicContact CD1-CD1 4.13Å; L108-I114 HydrophobicContact CD1-CG1 4.39Å; L108-I114 HydrophobicContact CD2-CB 3.64Å; L108-I114 HydrophobicContact CD2-CD1 4.14Å; L108-I114 HydrophobicContact CD2-CG1 3.73Å; L108-L140 HydrophobicContact CD1-CD2 4.04Å; L108-Q143 HydrophobicContact CD1-CB 4.15Å; L108-Q143 HydrophobicContact CD1-CG 4.03Å
109Q98.3Very high98.3Very high147 Ų14753.1 Ų53.169%0.68727%0.271SS*.Hα-helixtrans-62.5-32.3173.9-70.8170.4900112.3L105 W106 G111L105-Q109 VanDerWaalsContact O-CG 3.31Å; L105-Q109 WeakPolarHBondContact O-CG 3.2Å; L105-Q109 PolarHBondContact O-N 3.42Å; W106-Q109 WeakPolarHBondContact O-CB 3.38Å; W106-Q109 PolarHBondContact O-N 3.39Å; Q109-G111 PolarHBondContact O-N 2.84Å
110A97.9Very high98.2Very high40 Ų4054.5 Ų54.533%0.33127%0.274SS..THydrogen-bonded Turntrans-76.85174.500000113.8V80 W106 L107 L108V80-A110 HydrophobicContact CG1-CB 4.26Å; V80-A110 HydrophobicContact CG2-CB 3.91Å; W106-A110 HydrophobicContact CE3-CB 4.17Å; W106-A110 HydrophobicContact CH2-CB 3.99Å; W106-A110 HydrophobicContact CZ3-CB 3.77Å; W106-A110 WeakPolarHBondContact O-CB 3.47Å; W106-A110 PolarHBondContact O-N 3.05Å; L107-A110 CarbonylContact O-C 3.57Å; L107-A110 PolarHBondContact O-N 3.44Å; L108-A110 PolarHBondContact O-N 3.48Å
111G97.6Very high98.2Very high50 Ų5052.6 Ų52.652%0.51527%0.269SS..THydrogen-bonded Turntrans90.923.2175.700000114.7N81 L107 L108 Q109N81-G111 PolarHBondContact ND2-O 3.33Å; L107-G111 PolarHBondContact O-N 2.87Å; L108-G111 PolarHBondContact O-N 3.35Å; Q109-G111 PolarHBondContact O-N 2.84Å
112A98.3Very high98.2Very high11 Ų1152 Ų529%0.09126%0.264CS..  trans-64.1140.3169.300000111.4V80 N81 T92 L107 L108 I114V80-A112 HydrophobicContact CG1-CB 3.61Å; N81-A112 VanDerWaalsContact OD1-CA 3.29Å; N81-A112 WeakPolarHBondContact OD1-CA 3.44Å; T92-A112 HydrophobicContact CG2-CB 3.32Å; L107-A112 HydrophobicContact CB-CB 4.26Å; L107-A112 WeakPolarHBondContact O-CB 3.36Å; L107-A112 PolarHBondContact O-N 3.31Å; L108-A112 HydrophobicContact CD2-CB 4.36Å; A112-I114 PolarHBondContact O-N 3.04Å
113D98.3Very high98.3Very high72 Ų7246.1 Ų46.139%0.38524%0.236SC..  trans-74.1109.8173.7178.71.7000110.2N81 N115 R116N81-D113 PolarHBondContact OD1-N 2.96Å; D113-N115 PolarHBondContact O-N 3.47Å; D113-N115 PolarHBondContact OD1-N 3.05Å; D113-R116 HydrophobicContact CB-CB 3.98Å; D113-R116 PolarHBondContact O-N 3.3Å; D113-R116 PolarHBondContact OD1-N 3.46Å
114I98.4Very high98.3Very high24 Ų2446 Ų4612%0.12324%0.236CC..THydrogen-bonded Turntrans-64.9-24.1-177.9-164168.5000113.6L108 A112 P124 L140 Q143 A145L108-I114 HydrophobicContact CD1-CD1 4.13Å; L108-I114 HydrophobicContact CD1-CG1 4.39Å; L108-I114 HydrophobicContact CD2-CB 3.64Å; L108-I114 HydrophobicContact CD2-CD1 4.14Å; L108-I114 HydrophobicContact CD2-CG1 3.73Å; A112-I114 PolarHBondContact O-N 3.04Å; I114-P124 WeakPolarHBondContact O-CD 3.48Å; I114-L140 HydrophobicContact CD1-CD2 4.08Å; I114-L140 HydrophobicContact CG1-CD2 3.71Å; I114-Q143 HydrophobicContact CD1-CB 3.52Å; I114-Q143 WeakPolarHBondContact CD1-O 3.31Å; I114-A145 HydrophobicContact CD1-CB 3.82Å; I114-A145 HydrophobicContact CG1-CB 3.89Å
115N98.3Very high98.3Very high34 Ų3446.1 Ų46.118%0.18224%0.236CC..THydrogen-bonded Turntrans-114.912.5-175.3-65.2-54.1000112.6D113 Q117 T123 K146 M149D113-N115 PolarHBondContact O-N 3.47Å; D113-N115 PolarHBondContact OD1-N 3.05Å; N115-Q117 PolarHBondContact O-N 3.42Å; N115-T123 WeakPolarHBondContact O-CG2 3.44Å; N115-K146 PolarHBondContact OD1-N 3.27Å; N115-M149 HydrophobicContact CB-CE 3.83Å; N115-M149 HydrophobicContact CB-SD 4.02Å; N115-M149 VanDerWaalsContact OD1-CE 3.27Å; N115-M149 WeakPolarHBondContact OD1-CE 3.44Å
116R98.3Very high98.3Very high125 Ų12543.7 Ų43.747%0.47222%0.224SC..  trans-58.3132.1177.5-169.868.4-178.71314.9109.8T90 H93 D113 T123T90-R116 HydrophobicContact CG2-CG 4.17Å; H93-R116 PolarHBondContact CE1-O 2.96Å; H93-R116 PolarHBondContact NE2-O 3.39Å; H93-R116 VanDerWaalsContact NE2-O 3.08Å; D113-R116 HydrophobicContact CB-CB 3.98Å; D113-R116 PolarHBondContact O-N 3.3Å; D113-R116 PolarHBondContact OD1-N 3.46Å; R116-T123 WeakPolarHBondContact O-CA 3.18Å; R116-T123 WeakPolarHBondContact O-CG2 3.15Å
117Q98.4Very high98.3Very high89 Ų8941.4 Ų41.442%0.41622%0.215SC..  trans-93.6135.6173.9-74.3-178.1-62.800110.8N115 G121 E122 T123 R150N115-Q117 PolarHBondContact O-N 3.42Å; Q117-G121 PolarHBondContact NE2-O 3.44Å; Q117-E122 WeakPolarHBondContact CA-O 3.47Å; Q117-T123 HydrophobicContact CB-CG2 4.39Å; Q117-T123 HydrophobicContact CG-CG2 3.43Å; Q117-T123 VanDerWaalsContact CG-CG2 3.43Å; Q117-R150 PolarHBondContact NE2-O 2.97Å
118D98.3Very high98.3Very high9 Ų941.4 Ų41.45%0.04822%0.215CC..  trans-79.3-177.9168.882.4-3000111F87 Q89 V120 G121 E122 K127F87-D118 VanDerWaalsContact O-CB 3.3Å; F87-D118 WeakPolarHBondContact O-CB 3.41Å; Q89-D118 HydrophobicContact CG-CB 3.93Å; Q89-D118 PolarHBondContact NE2-OD2 2.83Å; D118-V120 PolarHBondContact O-N 3.43Å; D118-V120 WeakPolarHBondContact OD1-CG2 3.48Å; D118-V120 PolarHBondContact OD1-N 3.42Å; D118-G121 PolarHBondContact O-N 3.36Å; D118-G121 PolarHBondContact OD1-N 3.02Å; D118-E122 PolarHBondContact N-O 3.41Å; D118-E122 PolarHBondContact OD1-N 3.32Å; D118-K127 WeakPolarHBondContact OD2-CE 3.37Å; D118-K127 IonicContact OD2-NZ 2.83Å; D118-K127 PolarHBondContact OD2-NZ 3.25Å
119Y97.8Very high98.3Very high161 Ų16140.4 Ų40.463%0.63121%0.21SC*.THydrogen-bonded Turntrans-64.2-20.8-177.1-74.5-25.4000114.8T85 R86 F87 A88 G121T85-Y119 WeakPolarHBondContact O-CE2 3.32Å; R86-Y119 WeakPolarHBondContact O-CD2 3.48Å; F87-Y119 VanDerWaalsContact C-CD2 3.49Å; F87-Y119 PolarHBondContact O-N 3.33Å; A88-Y119 HydrophobicContact CB-CD1 3.45Å; A88-Y119 VanDerWaalsContact CB-CD1 3.45Å; A88-Y119 HydrophobicContact CB-CD2 4.09Å; A88-Y119 HydrophobicContact CB-CE1 3.42Å; A88-Y119 VanDerWaalsContact CB-CE1 3.42Å; A88-Y119 HydrophobicContact CB-CE2 4.05Å; A88-Y119 HydrophobicContact CB-CG 3.79Å; Y119-G121 VanDerWaalsContact C-N 3.3Å
120V97Very high98.2Very high53 Ų5336.2 Ų36.232%0.32119%0.188SC..THydrogen-bonded Turntrans-9510.4174.5-630000111.9D118 E122 N151 A152D118-V120 PolarHBondContact O-N 3.43Å; D118-V120 WeakPolarHBondContact OD1-CG2 3.48Å; D118-V120 PolarHBondContact OD1-N 3.42Å; V120-E122 HydrophobicContact CG2-CB 4.05Å; V120-E122 HydrophobicContact CG2-CG 3.86Å; V120-E122 PolarHBondContact O-N 3.49Å; V120-N151 WeakPolarHBondContact O-CB 3.46Å; V120-A152 VanDerWaalsContact O-CB 3.29Å; V120-A152 WeakPolarHBondContact O-CB 3.33Å; V120-A152 PolarHBondContact O-N 2.55Å
121G98Very high98.2Very high11 Ų1135.8 Ų35.811%0.11318%0.184CC..SBendtrans73.68.1-17900000113.5Q117 D118 Y119 N151Q117-G121 PolarHBondContact NE2-O 3.44Å; D118-G121 PolarHBondContact O-N 3.36Å; D118-G121 PolarHBondContact OD1-N 3.02Å; Y119-G121 VanDerWaalsContact C-N 3.3Å; G121-N151 WeakPolarHBondContact O-CA 3.41Å
122E98.5Very high98.2Very high6 Ų634.4 Ų34.43%0.02817%0.171CC..  trans-81143.1177.8-73.2-175.1179.300109.7H93 Q117 D118 V120 H126 K127 R130 N151 L160H93-E122 PolarHBondContact NE2-O 3.19Å; H93-E122 VanDerWaalsContact NE2-O 3.09Å; Q117-E122 WeakPolarHBondContact CA-O 3.47Å; D118-E122 PolarHBondContact N-O 3.41Å; D118-E122 PolarHBondContact OD1-N 3.32Å; V120-E122 HydrophobicContact CG2-CB 4.05Å; V120-E122 HydrophobicContact CG2-CG 3.86Å; V120-E122 PolarHBondContact O-N 3.49Å; E122-H126 HydrophobicContact CB-CB 3.79Å; E122-H126 HydrophobicContact CG-CB 3.93Å; E122-K127 WeakPolarHBondContact OE2-CE 3.26Å; E122-K127 IonicContact OE2-NZ 3.48Å; E122-K127 PolarHBondContact OE2-NZ 3.34Å; E122-R130 IonicContact OE1-CZ 2.74Å; E122-R130 IonicContact OE1-NE 3.56Å; E122-R130 PolarHBondContact OE1-NE 3.32Å; E122-R130 IonicContact OE1-NH2 3.54Å; E122-R130 PolarHBondContact OE1-NH2 2.99Å; E122-R130 IonicContact OE2-NE 3.33Å; E122-R130 PolarHBondContact OE2-NE 3.11Å; E122-N151 HydrophobicContact CG-CB 3.69Å; E122-L160 HydrophobicContact CG-CD1 4.49Å
123T98.7Very high98.2Very high0 Ų034.7 Ų34.70%017%0.172CC..  trans-109.1172.9176.465.50000110.5H93 N115 R116 Q117 I125 H126 K127 M149H93-T123 WeakPolarHBondContact NE2-CA 3.41Å; N115-T123 WeakPolarHBondContact O-CG2 3.44Å; R116-T123 WeakPolarHBondContact O-CA 3.18Å; R116-T123 WeakPolarHBondContact O-CG2 3.15Å; Q117-T123 HydrophobicContact CB-CG2 4.39Å; Q117-T123 HydrophobicContact CG-CG2 3.43Å; Q117-T123 VanDerWaalsContact CG-CG2 3.43Å; T123-I125 PolarHBondContact O-N 3.26Å; T123-I125 VanDerWaalsContact O-N 3.09Å; T123-I125 WeakPolarHBondContact OG1-CG2 3.31Å; T123-H126 PolarHBondContact N-ND1 3.44Å; T123-H126 VanDerWaalsContact N-ND1 3.15Å; T123-H126 WeakPolarHBondContact O-CA 3.28Å; T123-H126 WeakPolarHBondContact O-CB 3.17Å; T123-H126 PolarHBondContact O-N 3.4Å; T123-H126 PolarHBondContact OG1-ND1 3.05Å; T123-K127 PolarHBondContact O-N 3.08Å; T123-M149 HydrophobicContact CG2-CE 3.3Å; T123-M149 HydrophobicContact CG2-SD 4.11Å; T123-M149 WeakPolarHBondContact OG1-CE 3.46Å
124P98.8Very high98.2Very high0 Ų033.3 Ų33.30%016%0.164CC..Hα-helixtrans-52.7-35.3178.9-29.937.4000113.8A96 I114 H126 K127 A128 L140A96-P124 HydrophobicContact CB-CB 4.25Å; A96-P124 VanDerWaalsContact CB-O 3.28Å; A96-P124 WeakPolarHBondContact CB-O 3.45Å; I114-P124 WeakPolarHBondContact O-CD 3.48Å; P124-H126 PolarHBondContact O-N 3.33Å; P124-K127 WeakPolarHBondContact O-CB 3.33Å; P124-K127 PolarHBondContact O-N 3.18Å; P124-A128 PolarHBondContact O-N 3.21Å; P124-L140 HydrophobicContact CB-CD1 4.18Å; P124-L140 HydrophobicContact CB-CD2 4.12Å
125I98.7Very high98.2Very high1 Ų137.2 Ų37.21%0.00519%0.185CC..Hα-helixtrans-69.9-30.9177.6-162.4167.6000113.1T123 K127 A129 L140 L141 A145 A157 L173T123-I125 PolarHBondContact O-N 3.26Å; T123-I125 VanDerWaalsContact O-N 3.09Å; T123-I125 WeakPolarHBondContact OG1-CG2 3.31Å; I125-K127 VanDerWaalsContact C-N 3.33Å; I125-A129 WeakPolarHBondContact O-CB 3.25Å; I125-A129 PolarHBondContact O-N 3.01Å; I125-L140 HydrophobicContact CB-CD1 3.96Å; I125-L140 HydrophobicContact CD1-CB 4.42Å; I125-L140 HydrophobicContact CG1-CB 4.45Å; I125-L140 HydrophobicContact CG1-CD1 4.33Å; I125-L141 HydrophobicContact CD1-CD2 3.56Å; I125-L141 HydrophobicContact CD1-CG 3.93Å; I125-A145 HydrophobicContact CB-CB 4.49Å; I125-A145 HydrophobicContact CD1-CB 4.12Å; I125-A157 HydrophobicContact CG1-CB 4.39Å; I125-A157 HydrophobicContact CG2-CB 4.21Å; I125-L173 HydrophobicContact CD1-CD2 3.51Å; I125-L173 HydrophobicContact CG1-CD2 3.72Å
126H98.8Very high98.2Very high1 Ų135.6 Ų35.61%0.00518%0.177CC..Hα-helixtrans-65.6-39.5171.1-65.985000110.9E122 T123 P124 A129 R130 M149 A157 L160E122-H126 HydrophobicContact CB-CB 3.79Å; E122-H126 HydrophobicContact CG-CB 3.93Å; T123-H126 PolarHBondContact N-ND1 3.44Å; T123-H126 VanDerWaalsContact N-ND1 3.15Å; T123-H126 WeakPolarHBondContact O-CA 3.28Å; T123-H126 WeakPolarHBondContact O-CB 3.17Å; T123-H126 PolarHBondContact O-N 3.4Å; T123-H126 PolarHBondContact OG1-ND1 3.05Å; P124-H126 PolarHBondContact O-N 3.33Å; H126-A129 PolarHBondContact O-N 3.16Å; H126-R130 PolarHBondContact O-N 3.21Å; H126-M149 PolarHBondContact CE1-O 3.36Å; H126-M149 PolarHBondContact NE2-O 3.49Å; H126-A157 PolarHBondContact CD2-N 3.37Å; H126-A157 PolarHBondContact NE2-N 3.42Å; H126-L160 HydrophobicContact CB-CD1 3.91Å
127K98.6Very high98.3Very high15 Ų1529.6 Ų29.67%0.06515%0.154CC..Hα-helixtrans-66.8-44.2177.5-60.4-56.2-178.8-165.50112.3Q89 H93 A96 F97 D118 E122 T123 P124 I125 A129 R130 A131Q89-K127 VanDerWaalsContact NE2-CE 3.25Å; Q89-K127 VanDerWaalsContact NE2-NZ 3.19Å; H93-K127 HydrophobicContact CB-CG 4.13Å; A96-K127 HydrophobicContact CB-CB 4.23Å; F97-K127 HydrophobicContact CB-CB 4.05Å; D118-K127 WeakPolarHBondContact OD2-CE 3.37Å; D118-K127 IonicContact OD2-NZ 2.83Å; D118-K127 PolarHBondContact OD2-NZ 3.25Å; E122-K127 WeakPolarHBondContact OE2-CE 3.26Å; E122-K127 IonicContact OE2-NZ 3.48Å; E122-K127 PolarHBondContact OE2-NZ 3.34Å; T123-K127 PolarHBondContact O-N 3.08Å; P124-K127 WeakPolarHBondContact O-CB 3.33Å; P124-K127 PolarHBondContact O-N 3.18Å; I125-K127 VanDerWaalsContact C-N 3.33Å; K127-A129 VanDerWaalsContact C-N 3.3Å; K127-A129 PolarHBondContact O-N 2.87Å; K127-R130 PolarHBondContact O-N 3.4Å; K127-A131 PolarHBondContact O-N 2.88Å
128A98.7Very high98.3Very high0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-58.9-42.3173.700000111.9A96 P124 A131 G132 S133 C136 V137 L140A96-A128 HydrophobicContact CB-CB 4.17Å; A96-A128 WeakPolarHBondContact O-CA 3.05Å; P124-A128 PolarHBondContact O-N 3.21Å; A128-A131 PolarHBondContact O-N 3.28Å; A128-G132 PolarHBondContact O-N 3.08Å; A128-S133 PolarHBondContact O-N 3.31Å; A128-S133 VanDerWaalsContact O-N 3.08Å; A128-C136 HydrophobicContact CB-CB 3.72Å; A128-V137 HydrophobicContact CB-CG2 3.81Å; A128-L140 HydrophobicContact CB-CD1 4.1Å
129A98.5Very high98.3Very high0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-63.8-42.1176.600000112.9I125 H126 K127 A131 G132 A157 A161 F166 L173I125-A129 WeakPolarHBondContact O-CB 3.25Å; I125-A129 PolarHBondContact O-N 3.01Å; H126-A129 PolarHBondContact O-N 3.16Å; K127-A129 VanDerWaalsContact C-N 3.3Å; K127-A129 PolarHBondContact O-N 2.87Å; A129-A131 VanDerWaalsContact C-N 3.26Å; A129-A131 PolarHBondContact O-N 3.24Å; A129-G132 PolarHBondContact O-N 2.91Å; A129-A157 HydrophobicContact CB-CB 3.99Å; A129-A157 VanDerWaalsContact CB-O 3.23Å; A129-A157 WeakPolarHBondContact CB-O 3.25Å; A129-A161 HydrophobicContact CB-CB 4.09Å; A129-F166 WeakPolarHBondContact O-CD2 3.4Å; A129-L173 HydrophobicContact CB-CD1 3.7Å
130R97.5Very high98.3Very high59 Ų5920.4 Ų20.422%0.22312%0.12CC..Hα-helixtrans-63.8-30.8174.3-80.2-173.2172-78.30.4113.6F97 E122 H126 K127 G132 L160 F166F97-R130 HydrophobicContact CE2-CB 4.35Å; E122-R130 IonicContact OE1-CZ 2.74Å; E122-R130 IonicContact OE1-NE 3.56Å; E122-R130 PolarHBondContact OE1-NE 3.32Å; E122-R130 IonicContact OE1-NH2 3.54Å; E122-R130 PolarHBondContact OE1-NH2 2.99Å; E122-R130 IonicContact OE2-NE 3.33Å; E122-R130 PolarHBondContact OE2-NE 3.11Å; H126-R130 PolarHBondContact O-N 3.21Å; K127-R130 PolarHBondContact O-N 3.4Å; R130-G132 VanDerWaalsContact C-N 3.35Å; R130-L160 HydrophobicContact CG-CB 4.25Å; R130-L160 HydrophobicContact CG-CD1 4.08Å; R130-F166 WeakPolarHBondContact O-CE2 3.26Å
131A97.4Very high98.4Very high30 Ų3019.4 Ų19.425%0.24811%0.113CC..Hα-helixtrans-83-13.9177.200000113F97 K127 A128 A129 S133F97-A131 HydrophobicContact CD2-CB 4.28Å; F97-A131 WeakPolarHBondContact O-CB 3.3Å; K127-A131 PolarHBondContact O-N 2.88Å; A128-A131 PolarHBondContact O-N 3.28Å; A129-A131 VanDerWaalsContact C-N 3.26Å; A129-A131 PolarHBondContact O-N 3.24Å; A131-S133 PolarHBondContact O-N 3.12Å
132G97.8Very high98.3Very high22 Ų2225.4 Ų25.423%0.22714%0.141CC..THydrogen-bonded Turntrans6820.5-172.700000113.5A128 A129 R130 L134 F166A128-G132 PolarHBondContact O-N 3.08Å; A129-G132 PolarHBondContact O-N 2.91Å; R130-G132 VanDerWaalsContact C-N 3.35Å; G132-L134 PolarHBondContact O-N 2.79Å; G132-L134 VanDerWaalsContact O-N 3.14Å; G132-F166 VanDerWaalsContact CA-CG 3.44Å
133S98.2Very high98.3Very high17 Ų1729.6 Ų29.612%0.11916%0.16CC..  trans-81.795.6-178.4-178.40000110.6G99 A128 A131 D135 C136 V137G99-S133 WeakPolarHBondContact CA-OG 3.36Å; A128-S133 PolarHBondContact O-N 3.31Å; A128-S133 VanDerWaalsContact O-N 3.08Å; A131-S133 PolarHBondContact O-N 3.12Å; S133-D135 VanDerWaalsContact C-N 3.26Å; S133-D135 PolarHBondContact O-N 3.31Å; S133-C136 PolarHBondContact O-N 3.1Å; S133-C136 WeakPolarHBondContact OG-CB 3.48Å; S133-C136 PolarHBondContact OG-N 2.9Å; S133-C136 PolarHBondContact OG-SG 3.46Å; S133-C136 VanDerWaalsContact OG-SG 3.32Å; S133-V137 WeakPolarHBondContact O-CG2 3.05Å; S133-V137 PolarHBondContact O-N 3.16Å
134L98.2Very high98.1Very high42 Ų4231.8 Ų31.822%0.2218%0.183CC..Hα-helixtrans-56.6-42177.4-160.975000111.8G132 V137 N138 E168 I172G132-L134 PolarHBondContact O-N 2.79Å; G132-L134 VanDerWaalsContact O-N 3.14Å; L134-V137 PolarHBondContact O-N 3.46Å; L134-N138 WeakPolarHBondContact O-CB 3.39Å; L134-N138 PolarHBondContact O-N 3.48Å; L134-N138 PolarHBondContact O-ND2 2.92Å; L134-E168 HydrophobicContact CD1-CB 4.31Å; L134-E168 HydrophobicContact CD1-CG 3.83Å; L134-E168 HydrophobicContact CD2-CG 4.48Å; L134-E168 WeakPolarHBondContact CD2-OE1 3.36Å; L134-I172 HydrophobicContact CD1-CD1 3.51Å; L134-I172 HydrophobicContact CG-CD1 4.23Å
135D98.4Very high98.1Very high106 Ų10631.8 Ų31.857%0.56718%0.183SC*.Hα-helixtrans-64.8-43.6-179.1-61.2-43.2000111.8P101 S133 N138 A139P101-D135 HydrophobicContact CB-CB 4.18Å; P101-D135 HydrophobicContact CG-CB 3.94Å; S133-D135 VanDerWaalsContact C-N 3.26Å; S133-D135 PolarHBondContact O-N 3.31Å; D135-N138 PolarHBondContact O-N 2.9Å; D135-A139 VanDerWaalsContact O-CB 3.23Å; D135-A139 WeakPolarHBondContact O-CB 3.5Å; D135-A139 PolarHBondContact O-N 3.31Å
136C98.7Very high98Very high0 Ų037 Ų370%021%0.206CC..Hα-helixtrans-67.3-39.7175.8-70.50000111.9G99 H100 L104 A128 S133 A139 L140G99-C136 VanDerWaalsContact C-SG 3.54Å; H100-C136 PolarHBondContact N-SG 2.99Å; L104-C136 HydrophobicContact CD2-CB 3.79Å; A128-C136 HydrophobicContact CB-CB 3.72Å; S133-C136 PolarHBondContact O-N 3.1Å; S133-C136 WeakPolarHBondContact OG-CB 3.48Å; S133-C136 PolarHBondContact OG-N 2.9Å; S133-C136 PolarHBondContact OG-SG 3.46Å; S133-C136 VanDerWaalsContact OG-SG 3.32Å; C136-A139 PolarHBondContact O-N 3.32Å; C136-L140 WeakPolarHBondContact O-CB 3.38Å; C136-L140 WeakPolarHBondContact O-CD1 3.34Å; C136-L140 VanDerWaalsContact O-CG 3.26Å; C136-L140 WeakPolarHBondContact O-CG 3.1Å; C136-L140 PolarHBondContact O-N 3.37Å
137V98.7Very high97.8Very high0 Ų037 Ų370%021%0.206CC..Hα-helixtrans-58.5-51.7174.5165.70000110.3A128 S133 L134 A139 L140 L141 I172 L173A128-V137 HydrophobicContact CB-CG2 3.81Å; S133-V137 WeakPolarHBondContact O-CG2 3.05Å; S133-V137 PolarHBondContact O-N 3.16Å; L134-V137 PolarHBondContact O-N 3.46Å; V137-A139 PolarHBondContact O-N 2.77Å; V137-L140 PolarHBondContact O-N 3.49Å; V137-L141 HydrophobicContact CG1-CD1 3.89Å; V137-L141 HydrophobicContact CG1-CG 4.46Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.47Å; V137-L141 PolarHBondContact O-N 3.18Å; V137-I172 HydrophobicContact CG1-CG2 4.18Å; V137-L173 HydrophobicContact CG1-CD1 4.45Å; V137-L173 HydrophobicContact CG1-CD2 3.73Å; V137-L173 HydrophobicContact CG1-CG 3.88Å; V137-L173 HydrophobicContact CG2-CD1 4.37Å
138N98.4Very high97.7Very high55 Ų5540 Ų4029%0.29422%0.223SC..Hα-helixtrans-61.8-45.7179.3-77.1-36.6000111.8L134 D135 L140 L141 I142L134-N138 WeakPolarHBondContact O-CB 3.39Å; L134-N138 PolarHBondContact O-N 3.48Å; L134-N138 PolarHBondContact O-ND2 2.92Å; D135-N138 PolarHBondContact O-N 2.9Å; N138-L140 VanDerWaalsContact C-N 3.32Å; N138-L140 PolarHBondContact O-N 2.87Å; N138-L141 PolarHBondContact O-N 2.87Å; N138-I142 WeakPolarHBondContact O-CB 3.45Å; N138-I142 WeakPolarHBondContact O-CD1 3.37Å; N138-I142 VanDerWaalsContact O-CG1 3.23Å; N138-I142 WeakPolarHBondContact O-CG1 3.33Å; N138-I142 PolarHBondContact O-N 3.18Å
139A98.3Very high97.6Very high11 Ų1141.5 Ų41.59%0.09123%0.23CC..Hα-helixtrans-56.3-46.7176.900000111.7L105 D135 C136 V137 I142 Q143L105-A139 HydrophobicContact CD1-CB 4.37Å; L105-A139 HydrophobicContact CD2-CB 3.95Å; L105-A139 HydrophobicContact CG-CB 4.07Å; D135-A139 VanDerWaalsContact O-CB 3.23Å; D135-A139 WeakPolarHBondContact O-CB 3.5Å; D135-A139 PolarHBondContact O-N 3.31Å; C136-A139 PolarHBondContact O-N 3.32Å; V137-A139 PolarHBondContact O-N 2.77Å; A139-I142 PolarHBondContact O-N 2.99Å; A139-Q143 WeakPolarHBondContact O-CB 3.36Å; A139-Q143 VanDerWaalsContact O-CG 3.28Å; A139-Q143 WeakPolarHBondContact O-CG 3.45Å; A139-Q143 PolarHBondContact O-N 2.99Å
140L98.6Very high97.6Very high0 Ų047.9 Ų47.90%025%0.254CS..Hα-helixtrans-64.7-44.5178.5-75.1165.6000112.3A96 L104 L108 I114 P124 I125 A128 C136 V137 N138 I142 Q143 G144 A145A96-L140 HydrophobicContact CB-CD1 4.43Å; L104-L140 HydrophobicContact CD1-CD2 4.23Å; L104-L140 HydrophobicContact CD2-CD1 3.98Å; L104-L140 HydrophobicContact CD2-CD2 4.17Å; L104-L140 HydrophobicContact CD2-CG 3.77Å; L104-L140 HydrophobicContact CG-CD2 4.39Å; L104-L140 HydrophobicContact CG-CG 4.5Å; L108-L140 HydrophobicContact CD1-CD2 4.04Å; I114-L140 HydrophobicContact CD1-CD2 4.08Å; I114-L140 HydrophobicContact CG1-CD2 3.71Å; P124-L140 HydrophobicContact CB-CD1 4.18Å; P124-L140 HydrophobicContact CB-CD2 4.12Å; I125-L140 HydrophobicContact CB-CD1 3.96Å; I125-L140 HydrophobicContact CD1-CB 4.42Å; I125-L140 HydrophobicContact CG1-CB 4.45Å; I125-L140 HydrophobicContact CG1-CD1 4.33Å; A128-L140 HydrophobicContact CB-CD1 4.1Å; C136-L140 WeakPolarHBondContact O-CB 3.38Å; C136-L140 WeakPolarHBondContact O-CD1 3.34Å; C136-L140 VanDerWaalsContact O-CG 3.26Å; C136-L140 WeakPolarHBondContact O-CG 3.1Å; C136-L140 PolarHBondContact O-N 3.37Å; V137-L140 PolarHBondContact O-N 3.49Å; N138-L140 VanDerWaalsContact C-N 3.32Å; N138-L140 PolarHBondContact O-N 2.87Å; L140-I142 PolarHBondContact O-N 2.98Å; L140-Q143 CarbonylContact O-C 3.56Å; L140-Q143 PolarHBondContact O-N 2.86Å; L140-G144 PolarHBondContact O-N 3.12Å; L140-A145 HydrophobicContact CB-CB 3.81Å; L140-A145 WeakPolarHBondContact O-CB 3.36Å; L140-A145 PolarHBondContact O-N 3.36Å
141L98.1Very high97.6Very high31 Ų3145.6 Ų45.616%0.16225%0.247CC..Hα-helixtrans-62.5-42.9178.2-70.7175000111.9I125 V137 N138 Q143 G144 A147 I172 A176I125-L141 HydrophobicContact CD1-CD2 3.56Å; I125-L141 HydrophobicContact CD1-CG 3.93Å; V137-L141 HydrophobicContact CG1-CD1 3.89Å; V137-L141 HydrophobicContact CG1-CG 4.46Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.47Å; V137-L141 PolarHBondContact O-N 3.18Å; N138-L141 PolarHBondContact O-N 2.87Å; L141-Q143 VanDerWaalsContact C-N 3.28Å; L141-Q143 PolarHBondContact O-N 3.31Å; L141-G144 PolarHBondContact O-N 3.22Å; L141-A147 HydrophobicContact CD2-CB 3.86Å; L141-I172 HydrophobicContact CD1-CG2 3.73Å; L141-A176 HydrophobicContact CD1-CB 3.77Å; L141-A176 HydrophobicContact CD2-CB 3.68Å; L141-A176 HydrophobicContact CG-CB 4.36Å
142I97.1Very high97.6Very high137 Ų13748.3 Ų48.370%0.70327%0.269SS*.Hα-helixtrans-62.2-38176.5-69.5165.2000111N138 A139 L140 G144N138-I142 WeakPolarHBondContact O-CB 3.45Å; N138-I142 WeakPolarHBondContact O-CD1 3.37Å; N138-I142 VanDerWaalsContact O-CG1 3.23Å; N138-I142 WeakPolarHBondContact O-CG1 3.33Å; N138-I142 PolarHBondContact O-N 3.18Å; A139-I142 PolarHBondContact O-N 2.99Å; L140-I142 PolarHBondContact O-N 2.98Å; I142-G144 PolarHBondContact O-N 2.98Å
143Q97.6Very high97.5Very high94 Ų9451 Ų5144%0.43928%0.284SS..THydrogen-bonded Turntrans-78.64175.9-64.7-59.7-43.700113.6L105 L108 I114 A139 L140 L141L105-Q143 HydrophobicContact CD2-CG 3.81Å; L108-Q143 HydrophobicContact CD1-CB 4.15Å; L108-Q143 HydrophobicContact CD1-CG 4.03Å; I114-Q143 HydrophobicContact CD1-CB 3.52Å; I114-Q143 WeakPolarHBondContact CD1-O 3.31Å; A139-Q143 WeakPolarHBondContact O-CB 3.36Å; A139-Q143 VanDerWaalsContact O-CG 3.28Å; A139-Q143 WeakPolarHBondContact O-CG 3.45Å; A139-Q143 PolarHBondContact O-N 2.99Å; L140-Q143 CarbonylContact O-C 3.56Å; L140-Q143 PolarHBondContact O-N 2.86Å; L141-Q143 VanDerWaalsContact C-N 3.28Å; L141-Q143 PolarHBondContact O-N 3.31Å
144G95.6Very high97.5Very high47 Ų4751.9 Ų51.949%0.48530%0.296SS..THydrogen-bonded Turntrans85.526.7174.400000114.9L140 L141 I142L140-G144 PolarHBondContact O-N 3.12Å; L141-G144 PolarHBondContact O-N 3.22Å; I142-G144 PolarHBondContact O-N 2.98Å
145A97.5Very high97.5Very high0 Ų053.2 Ų53.20%030%0.303CS..  trans-60.7138.9170.100000110.9I114 I125 L140 A147 Q180I114-A145 HydrophobicContact CD1-CB 3.82Å; I114-A145 HydrophobicContact CG1-CB 3.89Å; I125-A145 HydrophobicContact CB-CB 4.49Å; I125-A145 HydrophobicContact CD1-CB 4.12Å; L140-A145 HydrophobicContact CB-CB 3.81Å; L140-A145 WeakPolarHBondContact O-CB 3.36Å; L140-A145 PolarHBondContact O-N 3.36Å; A145-A147 PolarHBondContact O-N 3.1Å; A145-Q180 PolarHBondContact O-NE2 3.04Å
146K97.2Very high97.4Very high111 Ų11148.1 Ų48.148%0.48328%0.276SS..  trans-78.6111.6177.1-64.3177.1-177.1178.70109.5N115 D148 M149N115-K146 PolarHBondContact OD1-N 3.27Å; K146-D148 VanDerWaalsContact C-N 3.32Å; K146-M149 HydrophobicContact CB-CE 3.95Å; K146-M149 HydrophobicContact CB-CG 3.69Å; K146-M149 HydrophobicContact CB-SD 3.96Å; K146-M149 HydrophobicContact CD-CG 4.25Å; K146-M149 HydrophobicContact CD-SD 4.08Å; K146-M149 WeakPolarHBondContact O-CE 3.26Å
147A95.9Very high97.4Very high1 Ų148.1 Ų48.11%0.00828%0.276CS..THydrogen-bonded Turntrans-79.4-18.5-176.600000112.7L141 A145 A176 Q177L141-A147 HydrophobicContact CD2-CB 3.86Å; A145-A147 PolarHBondContact O-N 3.1Å; A147-A176 HydrophobicContact CB-CB 4.15Å; A147-Q177 VanDerWaalsContact C-CG 3.47Å; A147-Q177 HydrophobicContact CB-CG 3.68Å; A147-Q177 WeakPolarHBondContact O-CG 3.13Å; A147-Q177 PolarHBondContact O-NE2 3.23Å
148D95.3Very high97.4Very high78 Ų7848.3 Ų48.342%0.41728%0.277SS..THydrogen-bonded Turntrans-90.5-6.3-174.867.7-29.7000114.2K146 Q177K146-D148 VanDerWaalsContact C-N 3.32Å; D148-Q177 HydrophobicContact CB-CG 4.44Å
149M97.1Very high97.4Very high31 Ų3148.7 Ų48.715%0.15328%0.279CS..  trans-60145.4174.5-68.6-170.9-56.700110.8N115 T123 H126 K146N115-M149 HydrophobicContact CB-CE 3.83Å; N115-M149 HydrophobicContact CB-SD 4.02Å; N115-M149 VanDerWaalsContact OD1-CE 3.27Å; N115-M149 WeakPolarHBondContact OD1-CE 3.44Å; T123-M149 HydrophobicContact CG2-CE 3.3Å; T123-M149 HydrophobicContact CG2-SD 4.11Å; T123-M149 WeakPolarHBondContact OG1-CE 3.46Å; H126-M149 PolarHBondContact CE1-O 3.36Å; H126-M149 PolarHBondContact NE2-O 3.49Å; K146-M149 HydrophobicContact CB-CE 3.95Å; K146-M149 HydrophobicContact CB-CG 3.69Å; K146-M149 HydrophobicContact CB-SD 3.96Å; K146-M149 HydrophobicContact CD-CG 4.25Å; K146-M149 HydrophobicContact CD-SD 4.08Å; K146-M149 WeakPolarHBondContact O-CE 3.26Å
150R97.4Very high97.3Very high133 Ų13348.4 Ų48.450%0.50228%0.276SS..BIsolated β-bridgetrans-117.9139.8179-64.6-177.6177-75.5-9.1109.8Q117 G154 L155 D159Q117-R150 PolarHBondContact NE2-O 2.97Å; R150-G154 WeakPolarHBondContact CD-O 3.5Å; R150-G154 PolarHBondContact NH1-O 3.34Å; R150-L155 WeakPolarHBondContact CA-O 3.44Å; R150-D159 IonicContact NH1-OD2 3.44Å; R150-D159 PolarHBondContact NH1-OD2 3.39Å
151N97.6Very high97.3Very high12 Ų1248.4 Ų48.46%0.06428%0.276CS..  trans-74.2-178.6173.274.5-2.8000111.5V120 G121 E122 S153 G154 L155V120-N151 WeakPolarHBondContact O-CB 3.46Å; G121-N151 WeakPolarHBondContact O-CA 3.41Å; E122-N151 HydrophobicContact CG-CB 3.69Å; N151-S153 PolarHBondContact ND2-OG 3.1Å; N151-S153 PolarHBondContact O-N 3Å; N151-S153 PolarHBondContact OD1-N 3.21Å; N151-S153 VanDerWaalsContact OD1-N 3.12Å; N151-S153 PolarHBondContact OD1-OG 3.46Å; N151-G154 PolarHBondContact O-N 3.05Å; N151-G154 PolarHBondContact OD1-N 3.23Å; N151-L155 PolarHBondContact N-O 3.34Å; N151-L155 PolarHBondContact OD1-N 3.31Å; N151-L155 PolarHBondContact OD1-O 3Å
152A97.4Very high97.3Very high86 Ų8652.9 Ų52.971%0.71130%0.296SS*.THydrogen-bonded Turntrans-61.6-24.9-178.500000113.6V120 G154V120-A152 VanDerWaalsContact O-CB 3.29Å; V120-A152 WeakPolarHBondContact O-CB 3.33Å; V120-A152 PolarHBondContact O-N 2.55Å; A152-G154 VanDerWaalsContact C-N 3.28Å
153S96.8Very high97.3Very high79 Ų7950.2 Ų50.255%0.55229%0.294SS*.THydrogen-bonded Turntrans-866174.3640000113.6N151 L155N151-S153 PolarHBondContact ND2-OG 3.1Å; N151-S153 PolarHBondContact O-N 3Å; N151-S153 PolarHBondContact OD1-N 3.21Å; N151-S153 VanDerWaalsContact OD1-N 3.12Å; N151-S153 PolarHBondContact OD1-OG 3.46Å; S153-L155 VanDerWaalsContact C-N 3.26Å; S153-L155 PolarHBondContact O-N 3.09Å; S153-L155 WeakPolarHBondContact OG-CG 3.48Å
154G97.6Very high97.1Very high35 Ų3548.3 Ų48.336%0.36129%0.285SS..SBendtrans75.79.5-179.100000114.5R150 N151 A152R150-G154 WeakPolarHBondContact CD-O 3.5Å; R150-G154 PolarHBondContact NH1-O 3.34Å; N151-G154 PolarHBondContact O-N 3.05Å; N151-G154 PolarHBondContact OD1-N 3.23Å; A152-G154 VanDerWaalsContact C-N 3.28Å
155L97.9Very high97.2Very high70 Ų7047.8 Ų47.837%0.36628%0.279SS..  trans-90137.3180-59.4177.9000110.2R150 N151 S153 D159 L160R150-L155 WeakPolarHBondContact CA-O 3.44Å; N151-L155 PolarHBondContact N-O 3.34Å; N151-L155 PolarHBondContact OD1-N 3.31Å; N151-L155 PolarHBondContact OD1-O 3Å; S153-L155 VanDerWaalsContact C-N 3.26Å; S153-L155 PolarHBondContact O-N 3.09Å; S153-L155 WeakPolarHBondContact OG-CG 3.48Å; L155-D159 HydrophobicContact CB-CB 4.17Å; L155-D159 HydrophobicContact CD2-CB 4.1Å; L155-L160 HydrophobicContact CB-CD2 4.18Å; L155-L160 HydrophobicContact CB-CG 4.42Å; L155-L160 HydrophobicContact CD1-CD2 3.8Å
156S97.8Very high97.2Very high0 Ų051.3 Ų51.30%030%0.295CS..BIsolated β-bridgetrans-84.7168.5169.372.40000111.2A158 D159 L160 Q177S156-A158 PolarHBondContact O-N 3.39Å; S156-A158 PolarHBondContact OG-N 3.34Å; S156-D159 WeakPolarHBondContact CB-OD2 3.16Å; S156-D159 PolarHBondContact N-OD2 3.16Å; S156-D159 WeakPolarHBondContact O-CB 3.36Å; S156-D159 PolarHBondContact O-N 3.13Å; S156-D159 VanDerWaalsContact O-N 3.14Å; S156-D159 VanDerWaalsContact OG-CG 3.23Å; S156-D159 PolarHBondContact OG-N 3.17Å; S156-D159 PolarHBondContact OG-OD2 3.17Å; S156-L160 PolarHBondContact O-N 3.43Å; S156-L160 VanDerWaalsContact O-N 3.13Å; S156-Q177 PolarHBondContact OG-NE2 3.45Å; S156-Q177 VanDerWaalsContact OG-NE2 3.13Å
157A97.9Very high97.2Very high0 Ų052.3 Ų52.30%030%0.301CS..Hα-helixtrans-57.6-36.9174.100000112.6I125 H126 A129 L160 A161 L173I125-A157 HydrophobicContact CG1-CB 4.39Å; I125-A157 HydrophobicContact CG2-CB 4.21Å; H126-A157 PolarHBondContact CD2-N 3.37Å; H126-A157 PolarHBondContact NE2-N 3.42Å; A129-A157 HydrophobicContact CB-CB 3.99Å; A129-A157 VanDerWaalsContact CB-O 3.23Å; A129-A157 WeakPolarHBondContact CB-O 3.25Å; A157-L160 PolarHBondContact O-N 3.01Å; A157-A161 PolarHBondContact O-N 3.06Å; A157-L173 HydrophobicContact CB-CD1 3.97Å; A157-L173 HydrophobicContact CB-CD2 4.17Å
158A98.1Very high97.3Very high3 Ų358 Ų583%0.02533%0.327CS..Hα-helixtrans-63-42.3176.200000111.9S156 L160 A161 H162 L173S156-A158 PolarHBondContact O-N 3.39Å; S156-A158 PolarHBondContact OG-N 3.34Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 2.95Å; A158-A161 PolarHBondContact O-N 3.4Å; A158-H162 WeakPolarHBondContact O-CB 3.28Å; A158-H162 PolarHBondContact O-N 3.05Å; A158-L173 HydrophobicContact CB-CB 3.69Å
159D97.9Very high97.4Very high63 Ų6354.5 Ų54.534%0.33731%0.309SS..Hα-helixtrans-62.5-40.8178.6-57-46000110.8R150 L155 S156 H162 A163R150-D159 IonicContact NH1-OD2 3.44Å; R150-D159 PolarHBondContact NH1-OD2 3.39Å; L155-D159 HydrophobicContact CB-CB 4.17Å; L155-D159 HydrophobicContact CD2-CB 4.1Å; S156-D159 WeakPolarHBondContact CB-OD2 3.16Å; S156-D159 PolarHBondContact N-OD2 3.16Å; S156-D159 WeakPolarHBondContact O-CB 3.36Å; S156-D159 PolarHBondContact O-N 3.13Å; S156-D159 VanDerWaalsContact O-N 3.14Å; S156-D159 VanDerWaalsContact OG-CG 3.23Å; S156-D159 PolarHBondContact OG-N 3.17Å; S156-D159 PolarHBondContact OG-OD2 3.17Å; D159-H162 PolarHBondContact O-N 2.98Å; D159-A163 WeakPolarHBondContact O-CB 3.19Å; D159-A163 PolarHBondContact O-N 3.22Å
160L97.7Very high97.4Very high5 Ų553.3 Ų53.33%0.02630%0.304CS..Hα-helixtrans-65.6-45.1175.9-64.4179.2000112.1E122 H126 R130 L155 S156 A157 A158 H162 A163 Q164E122-L160 HydrophobicContact CG-CD1 4.49Å; H126-L160 HydrophobicContact CB-CD1 3.91Å; R130-L160 HydrophobicContact CG-CB 4.25Å; R130-L160 HydrophobicContact CG-CD1 4.08Å; L155-L160 HydrophobicContact CB-CD2 4.18Å; L155-L160 HydrophobicContact CB-CG 4.42Å; L155-L160 HydrophobicContact CD1-CD2 3.8Å; S156-L160 PolarHBondContact O-N 3.43Å; S156-L160 VanDerWaalsContact O-N 3.13Å; A157-L160 PolarHBondContact O-N 3.01Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 2.95Å; L160-H162 VanDerWaalsContact C-N 3.29Å; L160-H162 PolarHBondContact O-N 3.47Å; L160-A163 PolarHBondContact O-N 3.46Å; L160-Q164 WeakPolarHBondContact O-CG 3.27Å; L160-Q164 PolarHBondContact O-N 2.91Å; L160-Q164 VanDerWaalsContact O-N 3.16Å
161A98.1Very high97.5Very high0 Ų052.9 Ų52.90%031%0.308CS..Hα-helixtrans-60.1-41.1175.900000111.5A129 A157 A158 Q164 G165 F166 C169 A170 L173A129-A161 HydrophobicContact CB-CB 4.09Å; A157-A161 PolarHBondContact O-N 3.06Å; A158-A161 PolarHBondContact O-N 3.4Å; A161-Q164 PolarHBondContact O-N 3.03Å; A161-G165 PolarHBondContact O-N 3.41Å; A161-F166 HydrophobicContact CB-CB 4.29Å; A161-F166 PolarHBondContact O-N 3.28Å; A161-C169 HydrophobicContact CB-CB 3.91Å; A161-A170 HydrophobicContact CB-CB 3.88Å; A161-L173 HydrophobicContact CB-CD1 4.3Å
162H97.6Very high97.5Very high126 Ų12654.4 Ų54.458%0.58332%0.315SS*.Hα-helixtrans-64.9-46.1178.1-164.877.6000112A158 D159 L160 Q164 G165 A170A158-H162 WeakPolarHBondContact O-CB 3.28Å; A158-H162 PolarHBondContact O-N 3.05Å; D159-H162 PolarHBondContact O-N 2.98Å; L160-H162 VanDerWaalsContact C-N 3.29Å; L160-H162 PolarHBondContact O-N 3.47Å; H162-Q164 PolarHBondContact O-N 3.24Å; H162-G165 PolarHBondContact O-N 3.44Å; H162-A170 HydrophobicContact CB-CB 4.09Å
163A96.6Very high97.5Very high80 Ų8050.3 Ų50.366%0.66128%0.282SS*.Hα-helixtrans-60.2-28.5177.700000113.1D159 L160D159-A163 WeakPolarHBondContact O-CB 3.19Å; D159-A163 PolarHBondContact O-N 3.22Å; L160-A163 PolarHBondContact O-N 3.46Å
164Q94.8Very high97.5Very high55 Ų5548.7 Ų48.726%0.25727%0.271SS..THydrogen-bonded Turntrans-88.9-5.7177.6-61-73.359.800113.7L160 A161 H162 F166 Y354L160-Q164 WeakPolarHBondContact O-CG 3.27Å; L160-Q164 PolarHBondContact O-N 2.91Å; L160-Q164 VanDerWaalsContact O-N 3.16Å; A161-Q164 PolarHBondContact O-N 3.03Å; H162-Q164 PolarHBondContact O-N 3.24Å; Q164-F166 HydrophobicContact CB-CD2 3.5Å; Q164-F166 VanDerWaalsContact CB-CD2 3.5Å; Q164-F166 HydrophobicContact CB-CE2 3.57Å; Q164-F166 HydrophobicContact CB-CG 4.43Å; Q164-F166 HydrophobicContact CG-CD2 4.42Å; Q164-F166 HydrophobicContact CG-CE2 4.33Å; Q164-Y354 VanDerWaalsContact CD-OH 3.24Å; Q164-Y354 PolarHBondContact NE2-OH 2.86Å; Q164-Y354 PolarHBondContact OE1-OH 3.46Å
165G96.9Very high97.4Very high35 Ų3551.2 Ų51.236%0.36128%0.276SS..THydrogen-bonded Turntrans81.213-17700000115A161 H162 H167A161-G165 PolarHBondContact O-N 3.41Å; H162-G165 PolarHBondContact O-N 3.44Å; G165-H167 VanDerWaalsContact C-N 3.29Å; G165-H167 PolarHBondContact O-CE1 2.85Å; G165-H167 VanDerWaalsContact O-CE1 3.31Å; G165-H167 PolarHBondContact O-N 3.46Å; G165-H167 VanDerWaalsContact O-N 3.08Å; G165-H167 PolarHBondContact O-ND1 3.32Å
166F98.1Very high97.3Very high75 Ų7548.6 Ų48.633%0.32926%0.264SS..  trans-85.669.9175.2-58.2-54.1000111A129 R130 G132 A161 Q164 E168 C169 A170A129-F166 WeakPolarHBondContact O-CD2 3.4Å; R130-F166 WeakPolarHBondContact O-CE2 3.26Å; G132-F166 VanDerWaalsContact CA-CG 3.44Å; A161-F166 HydrophobicContact CB-CB 4.29Å; A161-F166 PolarHBondContact O-N 3.28Å; Q164-F166 HydrophobicContact CB-CD2 3.5Å; Q164-F166 VanDerWaalsContact CB-CD2 3.5Å; Q164-F166 HydrophobicContact CB-CE2 3.57Å; Q164-F166 HydrophobicContact CB-CG 4.43Å; Q164-F166 HydrophobicContact CG-CD2 4.42Å; Q164-F166 HydrophobicContact CG-CE2 4.33Å; F166-E168 VanDerWaalsContact C-N 3.34Å; F166-E168 PolarHBondContact O-N 3.13Å; F166-C169 HydrophobicContact CB-CB 4.11Å; F166-C169 PolarHBondContact O-N 3.22Å; F166-A170 PolarHBondContact O-N 3.48Å
167H97.1Very high97Very high132 Ų13250.1 Ų50.161%0.61127%0.271SS*.Hα-helixtrans-54.5-44.2-172.7-57.790.3000113.6G165 A170 E171G165-H167 VanDerWaalsContact C-N 3.29Å; G165-H167 PolarHBondContact O-CE1 2.85Å; G165-H167 VanDerWaalsContact O-CE1 3.31Å; G165-H167 PolarHBondContact O-N 3.46Å; G165-H167 VanDerWaalsContact O-N 3.08Å; G165-H167 PolarHBondContact O-ND1 3.32Å; H167-A170 WeakPolarHBondContact O-CB 3.46Å; H167-A170 PolarHBondContact O-N 2.92Å; H167-E171 PolarHBondContact O-N 3.14Å
168E97.5Very high96.7Very high120 Ų12054.2 Ų54.256%0.56129%0.293SS*.Hα-helixtrans-65.8-42.9-178.8-166.7-179.6-176.100112L134 F166 A170 E171 I172L134-E168 HydrophobicContact CD1-CB 4.31Å; L134-E168 HydrophobicContact CD1-CG 3.83Å; L134-E168 HydrophobicContact CD2-CG 4.48Å; L134-E168 WeakPolarHBondContact CD2-OE1 3.36Å; F166-E168 VanDerWaalsContact C-N 3.34Å; F166-E168 PolarHBondContact O-N 3.13Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.04Å; E168-E171 PolarHBondContact O-N 3.31Å; E168-I172 WeakPolarHBondContact O-CG1 3.49Å; E168-I172 PolarHBondContact O-N 2.79Å
169C97.7Very high96.3Very high4 Ų459 Ų593%0.02732%0.317CS..Hα-helixtrans-60.8-44.6173-73.70000111.1A161 F166 E171 I172 L173A161-C169 HydrophobicContact CB-CB 3.91Å; F166-C169 HydrophobicContact CB-CB 4.11Å; F166-C169 PolarHBondContact O-N 3.22Å; C169-E171 VanDerWaalsContact C-N 3.33Å; C169-E171 PolarHBondContact O-N 3.27Å; C169-I172 PolarHBondContact O-N 3.38Å; C169-L173 WeakPolarHBondContact O-CB 3.33Å; C169-L173 WeakPolarHBondContact O-CD1 3.34Å; C169-L173 WeakPolarHBondContact O-CG 3.32Å; C169-L173 PolarHBondContact O-N 3.34Å
170A97.8Very high95.8Very high6 Ų657.6 Ų57.65%0.0531%0.309CS..Hα-helixtrans-61.9-41.1179.700000112.1A161 H162 F166 H167 E168 S174A161-A170 HydrophobicContact CB-CB 3.88Å; H162-A170 HydrophobicContact CB-CB 4.09Å; F166-A170 PolarHBondContact O-N 3.48Å; H167-A170 WeakPolarHBondContact O-CB 3.46Å; H167-A170 PolarHBondContact O-N 2.92Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.04Å; A170-S174 VanDerWaalsContact O-CB 3.31Å; A170-S174 WeakPolarHBondContact O-CB 3.45Å; A170-S174 PolarHBondContact O-N 2.81Å; A170-S174 PolarHBondContact O-OG 2.92Å
171E97.7Very high95.3Very high124 Ų12465.5 Ų65.558%0.57934%0.339SS*.Hα-helixtrans-64.1-50.9177.4-174.6179.1176.600111.5H167 E168 C169 L173 S174 N175H167-E171 PolarHBondContact O-N 3.14Å; E168-E171 PolarHBondContact O-N 3.31Å; C169-E171 VanDerWaalsContact C-N 3.33Å; C169-E171 PolarHBondContact O-N 3.27Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.83Å; E171-S174 PolarHBondContact O-N 2.8Å; E171-N175 WeakPolarHBondContact O-CB 3.31Å; E171-N175 VanDerWaalsContact O-CG 3.24Å; E171-N175 PolarHBondContact O-N 3.43Å; E171-N175 PolarHBondContact O-ND2 2.95Å
172I97.8Very high94.4Very high44 Ų4473.2 Ų73.223%0.22637%0.369CS..Hα-helixtrans-58.8-45.1178.4-69.9179.8000111L134 V137 L141 E168 C169 N175 A176L134-I172 HydrophobicContact CD1-CD1 3.51Å; L134-I172 HydrophobicContact CG-CD1 4.23Å; V137-I172 HydrophobicContact CG1-CG2 4.18Å; L141-I172 HydrophobicContact CD1-CG2 3.73Å; E168-I172 WeakPolarHBondContact O-CG1 3.49Å; E168-I172 PolarHBondContact O-N 2.79Å; C169-I172 PolarHBondContact O-N 3.38Å; I172-N175 PolarHBondContact O-N 3.02Å; I172-A176 WeakPolarHBondContact O-CB 3.45Å; I172-A176 PolarHBondContact O-N 2.92Å
173L97.6Very high93.4Very high0 Ų072 Ų720%036%0.363CS..Hα-helixtrans-64.5-42.7179.2-71.6164.5000111.7I125 A129 V137 A157 A158 A161 C169 E171 N175 A176 Q177I125-L173 HydrophobicContact CD1-CD2 3.51Å; I125-L173 HydrophobicContact CG1-CD2 3.72Å; A129-L173 HydrophobicContact CB-CD1 3.7Å; V137-L173 HydrophobicContact CG1-CD1 4.45Å; V137-L173 HydrophobicContact CG1-CD2 3.73Å; V137-L173 HydrophobicContact CG1-CG 3.88Å; V137-L173 HydrophobicContact CG2-CD1 4.37Å; A157-L173 HydrophobicContact CB-CD1 3.97Å; A157-L173 HydrophobicContact CB-CD2 4.17Å; A158-L173 HydrophobicContact CB-CB 3.69Å; A161-L173 HydrophobicContact CB-CD1 4.3Å; C169-L173 WeakPolarHBondContact O-CB 3.33Å; C169-L173 WeakPolarHBondContact O-CD1 3.34Å; C169-L173 WeakPolarHBondContact O-CG 3.32Å; C169-L173 PolarHBondContact O-N 3.34Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.83Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 3.07Å; L173-A176 PolarHBondContact O-N 3.44Å; L173-Q177 WeakPolarHBondContact O-CB 3.21Å; L173-Q177 VanDerWaalsContact O-CG 3.26Å; L173-Q177 WeakPolarHBondContact O-CG 3.1Å; L173-Q177 PolarHBondContact O-N 3.06Å
174S96.8Very high92.1Very high46 Ų4672.1 Ų72.132%0.32235%0.353SS..Hα-helixtrans-62.6-42.6176.5-59.80000111.6A170 E171 Q177 N178A170-S174 VanDerWaalsContact O-CB 3.31Å; A170-S174 WeakPolarHBondContact O-CB 3.45Å; A170-S174 PolarHBondContact O-N 2.81Å; A170-S174 PolarHBondContact O-OG 2.92Å; E171-S174 PolarHBondContact O-N 2.8Å; S174-Q177 PolarHBondContact O-N 2.87Å; S174-N178 PolarHBondContact O-N 3.3Å; S174-N178 VanDerWaalsContact O-N 3.08Å; S174-N178 PolarHBondContact O-ND2 3.09Å; S174-N178 VanDerWaalsContact O-ND2 3.07Å
175N95.7Very high90.9Very high88 Ų8873.3 Ų73.347%0.47136%0.361SS..Hα-helixtrans-64.1-42.8176.4-71.1-22.8000111.5E171 I172 L173 N178 L179E171-N175 WeakPolarHBondContact O-CB 3.31Å; E171-N175 VanDerWaalsContact O-CG 3.24Å; E171-N175 PolarHBondContact O-N 3.43Å; E171-N175 PolarHBondContact O-ND2 2.95Å; I172-N175 PolarHBondContact O-N 3.02Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 3.07Å; N175-N178 PolarHBondContact O-N 2.98Å; N175-L179 PolarHBondContact O-N 3.27Å
176A95.3Very high89.2Confident15 Ų1576.3 Ų76.312%0.12437%0.372CS..Hα-helixtrans-64.2-42.6176.500000112.4L141 A147 I172 L173 N178 L179 Q180L141-A176 HydrophobicContact CD1-CB 3.77Å; L141-A176 HydrophobicContact CD2-CB 3.68Å; L141-A176 HydrophobicContact CG-CB 4.36Å; A147-A176 HydrophobicContact CB-CB 4.15Å; I172-A176 WeakPolarHBondContact O-CB 3.45Å; I172-A176 PolarHBondContact O-N 2.92Å; L173-A176 PolarHBondContact O-N 3.44Å; A176-N178 VanDerWaalsContact C-N 3.35Å; A176-N178 PolarHBondContact O-N 3.46Å; A176-L179 PolarHBondContact O-N 2.85Å; A176-Q180 WeakPolarHBondContact O-CB 3.23Å; A176-Q180 VanDerWaalsContact O-CG 3.32Å; A176-Q180 WeakPolarHBondContact O-CG 3.27Å; A176-Q180 PolarHBondContact O-N 3.46Å
177Q92.9Very high87.3Confident32 Ų3278.4 Ų78.415%0.1538%0.383CS..Hα-helixtrans-56.5-48.3174.1-75.7174.319.400111.5A147 D148 S156 L173 S174 L179 Q180 R181A147-Q177 VanDerWaalsContact C-CG 3.47Å; A147-Q177 HydrophobicContact CB-CG 3.68Å; A147-Q177 WeakPolarHBondContact O-CG 3.13Å; A147-Q177 PolarHBondContact O-NE2 3.23Å; D148-Q177 HydrophobicContact CB-CG 4.44Å; S156-Q177 PolarHBondContact OG-NE2 3.45Å; S156-Q177 VanDerWaalsContact OG-NE2 3.13Å; L173-Q177 WeakPolarHBondContact O-CB 3.21Å; L173-Q177 VanDerWaalsContact O-CG 3.26Å; L173-Q177 WeakPolarHBondContact O-CG 3.1Å; L173-Q177 PolarHBondContact O-N 3.06Å; S174-Q177 PolarHBondContact O-N 2.87Å; Q177-L179 PolarHBondContact O-N 3.37Å; Q177-Q180 PolarHBondContact O-N 3.49Å; Q177-R181 WeakPolarHBondContact O-CB 3.4Å; Q177-R181 PolarHBondContact O-N 3.38Å
178N90.9Very high85.3Confident85 Ų8578.3 Ų78.346%0.45539%0.386SS..Hα-helixtrans-60.5-45.8178.1-72.3-38.1000111.3S174 N175 A176 R181 Y182S174-N178 PolarHBondContact O-N 3.3Å; S174-N178 VanDerWaalsContact O-N 3.08Å; S174-N178 PolarHBondContact O-ND2 3.09Å; S174-N178 VanDerWaalsContact O-ND2 3.07Å; N175-N178 PolarHBondContact O-N 2.98Å; A176-N178 VanDerWaalsContact C-N 3.35Å; A176-N178 PolarHBondContact O-N 3.46Å; N178-R181 WeakPolarHBondContact O-CB 3.15Å; N178-R181 PolarHBondContact O-N 3.45Å; N178-Y182 WeakPolarHBondContact O-CD2 3.11Å; N178-Y182 PolarHBondContact O-N 3.33Å
179L90Very high83.2Confident103 Ų10378.6 Ų78.654%0.53939%0.392SS..Hα-helixtrans-62.9-47179.5-175.963.8000112.3N175 A176 Q177 R181 Y182 Q183N175-L179 PolarHBondContact O-N 3.27Å; A176-L179 PolarHBondContact O-N 2.85Å; Q177-L179 PolarHBondContact O-N 3.37Å; L179-R181 VanDerWaalsContact C-N 3.28Å; L179-R181 PolarHBondContact O-N 3.37Å; L179-Y182 PolarHBondContact O-N 3.25Å; L179-Q183 WeakPolarHBondContact O-CG 3.33Å; L179-Q183 PolarHBondContact O-N 3.36Å
180Q88.4Confident80.9Confident35 Ų3581.5 Ų81.516%0.16442%0.422CS..Hα-helixtrans-61.8-37.4177.2-71.3178.2-7.800111.3A145 A176 Q177 Q183 N184A145-Q180 PolarHBondContact O-NE2 3.04Å; A176-Q180 WeakPolarHBondContact O-CB 3.23Å; A176-Q180 VanDerWaalsContact O-CG 3.32Å; A176-Q180 WeakPolarHBondContact O-CG 3.27Å; A176-Q180 PolarHBondContact O-N 3.46Å; Q177-Q180 PolarHBondContact O-N 3.49Å; Q180-Q183 PolarHBondContact O-N 2.89Å; Q180-N184 PolarHBondContact O-N 3.5Å; Q180-N184 VanDerWaalsContact O-N 3.14Å; Q180-N184 PolarHBondContact O-ND2 2.9Å
181R85.9Confident78.6Confident170 Ų17090.4 Ų90.464%0.64246%0.46SS*.Hα-helixtrans-62.8-47.1174.2-173.1178.4175.181.21.2111.8Q177 N178 L179 Q183 N184 L185Q177-R181 WeakPolarHBondContact O-CB 3.4Å; Q177-R181 PolarHBondContact O-N 3.38Å; N178-R181 WeakPolarHBondContact O-CB 3.15Å; N178-R181 PolarHBondContact O-N 3.45Å; L179-R181 VanDerWaalsContact C-N 3.28Å; L179-R181 PolarHBondContact O-N 3.37Å; R181-Q183 PolarHBondContact O-N 3.1Å; R181-N184 PolarHBondContact O-N 2.72Å; R181-L185 HydrophobicContact CG-CD1 4.23Å; R181-L185 WeakPolarHBondContact O-CD1 3.28Å; R181-L185 PolarHBondContact O-N 3.01Å
182Y79.6Confident76.3Confident162 Ų16287.2 Ų87.264%0.63546%0.461SS*.Hα-helixtrans-62.2-39.9177-80.9-68.9000112.8N178 L179 N184 L185 T186N178-Y182 WeakPolarHBondContact O-CD2 3.11Å; N178-Y182 PolarHBondContact O-N 3.33Å; L179-Y182 PolarHBondContact O-N 3.25Å; Y182-N184 VanDerWaalsContact C-N 3.32Å; Y182-N184 PolarHBondContact O-N 2.91Å; Y182-L185 PolarHBondContact O-N 3.15Å; Y182-T186 PolarHBondContact O-N 3.46Å; Y182-T186 VanDerWaalsContact O-N 3.14Å; Y182-T186 PolarHBondContact O-OG1 3.3Å
183Q75.7Confident73.7Confident100 Ų10092.6 Ų92.647%0.46749%0.489SS..Hα-helixtrans-64-35.2176.8-72.7175.9-1500112.9L179 Q180 R181 T186 Q187L179-Q183 WeakPolarHBondContact O-CG 3.33Å; L179-Q183 PolarHBondContact O-N 3.36Å; Q180-Q183 PolarHBondContact O-N 2.89Å; R181-Q183 PolarHBondContact O-N 3.1Å; Q183-T186 PolarHBondContact O-OG1 3.47Å; Q183-Q187 WeakPolarHBondContact O-CG 3.29Å; Q183-Q187 PolarHBondContact O-N 3.41Å; Q183-Q187 PolarHBondContact O-NE2 2.78Å
184N70.8Confident71.2Confident84 Ų84100.9 Ų100.945%0.44953%0.533SS..Hα-helixtrans-68.3-38.8174.7-80.8-53.5000112.2Q180 R181 Y182 Q187 L188Q180-N184 PolarHBondContact O-N 3.5Å; Q180-N184 VanDerWaalsContact O-N 3.14Å; Q180-N184 PolarHBondContact O-ND2 2.9Å; R181-N184 PolarHBondContact O-N 2.72Å; Y182-N184 VanDerWaalsContact C-N 3.32Å; Y182-N184 PolarHBondContact O-N 2.91Å; N184-Q187 PolarHBondContact O-N 3.47Å; N184-L188 WeakPolarHBondContact O-CG 3.1Å; N184-L188 PolarHBondContact O-N 2.74Å
185L69.8Low68.7Low80 Ų80102.7 Ų102.742%0.41956%0.559SS.*Hα-helixtrans-64.5-40.4177.6-81.5145000112.8R181 Y182 L188 N189R181-L185 HydrophobicContact CG-CD1 4.23Å; R181-L185 WeakPolarHBondContact O-CD1 3.28Å; R181-L185 PolarHBondContact O-N 3.01Å; Y182-L185 PolarHBondContact O-N 3.15Å; L185-L188 PolarHBondContact O-N 2.73Å; L185-N189 WeakPolarHBondContact O-CB 3.45Å; L185-N189 PolarHBondContact O-N 3.49Å
186T59.6Low65.9Low97 Ų97102.6 Ų102.660%0.59557%0.571SS**Hα-helixtrans-69.9-36177.950.70000112.4Y182 Q183 N189 G190Y182-T186 PolarHBondContact O-N 3.46Å; Y182-T186 VanDerWaalsContact O-N 3.14Å; Y182-T186 PolarHBondContact O-OG1 3.3Å; Q183-T186 PolarHBondContact O-OG1 3.47Å; T186-N189 PolarHBondContact O-N 2.98Å; T186-G190 PolarHBondContact O-N 2.96Å; T186-G190 VanDerWaalsContact O-N 3.09Å
187Q58.1Low63.3Low119 Ų119109.1 Ų109.156%0.55660%0.602SS**Hα-helixtrans-64-43172.5-72.1179.755.900111.6Q183 N184 N189 G190 F191Q183-Q187 WeakPolarHBondContact O-CG 3.29Å; Q183-Q187 PolarHBondContact O-N 3.41Å; Q183-Q187 PolarHBondContact O-NE2 2.78Å; N184-Q187 PolarHBondContact O-N 3.47Å; Q187-N189 PolarHBondContact O-N 2.68Å; Q187-G190 PolarHBondContact O-N 2.89Å; Q187-F191 WeakPolarHBondContact O-CD2 3.35Å
188L56.5Low60.8Low131 Ų131117 Ų11769%0.68664%0.639SS**Hα-helixtrans-65.4-38.7177.6-71.9169.1000112.9N184 L185 G190N184-L188 WeakPolarHBondContact O-CG 3.1Å; N184-L188 PolarHBondContact O-N 2.74Å; L185-L188 PolarHBondContact O-N 2.73Å; L188-G190 VanDerWaalsContact C-N 3.3Å; L188-G190 PolarHBondContact O-N 2.96Å
189N52.2Low58.3Low126 Ų126120.9 Ų120.967%0.67466%0.66SS**Hα-helixtrans-73.5-19.7177-73.9-19.2000113.5L185 T186 Q187L185-N189 WeakPolarHBondContact O-CB 3.45Å; L185-N189 PolarHBondContact O-N 3.49Å; T186-N189 PolarHBondContact O-N 2.98Å; Q187-N189 PolarHBondContact O-N 2.68Å
190G49.9Very low55.7Low65 Ų65119.7 Ų119.767%0.6767%0.673SS**Hα-helixtrans-79.8-13.8177.600000115.3T186 Q187 L188T186-G190 PolarHBondContact O-N 2.96Å; T186-G190 VanDerWaalsContact O-N 3.09Å; Q187-G190 PolarHBondContact O-N 2.89Å; L188-G190 VanDerWaalsContact C-N 3.3Å; L188-G190 PolarHBondContact O-N 2.96Å
191F50.5Low53.1Low192 Ų192121 Ų12184%0.84270%0.695SS**THydrogen-bonded Turntrans-92.9-3.3179.6-88.7-83.3000114.4Q187Q187-F191 WeakPolarHBondContact O-CD2 3.35Å
192G48Very low50.8Low58 Ų58121.6 Ų121.660%0.59871%0.705SS**SBendtrans-110.34.5-168.100000117.6
193L44.5Very low48.8Very low156 Ų156118.9 Ų118.982%0.81771%0.71SS**  trans-13566-177-67.6173.7000112.1
194N45Very low46.9Very low174 Ų174122.2 Ų122.293%0.9373%0.725SS**  trans-146.994.8156.4-92.9-28.6000108.7
195G43.4Very low45.7Very low84 Ų84123.5 Ų123.587%0.86674%0.738SS**  trans164.140.1173.700000116.6
196A38Very low44.1Very low87 Ų87127 Ų12772%0.71976%0.756SS**  trans-145103.7165.400000111.8
197I39.1Very low43.1Very low151 Ų151129.8 Ų129.877%0.77477%0.766SS**  trans75.393.4145-41.6172.7000117.2
198Q41.8Very low42.1Very low199 Ų199133.4 Ų133.493%0.9378%0.783SS**  -138.9113.9118.5-14.6-136.95.600110
199N37.5Very low40.9Very low165 Ų165130.2 Ų130.288%0.88278%0.781SS**  trans-67142.9159.8-88.8-39.9000109.4
200G35.5Very low40.1Very low79 Ų79135.8 Ų135.881%0.81479%0.793SS**  trans150.185.3153.800000116.3
201G34Very low39.4Very low61 Ų61137.8 Ų137.863%0.62980%0.797SS**  trans89.3107132.300000119.1
202H37.9Very low38.7Very low183 Ų183136 Ų13685%0.84780%0.795SS**  trans83.4107.2133.9-56.6-62.3000120.9
203S36.3Very low38.2Very low105 Ų105140.1 Ų140.173%0.73480%0.803SS**  trans77.2115.9130.259.80000122
204H36.7Very low37.9Very low170 Ų170140.8 Ų140.879%0.78781%0.807SS**  trans81.3121140.4-94.8-76.4000120.8
205P46.4Very low37.4Very low112 Ų112136 Ų13673%0.72780%0.799SS**  trans-102.2112.2165.734.3-22000110.3
206L35Very low37.2Very low154 Ų154136.6 Ų136.681%0.80680%0.796SS**  trans-152.8143.5164-79.8-178.2000112.1
207I38.7Very low37.8Very low155 Ų155137.8 Ų137.880%0.79580%0.797SS**  trans99.789.4157.5-44.6-154.1000117.5
208Q36.3Very low37.7Very low194 Ų194137 Ų13791%0.90779%0.794SS**  trans-46.3130.3140.4176.2166-10.500113.6
209G33.2Very low37.9Very low64 Ų64138 Ų13866%0.6679%0.789SS**  trans167.3107.3163.700000117
210R34.2Very low38Very low243 Ų243139.5 Ų139.592%0.91779%0.788SS**  trans55112.8139.2-65.1179.6172.5-178.9-2.8118
211S35.7Very low38.4Very low108 Ų108148.1 Ų148.176%0.75580%0.796SS**  62.1118.786.7-159.70000113
212L34.9Very low38.5Very low153 Ų153149.8 Ų149.880%0.80180%0.798SS**  trans179.9118.9130.9-90.8173.2000110.7
213L39Very low38.3Very low145 Ų145149.9 Ų149.976%0.75980%0.796SS**  trans22.6131.6136.7-57170.1000120
214N38.5Very low38.2Very low170 Ų170150.4 Ų150.491%0.90979%0.791SS**  trans143.5133.7142-73.5-10.5000108.1
215G34.3Very low38.2Very low74 Ų74149.1 Ų149.176%0.76379%0.79SS**  cis165.8129.510.100000104.3
216A37.6Very low37.6Very low97 Ų97151.7 Ų151.780%0.80279%0.794SS**  trans-70-164.9177.300000111.3
217P52.4Low37.8Very low112 Ų112151.8 Ų151.873%0.72779%0.79SS**  -122.5167.7-7133.4-17.9000110.7
218N37Very low37.8Very low135 Ų135150.7 Ų150.772%0.72279%0.786SS**  trans-158.1148166.1-86.9-63.1000109.4
219R45.7Very low37.6Very low219 Ų219146.4 Ų146.483%0.82677%0.769SS**  cis-168.2145.2-22.2-160.6178.8-74-173.7-4.6104
220K39.6Very low37.6Very low197 Ų197150 Ų15086%0.85777%0.769SS**  trans-50.9147.2176.1-63.7171.9174.31800112.5
221R42.3Very low37.8Very low260 Ų260144.5 Ų144.598%0.98176%0.756SS**  trans-112.3108.2155.2-142.6179.5-162.6163.63.8107.8
222S36.5Very low38.3Very low96 Ų96148.9 Ų148.967%0.67176%0.762SS**  trans-101.9150.4165.849.50000108.6
223F33.5Very low38.7Very low185 Ų185150.4 Ų150.481%0.81176%0.762SS**  trans173.9103.6144-118-104.5000106.3
224D35.6Very low38.6Very low116 Ų116148.4 Ų148.462%0.6277%0.767SS**  72.1146.8100.9-75.9-49.3000113.7
225N35Very low38.7Very low143 Ų143150.5 Ų150.577%0.76576%0.762SS**  cis168.7164-24.2-124-28.7000104.5
226M35.3Very low38.9Very low166 Ų166153 Ų15382%0.81876%0.762SS**  trans75.5142.6172-75.1174.314800118.5
227E37.6Very low38.7Very low156 Ų156156.6 Ų156.673%0.72976%0.762SS**  cis-171.2138.9-29.2-130.5177162.100105.4
228D39.9Very low37.7Very low131 Ų131154.3 Ų154.370%0.70176%0.76SS**  trans68139.5139.4-118.811.8000125.8
229N32.5Very low37.8Very low104 Ų104157 Ų15756%0.55677%0.773SS**  trans93.9106.1141.3-75.4-34.6000123.1
230Q33.4Very low37.2Very low140 Ų140151.7 Ų151.765%0.65477%0.768SS**  94.8119.6111.7-80.7-179.959.900121.4
231I37.1Very low37.1Very low128 Ų128150 Ų15066%0.65677%0.767SS**  trans69.8117.4134.9-48.1164.3000117.1
232K47.2Very low37.4Very low200 Ų200142.6 Ų142.687%0.8775%0.753SS**  178.4113.3107.4-89.8176.5-171.8172.30113.2
233K42.8Very low37.1Very low184 Ų184146.2 Ų146.280%0.876%0.764SS**  trans-58139.3154.7-175.6-179.7-173.2177.70110
234A37.2Very low37Very low104 Ų104140.5 Ų140.586%0.8676%0.757SS**  trans-127124.4159.100000109
235R39.4Very low36.9Very low214 Ų214142.4 Ų142.481%0.80877%0.765SS**  trans-129.2131.5165-155.8-174.2-158.2155.16.9104
236T38.4Very low36.8Very low126 Ų126142.4 Ų142.477%0.77376%0.764SS**  trans-149.8116.3162.4-55.10000108.3
237E33.2Very low36.9Very low172 Ų172141.9 Ų141.980%0.80476%0.764SS**  trans33.7131.4137.4-39.9-65.4129.200117.7
238G33.2Very low36.6Very low65 Ų65137.2 Ų137.267%0.6776%0.758SS**  cis106.7107.530.500000109.7
239L38.5Very low36.5Very low191 Ų191139 Ų139100%177%0.768SS**  trans-155.3141.9148.7-82.7-171.1000110.2
240C32.6Very low36.4Very low108 Ų108137.7 Ų137.773%0.7378%0.778SS**  trans-125.6127-162.2177.70000109.1
241L37.1Very low36.4Very low160 Ų160139.4 Ų139.484%0.83879%0.791SS**  trans48.3176.2148.2-61.9175.5000118.8
242P49.9Very low36.3Very low105 Ų105139.4 Ų139.468%0.68280%0.797SS**  cis-142.4-170.56.642.7-22.1000116.7
243L29.8Very low35.6Very low172 Ų172136.5 Ų136.590%0.90180%0.8SS**  trans70.4135.3158.6-98.862000116.7
244G30.4Very low34.9Very low65 Ų65131.1 Ų131.167%0.6780%0.797SS**  cis127.5133.522.300000108.5
245M34.4Very low34.8Very low157 Ų157133.2 Ų133.277%0.77380%0.799SS**  trans99109.3156.8-55.7-79.67400121.1
246L34Very low34.5Very low143 Ų143126.6 Ų126.675%0.74980%0.797SS**  91.3143118.9-66.1172000122.4
247N35.6Very low34.3Very low154 Ų154128.8 Ų128.882%0.82480%0.798SS**  trans76.9120.2169.5-83.421.7000117.5
248G31.6Very low34.3Very low58 Ų58127.6 Ų127.660%0.59880%0.803SS**  cis105.911223.600000109.3
249N38.9Very low34.2Very low170 Ų170131.1 Ų131.191%0.90981%0.805SS**  trans155.2109.6161.3-79.8-0000105.5
250G30.1Very low33.9Very low75 Ų75130 Ų13077%0.77380%0.797SS**  cis97.790.329.300000109.8
251L33.7Very low33.8Very low176 Ų176133.3 Ų133.392%0.92180%0.802SS**  -173.2142.2120-143.675.2000112.3
252V34.8Very low33.8Very low129 Ų129129.6 Ų129.678%0.78279%0.789SS**  trans-95144.9-179.3-104.80000110.9
253C31.2Very low32.9Very low139 Ų139132 Ų13294%0.93979%0.793SS**  trans171.4140.3146.8-110.10000106.7
254G29.9Very low33.1Very low71 Ų71133 Ų13373%0.73279%0.793SS**  cis-176.4164.17.900000108.5
255V34.7Very low33.2Very low148 Ų148138.2 Ų138.290%0.89780%0.8SS**  trans-65.3150.4-177.4-173.30000111.5
256G32.6Very low33Very low75 Ų75139.6 Ų139.677%0.77380%0.804SS**  trans-167.481.3170.300000113.2
257E35.2Very low33Very low171 Ų171136.7 Ų136.780%0.79980%0.796SS**  trans-60.5145.8148-68.1177.5137.800109.6
258V33.2Very low32.9Very low148 Ų148137.9 Ų137.990%0.89780%0.799SS**  trans-148.3127.6141.6-157.70000110.2
259L29.1Very low32.7Very low139 Ų139143.7 Ų143.773%0.72881%0.81SS**  trans-67.3152.2167.7-100.897.6000113.1
260M32.2Very low32.3Very low166 Ų166140.3 Ų140.382%0.81880%0.8SS**  32.2139.7121-142.3173.3-162.900121
261E30.6Very low32.3Very low178 Ų178141.3 Ų141.383%0.83280%0.801SS**  trans152.8143.5138.1-85.2-169.7142.200108.6
262S37.7Very low32Very low82 Ų82137.7 Ų137.757%0.57380%0.797SS**  cis-174.4154.32.2-101.20000110.5
263M32.2Very low31.8Very low155 Ų155139.1 Ų139.176%0.76480%0.799SS**  trans60.5124136.6-64.5171.749.400121.9
264H32.8Very low32.1Very low193 Ų193138.6 Ų138.689%0.89479%0.794SS**  -152.1131.9106.8-85.9-61000110.9
265Q31.7Very low32.1Very low176 Ų176138.9 Ų138.982%0.82279%0.789SS**  trans-133.3130.6176.9175.496.814.700106.5
266E30.7Very low31.8Very low186 Ų186138.9 Ų138.987%0.86979%0.789SS**  trans-143.4107155.5-76.5-168.5132.600104.5
267S33.4Very low31.7Very low82 Ų82140.2 Ų140.257%0.57379%0.787SS**  82.6118.571.4690000115
268M34Very low31.5Very low179 Ų179137.7 Ų137.788%0.88279%0.788SS**  trans53.1139.9145.2-74155.1148.700118.8
269E28.2Very low31.3Very low179 Ų179134.1 Ų134.184%0.83678%0.781SS**  -170167.952.3-163145.7137.300112.6
270S29.6Very low31.7Very low99 Ų99135.1 Ų135.169%0.69279%0.787SS**  trans-84.4162.6-17654.30000116.7
271A30Very low32.6Very low96 Ų96132.1 Ų132.179%0.79378%0.78SS**  trans78.1122.6143.400000120.3
272A28.9Very low32.8Very low101 Ų101131 Ų13184%0.83578%0.779SS**  154.6145.5106.700000112.4
273L30.1Very low32.6Very low158 Ų158135.2 Ų135.283%0.82779%0.789SS**  trans-62172.8177.2-60.9163.5000112.8
274P37.2Very low32.6Very low129 Ų129132 Ų13284%0.83879%0.787SS**  -135.6151.79233.3-19.3000114.6
275A29.4Very low32.6Very low76 Ų76125.9 Ų125.963%0.62878%0.777SS**  trans-90175.7169.600000111.7
276V29.8Very low32.7Very low148 Ų148126 Ų12690%0.89778%0.782SS**  trans101137.7169.7-48.40000114.9
277S30Very low32.7Very low103 Ų103120.4 Ų120.472%0.7277%0.774SS**  cis178.2160.1-12.4172.70000105.3
278S30.5Very low32.8Very low119 Ų119121.9 Ų121.983%0.83278%0.784SS**  trans71.9134.7162.872.30000117.2
279G29.6Very low32.7Very low73 Ų73122.7 Ų122.775%0.75379%0.785SS**  cis-178147.71.300000109.2
280D36.3Very low32.8Very low160 Ų160117.4 Ų117.486%0.85678%0.779SS**  trans-65.2163.4151.2-76-35.9000108.6
281P50.9Low33.2Very low102 Ų102120.3 Ų120.366%0.66279%0.785SS**  -159.3-173.950.334.5-6.8000119.4
282L35.7Very low33.8Very low154 Ų154121.6 Ų121.681%0.80679%0.785SS**  trans88.2140.9153.4-49.7-179.8000116.9
283E33.5Very low34.1Very low171 Ų171124.5 Ų124.580%0.79979%0.786SS**  cis-177175.71.2-118.9-106129.400109.4
284A32.3Very low34.1Very low87 Ų87123 Ų12372%0.71978%0.779SS**  trans94.9102.6170.900000114.7
285G32.5Very low33.7Very low65 Ų65125.9 Ų125.967%0.6777%0.773SS**  cis80.2124.932.600000108.7
286L34.3Very low33.8Very low179 Ų179130 Ų13094%0.93778%0.779SS**  cis-159.114541.3-68.4160.9000107.3
287G30.1Very low34.1Very low68 Ų68128.8 Ų128.870%0.70178%0.775SS**  96.4137.767.400000109.4
288C36.1Very low34.8Very low114 Ų114129.6 Ų129.677%0.7778%0.778SS**  cis-173.2148.826.1-86.70000111
289E32.1Very low35.5Very low195 Ų195129.4 Ų129.491%0.91177%0.774SS**  56.8143.6129.3-51.5-113.1123.400120.3
290G29.8Very low35.8Very low69 Ų69132.2 Ų132.271%0.71178%0.777SS**  cis172157.910.900000109.2
291I38.2Very low35.5Very low159 Ų159132.2 Ų132.282%0.81577%0.772SS**  trans-85.9156.2175.5-58.4163.7000109.2
292P43.4Very low34.6Very low124 Ų124134.3 Ų134.381%0.80578%0.776SS**  -141.8158115.727.2-7.5000115.9
293L35.2Very low34.4Very low161 Ų161135 Ų13584%0.84378%0.781SS**  trans-59.4152.1171.6-72.7135.2000114.2
294N30.1Very low34.3Very low128 Ų128130.2 Ų130.268%0.68478%0.777SS**  153.4144.2107.1-150.29.9000114.4
295R27.8Very low34.4Very low189 Ų189132 Ų13271%0.71378%0.783SS**  trans63.5117.3151.1-86.3176.1-155.9-1659.5121.6
296H31.6Very low34.3Very low163 Ų163135.6 Ų135.676%0.75579%0.787SS**  158.6126.295.3-93.8-29000112.6
297C35.6Very low34.3Very low121 Ų121132.7 Ų132.782%0.81878%0.782SS**  trans-75.2158.8152.6-65.20000109.7
298P44.5Very low34.3Very low121 Ų121135 Ų13579%0.78678%0.782SS**  -141163.7107.236.2-22.5000115.1
299P46.3Very low34.1Very low115 Ų115137.3 Ų137.375%0.74779%0.785SS**  trans-99.8164176.538.8-31.1000112.4
300T35.8Very low34Very low131 Ų131132 Ų13280%0.80477%0.774SS**  trans-147.4116.2161.823.20000112.5
301H30.4Very low35.1Very low161 Ų161134.3 Ų134.375%0.74578%0.777SS**  trans52.1114.8137.9-72-98.8000120.6
302L31.2Very low34.7Very low145 Ų145130.7 Ų130.776%0.75977%0.771SS**  78.2109.272.4-82.3171000115
303N32.6Very low34Very low170 Ų170131.5 Ų131.591%0.90977%0.769SS**  trans-179.5128.1136.4-89.4-9.6000106.6
304G30.1Very low33.8Very low70 Ų70131 Ų13172%0.72277%0.765SS**  cis122.29511.700000110.4
305C35.7Very low33.7Very low125 Ų125130.9 Ų130.985%0.84577%0.769SS**  trans155.1101.1150.661.90000108
306D29.9Very low34.9Very low140 Ų140126.5 Ų126.575%0.74977%0.765SS**  54.1110.265.3-15410000114.8
307S33.2Very low34.7Very low118 Ų118126.7 Ų126.783%0.82577%0.766SS**  trans-175.2101.4137.1-71.90000110.3
308T30.8Very low34.5Very low116 Ų116128.3 Ų128.371%0.71276%0.761SS**  trans-26148.7150.154.20000115.5
309I32.9Very low33.8Very low163 Ų163127.2 Ų127.284%0.83675%0.752SS**  -171.5139.987.7-81.7157.4000109.3
310A28.2Very low32.8Very low82 Ų82131.1 Ų131.168%0.67875%0.753SS**  trans-94.9-156.917800000111.2
311P54Low32.4Very low119 Ų119133.9 Ų133.977%0.77375%0.749SS**  -131.2-159.3-54.629.6-8000111.7
312A29.6Very low32.2Very low83 Ų83132.7 Ų132.769%0.68675%0.748SS**  trans95.1138.2156.200000114.9
313D28Very low32.1Very low141 Ų141130.1 Ų130.175%0.75475%0.748SS**  cis-175164.511.2-128.9-19.6000111.2
314I31.2Very low31.9Very low150 Ų150126.2 Ų126.277%0.76974%0.739SS**  trans85.8117.8147.6-61.8155.5000120.5
315V28.8Very low31.8Very low126 Ų126131.2 Ų131.276%0.76474%0.743SS**  trans-94.8-155.3172.2-148.30000109.2
316P52.4Low31.4Very low97 Ų97132.8 Ų132.863%0.6374%0.738SS**  -114.7-176.2-77.123.8-1.5000112.3
317H28.7Very low31.3Very low166 Ų166133.3 Ų133.377%0.76974%0.738SS**  trans-175.2116.3138-103.5-80.8000108.1
318H30.1Very low31.1Very low155 Ų155134.6 Ų134.672%0.71874%0.74SS**  64.3141.387.3-81.7-57.8000113.6
319V29Very low31.2Very low98 Ų98132.8 Ų132.859%0.59474%0.737SS**  cis-172.7156.12.9164.50000106.7
320Y25.3Very low31.1Very low197 Ų197132.1 Ų132.177%0.77374%0.741SS**  trans139.6116.7138-99.8-90.1000110.9
321R28Very low31.1Very low190 Ų190131.6 Ų131.672%0.71774%0.743SS**  cis97.6124.243.8-141.1-161.7-156.7154.18.4113
322D26.9Very low30.2Very low135 Ų135134.3 Ų134.372%0.72275%0.751SS**  trans77.5119.7147.1-75.1-19.1000124.4
323A28.6Very low30.3Very low92 Ų92135.4 Ų135.476%0.7676%0.76SS**  77.4122.9115.300000123.3
324A27.7Very low30.8Very low87 Ų87131.9 Ų131.972%0.71976%0.757SS**  72120.4127.300000122.8
325E28.7Very low31.4Very low175 Ų175130.1 Ų130.182%0.81876%0.758SS**  trans60.7117.1132.6-61.1-175.7170.300121.7
326H28.4Very low31.7Very low159 Ų159132.3 Ų132.374%0.73676%0.76SS**  -174.1128.3109-117.2-96.5000114
327M26.6Very low31.2Very low151 Ų151133 Ų13374%0.74476%0.762SS**  trans47.6117.1141.7-68.6-178.980.100122.6
328V30.2Very low31.7Very low145 Ų145132.6 Ų132.688%0.87976%0.761SS**  trans-137.7129.1134.91780000109.3
329A31Very low32Very low77 Ų77132.5 Ų132.564%0.63676%0.76SS**  trans-88.5154.3172.600000111.6
330T31.3Very low32.3Very low150 Ų150135.2 Ų135.292%0.9277%0.766SS**  trans135.5132.9163.148.50000107.8
331G28.9Very low33.2Very low71 Ų71129.6 Ų129.673%0.73275%0.753SS**  cis-174.6150.9-0.900000106.8A333G331-A333 PolarHBondContact O-N 3.05Å
332N33.8Very low33.6Very low176 Ų176122.6 Ų122.694%0.94173%0.733SS**  trans-48.6127.4-178.9-94.4-2.9000114.9
333A33.4Very low34.3Very low106 Ų106119.7 Ų119.788%0.87672%0.72SS**  trans-161.857.1149.400000110.9G331G331-A333 PolarHBondContact O-N 3.05Å
334G37.7Very low35.1Very low66 Ų66118.8 Ų118.868%0.6871%0.705SS**  trans-118.294.7176.100000110.7
335S42.9Very low35.6Very low114 Ų114117 Ų11780%0.79769%0.69SS**SBendtrans173.174.3156.4-85.80000109.1
336Q36Very low36Very low171 Ų171115.1 Ų115.180%0.79968%0.681SS**SBendtrans-172.8-12.5156.3-108.7176.91400113.2
337V41Very low36.7Very low112 Ų112113.5 Ų113.568%0.67967%0.674SS**SBendtrans-88-29.5179.4-178.30000113H339 Q340 T341V337-H339 VanDerWaalsContact C-N 3.33Å; V337-H339 PolarHBondContact O-N 3.15Å; V337-Q340 PolarHBondContact O-N 3.28Å; V337-T341 PolarHBondContact O-N 3.12Å; V337-T341 PolarHBondContact O-OG1 2.86Å
338E39.6Very low37.4Very low157 Ų157111.6 Ų111.673%0.73466%0.664SS**Hα-helixtrans-73.9-20.7-175.5-65.7-177.9155.900114.1T341 S342E338-T341 PolarHBondContact O-OG1 3.09Å; E338-S342 WeakPolarHBondContact O-CB 3.25Å; E338-S342 PolarHBondContact O-N 3.33Å; E338-S342 PolarHBondContact O-OG 3.49Å
339H37.4Very low37.6Very low154 Ų154112 Ų11271%0.71365%0.65SS**Hα-helixtrans-82.4-14.7175.9-95.8-67.1000114.1V337 S342 V343V337-H339 VanDerWaalsContact C-N 3.33Å; V337-H339 PolarHBondContact O-N 3.15Å; H339-S342 WeakPolarHBondContact CA-OG 3.44Å; H339-S342 PolarHBondContact O-OG 3.48Å; H339-V343 WeakPolarHBondContact O-CG2 3.45Å
340Q35.1Very low37.8Very low154 Ų154113.4 Ų113.472%0.7265%0.647SS**Hα-helixtrans-93-34.7174.8-70.9179.417.300111.8V337 T344V337-Q340 PolarHBondContact O-N 3.28Å; Q340-T344 PolarHBondContact O-N 3.43Å; Q340-T344 PolarHBondContact O-OG1 2.88Å
341T43.8Very low38.5Very low80 Ų80108.6 Ų108.649%0.49161%0.614SS.*Hα-helixtrans-71.1-29.8175.348.30000113.2V337 E338 T344 A345V337-T341 PolarHBondContact O-N 3.12Å; V337-T341 PolarHBondContact O-OG1 2.86Å; E338-T341 PolarHBondContact O-OG1 3.09Å; T341-T344 WeakPolarHBondContact CA-OG1 3.38Å; T341-T344 PolarHBondContact O-OG1 3.29Å; T341-A345 WeakPolarHBondContact O-CB 3.48Å; T341-A345 PolarHBondContact O-N 2.95Å; T341-A345 VanDerWaalsContact O-N 3.09Å
342S37Very low39.1Very low43 Ų43111.2 Ų111.230%0.30161%0.607SS.*Hα-helixtrans-71.7-37.9177.342.30000112.7E338 H339 T344 A345 E346E338-S342 WeakPolarHBondContact O-CB 3.25Å; E338-S342 PolarHBondContact O-N 3.33Å; E338-S342 PolarHBondContact O-OG 3.49Å; H339-S342 WeakPolarHBondContact CA-OG 3.44Å; H339-S342 PolarHBondContact O-OG 3.48Å; S342-T344 PolarHBondContact O-N 2.97Å; S342-A345 PolarHBondContact O-N 2.88Å; S342-E346 WeakPolarHBondContact O-CB 3.34Å; S342-E346 PolarHBondContact O-N 3.33Å
343V41.4Very low39.4Very low74 Ų74108.2 Ų108.245%0.44859%0.588SS.*Hα-helixtrans-66.3-38.8176.6179.90000111H339 Q347H339-V343 WeakPolarHBondContact O-CG2 3.45Å; V343-Q347 VanDerWaalsContact O-CB 3.27Å; V343-Q347 WeakPolarHBondContact O-CB 3.43Å; V343-Q347 WeakPolarHBondContact O-CG 3.42Å; V343-Q347 PolarHBondContact O-N 3.12Å
344T44.9Very low39.8Very low73 Ų73107.4 Ų107.445%0.44856%0.563SS.*Hα-helixtrans-68.6-34.617444.60000113.2Q340 T341 S342 Q348Q340-T344 PolarHBondContact O-N 3.43Å; Q340-T344 PolarHBondContact O-OG1 2.88Å; T341-T344 WeakPolarHBondContact CA-OG1 3.38Å; T341-T344 PolarHBondContact O-OG1 3.29Å; S342-T344 PolarHBondContact O-N 2.97Å; T344-Q348 WeakPolarHBondContact O-CB 3.5Å; T344-Q348 VanDerWaalsContact O-CG 3.23Å; T344-Q348 WeakPolarHBondContact O-CG 3.39Å; T344-Q348 PolarHBondContact O-N 3.28Å
345A37.7Very low40.2Very low48 Ų48107.1 Ų107.140%0.39755%0.545SS..Hα-helixtrans-76.7-38.7179.600000112.8T341 S342 Q348 Y349T341-A345 WeakPolarHBondContact O-CB 3.48Å; T341-A345 PolarHBondContact O-N 2.95Å; T341-A345 VanDerWaalsContact O-N 3.09Å; S342-A345 PolarHBondContact O-N 2.88Å; A345-Q348 PolarHBondContact O-N 3.05Å; A345-Y349 WeakPolarHBondContact O-CB 3.38Å; A345-Y349 PolarHBondContact O-N 2.86Å
346E37.2Very low40.2Very low136 Ų136108.4 Ų108.464%0.63654%0.539SS*.Hα-helixtrans-69.5-34.4173.4-74.2-171.216200111.9S342 Y349 N350S342-E346 WeakPolarHBondContact O-CB 3.34Å; S342-E346 PolarHBondContact O-N 3.33Å; E346-Y349 PolarHBondContact O-N 2.96Å; E346-N350 WeakPolarHBondContact O-CB 3.42Å; E346-N350 PolarHBondContact O-N 3.49Å; E346-N350 PolarHBondContact O-ND2 2.92Å
347Q43Very low40.5Very low126 Ų126102.7 Ų102.759%0.58952%0.521SS*.Hα-helixtrans-63.4-44.4168.8-76.6172.8-6.900111V343 Y349 H351V343-Q347 VanDerWaalsContact O-CB 3.27Å; V343-Q347 WeakPolarHBondContact O-CB 3.43Å; V343-Q347 WeakPolarHBondContact O-CG 3.42Å; V343-Q347 PolarHBondContact O-N 3.12Å; Q347-Y349 PolarHBondContact O-N 3.45Å; Q347-H351 WeakPolarHBondContact O-CB 3.48Å; Q347-H351 PolarHBondContact O-N 2.92Å
348Q42.3Very low40.9Very low111 Ų111100.1 Ų100.152%0.51950%0.502SS..Hα-helixtrans-62.2-39.5175.8-79.7173.4-32.500113.3T344 A345 H351 Q352T344-Q348 WeakPolarHBondContact O-CB 3.5Å; T344-Q348 VanDerWaalsContact O-CG 3.23Å; T344-Q348 WeakPolarHBondContact O-CG 3.39Å; T344-Q348 PolarHBondContact O-N 3.28Å; A345-Q348 PolarHBondContact O-N 3.05Å; Q348-H351 PolarHBondContact O-N 3.43Å; Q348-Q352 PolarHBondContact O-N 3.33Å
349Y33.9Very low41.3Very low152 Ų15297.9 Ų97.960%0.59649%0.491SS*.Hα-helixtrans-70.9-45.9178.7-170.8-94000112.1A345 E346 Q347 H351 Q352 Q353A345-Y349 WeakPolarHBondContact O-CB 3.38Å; A345-Y349 PolarHBondContact O-N 2.86Å; E346-Y349 PolarHBondContact O-N 2.96Å; Q347-Y349 PolarHBondContact O-N 3.45Å; Y349-H351 VanDerWaalsContact C-N 3.26Å; Y349-H351 PolarHBondContact O-N 2.89Å; Y349-Q352 PolarHBondContact O-N 3.34Å; Y349-Q353 PolarHBondContact O-N 2.71Å; Y349-Q353 VanDerWaalsContact O-N 3.12Å
350N36.1Very low41.4Very low108 Ų10893.4 Ų93.458%0.57848%0.477SS*.Hα-helixtrans-62.9-34.2173-84.3-41000111.7E346 Q353 Y354E346-N350 WeakPolarHBondContact O-CB 3.42Å; E346-N350 PolarHBondContact O-N 3.49Å; E346-N350 PolarHBondContact O-ND2 2.92Å; N350-Q353 PolarHBondContact O-N 3.5Å; N350-Y354 WeakPolarHBondContact O-CB 3.38Å; N350-Y354 PolarHBondContact O-N 3.07Å
351H45.2Very low41.9Very low48 Ų4889.7 Ų89.722%0.22247%0.465CS..Hα-helixtrans-67.5-38.3176.7-158.886.2000112.4F97 Q347 Q348 Y349 N355F97-H351 AromaticContact CD1-CE1 3.96Å; F97-H351 AromaticContact CD1-NE2 3.6Å; F97-H351 AromaticContact CE1-CE1 3.39Å; F97-H351 WeakPolarHBondContact CE1-CE1 3.29Å; F97-H351 AromaticContact CE1-NE2 3.05Å; F97-H351 WeakPolarHBondContact CE1-NE2 3.49Å; F97-H351 AromaticContact CZ-CE1 3.48Å; F97-H351 VanDerWaalsContact CZ-CE1 3.48Å; F97-H351 WeakPolarHBondContact CZ-CE1 3.13Å; F97-H351 AromaticContact CZ-NE2 3.62Å; Q347-H351 WeakPolarHBondContact O-CB 3.48Å; Q347-H351 PolarHBondContact O-N 2.92Å; Q348-H351 PolarHBondContact O-N 3.43Å; Y349-H351 VanDerWaalsContact C-N 3.26Å; Y349-H351 PolarHBondContact O-N 2.89Å; H351-N355 PolarHBondContact CD2-ND2 3.48Å; H351-N355 VanDerWaalsContact CD2-ND2 3.34Å; H351-N355 WeakPolarHBondContact O-CB 3.43Å; H351-N355 PolarHBondContact O-N 3.42Å; H351-N355 PolarHBondContact O-ND2 2.92Å
352Q41.9Very low42Very low126 Ų12691.5 Ų91.559%0.58947%0.469SS*.Hα-helixtrans-67.8-41174-76.7-177.5-13.100112.6Q348 Y349 N355 H356Q348-Q352 PolarHBondContact O-N 3.33Å; Y349-Q352 PolarHBondContact O-N 3.34Å; Q352-N355 PolarHBondContact O-N 3.34Å; Q352-H356 PolarHBondContact O-N 3.37Å; Q352-H356 VanDerWaalsContact O-N 3.09Å
353Q38.7Very low42.4Very low113 Ų11395 Ų9553%0.52848%0.483SS..Hα-helixtrans-72.1-34.2179-162153.7-600112.1Y349 N350 H356 A357Y349-Q353 PolarHBondContact O-N 2.71Å; Y349-Q353 VanDerWaalsContact O-N 3.12Å; N350-Q353 PolarHBondContact O-N 3.5Å; Q353-H356 PolarHBondContact O-N 3.06Å; Q353-A357 WeakPolarHBondContact O-CB 3.45Å; Q353-A357 PolarHBondContact O-N 3.33Å
354Y43.7Very low42.4Very low90 Ų9097.9 Ų97.935%0.35350%0.496SS..Hα-helixtrans-68.9-37.9173.4-165.9-100000112.3Q164 N350 H356 A357 L358Q164-Y354 VanDerWaalsContact CD-OH 3.24Å; Q164-Y354 PolarHBondContact NE2-OH 2.86Å; Q164-Y354 PolarHBondContact OE1-OH 3.46Å; N350-Y354 WeakPolarHBondContact O-CB 3.38Å; N350-Y354 PolarHBondContact O-N 3.07Å; Y354-H356 VanDerWaalsContact C-N 3.34Å; Y354-H356 PolarHBondContact O-N 2.79Å; Y354-A357 PolarHBondContact O-N 2.74Å; Y354-L358 HydrophobicContact CD1-CD1 3.74Å; Y354-L358 HydrophobicContact CD1-CG 4.12Å; Y354-L358 HydrophobicContact CE1-CD1 3.18Å; Y354-L358 HydrophobicContact CE1-CD2 4.44Å; Y354-L358 HydrophobicContact CE1-CG 3.71Å; Y354-L358 WeakPolarHBondContact O-CB 3.22Å; Y354-L358 PolarHBondContact O-N 3.39Å
355N44.9Very low42.2Very low59 Ų59104.2 Ų104.232%0.31651%0.513SS..Hα-helixtrans-61.4-40.7170.4-83-55.5000111.8H351 Q352 F359H351-N355 PolarHBondContact CD2-ND2 3.48Å; H351-N355 VanDerWaalsContact CD2-ND2 3.34Å; H351-N355 WeakPolarHBondContact O-CB 3.43Å; H351-N355 PolarHBondContact O-N 3.42Å; H351-N355 PolarHBondContact O-ND2 2.92Å; Q352-N355 PolarHBondContact O-N 3.34Å; N355-F359 WeakPolarHBondContact O-CB 3.23Å; N355-F359 PolarHBondContact O-N 3.23Å
356H43.9Very low42.5Very low142 Ų142110.6 Ų110.666%0.65753%0.534SS*.Hα-helixtrans-66.8-39.6174.8-166.2-81.8000112.3Q352 Q353 Y354 S360Q352-H356 PolarHBondContact O-N 3.37Å; Q352-H356 VanDerWaalsContact O-N 3.09Å; Q353-H356 PolarHBondContact O-N 3.06Å; Y354-H356 VanDerWaalsContact C-N 3.34Å; Y354-H356 PolarHBondContact O-N 2.79Å; H356-S360 VanDerWaalsContact O-CB 3.23Å; H356-S360 WeakPolarHBondContact O-CB 3.36Å; H356-S360 PolarHBondContact O-N 2.94Å
357A40.7Very low42.8Very low51 Ų51106.9 Ų106.942%0.42153%0.532SS..Hα-helixtrans-69.7-42.5179.600000113Q353 Y354 S360 T361Q353-A357 WeakPolarHBondContact O-CB 3.45Å; Q353-A357 PolarHBondContact O-N 3.33Å; Y354-A357 PolarHBondContact O-N 2.74Å; A357-S360 PolarHBondContact O-N 3.06Å; A357-T361 PolarHBondContact O-N 3.05Å; A357-T361 PolarHBondContact O-OG1 3.25Å
358L50Low42.4Very low57 Ų57110.4 Ų110.430%0.29857%0.571SS.*Hα-helixtrans-68.2-38.6174.2-78.7-175.4000112.3Y354 S360 T361 M362Y354-L358 HydrophobicContact CD1-CD1 3.74Å; Y354-L358 HydrophobicContact CD1-CG 4.12Å; Y354-L358 HydrophobicContact CE1-CD1 3.18Å; Y354-L358 HydrophobicContact CE1-CD2 4.44Å; Y354-L358 HydrophobicContact CE1-CG 3.71Å; Y354-L358 WeakPolarHBondContact O-CB 3.22Å; Y354-L358 PolarHBondContact O-N 3.39Å; L358-S360 VanDerWaalsContact C-N 3.34Å; L358-T361 WeakPolarHBondContact CA-OG1 3.18Å; L358-T361 PolarHBondContact O-N 2.66Å; L358-T361 PolarHBondContact O-OG1 3Å; L358-M362 VanDerWaalsContact O-CB 3.28Å; L358-M362 WeakPolarHBondContact O-CB 3.34Å; L358-M362 WeakPolarHBondContact O-CG 3.47Å; L358-M362 PolarHBondContact O-N 3.49Å
359F48.6Very low42.4Very low110 Ų110110.4 Ų110.448%0.48257%0.574SS.*Hα-helixtrans-66.6-38.2176.7-161.7-97.4000111.5F87 N355 L363F87-F359 HydrophobicContact CZ-CE2 4.42Å; N355-F359 WeakPolarHBondContact O-CB 3.23Å; N355-F359 PolarHBondContact O-N 3.23Å; F359-L363 HydrophobicContact CD1-CD1 3.89Å; F359-L363 HydrophobicContact CE1-CD1 3.74Å; F359-L363 HydrophobicContact CE1-CG 4.47Å; F359-L363 WeakPolarHBondContact O-CG 3.36Å; F359-L363 PolarHBondContact O-N 2.94Å; F359-L363 VanDerWaalsContact O-N 3.15Å
360S38.5Very low42.9Very low61 Ų61108.2 Ų108.243%0.42757%0.572SS.*Hα-helixtrans-70.7-38.8176.2-1600000112.8H356 A357 L358 L364H356-S360 VanDerWaalsContact O-CB 3.23Å; H356-S360 WeakPolarHBondContact O-CB 3.36Å; H356-S360 PolarHBondContact O-N 2.94Å; A357-S360 PolarHBondContact O-N 3.06Å; L358-S360 VanDerWaalsContact C-N 3.34Å; S360-L364 PolarHBondContact O-N 3.23Å
361T45.4Very low43.2Very low76 Ų76108.2 Ų108.247%0.46657%0.572SS.*Hα-helixtrans-73.6-28.317638.90000113.4A357 L358A357-T361 PolarHBondContact O-N 3.05Å; A357-T361 PolarHBondContact O-OG1 3.25Å; L358-T361 WeakPolarHBondContact CA-OG1 3.18Å; L358-T361 PolarHBondContact O-N 2.66Å; L358-T361 PolarHBondContact O-OG1 3Å
362M46.3Very low43.1Very low118 Ų118111.8 Ų111.858%0.58159%0.593SS**Hα-helixtrans-76.5-33.1174.9-73.8-80.5-125.100113.2L358 L364 Y365L358-M362 VanDerWaalsContact O-CB 3.28Å; L358-M362 WeakPolarHBondContact O-CB 3.34Å; L358-M362 WeakPolarHBondContact O-CG 3.47Å; L358-M362 PolarHBondContact O-N 3.49Å; M362-L364 VanDerWaalsContact C-N 3.28Å; M362-L364 PolarHBondContact O-N 3.34Å; M362-Y365 PolarHBondContact O-N 3.06Å
363L45.5Very low43.2Very low115 Ų115110.9 Ų110.960%0.60259%0.593SS**Hα-helixtrans-67.8-28.5172.8-77.1171.5000112.7F359 Y365F359-L363 HydrophobicContact CD1-CD1 3.89Å; F359-L363 HydrophobicContact CE1-CD1 3.74Å; F359-L363 HydrophobicContact CE1-CG 4.47Å; F359-L363 WeakPolarHBondContact O-CG 3.36Å; F359-L363 PolarHBondContact O-N 2.94Å; F359-L363 VanDerWaalsContact O-N 3.15Å; L363-Y365 VanDerWaalsContact C-N 3.3Å; L363-Y365 PolarHBondContact O-N 3.3Å
364L42.5Very low43.5Very low136 Ų136110.7 Ų110.771%0.71260%0.597SS**THydrogen-bonded Turntrans-71.3-20.6174.7-84.3160.3000113.7S360 M362S360-L364 PolarHBondContact O-N 3.23Å; M362-L364 VanDerWaalsContact C-N 3.28Å; M362-L364 PolarHBondContact O-N 3.34Å
365Y39.4Very low43.5Very low206 Ų206112.2 Ų112.281%0.80862%0.615SS**THydrogen-bonded Turntrans-90.1-6.6179.2-98.8-87.8000114.7M362 L363M362-Y365 PolarHBondContact O-N 3.06Å; L363-Y365 VanDerWaalsContact C-N 3.3Å; L363-Y365 PolarHBondContact O-N 3.3Å
366H44.1Very low43.4Very low182 Ų182116.3 Ų116.384%0.84364%0.638SS**SBendtrans-120.415.4176.4-84.6-65000114.2
367G43.9Very low43.3Very low57 Ų57114.2 Ų114.259%0.58864%0.636SS**  trans-10877.6170.800000112.2
368S34.9Very low43.6Very low201 Ų201119.9 Ų119.9100%1.40666%0.656SS**  trans-153.70159-70.50000110

Retrieved 368 of 368 residues in 76.3 ms (Link to these results)

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