A0A087YM67_POEFO Loading...

Barrier to autointegration nuclear assembly factor 1

AlphaFold DB , UniProt , Accession A0A087YM67, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 90 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
1M42.4Very low83.3Confident245 Ų24592.6 Ų92.6100%1.20750%0.497SS*.  0113.10-69.9-148.2-75.400108.2S3M1-S3 PolarHBondContact O-N 3.04Å
2S52.3Low84.5Confident106 Ų10686.5 Ų86.574%0.74147%0.465SS*.PPolyproline II helixtrans-78.4118.8172.7-1730000107.2
3S74.7Confident85.4Confident106 Ų10685.9 Ų85.974%0.74148%0.48SS*.PPolyproline II helixtrans-65.2138.2169.350.10000109.3M1M1-S3 PolarHBondContact O-N 3.04Å
4T82.2Confident86.2Confident61 Ų6187.1 Ų87.137%0.37448%0.479SS..PPolyproline II helixtrans-71149.9169.350.20000109.8K9T4-K9 WeakPolarHBondContact OG1-CE 3.25Å
5S91.3Very high86.9Confident53 Ų5387 Ų8737%0.37149%0.485SS..PPolyproline II helixtrans-67.3158.2178.768.90000111.2K7 H8 K9S5-K7 PolarHBondContact O-N 2.7Å; S5-H8 WeakPolarHBondContact O-CB 3.41Å; S5-H8 PolarHBondContact O-N 2.69Å; S5-H8 WeakPolarHBondContact OG-CB 3.42Å; S5-H8 PolarHBondContact OG-N 3.02Å; S5-H8 VanDerWaalsContact OG-N 3.12Å; S5-K9 PolarHBondContact O-N 3.22Å; S5-K9 VanDerWaalsContact O-N 3.15Å
6Q93.5Very high87.5Confident142 Ų14282.1 Ų82.166%0.66446%0.457SS*.Hα-helixtrans-56.7-43.1172.7178.5173.9-3.700111.3H8 K9 E10Q6-H8 VanDerWaalsContact C-N 3.3Å; Q6-H8 PolarHBondContact O-N 2.91Å; Q6-K9 WeakPolarHBondContact O-CB 3.35Å; Q6-K9 PolarHBondContact O-N 2.93Å; Q6-E10 HydrophobicContact CG-CG 4.3Å; Q6-E10 VanDerWaalsContact CG-OE1 3.23Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.09Å; Q6-E10 PolarHBondContact NE2-OE1 3.43Å; Q6-E10 WeakPolarHBondContact O-CG 3.18Å; Q6-E10 PolarHBondContact O-N 2.93Å
7K95.1Very high88Confident66 Ų6680.1 Ų80.129%0.28746%0.46SS..Hα-helixtrans-55.8-42176-172.6175.9-171.6176.40113.3S5 F11 M22 A23 L24 I27S5-K7 PolarHBondContact O-N 2.7Å; K7-F11 WeakPolarHBondContact O-CB 3.41Å; K7-F11 PolarHBondContact O-N 3.33Å; K7-M22 WeakPolarHBondContact CE-O 3.12Å; K7-M22 PolarHBondContact NZ-O 3.34Å; K7-A23 VanDerWaalsContact CE-O 3.26Å; K7-A23 WeakPolarHBondContact CE-O 3.43Å; K7-A23 WeakPolarHBondContact CG-O 3.21Å; K7-L24 WeakPolarHBondContact CE-O 3.3Å; K7-L24 PolarHBondContact NZ-O 2.93Å; K7-I27 PolarHBondContact NZ-O 3.15Å
8H96.4Very high88.6Confident12 Ų1282.2 Ų82.26%0.05647%0.465CS..Hα-helixtrans-60.5-51.4173.8-177.3119.2000110.8S5 Q6 E10 F11 V12 A25 C81 E84S5-H8 WeakPolarHBondContact O-CB 3.41Å; S5-H8 PolarHBondContact O-N 2.69Å; S5-H8 WeakPolarHBondContact OG-CB 3.42Å; S5-H8 PolarHBondContact OG-N 3.02Å; S5-H8 VanDerWaalsContact OG-N 3.12Å; Q6-H8 VanDerWaalsContact C-N 3.3Å; Q6-H8 PolarHBondContact O-N 2.91Å; H8-E10 VanDerWaalsContact C-N 3.33Å; H8-E10 PolarHBondContact O-N 3.35Å; H8-F11 PolarHBondContact O-N 3.17Å; H8-F11 VanDerWaalsContact O-N 3.12Å; H8-V12 WeakPolarHBondContact O-CG2 3.47Å; H8-V12 PolarHBondContact O-N 2.84Å; H8-A25 HydrophobicContact CB-CB 3.83Å; H8-C81 VanDerWaalsContact CE1-CA 3.42Å; H8-C81 WeakPolarHBondContact CE1-CA 3.39Å; H8-C81 PolarHBondContact CE1-N 3.04Å; H8-E84 IonicContact CD2-OE2 3.79Å; H8-E84 IonicContact CE1-OE2 3.47Å; H8-E84 PolarHBondContact CE1-OE2 3.12Å; H8-E84 IonicContact NE2-OE1 3.98Å; H8-E84 IonicContact NE2-OE2 2.7Å; H8-E84 PolarHBondContact NE2-OE2 3.5Å
9K95.9Very high89.1Confident119 Ų11980.1 Ų80.152%0.51745%0.45SS..Hα-helixtrans-58.8-43.6-178.7-65.3174.5-176.2-179.90112T4 S5 Q6 F11 A13T4-K9 WeakPolarHBondContact OG1-CE 3.25Å; S5-K9 PolarHBondContact O-N 3.22Å; S5-K9 VanDerWaalsContact O-N 3.15Å; Q6-K9 WeakPolarHBondContact O-CB 3.35Å; Q6-K9 PolarHBondContact O-N 2.93Å; K9-F11 VanDerWaalsContact C-N 3.32Å; K9-F11 PolarHBondContact O-N 2.92Å; K9-A13 VanDerWaalsContact O-CB 3.26Å; K9-A13 WeakPolarHBondContact O-CB 3.39Å; K9-A13 PolarHBondContact O-N 3.34Å; K9-A13 VanDerWaalsContact O-N 3.16Å
10E95.4Very high89.5Confident106 Ų10679.3 Ų79.350%0.49545%0.448SS..Hα-helixtrans-65.2-35.6177.1-72.2170.3-179.200112.2Q6 H8 K19Q6-E10 HydrophobicContact CG-CG 4.3Å; Q6-E10 VanDerWaalsContact CG-OE1 3.23Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.09Å; Q6-E10 PolarHBondContact NE2-OE1 3.43Å; Q6-E10 WeakPolarHBondContact O-CG 3.18Å; Q6-E10 PolarHBondContact O-N 2.93Å; H8-E10 VanDerWaalsContact C-N 3.33Å; H8-E10 PolarHBondContact O-N 3.35Å; E10-K19 PolarHBondContact O-NZ 3.04Å
11F97.1Very high89.9Confident3 Ų375.5 Ų75.51%0.01343%0.427CS..Hα-helixtrans-71.1-45.1178.6-168.3-88.6000112.3K7 H8 K9 A13 M16 K19 A23 L24 A43 C81 W85K7-F11 WeakPolarHBondContact O-CB 3.41Å; K7-F11 PolarHBondContact O-N 3.33Å; H8-F11 PolarHBondContact O-N 3.17Å; H8-F11 VanDerWaalsContact O-N 3.12Å; K9-F11 VanDerWaalsContact C-N 3.32Å; K9-F11 PolarHBondContact O-N 2.92Å; F11-A13 VanDerWaalsContact C-N 3.31Å; F11-A13 PolarHBondContact O-N 3.42Å; F11-M16 HydrophobicContact CE1-CB 4.25Å; F11-M16 HydrophobicContact CE1-CE 3.87Å; F11-M16 HydrophobicContact CE2-CB 3.99Å; F11-M16 HydrophobicContact CZ-CB 3.55Å; F11-M16 HydrophobicContact CZ-CE 3.73Å; F11-M16 HydrophobicContact CZ-CG 4.4Å; F11-M16 HydrophobicContact CZ-SD 4.03Å; F11-K19 HydrophobicContact CD2-CD 4.08Å; F11-K19 HydrophobicContact CE2-CD 4.08Å; F11-A23 HydrophobicContact CD2-CB 3.97Å; F11-A23 HydrophobicContact CE2-CB 4.15Å; F11-L24 HydrophobicContact CD1-CD2 4.3Å; F11-L24 HydrophobicContact CD2-CD2 4.3Å; F11-L24 HydrophobicContact CE1-CD2 3.69Å; F11-L24 HydrophobicContact CE2-CD2 3.71Å; F11-L24 HydrophobicContact CE2-CG 4.35Å; F11-L24 HydrophobicContact CZ-CD2 3.36Å; F11-L24 HydrophobicContact CZ-CG 4.39Å; F11-A43 HydrophobicContact CE2-CB 3.78Å; F11-A43 HydrophobicContact CZ-CB 3.87Å; F11-C81 WeakPolarHBondContact CD1-SG 3.39Å; F11-W85 HydrophobicContact CD1-CB 4.33Å; F11-W85 AromaticContact CD1-CD1 3.94Å; F11-W85 HydrophobicContact CD1-CG 4.31Å; F11-W85 HydrophobicContact CE1-CB 4.13Å; F11-W85 AromaticContact CE1-CD1 3.75Å; F11-W85 AromaticContact CE1-CG 3.9Å; F11-W85 HydrophobicContact CE1-CG 3.9Å
12V97.1Very high92.6Very high19 Ų1966.6 Ų66.612%0.11538%0.383CS..Hα-helixtrans-80.5-8.5-176.7-54.60000113.9H8 E14 E84 W85 F89H8-V12 WeakPolarHBondContact O-CG2 3.47Å; H8-V12 PolarHBondContact O-N 2.84Å; V12-E14 VanDerWaalsContact C-N 3.34Å; V12-E84 HydrophobicContact CB-CG 4.32Å; V12-E84 HydrophobicContact CG1-CB 4.09Å; V12-E84 HydrophobicContact CG1-CG 4.13Å; V12-W85 HydrophobicContact CG1-CB 4.29Å; V12-F89 VanDerWaalsContact O-CE2 3.3Å; V12-F89 WeakPolarHBondContact O-CE2 3.42Å
13A96.9Very high94.8Very high79 Ų7962.7 Ų62.765%0.65336%0.357SS*.THydrogen-bonded Turntrans-77.6-16.4-179.600000114.1K9 F11K9-A13 VanDerWaalsContact O-CB 3.26Å; K9-A13 WeakPolarHBondContact O-CB 3.39Å; K9-A13 PolarHBondContact O-N 3.34Å; K9-A13 VanDerWaalsContact O-N 3.16Å; F11-A13 VanDerWaalsContact C-N 3.31Å; F11-A13 PolarHBondContact O-N 3.42Å
14E95.9Very high95.9Very high102 Ų10257.7 Ų57.748%0.47732%0.322SS..SBendtrans-149.6159.9-175.864-179.2-171.800112.3V12 M16 K19 W85V12-E14 VanDerWaalsContact C-N 3.34Å; E14-M16 PolarHBondContact O-N 3.45Å; E14-K19 VanDerWaalsContact CG-NZ 3.29Å; E14-K19 WeakPolarHBondContact OE1-CE 3.4Å; E14-K19 IonicContact OE1-NZ 2.68Å; E14-K19 PolarHBondContact OE1-NZ 2.79Å; E14-W85 PolarHBondContact O-NE1 2.68Å
15P97.1Very high96.6Very high86 Ų8654.8 Ų54.856%0.55830%0.304SS*.  trans-55.1135.9171.9-25.535.1000111.7G17 F89P15-G17 VanDerWaalsContact C-N 3.31Å; P15-G17 PolarHBondContact O-N 3.19Å; P15-F89 HydrophobicContact CG-CD1 4.1Å; P15-F89 HydrophobicContact CG-CE1 4.03Å
16M96.9Very high96.9Very high8 Ų853.1 Ų53.14%0.03930%0.296CS..  trans-70.2-22.6-170.370.3178.16900114.9F11 E14 E18 K19 A43 L47 L82 W85F11-M16 HydrophobicContact CE1-CB 4.25Å; F11-M16 HydrophobicContact CE1-CE 3.87Å; F11-M16 HydrophobicContact CE2-CB 3.99Å; F11-M16 HydrophobicContact CZ-CB 3.55Å; F11-M16 HydrophobicContact CZ-CE 3.73Å; F11-M16 HydrophobicContact CZ-CG 4.4Å; F11-M16 HydrophobicContact CZ-SD 4.03Å; E14-M16 PolarHBondContact O-N 3.45Å; M16-E18 PolarHBondContact O-N 2.9Å; M16-K19 WeakPolarHBondContact O-CB 3.42Å; M16-K19 WeakPolarHBondContact O-CD 3.46Å; M16-K19 WeakPolarHBondContact O-CG 3.41Å; M16-K19 PolarHBondContact O-N 3.46Å; M16-A43 HydrophobicContact SD-CB 4.07Å; M16-L47 HydrophobicContact CE-CB 4.2Å; M16-L47 HydrophobicContact CE-CD1 4.5Å; M16-L47 HydrophobicContact CE-CD2 3.62Å; M16-L47 HydrophobicContact CE-CG 4.3Å; M16-L47 HydrophobicContact SD-CB 4.24Å; M16-L47 HydrophobicContact SD-CD2 4.03Å; M16-L82 HydrophobicContact CE-CD2 4.44Å; M16-W85 HydrophobicContact CB-CZ2 4.22Å; M16-W85 HydrophobicContact CE-CD2 3.32Å; M16-W85 VanDerWaalsContact CE-CE2 3.47Å; M16-W85 HydrophobicContact CE-CE3 3.39Å; M16-W85 HydrophobicContact CE-CG 3.97Å; M16-W85 HydrophobicContact CE-CH2 3.79Å; M16-W85 HydrophobicContact CE-CZ2 3.72Å; M16-W85 HydrophobicContact CE-CZ3 3.63Å; M16-W85 HydrophobicContact CG-CH2 4.41Å; M16-W85 HydrophobicContact CG-CZ2 3.92Å
17G96.4Very high97.1Very high49 Ų4946.5 Ų46.551%0.50527%0.265SS..THydrogen-bonded Turntrans46.9-131.5-179.400000113P15 K19 Y44P15-G17 VanDerWaalsContact C-N 3.31Å; P15-G17 PolarHBondContact O-N 3.19Å; G17-K19 VanDerWaalsContact C-N 3.34Å; G17-Y44 WeakPolarHBondContact O-CD1 3.28Å
18E97.5Very high97.2Very high118 Ų11845 Ų4555%0.55127%0.268SS*.THydrogen-bonded Turntrans-93.822.8179.5-70.2-67.5144.400113.5M16 K42 Y44M16-E18 PolarHBondContact O-N 2.9Å; E18-K42 PolarHBondContact O-NZ 3.39Å; E18-K42 WeakPolarHBondContact OE2-CE 3.33Å; E18-K42 IonicContact OE2-NZ 3.95Å; E18-Y44 WeakPolarHBondContact OE1-CE1 3.33Å; E18-Y44 WeakPolarHBondContact OE2-CE1 3.26Å
19K98.1Very high97.2Very high41 Ų4152 Ų5218%0.17830%0.301CS..  trans-54.4138.2178.6-79.1176.4-172.6-173.60110.6E10 F11 E14 M16 G17 A23 A43E10-K19 PolarHBondContact O-NZ 3.04Å; F11-K19 HydrophobicContact CD2-CD 4.08Å; F11-K19 HydrophobicContact CE2-CD 4.08Å; E14-K19 VanDerWaalsContact CG-NZ 3.29Å; E14-K19 WeakPolarHBondContact OE1-CE 3.4Å; E14-K19 IonicContact OE1-NZ 2.68Å; E14-K19 PolarHBondContact OE1-NZ 2.79Å; M16-K19 WeakPolarHBondContact O-CB 3.42Å; M16-K19 WeakPolarHBondContact O-CD 3.46Å; M16-K19 WeakPolarHBondContact O-CG 3.41Å; M16-K19 PolarHBondContact O-N 3.46Å; G17-K19 VanDerWaalsContact C-N 3.34Å; K19-A23 HydrophobicContact CB-CB 3.91Å; K19-A23 HydrophobicContact CD-CB 4.27Å; K19-A23 HydrophobicContact CG-CB 4.4Å; K19-A43 HydrophobicContact CB-CB 4.45Å; K19-A43 PolarHBondContact O-N 3.14Å
20P98.3Very high97.3Very high65 Ų6551.7 Ų51.742%0.42231%0.309SS..BIsolated β-bridgetrans-63.6158.6177.429.4-35.8000110.6M22 A23P20-M22 PolarHBondContact O-N 3.48Å; P20-M22 VanDerWaalsContact O-N 3.15Å; P20-A23 HydrophobicContact CG-CB 4.44Å; P20-A23 WeakPolarHBondContact O-CB 3.18Å; P20-A23 PolarHBondContact O-N 3.25Å
21V98.3Very high97.5Very high0 Ų047 Ų470%029%0.287CS..G310 helixtrans-57.3-31.9177.468.70000112.4A23 L24 I27 L35 E36 F40 D41 V46V21-A23 PolarHBondContact O-N 2.93Å; V21-A23 VanDerWaalsContact O-N 3.12Å; V21-L24 HydrophobicContact CG2-CD1 4.28Å; V21-L24 WeakPolarHBondContact O-CB 3.07Å; V21-L24 PolarHBondContact O-N 3.22Å; V21-L24 VanDerWaalsContact O-N 3.14Å; V21-I27 HydrophobicContact CG2-CG2 4.45Å; V21-L35 HydrophobicContact CG1-CB 4.35Å; V21-L35 HydrophobicContact CG2-CB 4.16Å; V21-L35 HydrophobicContact CG2-CD1 3.69Å; V21-L35 HydrophobicContact CG2-CG 4.5Å; V21-E36 HydrophobicContact CG1-CG 4.1Å; V21-F40 VanDerWaalsContact CB-O 3.23Å; V21-F40 WeakPolarHBondContact CB-O 3.34Å; V21-F40 WeakPolarHBondContact CG1-O 3.41Å; V21-F40 WeakPolarHBondContact CG2-O 3.5Å; V21-D41 PolarHBondContact N-O 3.25Å; V21-V46 HydrophobicContact CG2-CG2 3.55Å
22M97.8Very high97.5Very high58 Ų5846.9 Ų46.929%0.28629%0.286SS..G310 helixtrans-67.4-4.5174.7-59.2-174.4-141.700113.6K7 P20 L24 E29 E36K7-M22 WeakPolarHBondContact CE-O 3.12Å; K7-M22 PolarHBondContact NZ-O 3.34Å; P20-M22 PolarHBondContact O-N 3.48Å; P20-M22 VanDerWaalsContact O-N 3.15Å; M22-L24 VanDerWaalsContact C-N 3.32Å; M22-E29 HydrophobicContact SD-CB 4.49Å; M22-E29 HydrophobicContact SD-CG 4.21Å; M22-E36 WeakPolarHBondContact CE-OE1 3.48Å
23A97.8Very high97.6Very high24 Ų2447 Ų4720%0.19829%0.292CS..G310 helixtrans-77.1-21.7171.400000112.2K7 F11 K19 P20 V21K7-A23 VanDerWaalsContact CE-O 3.26Å; K7-A23 WeakPolarHBondContact CE-O 3.43Å; K7-A23 WeakPolarHBondContact CG-O 3.21Å; F11-A23 HydrophobicContact CD2-CB 3.97Å; F11-A23 HydrophobicContact CE2-CB 4.15Å; K19-A23 HydrophobicContact CB-CB 3.91Å; K19-A23 HydrophobicContact CD-CB 4.27Å; K19-A23 HydrophobicContact CG-CB 4.4Å; P20-A23 HydrophobicContact CG-CB 4.44Å; P20-A23 WeakPolarHBondContact O-CB 3.18Å; P20-A23 PolarHBondContact O-N 3.25Å; V21-A23 PolarHBondContact O-N 2.93Å; V21-A23 VanDerWaalsContact O-N 3.12Å
24L97.9Very high97.7Very high0 Ų047.4 Ų47.40%028%0.279CS..SBendtrans-65.6137.8179.7-66.9170.5000111.3K7 F11 V21 M22 I27 A43 V46 L82K7-L24 WeakPolarHBondContact CE-O 3.3Å; K7-L24 PolarHBondContact NZ-O 2.93Å; F11-L24 HydrophobicContact CD1-CD2 4.3Å; F11-L24 HydrophobicContact CD2-CD2 4.3Å; F11-L24 HydrophobicContact CE1-CD2 3.69Å; F11-L24 HydrophobicContact CE2-CD2 3.71Å; F11-L24 HydrophobicContact CE2-CG 4.35Å; F11-L24 HydrophobicContact CZ-CD2 3.36Å; F11-L24 HydrophobicContact CZ-CG 4.39Å; V21-L24 HydrophobicContact CG2-CD1 4.28Å; V21-L24 WeakPolarHBondContact O-CB 3.07Å; V21-L24 PolarHBondContact O-N 3.22Å; V21-L24 VanDerWaalsContact O-N 3.14Å; M22-L24 VanDerWaalsContact C-N 3.32Å; L24-I27 HydrophobicContact CB-CB 4.23Å; L24-I27 HydrophobicContact CB-CG1 3.77Å; L24-I27 HydrophobicContact CD1-CG1 4.5Å; L24-I27 PolarHBondContact O-N 3.13Å; L24-A43 HydrophobicContact CD1-CB 4.41Å; L24-A43 HydrophobicContact CD2-CB 4.25Å; L24-A43 HydrophobicContact CG-CB 4.11Å; L24-V46 HydrophobicContact CD1-CB 3.87Å; L24-V46 HydrophobicContact CD1-CG1 3.85Å; L24-V46 HydrophobicContact CD1-CG2 4.22Å; L24-L82 HydrophobicContact CD2-CD2 3.58Å; L24-L82 HydrophobicContact CD2-CG 4.02Å
25A98Very high97.8Very high0 Ų042.6 Ų42.60%026%0.256CS..THydrogen-bonded Turntrans-59.8145.1171.900000110H8 I27 C78 C81H8-A25 HydrophobicContact CB-CB 3.83Å; A25-I27 PolarHBondContact O-N 3.26Å; A25-C78 WeakPolarHBondContact O-CA 3.4Å; A25-C78 VanDerWaalsContact O-CB 3.26Å; A25-C78 WeakPolarHBondContact O-CB 3.41Å; A25-C78 PolarHBondContact O-N 3.35Å; A25-C81 HydrophobicContact CB-CB 3.72Å
26G97.1Very high97.9Very high19 Ų1942.1 Ų42.120%0.19625%0.247CC..THydrogen-bonded Turntrans78.8-16.2-175.300000115.4Q74G26-Q74 WeakPolarHBondContact O-CB 3.06Å; G26-Q74 WeakPolarHBondContact O-CG 3.17Å
27I98.3Very high97.9Very high2 Ų249.7 Ų49.71%0.0128%0.282CS..  trans-100.2105.8178.4-50.5-54.4000110.2K7 V21 L24 A25 L31 L35 L64 C78K7-I27 PolarHBondContact NZ-O 3.15Å; V21-I27 HydrophobicContact CG2-CG2 4.45Å; L24-I27 HydrophobicContact CB-CB 4.23Å; L24-I27 HydrophobicContact CB-CG1 3.77Å; L24-I27 HydrophobicContact CD1-CG1 4.5Å; L24-I27 PolarHBondContact O-N 3.13Å; A25-I27 PolarHBondContact O-N 3.26Å; I27-L31 HydrophobicContact CD1-CD1 4.3Å; I27-L31 HydrophobicContact CG2-CB 4.13Å; I27-L35 HydrophobicContact CD1-CD1 4.13Å; I27-L35 HydrophobicContact CG1-CD1 4.48Å; I27-L35 HydrophobicContact CG2-CD1 3.93Å; I27-L64 HydrophobicContact CD1-CD1 4.12Å; I27-L64 HydrophobicContact CD1-CD2 4.11Å; I27-C78 HydrophobicContact CD1-CB 4.18Å; I27-C78 HydrophobicContact CG1-CB 4.42Å
28G96.8Very high98Very high35 Ų3552.9 Ų52.936%0.36128%0.282SS..  trans-95.6-178.1170.800000112.1V30 L31 G32G28-V30 VanDerWaalsContact C-N 3.33Å; G28-V30 PolarHBondContact O-N 3.36Å; G28-L31 PolarHBondContact O-N 3.2Å; G28-L31 VanDerWaalsContact O-N 3.15Å; G28-G32 PolarHBondContact O-N 3.11Å
29E97.4Very high98Very high159 Ų15949.5 Ų49.574%0.74328%0.279SS*.Hα-helixtrans-52.5-45.5-176.5-65.8-178.9171.300113.5M22 L31 G32 G33M22-E29 HydrophobicContact SD-CB 4.49Å; M22-E29 HydrophobicContact SD-CG 4.21Å; E29-L31 PolarHBondContact O-N 2.91Å; E29-G32 PolarHBondContact O-N 2.84Å; E29-G33 PolarHBondContact O-N 2.92Å
30V98Very high98Very high112 Ų11249.2 Ų49.268%0.67928%0.277SS*.Hα-helixtrans-64.2-40.7-178.6178.90000112.4G28 K34G28-V30 VanDerWaalsContact C-N 3.33Å; G28-V30 PolarHBondContact O-N 3.36Å; V30-K34 WeakPolarHBondContact O-CG 3.47Å
31L98.3Very high98Very high8 Ų849.5 Ų49.54%0.04228%0.275CS..Hα-helixtrans-76.4-37.4177.4-65.1-171.5000111.2I27 G28 E29 K34 L35 C68 A70 Q74I27-L31 HydrophobicContact CD1-CD1 4.3Å; I27-L31 HydrophobicContact CG2-CB 4.13Å; G28-L31 PolarHBondContact O-N 3.2Å; G28-L31 VanDerWaalsContact O-N 3.15Å; E29-L31 PolarHBondContact O-N 2.91Å; L31-K34 PolarHBondContact O-N 3.01Å; L31-L35 WeakPolarHBondContact O-CB 3.15Å; L31-L35 WeakPolarHBondContact O-CG 3.39Å; L31-L35 PolarHBondContact O-N 3.2Å; L31-C68 HydrophobicContact CB-CB 4.43Å; L31-C68 HydrophobicContact CD2-CB 4.16Å; L31-C68 WeakPolarHBondContact CD2-O 3.42Å; L31-A70 HydrophobicContact CD1-CB 3.86Å; L31-Q74 HydrophobicContact CD1-CB 4.12Å; L31-Q74 VanDerWaalsContact CD1-CD 3.46Å; L31-Q74 HydrophobicContact CD1-CG 4.18Å
32G98.4Very high98Very high0 Ų052 Ų520%029%0.287CS..Hα-helixtrans-59.9-48.2176.700000111.9G28 E29 K34 L35 E36G28-G32 PolarHBondContact O-N 3.11Å; E29-G32 PolarHBondContact O-N 2.84Å; G32-K34 VanDerWaalsContact C-N 3.33Å; G32-K34 PolarHBondContact O-N 3.48Å; G32-L35 CarbonylContact O-C 3.6Å; G32-L35 WeakPolarHBondContact O-CA 3.38Å; G32-L35 WeakPolarHBondContact O-CB 3.14Å; G32-L35 PolarHBondContact O-N 2.98Å; G32-E36 WeakPolarHBondContact O-CB 3.3Å; G32-E36 WeakPolarHBondContact O-CG 3.34Å; G32-E36 PolarHBondContact O-N 3.43Å
33G98.5Very high98Very high22 Ų2249.3 Ų49.323%0.22727%0.273CS..Hα-helixtrans-59.4-41.6177.200000112.8E29 L35 E36 E37E29-G33 PolarHBondContact O-N 2.92Å; G33-L35 VanDerWaalsContact C-N 3.31Å; G33-L35 PolarHBondContact O-N 3.19Å; G33-E36 PolarHBondContact O-N 3.12Å; G33-E37 WeakPolarHBondContact O-CG 3.34Å; G33-E37 PolarHBondContact O-N 3.04Å
34K98.5Very high98.1Very high88 Ų8852.8 Ų52.838%0.38328%0.282SS..Hα-helixtrans-66.8-31.7175.1-68.4175.9-177.2-176.60113.4V30 L31 G32 K38 C68V30-K34 WeakPolarHBondContact O-CG 3.47Å; L31-K34 PolarHBondContact O-N 3.01Å; G32-K34 VanDerWaalsContact C-N 3.33Å; G32-K34 PolarHBondContact O-N 3.48Å; K34-K38 WeakPolarHBondContact O-CG 3.44Å; K34-C68 HydrophobicContact CB-CB 3.89Å; K34-C68 HydrophobicContact CD-CB 4.37Å; K34-C68 WeakPolarHBondContact CD-O 3.36Å; K34-C68 PolarHBondContact NZ-O 2.86Å
35L98.6Very high98.1Very high0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-71.8-45.4175.1-77.8166.9000110.1V21 I27 L31 G32 G33 E37 K38 G39 F40 W63 L64 T67 C68V21-L35 HydrophobicContact CG1-CB 4.35Å; V21-L35 HydrophobicContact CG2-CB 4.16Å; V21-L35 HydrophobicContact CG2-CD1 3.69Å; V21-L35 HydrophobicContact CG2-CG 4.5Å; I27-L35 HydrophobicContact CD1-CD1 4.13Å; I27-L35 HydrophobicContact CG1-CD1 4.48Å; I27-L35 HydrophobicContact CG2-CD1 3.93Å; L31-L35 WeakPolarHBondContact O-CB 3.15Å; L31-L35 WeakPolarHBondContact O-CG 3.39Å; L31-L35 PolarHBondContact O-N 3.2Å; G32-L35 CarbonylContact O-C 3.6Å; G32-L35 WeakPolarHBondContact O-CA 3.38Å; G32-L35 WeakPolarHBondContact O-CB 3.14Å; G32-L35 PolarHBondContact O-N 2.98Å; G33-L35 VanDerWaalsContact C-N 3.31Å; G33-L35 PolarHBondContact O-N 3.19Å; L35-E37 PolarHBondContact O-N 2.98Å; L35-K38 CarbonylContact O-C 3.43Å; L35-K38 WeakPolarHBondContact O-CA 3.23Å; L35-K38 PolarHBondContact O-N 3.44Å; L35-G39 PolarHBondContact O-N 3.21Å; L35-F40 HydrophobicContact CB-CB 3.93Å; L35-F40 HydrophobicContact CD2-CB 4.06Å; L35-F40 HydrophobicContact CD2-CD2 4.31Å; L35-F40 HydrophobicContact CD2-CG 4.26Å; L35-F40 WeakPolarHBondContact O-CA 3.43Å; L35-F40 WeakPolarHBondContact O-CB 3.2Å; L35-F40 PolarHBondContact O-N 3.46Å; L35-W63 HydrophobicContact CD2-CH2 4.22Å; L35-L64 HydrophobicContact CD1-CD1 4.44Å; L35-L64 HydrophobicContact CD2-CD1 4.49Å; L35-T67 HydrophobicContact CD2-CG2 3.72Å; L35-C68 HydrophobicContact CD2-CB 4.26Å; L35-C68 HydrophobicContact CG-CB 3.92Å
36E98.4Very high98.1Very high77 Ų7754.7 Ų54.736%0.3629%0.293SS..Hα-helixtrans-57.2-46.5174.4-78.3168.1-175.100112.1V21 M22 G32 G33 K38 G39 D41V21-E36 HydrophobicContact CG1-CG 4.1Å; M22-E36 WeakPolarHBondContact CE-OE1 3.48Å; G32-E36 WeakPolarHBondContact O-CB 3.3Å; G32-E36 WeakPolarHBondContact O-CG 3.34Å; G32-E36 PolarHBondContact O-N 3.43Å; G33-E36 PolarHBondContact O-N 3.12Å; E36-K38 PolarHBondContact O-N 2.89Å; E36-K38 VanDerWaalsContact O-N 3.11Å; E36-G39 PolarHBondContact O-N 3.01Å; E36-D41 HydrophobicContact CG-CB 3.96Å
37E98.2Very high98.2Very high167 Ų16754.7 Ų54.778%0.7829%0.289SS*.THydrogen-bonded Turntrans-57.1-26.4174.4-76.6173.6-17800113.1G33 L35G33-E37 WeakPolarHBondContact O-CG 3.34Å; G33-E37 PolarHBondContact O-N 3.04Å; L35-E37 PolarHBondContact O-N 2.98Å
38K97.9Very high98.2Very high116 Ų11656.1 Ų56.150%0.50430%0.304SS..THydrogen-bonded Turntrans-96.46.4177.9-67.9-177.1175.4-167.50113.4K34 L35 E36 F40 T67K34-K38 WeakPolarHBondContact O-CG 3.44Å; L35-K38 CarbonylContact O-C 3.43Å; L35-K38 WeakPolarHBondContact O-CA 3.23Å; L35-K38 PolarHBondContact O-N 3.44Å; E36-K38 PolarHBondContact O-N 2.89Å; E36-K38 VanDerWaalsContact O-N 3.11Å; K38-F40 HydrophobicContact CB-CD2 3.88Å; K38-F40 HydrophobicContact CB-CE2 4.16Å; K38-T67 HydrophobicContact CD-CG2 3.54Å; K38-T67 WeakPolarHBondContact CD-O 3.44Å; K38-T67 WeakPolarHBondContact CE-O 3.48Å; K38-T67 PolarHBondContact NZ-O 3.02Å
39G97.9Very high98.3Very high47 Ų4756.7 Ų56.749%0.48530%0.298SS..THydrogen-bonded Turntrans861217900000115L35 E36L35-G39 PolarHBondContact O-N 3.21Å; E36-G39 PolarHBondContact O-N 3.01Å
40F98.4Very high98.4Very high34 Ų3449.1 Ų49.115%0.14926%0.262CS..  trans-99.960.6175.1-61.3-88.5000110.3V21 L35 K38 V45 V46 Q49 W63 T67V21-F40 VanDerWaalsContact CB-O 3.23Å; V21-F40 WeakPolarHBondContact CB-O 3.34Å; V21-F40 WeakPolarHBondContact CG1-O 3.41Å; V21-F40 WeakPolarHBondContact CG2-O 3.5Å; L35-F40 HydrophobicContact CB-CB 3.93Å; L35-F40 HydrophobicContact CD2-CB 4.06Å; L35-F40 HydrophobicContact CD2-CD2 4.31Å; L35-F40 HydrophobicContact CD2-CG 4.26Å; L35-F40 WeakPolarHBondContact O-CA 3.43Å; L35-F40 WeakPolarHBondContact O-CB 3.2Å; L35-F40 PolarHBondContact O-N 3.46Å; K38-F40 HydrophobicContact CB-CD2 3.88Å; K38-F40 HydrophobicContact CB-CE2 4.16Å; F40-V45 HydrophobicContact CD1-CB 4.25Å; F40-V45 HydrophobicContact CD1-CG1 3.59Å; F40-V45 HydrophobicContact CE1-CG1 4.06Å; F40-V45 HydrophobicContact CG-CG1 4.31Å; F40-V46 HydrophobicContact CB-CG2 3.95Å; F40-V46 HydrophobicContact CD1-CG2 4.06Å; F40-V46 HydrophobicContact CG-CG2 4.38Å; F40-Q49 HydrophobicContact CE1-CB 4.08Å; F40-W63 HydrophobicContact CD1-CH2 4.29Å; F40-W63 HydrophobicContact CD1-CZ2 4.09Å; F40-W63 HydrophobicContact CD2-CZ2 4.43Å; F40-W63 HydrophobicContact CE1-CH2 4.22Å; F40-W63 AromaticContact CE1-CZ2 3.67Å; F40-W63 HydrophobicContact CE1-CZ2 3.67Å; F40-W63 HydrophobicContact CE2-CZ2 4.02Å; F40-W63 HydrophobicContact CG-CZ2 4.47Å; F40-W63 AromaticContact CZ-CZ2 3.63Å; F40-W63 HydrophobicContact CZ-CZ2 3.63Å; F40-T67 HydrophobicContact CD2-CG2 4.44Å; F40-T67 HydrophobicContact CE2-CG2 4.32Å
41D97.5Very high98.4Very high71 Ų7147 Ų4738%0.3825%0.247SC..  trans-80.5-28.2-175.567.8-43.3000113.6V21 E36V21-D41 PolarHBondContact N-O 3.25Å; E36-D41 HydrophobicContact CG-CB 3.96Å
42K98.6Very high98.4Very high54 Ų5451.6 Ų51.624%0.23528%0.275CS..BIsolated β-bridgetrans-109.3150.7177.6-53.6-61.5-168.1168.60112.7E18 Y44 V45E18-K42 PolarHBondContact O-NZ 3.39Å; E18-K42 WeakPolarHBondContact OE2-CE 3.33Å; E18-K42 IonicContact OE2-NZ 3.95Å; K42-Y44 HydrophobicContact CB-CD1 3.54Å; K42-Y44 HydrophobicContact CB-CD2 4.44Å; K42-Y44 HydrophobicContact CB-CE1 3.26Å; K42-Y44 HydrophobicContact CB-CE2 4.19Å; K42-Y44 HydrophobicContact CB-CG 4.14Å; K42-Y44 HydrophobicContact CD-CE1 4.42Å; K42-Y44 HydrophobicContact CG-CD1 4.25Å; K42-Y44 HydrophobicContact CG-CE1 3.47Å; K42-Y44 VanDerWaalsContact CG-CE1 3.47Å; K42-Y44 PolarHBondContact O-N 2.83Å; K42-V45 HydrophobicContact CB-CG2 4.13Å; K42-V45 PolarHBondContact O-N 3.49Å
43A98.5Very high98.4Very high0 Ų053.2 Ų53.20%028%0.283CS..Hα-helixtrans-58.6-35.5177.500000112.4F11 M16 K19 L24 V45 V46 L47F11-A43 HydrophobicContact CE2-CB 3.78Å; F11-A43 HydrophobicContact CZ-CB 3.87Å; M16-A43 HydrophobicContact SD-CB 4.07Å; K19-A43 HydrophobicContact CB-CB 4.45Å; K19-A43 PolarHBondContact O-N 3.14Å; L24-A43 HydrophobicContact CD1-CB 4.41Å; L24-A43 HydrophobicContact CD2-CB 4.25Å; L24-A43 HydrophobicContact CG-CB 4.11Å; A43-V45 VanDerWaalsContact C-N 3.28Å; A43-V45 PolarHBondContact O-N 2.9Å; A43-V46 PolarHBondContact O-N 3.46Å; A43-L47 PolarHBondContact O-N 3.23Å
44Y98.4Very high98.4Very high97 Ų9761 Ų6138%0.3831%0.311SS..Hα-helixtrans-68.3-24.8178.365.9-105.8000113.4G17 E18 K42 L47 G48G17-Y44 WeakPolarHBondContact O-CD1 3.28Å; E18-Y44 WeakPolarHBondContact OE1-CE1 3.33Å; E18-Y44 WeakPolarHBondContact OE2-CE1 3.26Å; K42-Y44 HydrophobicContact CB-CD1 3.54Å; K42-Y44 HydrophobicContact CB-CD2 4.44Å; K42-Y44 HydrophobicContact CB-CE1 3.26Å; K42-Y44 HydrophobicContact CB-CE2 4.19Å; K42-Y44 HydrophobicContact CB-CG 4.14Å; K42-Y44 HydrophobicContact CD-CE1 4.42Å; K42-Y44 HydrophobicContact CG-CD1 4.25Å; K42-Y44 HydrophobicContact CG-CE1 3.47Å; K42-Y44 VanDerWaalsContact CG-CE1 3.47Å; K42-Y44 PolarHBondContact O-N 2.83Å; Y44-L47 WeakPolarHBondContact O-CB 3.49Å; Y44-L47 PolarHBondContact O-N 2.84Å; Y44-G48 PolarHBondContact O-N 3.39Å
45V98.5Very high98.4Very high41 Ų4160.3 Ų60.325%0.24831%0.308CS..Hα-helixtrans-70.6-41.3176.5-171.90000109.4F40 K42 A43 G48 Q49F40-V45 HydrophobicContact CD1-CB 4.25Å; F40-V45 HydrophobicContact CD1-CG1 3.59Å; F40-V45 HydrophobicContact CE1-CG1 4.06Å; F40-V45 HydrophobicContact CG-CG1 4.31Å; K42-V45 HydrophobicContact CB-CG2 4.13Å; K42-V45 PolarHBondContact O-N 3.49Å; A43-V45 VanDerWaalsContact C-N 3.28Å; A43-V45 PolarHBondContact O-N 2.9Å; V45-G48 PolarHBondContact O-N 2.93Å; V45-Q49 PolarHBondContact O-N 3.37Å; V45-Q49 VanDerWaalsContact O-N 3.15Å
46V98.6Very high98.4Very high0 Ų063.6 Ų63.60%033%0.326CS..Hα-helixtrans-66-39.1172.3-1800000111.3V21 L24 F40 A43 G48 Q49 F50 F60 W63 L82V21-V46 HydrophobicContact CG2-CG2 3.55Å; L24-V46 HydrophobicContact CD1-CB 3.87Å; L24-V46 HydrophobicContact CD1-CG1 3.85Å; L24-V46 HydrophobicContact CD1-CG2 4.22Å; F40-V46 HydrophobicContact CB-CG2 3.95Å; F40-V46 HydrophobicContact CD1-CG2 4.06Å; F40-V46 HydrophobicContact CG-CG2 4.38Å; A43-V46 PolarHBondContact O-N 3.46Å; V46-G48 VanDerWaalsContact C-N 3.31Å; V46-G48 PolarHBondContact O-N 3.29Å; V46-Q49 PolarHBondContact O-N 2.82Å; V46-F50 PolarHBondContact O-N 3.01Å; V46-F60 HydrophobicContact CG1-CE2 4.07Å; V46-F60 HydrophobicContact CG1-CZ 3.97Å; V46-W63 HydrophobicContact CG1-CH2 4Å; V46-W63 HydrophobicContact CG1-CZ3 4Å; V46-W63 HydrophobicContact CG2-CH2 4.41Å; V46-L82 HydrophobicContact CG1-CD1 3.96Å
47L98.6Very high98.4Very high18 Ų1863.5 Ų63.59%0.09433%0.325CS..Hα-helixtrans-58.3-43.9171.2175.567.5000111.1M16 A43 Y44 Q49 F50 L51 L82 W85 C86M16-L47 HydrophobicContact CE-CB 4.2Å; M16-L47 HydrophobicContact CE-CD1 4.5Å; M16-L47 HydrophobicContact CE-CD2 3.62Å; M16-L47 HydrophobicContact CE-CG 4.3Å; M16-L47 HydrophobicContact SD-CB 4.24Å; M16-L47 HydrophobicContact SD-CD2 4.03Å; A43-L47 PolarHBondContact O-N 3.23Å; Y44-L47 WeakPolarHBondContact O-CB 3.49Å; Y44-L47 PolarHBondContact O-N 2.84Å; L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 3.36Å; L47-F50 HydrophobicContact CD1-CD1 4.03Å; L47-F50 WeakPolarHBondContact O-CB 3.28Å; L47-F50 PolarHBondContact O-N 3.42Å; L47-F50 VanDerWaalsContact O-N 3.13Å; L47-L51 HydrophobicContact CD1-CD1 4.3Å; L47-L51 HydrophobicContact CD1-CD2 4.48Å; L47-L51 HydrophobicContact CD1-CG 4.15Å; L47-L51 HydrophobicContact CG-CD1 4.05Å; L47-L51 HydrophobicContact CG-CG 4.3Å; L47-L51 VanDerWaalsContact O-CG 3.3Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 3.36Å; L47-L82 HydrophobicContact CB-CD2 4.21Å; L47-L82 HydrophobicContact CD1-CD2 4.2Å; L47-W85 HydrophobicContact CD2-CE3 4.23Å; L47-W85 HydrophobicContact CD2-CH2 4.21Å; L47-W85 HydrophobicContact CD2-CZ3 3.62Å; L47-C86 VanDerWaalsContact CD1-SG 3.57Å
48G98.4Very high98.4Very high33 Ų3362.3 Ų62.334%0.3432%0.32SS..Hα-helixtrans-54.7-47.1176.400000111.7Y44 V45 V46 L51 V52Y44-G48 PolarHBondContact O-N 3.39Å; V45-G48 PolarHBondContact O-N 2.93Å; V46-G48 VanDerWaalsContact C-N 3.31Å; V46-G48 PolarHBondContact O-N 3.29Å; G48-L51 PolarHBondContact O-N 3.06Å; G48-V52 WeakPolarHBondContact O-CG2 3.48Å; G48-V52 PolarHBondContact O-N 3.38Å
49Q98.7Very high98.4Very high47 Ų4761.3 Ų61.322%0.2232%0.319CS..Hα-helixtrans-63.5-42.6175.5-178.36314.200112.9F40 V45 V46 L47 L51 V52 L53 W63F40-Q49 HydrophobicContact CE1-CB 4.08Å; V45-Q49 PolarHBondContact O-N 3.37Å; V45-Q49 VanDerWaalsContact O-N 3.15Å; V46-Q49 PolarHBondContact O-N 2.82Å; L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 3.36Å; Q49-L51 PolarHBondContact O-N 3.05Å; Q49-V52 PolarHBondContact O-N 2.85Å; Q49-L53 HydrophobicContact CG-CD1 4.38Å; Q49-L53 WeakPolarHBondContact O-CG 3.47Å; Q49-L53 PolarHBondContact O-N 2.93Å; Q49-W63 HydrophobicContact CB-CH2 4.3Å; Q49-W63 HydrophobicContact CB-CZ2 4.23Å; Q49-W63 HydrophobicContact CG-CD2 3.66Å; Q49-W63 VanDerWaalsContact CG-CE2 3.46Å; Q49-W63 HydrophobicContact CG-CE3 4.02Å; Q49-W63 HydrophobicContact CG-CG 4.23Å; Q49-W63 HydrophobicContact CG-CH2 4.02Å; Q49-W63 HydrophobicContact CG-CZ2 3.68Å; Q49-W63 HydrophobicContact CG-CZ3 4.18Å
50F98.6Very high98.4Very high0 Ų059 Ų590%030%0.296CS..Hα-helixtrans-56.4-39.9173.7173.8-99.5000112.3V46 L47 L53 K54 K55 F60 Y79 L82 K83V46-F50 PolarHBondContact O-N 3.01Å; L47-F50 HydrophobicContact CD1-CD1 4.03Å; L47-F50 WeakPolarHBondContact O-CB 3.28Å; L47-F50 PolarHBondContact O-N 3.42Å; L47-F50 VanDerWaalsContact O-N 3.13Å; F50-L53 CarbonylContact O-C 3.59Å; F50-L53 PolarHBondContact O-N 2.81Å; F50-K54 PolarHBondContact O-N 3.15Å; F50-K55 HydrophobicContact CD1-CB 4.49Å; F50-K55 HydrophobicContact CD1-CG 4.09Å; F50-K55 HydrophobicContact CE1-CB 3.71Å; F50-K55 HydrophobicContact CE1-CD 3.89Å; F50-K55 HydrophobicContact CE1-CG 3.43Å; F50-K55 VanDerWaalsContact CE1-CG 3.43Å; F50-K55 HydrophobicContact CE2-CB 4.21Å; F50-K55 HydrophobicContact CZ-CB 3.54Å; F50-K55 HydrophobicContact CZ-CD 4.33Å; F50-K55 HydrophobicContact CZ-CG 3.84Å; F50-K55 PolarHBondContact O-N 3.22Å; F50-F60 HydrophobicContact CB-CD2 3.85Å; F50-F60 HydrophobicContact CB-CE2 3.74Å; F50-F60 HydrophobicContact CD2-CB 4.36Å; F50-F60 HydrophobicContact CD2-CD1 4.34Å; F50-F60 AromaticContact CD2-CD2 3.73Å; F50-F60 HydrophobicContact CD2-CD2 3.73Å; F50-F60 HydrophobicContact CD2-CE2 4.05Å; F50-F60 AromaticContact CD2-CG 3.87Å; F50-F60 HydrophobicContact CD2-CG 3.87Å; F50-F60 HydrophobicContact CD2-CZ 4.49Å; F50-F60 HydrophobicContact CG-CD2 4.3Å; F50-F60 HydrophobicContact CG-CE2 4.4Å; F50-Y79 HydrophobicContact CD2-CD2 4.33Å; F50-Y79 AromaticContact CE2-CD2 3.57Å; F50-Y79 HydrophobicContact CE2-CD2 3.57Å; F50-Y79 AromaticContact CE2-CE2 3.54Å; F50-Y79 HydrophobicContact CE2-CE2 3.54Å; F50-Y79 HydrophobicContact CZ-CE2 4.21Å; F50-L82 HydrophobicContact CB-CD1 4.09Å; F50-L82 HydrophobicContact CD1-CB 4.38Å; F50-L82 HydrophobicContact CD2-CB 4.35Å; F50-L82 HydrophobicContact CD2-CD1 4.31Å; F50-L82 HydrophobicContact CE1-CB 4.4Å; F50-L82 HydrophobicContact CE2-CB 4.38Å; F50-L82 HydrophobicContact CG-CB 4.35Å; F50-L82 HydrophobicContact CG-CD1 4.22Å; F50-L82 HydrophobicContact CZ-CB 4.41Å; F50-K83 HydrophobicContact CZ-CB 4.3Å
51L98.4Very high98.4Very high67 Ų6760.6 Ų60.635%0.35130%0.301SS..Hα-helixtrans-73.5-37.4177.5-64.7175.7000112.9L47 G48 Q49 L53 K54 K55 L90L47-L51 HydrophobicContact CD1-CD1 4.3Å; L47-L51 HydrophobicContact CD1-CD2 4.48Å; L47-L51 HydrophobicContact CD1-CG 4.15Å; L47-L51 HydrophobicContact CG-CD1 4.05Å; L47-L51 HydrophobicContact CG-CG 4.3Å; L47-L51 VanDerWaalsContact O-CG 3.3Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 3.36Å; G48-L51 PolarHBondContact O-N 3.06Å; Q49-L51 PolarHBondContact O-N 3.05Å; L51-L53 PolarHBondContact O-N 3.31Å; L51-K54 WeakPolarHBondContact O-CA 3.44Å; L51-K54 PolarHBondContact O-N 3.43Å; L51-K55 HydrophobicContact CD2-CG 4.22Å; L51-L90 HydrophobicContact CD1-CD2 4.17Å; L51-L90 HydrophobicContact CD2-CD2 3.79Å
52V98.6Very high98.5Very high105 Ų10560.8 Ų60.864%0.63630%0.302SS*.Hα-helixtrans-58.9-39.5172.4167.30000110.9G48 Q49 K54G48-V52 WeakPolarHBondContact O-CG2 3.48Å; G48-V52 PolarHBondContact O-N 3.38Å; Q49-V52 PolarHBondContact O-N 2.85Å; V52-K54 PolarHBondContact O-N 3.25Å
53L98.6Very high98.5Very high33 Ų3360 Ų6017%0.17330%0.297CS..THydrogen-bonded Turntrans-78.112.8174-60.6177000113.2Q49 F50 L51 K55 D56 L59 F60 W63Q49-L53 HydrophobicContact CG-CD1 4.38Å; Q49-L53 WeakPolarHBondContact O-CG 3.47Å; Q49-L53 PolarHBondContact O-N 2.93Å; F50-L53 CarbonylContact O-C 3.59Å; F50-L53 PolarHBondContact O-N 2.81Å; L51-L53 PolarHBondContact O-N 3.31Å; L53-K55 PolarHBondContact O-N 3.2Å; L53-D56 WeakPolarHBondContact O-CB 3.4Å; L53-D56 PolarHBondContact O-N 3.38Å; L53-L59 HydrophobicContact CB-CB 4.44Å; L53-L59 HydrophobicContact CD1-CB 4.37Å; L53-L59 HydrophobicContact CD2-CB 4.28Å; L53-F60 HydrophobicContact CD1-CB 4.25Å; L53-F60 HydrophobicContact CD1-CD2 4.4Å; L53-W63 HydrophobicContact CD1-CB 3.95Å; L53-W63 HydrophobicContact CD1-CG 4.28Å
54K98.3Very high98.5Very high187 Ų18760 Ų6081%0.81330%0.297SS*.THydrogen-bonded Turntrans55.732.9176.8-55-175.4-179.4179.60114F50 L51 V52 D56F50-K54 PolarHBondContact O-N 3.15Å; L51-K54 WeakPolarHBondContact O-CA 3.44Å; L51-K54 PolarHBondContact O-N 3.43Å; V52-K54 PolarHBondContact O-N 3.25Å; K54-D56 PolarHBondContact O-N 2.91Å
55K98.2Very high98.5Very high72 Ų7260.9 Ų60.931%0.31330%0.303SS..THydrogen-bonded Turntrans59.720.2-175.7-44.3-173.2176.4177.20113.3F50 L51 L53 E57 Y79F50-K55 HydrophobicContact CD1-CB 4.49Å; F50-K55 HydrophobicContact CD1-CG 4.09Å; F50-K55 HydrophobicContact CE1-CB 3.71Å; F50-K55 HydrophobicContact CE1-CD 3.89Å; F50-K55 HydrophobicContact CE1-CG 3.43Å; F50-K55 VanDerWaalsContact CE1-CG 3.43Å; F50-K55 HydrophobicContact CE2-CB 4.21Å; F50-K55 HydrophobicContact CZ-CB 3.54Å; F50-K55 HydrophobicContact CZ-CD 4.33Å; F50-K55 HydrophobicContact CZ-CG 3.84Å; F50-K55 PolarHBondContact O-N 3.22Å; L51-K55 HydrophobicContact CD2-CG 4.22Å; L53-K55 PolarHBondContact O-N 3.2Å; K55-E57 PolarHBondContact O-N 3.11Å; K55-Y79 PolarHBondContact O-OH 3.48Å
56D98.6Very high98.5Very high70 Ų7065 Ų6537%0.37432%0.324SS..  trans-69.7126.5178.5-173.6-79.4000110.7L53 K54 E58 L59 F60L53-D56 WeakPolarHBondContact O-CB 3.4Å; L53-D56 PolarHBondContact O-N 3.38Å; K54-D56 PolarHBondContact O-N 2.91Å; D56-E58 PolarHBondContact OD1-N 2.91Å; D56-L59 HydrophobicContact CB-CB 4.12Å; D56-L59 HydrophobicContact CB-CD1 4.01Å; D56-L59 HydrophobicContact CB-CG 4.22Å; D56-L59 WeakPolarHBondContact OD1-CG 3.45Å; D56-L59 PolarHBondContact OD1-N 3.49Å; D56-F60 WeakPolarHBondContact O-CB 3.19Å; D56-F60 PolarHBondContact O-N 2.92Å; D56-F60 VanDerWaalsContact O-N 3.12Å
57E98.3Very high98.5Very high74 Ų7465.8 Ų65.835%0.34633%0.328SS..Hα-helixtrans-67.8-45-174.5-173.3170.4159.100112.4K55 R61 Y79K55-E57 PolarHBondContact O-N 3.11Å; E57-R61 HydrophobicContact CG-CG 4.26Å; E57-R61 VanDerWaalsContact O-CB 3.3Å; E57-R61 WeakPolarHBondContact O-CB 3.4Å; E57-R61 WeakPolarHBondContact O-CD 3.46Å; E57-R61 WeakPolarHBondContact O-CG 3.42Å; E57-R61 PolarHBondContact O-N 3Å; E57-R61 IonicContact OE1-NH1 3.14Å; E57-R61 PolarHBondContact OE1-NH1 3.17Å; E57-R61 VanDerWaalsContact OE1-NH1 3.14Å; E57-Y79 HydrophobicContact CB-CD1 4.43Å; E57-Y79 HydrophobicContact CB-CD2 4.2Å; E57-Y79 HydrophobicContact CB-CE1 3.87Å; E57-Y79 HydrophobicContact CB-CE2 3.64Å; E57-Y79 VanDerWaalsContact CB-CZ 3.45Å; E57-Y79 HydrophobicContact CG-CD1 3.75Å; E57-Y79 HydrophobicContact CG-CD2 4.04Å; E57-Y79 HydrophobicContact CG-CE1 3.59Å; E57-Y79 HydrophobicContact CG-CE2 3.94Å; E57-Y79 HydrophobicContact CG-CG 3.97Å; E57-Y79 VanDerWaalsContact OE2-CE1 3.28Å; E57-Y79 WeakPolarHBondContact OE2-CE1 2.85Å
58E98.2Very high98.5Very high143 Ų14365 Ų6567%0.66833%0.325SS*.Hα-helixtrans-69.2-49.7-174.1-171.6170.9-174.500109.8D56 F60 R61 D62D56-E58 PolarHBondContact OD1-N 2.91Å; E58-F60 VanDerWaalsContact C-N 3.33Å; E58-F60 PolarHBondContact O-N 3.12Å; E58-R61 PolarHBondContact O-N 3.12Å; E58-D62 WeakPolarHBondContact O-CB 3.46Å; E58-D62 PolarHBondContact O-N 3Å
59L98.6Very high98.4Very high94 Ų9465.9 Ų65.949%0.49233%0.333SS..Hα-helixtrans-60.4-41.6178.7-65178.7000112.3L53 D56 W63L53-L59 HydrophobicContact CB-CB 4.44Å; L53-L59 HydrophobicContact CD1-CB 4.37Å; L53-L59 HydrophobicContact CD2-CB 4.28Å; D56-L59 HydrophobicContact CB-CB 4.12Å; D56-L59 HydrophobicContact CB-CD1 4.01Å; D56-L59 HydrophobicContact CB-CG 4.22Å; D56-L59 WeakPolarHBondContact OD1-CG 3.45Å; D56-L59 PolarHBondContact OD1-N 3.49Å; L59-W63 VanDerWaalsContact O-CB 3.25Å; L59-W63 WeakPolarHBondContact O-CB 3.44Å; L59-W63 PolarHBondContact O-N 2.94Å
60F98.8Very high98.4Very high0 Ų063.7 Ų63.70%032%0.324CS..Hα-helixtrans-67.8-41.6178.9179.8-97.6000112V46 F50 L53 D56 E58 W63 L64 C78 Y79 L82V46-F60 HydrophobicContact CG1-CE2 4.07Å; V46-F60 HydrophobicContact CG1-CZ 3.97Å; F50-F60 HydrophobicContact CB-CD2 3.85Å; F50-F60 HydrophobicContact CB-CE2 3.74Å; F50-F60 HydrophobicContact CD2-CB 4.36Å; F50-F60 HydrophobicContact CD2-CD1 4.34Å; F50-F60 AromaticContact CD2-CD2 3.73Å; F50-F60 HydrophobicContact CD2-CD2 3.73Å; F50-F60 HydrophobicContact CD2-CE2 4.05Å; F50-F60 AromaticContact CD2-CG 3.87Å; F50-F60 HydrophobicContact CD2-CG 3.87Å; F50-F60 HydrophobicContact CD2-CZ 4.49Å; F50-F60 HydrophobicContact CG-CD2 4.3Å; F50-F60 HydrophobicContact CG-CE2 4.4Å; L53-F60 HydrophobicContact CD1-CB 4.25Å; L53-F60 HydrophobicContact CD1-CD2 4.4Å; D56-F60 WeakPolarHBondContact O-CB 3.19Å; D56-F60 PolarHBondContact O-N 2.92Å; D56-F60 VanDerWaalsContact O-N 3.12Å; E58-F60 VanDerWaalsContact C-N 3.33Å; E58-F60 PolarHBondContact O-N 3.12Å; F60-W63 AromaticContact CD2-CE3 3.79Å; F60-W63 HydrophobicContact CD2-CE3 3.79Å; F60-W63 HydrophobicContact CD2-CZ3 4.07Å; F60-W63 AromaticContact CE2-CE3 3.65Å; F60-W63 HydrophobicContact CE2-CE3 3.65Å; F60-W63 AromaticContact CE2-CZ3 3.43Å; F60-W63 HydrophobicContact CE2-CZ3 3.43Å; F60-W63 VanDerWaalsContact CE2-CZ3 3.43Å; F60-W63 HydrophobicContact CZ-CE3 4.28Å; F60-W63 AromaticContact CZ-CZ3 3.88Å; F60-W63 HydrophobicContact CZ-CZ3 3.88Å; F60-W63 PolarHBondContact O-N 3.35Å; F60-L64 HydrophobicContact CE1-CD2 4.43Å; F60-L64 WeakPolarHBondContact O-CB 3.42Å; F60-L64 PolarHBondContact O-N 3.15Å; F60-C78 HydrophobicContact CE1-CB 4.48Å; F60-Y79 HydrophobicContact CB-CD2 4.4Å; F60-Y79 HydrophobicContact CD1-CD2 4.04Å; F60-Y79 HydrophobicContact CG-CD2 4.48Å; F60-L82 HydrophobicContact CE1-CD1 4.23Å; F60-L82 HydrophobicContact CE2-CD1 3.99Å; F60-L82 HydrophobicContact CZ-CD1 3.5Å
61R98.6Very high98.4Very high67 Ų6767.7 Ų67.725%0.25335%0.345SS..Hα-helixtrans-68.4-39.1-179.3-70.3176.458.8-168.4-13.4111.8E57 E58 L64 K65 Q75E57-R61 HydrophobicContact CG-CG 4.26Å; E57-R61 VanDerWaalsContact O-CB 3.3Å; E57-R61 WeakPolarHBondContact O-CB 3.4Å; E57-R61 WeakPolarHBondContact O-CD 3.46Å; E57-R61 WeakPolarHBondContact O-CG 3.42Å; E57-R61 PolarHBondContact O-N 3Å; E57-R61 IonicContact OE1-NH1 3.14Å; E57-R61 PolarHBondContact OE1-NH1 3.17Å; E57-R61 VanDerWaalsContact OE1-NH1 3.14Å; E58-R61 PolarHBondContact O-N 3.12Å; R61-L64 PolarHBondContact O-N 3.17Å; R61-K65 WeakPolarHBondContact O-CB 3.48Å; R61-K65 PolarHBondContact O-N 3.32Å; R61-Q75 HydrophobicContact CB-CB 4.08Å; R61-Q75 HydrophobicContact CB-CG 4.22Å; R61-Q75 HydrophobicContact CG-CB 3.88Å
62D98.6Very high98.4Very high75 Ų7567.5 Ų67.540%0.40135%0.353SS..Hα-helixtrans-65.3-46.7173.3-76.7-13.9000111.1E58 L64 K65 D66E58-D62 WeakPolarHBondContact O-CB 3.46Å; E58-D62 PolarHBondContact O-N 3Å; D62-L64 VanDerWaalsContact C-N 3.31Å; D62-L64 PolarHBondContact O-N 3.26Å; D62-K65 WeakPolarHBondContact O-CB 3.31Å; D62-K65 PolarHBondContact O-N 2.95Å; D62-K65 VanDerWaalsContact O-N 3.17Å; D62-D66 PolarHBondContact O-N 2.89Å
63W98.7Very high98.3Very high38 Ų3868.4 Ų68.414%0.14435%0.348CS..Hα-helixtrans-55.8-45.5173.9166.778000112.2L35 F40 V46 Q49 L53 L59 F60 K65 D66 T67L35-W63 HydrophobicContact CD2-CH2 4.22Å; F40-W63 HydrophobicContact CD1-CH2 4.29Å; F40-W63 HydrophobicContact CD1-CZ2 4.09Å; F40-W63 HydrophobicContact CD2-CZ2 4.43Å; F40-W63 HydrophobicContact CE1-CH2 4.22Å; F40-W63 AromaticContact CE1-CZ2 3.67Å; F40-W63 HydrophobicContact CE1-CZ2 3.67Å; F40-W63 HydrophobicContact CE2-CZ2 4.02Å; F40-W63 HydrophobicContact CG-CZ2 4.47Å; F40-W63 AromaticContact CZ-CZ2 3.63Å; F40-W63 HydrophobicContact CZ-CZ2 3.63Å; V46-W63 HydrophobicContact CG1-CH2 4Å; V46-W63 HydrophobicContact CG1-CZ3 4Å; V46-W63 HydrophobicContact CG2-CH2 4.41Å; Q49-W63 HydrophobicContact CB-CH2 4.3Å; Q49-W63 HydrophobicContact CB-CZ2 4.23Å; Q49-W63 HydrophobicContact CG-CD2 3.66Å; Q49-W63 VanDerWaalsContact CG-CE2 3.46Å; Q49-W63 HydrophobicContact CG-CE3 4.02Å; Q49-W63 HydrophobicContact CG-CG 4.23Å; Q49-W63 HydrophobicContact CG-CH2 4.02Å; Q49-W63 HydrophobicContact CG-CZ2 3.68Å; Q49-W63 HydrophobicContact CG-CZ3 4.18Å; L53-W63 HydrophobicContact CD1-CB 3.95Å; L53-W63 HydrophobicContact CD1-CG 4.28Å; L59-W63 VanDerWaalsContact O-CB 3.25Å; L59-W63 WeakPolarHBondContact O-CB 3.44Å; L59-W63 PolarHBondContact O-N 2.94Å; F60-W63 AromaticContact CD2-CE3 3.79Å; F60-W63 HydrophobicContact CD2-CE3 3.79Å; F60-W63 HydrophobicContact CD2-CZ3 4.07Å; F60-W63 AromaticContact CE2-CE3 3.65Å; F60-W63 HydrophobicContact CE2-CE3 3.65Å; F60-W63 AromaticContact CE2-CZ3 3.43Å; F60-W63 HydrophobicContact CE2-CZ3 3.43Å; F60-W63 VanDerWaalsContact CE2-CZ3 3.43Å; F60-W63 HydrophobicContact CZ-CE3 4.28Å; F60-W63 AromaticContact CZ-CZ3 3.88Å; F60-W63 HydrophobicContact CZ-CZ3 3.88Å; F60-W63 PolarHBondContact O-N 3.35Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 PolarHBondContact O-N 3.44Å; W63-D66 PolarHBondContact O-N 2.89Å; W63-T67 HydrophobicContact CZ2-CG2 4Å; W63-T67 PolarHBondContact NE1-OG1 3.12Å; W63-T67 WeakPolarHBondContact O-CB 3.3Å; W63-T67 PolarHBondContact O-N 3.48Å; W63-T67 PolarHBondContact O-OG1 3.14Å
64L98.6Very high98.3Very high0 Ų069.3 Ų69.30%035%0.352CS..Hα-helixtrans-66.4-37.2-179-167.673.6000111.5I27 L35 F60 R61 D62 C68 A70 Q75 C78I27-L64 HydrophobicContact CD1-CD1 4.12Å; I27-L64 HydrophobicContact CD1-CD2 4.11Å; L35-L64 HydrophobicContact CD1-CD1 4.44Å; L35-L64 HydrophobicContact CD2-CD1 4.49Å; F60-L64 HydrophobicContact CE1-CD2 4.43Å; F60-L64 WeakPolarHBondContact O-CB 3.42Å; F60-L64 PolarHBondContact O-N 3.15Å; R61-L64 PolarHBondContact O-N 3.17Å; D62-L64 VanDerWaalsContact C-N 3.31Å; D62-L64 PolarHBondContact O-N 3.26Å; L64-C68 PolarHBondContact O-N 2.9Å; L64-C68 PolarHBondContact O-SG 3.15Å; L64-A70 HydrophobicContact CD2-CB 3.76Å; L64-A70 HydrophobicContact CG-CB 3.77Å; L64-Q75 HydrophobicContact CD2-CG 4.36Å; L64-C78 HydrophobicContact CD2-CB 3.92Å
65K98.5Very high98.3Very high114 Ų11461.1 Ų61.150%0.49632%0.316SS..Hα-helixtrans-61.4-50.4173.4-171.4-176.6171.1-1700111.3R61 D62 W63 T67 G69R61-K65 WeakPolarHBondContact O-CB 3.48Å; R61-K65 PolarHBondContact O-N 3.32Å; D62-K65 WeakPolarHBondContact O-CB 3.31Å; D62-K65 PolarHBondContact O-N 2.95Å; D62-K65 VanDerWaalsContact O-N 3.17Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 PolarHBondContact O-N 3.44Å; K65-T67 VanDerWaalsContact C-N 3.27Å; K65-T67 PolarHBondContact O-N 3.02Å; K65-G69 WeakPolarHBondContact O-CA 3.22Å; K65-G69 PolarHBondContact O-N 3.5Å
66D98.4Very high98.3Very high128 Ų12863.5 Ų63.568%0.68432%0.323SS*.Hα-helixtrans-71.2-28.5-176.9-66.9-13.5000111.7D62 W63D62-D66 PolarHBondContact O-N 2.89Å; W63-D66 PolarHBondContact O-N 2.89Å
67T98.1Very high98.2Very high16 Ų1662.5 Ų62.510%0.09832%0.318CS..Hα-helixtrans-79.8-47.1-178-59.90000112.2L35 K38 F40 W63 K65L35-T67 HydrophobicContact CD2-CG2 3.72Å; K38-T67 HydrophobicContact CD-CG2 3.54Å; K38-T67 WeakPolarHBondContact CD-O 3.44Å; K38-T67 WeakPolarHBondContact CE-O 3.48Å; K38-T67 PolarHBondContact NZ-O 3.02Å; F40-T67 HydrophobicContact CD2-CG2 4.44Å; F40-T67 HydrophobicContact CE2-CG2 4.32Å; W63-T67 HydrophobicContact CZ2-CG2 4Å; W63-T67 PolarHBondContact NE1-OG1 3.12Å; W63-T67 WeakPolarHBondContact O-CB 3.3Å; W63-T67 PolarHBondContact O-N 3.48Å; W63-T67 PolarHBondContact O-OG1 3.14Å; K65-T67 VanDerWaalsContact C-N 3.27Å; K65-T67 PolarHBondContact O-N 3.02Å
68C98Very high98.3Very high3 Ų359 Ų592%0.0230%0.301CS..Hα-helixtrans-128.4-0.2-175.764.50000114.9L31 K34 L35 L64L31-C68 HydrophobicContact CB-CB 4.43Å; L31-C68 HydrophobicContact CD2-CB 4.16Å; L31-C68 WeakPolarHBondContact CD2-O 3.42Å; K34-C68 HydrophobicContact CB-CB 3.89Å; K34-C68 HydrophobicContact CD-CB 4.37Å; K34-C68 WeakPolarHBondContact CD-O 3.36Å; K34-C68 PolarHBondContact NZ-O 2.86Å; L35-C68 HydrophobicContact CD2-CB 4.26Å; L35-C68 HydrophobicContact CG-CB 3.92Å; L64-C68 PolarHBondContact O-N 2.9Å; L64-C68 PolarHBondContact O-SG 3.15Å
69G98.1Very high98.3Very high50 Ų5053 Ų5352%0.51527%0.273SS..  trans78.825.9-177.800000113.3K65 N71K65-G69 WeakPolarHBondContact O-CA 3.22Å; K65-G69 PolarHBondContact O-N 3.5Å; G69-N71 PolarHBondContact O-N 2.97Å
70A98.2Very high98.2Very high2 Ų249.8 Ų49.82%0.01726%0.262CS..  trans-61.1134.8179.200000111.5L31 L64 Q74 Q75L31-A70 HydrophobicContact CD1-CB 3.86Å; L64-A70 HydrophobicContact CD2-CB 3.76Å; L64-A70 HydrophobicContact CG-CB 3.77Å; A70-Q74 HydrophobicContact CB-CB 4.12Å; A70-Q75 HydrophobicContact CB-CG 3.99Å; A70-Q75 PolarHBondContact O-NE2 3.24Å
71N98.3Very high98.2Very high84 Ų8449.8 Ų49.845%0.44926%0.262SS..  trans-80.2170.5173.770.944.5000112G69 K73 Q74 Q75G69-N71 PolarHBondContact O-N 2.97Å; N71-K73 PolarHBondContact O-N 3.3Å; N71-K73 VanDerWaalsContact O-N 3.12Å; N71-K73 WeakPolarHBondContact OD1-CB 3.5Å; N71-K73 PolarHBondContact OD1-N 3.04Å; N71-Q74 PolarHBondContact ND2-OE1 2.9Å; N71-Q74 VanDerWaalsContact ND2-OE1 3.12Å; N71-Q74 PolarHBondContact O-N 3.48Å; N71-Q74 VanDerWaalsContact O-N 3.11Å; N71-Q74 WeakPolarHBondContact OD1-CG 3.45Å; N71-Q74 PolarHBondContact OD1-N 3.29Å; N71-Q75 WeakPolarHBondContact O-CB 3.49Å; N71-Q75 WeakPolarHBondContact O-CG 3.1Å; N71-Q75 PolarHBondContact O-N 3.48Å
72A97.9Very high98.2Very high62 Ų6246.6 Ų46.651%0.51225%0.25SC..Hα-helixtrans-55.7-33.5-175.800000114.6R76A72-R76 WeakPolarHBondContact O-CB 3.2Å; A72-R76 PolarHBondContact O-N 3.19Å
73K97Very high98.2Very high125 Ų12547.1 Ų47.154%0.54325%0.249SC..Hα-helixtrans-72.1-49.9176.6-178.8178.8174.1133.40110.9N71 Q75 R76 D77N71-K73 PolarHBondContact O-N 3.3Å; N71-K73 VanDerWaalsContact O-N 3.12Å; N71-K73 WeakPolarHBondContact OD1-CB 3.5Å; N71-K73 PolarHBondContact OD1-N 3.04Å; K73-Q75 VanDerWaalsContact C-N 3.28Å; K73-Q75 PolarHBondContact O-N 3.41Å; K73-R76 PolarHBondContact O-N 3.19Å; K73-D77 WeakPolarHBondContact O-CB 3.24Å; K73-D77 PolarHBondContact O-N 3.36Å
74Q98.2Very high98.2Very high52 Ų5249.6 Ų49.624%0.24326%0.262CS..Hα-helixtrans-59-41.9179.6-68.3168.2-43.500111.6G26 L31 A70 N71 D77 C78G26-Q74 WeakPolarHBondContact O-CB 3.06Å; G26-Q74 WeakPolarHBondContact O-CG 3.17Å; L31-Q74 HydrophobicContact CD1-CB 4.12Å; L31-Q74 VanDerWaalsContact CD1-CD 3.46Å; L31-Q74 HydrophobicContact CD1-CG 4.18Å; A70-Q74 HydrophobicContact CB-CB 4.12Å; N71-Q74 PolarHBondContact ND2-OE1 2.9Å; N71-Q74 VanDerWaalsContact ND2-OE1 3.12Å; N71-Q74 PolarHBondContact O-N 3.48Å; N71-Q74 VanDerWaalsContact O-N 3.11Å; N71-Q74 WeakPolarHBondContact OD1-CG 3.45Å; N71-Q74 PolarHBondContact OD1-N 3.29Å; Q74-D77 PolarHBondContact O-N 3.06Å; Q74-C78 VanDerWaalsContact O-CB 3.28Å; Q74-C78 WeakPolarHBondContact O-CB 3.26Å; Q74-C78 PolarHBondContact O-N 2.65Å
75Q98.4Very high98.2Very high14 Ų1450.7 Ų50.77%0.06527%0.266CS..Hα-helixtrans-56-54.4173.1-74.8169.514.500112.5R61 L64 A70 N71 K73 D77 C78 Y79R61-Q75 HydrophobicContact CB-CB 4.08Å; R61-Q75 HydrophobicContact CB-CG 4.22Å; R61-Q75 HydrophobicContact CG-CB 3.88Å; L64-Q75 HydrophobicContact CD2-CG 4.36Å; A70-Q75 HydrophobicContact CB-CG 3.99Å; A70-Q75 PolarHBondContact O-NE2 3.24Å; N71-Q75 WeakPolarHBondContact O-CB 3.49Å; N71-Q75 WeakPolarHBondContact O-CG 3.1Å; N71-Q75 PolarHBondContact O-N 3.48Å; K73-Q75 VanDerWaalsContact C-N 3.28Å; K73-Q75 PolarHBondContact O-N 3.41Å; Q75-D77 PolarHBondContact O-N 2.95Å; Q75-C78 PolarHBondContact O-N 3.29Å; Q75-Y79 WeakPolarHBondContact O-CB 3.49Å; Q75-Y79 PolarHBondContact O-N 3.28Å
76R98Very high98.1Very high123 Ų12345.3 Ų45.346%0.46424%0.242SC..Hα-helixtrans-63.4-42.2-179.2-175.7-174.563.5-162.5-3.1111.8A72 K73 G80A72-R76 WeakPolarHBondContact O-CB 3.2Å; A72-R76 PolarHBondContact O-N 3.19Å; K73-R76 PolarHBondContact O-N 3.19Å; R76-G80 PolarHBondContact O-N 3.36Å
77D98Very high98.1Very high49 Ų4944.7 Ų44.726%0.26224%0.239SC..Hα-helixtrans-66-41.7-179.2-66.3-5.2000110.7K73 Q74 Q75 C81K73-D77 WeakPolarHBondContact O-CB 3.24Å; K73-D77 PolarHBondContact O-N 3.36Å; Q74-D77 PolarHBondContact O-N 3.06Å; Q75-D77 PolarHBondContact O-N 2.95Å; D77-C81 VanDerWaalsContact O-CB 3.24Å; D77-C81 WeakPolarHBondContact O-CB 3.5Å; D77-C81 PolarHBondContact O-N 3.07Å
78C98.4Very high98Very high0 Ų046.9 Ų46.90%026%0.259CS..Hα-helixtrans-67.1-47.7176.6-174.30000112.2A25 I27 F60 L64 Q74 Q75 G80 C81 L82A25-C78 WeakPolarHBondContact O-CA 3.4Å; A25-C78 VanDerWaalsContact O-CB 3.26Å; A25-C78 WeakPolarHBondContact O-CB 3.41Å; A25-C78 PolarHBondContact O-N 3.35Å; I27-C78 HydrophobicContact CD1-CB 4.18Å; I27-C78 HydrophobicContact CG1-CB 4.42Å; F60-C78 HydrophobicContact CE1-CB 4.48Å; L64-C78 HydrophobicContact CD2-CB 3.92Å; Q74-C78 VanDerWaalsContact O-CB 3.28Å; Q74-C78 WeakPolarHBondContact O-CB 3.26Å; Q74-C78 PolarHBondContact O-N 2.65Å; Q75-C78 PolarHBondContact O-N 3.29Å; C78-G80 PolarHBondContact O-N 3.01Å; C78-C81 WeakPolarHBondContact O-CB 3.05Å; C78-C81 PolarHBondContact O-N 3.42Å; C78-L82 PolarHBondContact O-N 3.01Å
79Y98.6Very high98Very high18 Ų1850.8 Ų50.87%0.07128%0.275CS..Hα-helixtrans-58.1-49.6176.3172.1-96.4000111.7F50 K55 E57 F60 Q75 C81 L82 K83F50-Y79 HydrophobicContact CD2-CD2 4.33Å; F50-Y79 AromaticContact CE2-CD2 3.57Å; F50-Y79 HydrophobicContact CE2-CD2 3.57Å; F50-Y79 AromaticContact CE2-CE2 3.54Å; F50-Y79 HydrophobicContact CE2-CE2 3.54Å; F50-Y79 HydrophobicContact CZ-CE2 4.21Å; K55-Y79 PolarHBondContact O-OH 3.48Å; E57-Y79 HydrophobicContact CB-CD1 4.43Å; E57-Y79 HydrophobicContact CB-CD2 4.2Å; E57-Y79 HydrophobicContact CB-CE1 3.87Å; E57-Y79 HydrophobicContact CB-CE2 3.64Å; E57-Y79 VanDerWaalsContact CB-CZ 3.45Å; E57-Y79 HydrophobicContact CG-CD1 3.75Å; E57-Y79 HydrophobicContact CG-CD2 4.04Å; E57-Y79 HydrophobicContact CG-CE1 3.59Å; E57-Y79 HydrophobicContact CG-CE2 3.94Å; E57-Y79 HydrophobicContact CG-CG 3.97Å; E57-Y79 VanDerWaalsContact OE2-CE1 3.28Å; E57-Y79 WeakPolarHBondContact OE2-CE1 2.85Å; F60-Y79 HydrophobicContact CB-CD2 4.4Å; F60-Y79 HydrophobicContact CD1-CD2 4.04Å; F60-Y79 HydrophobicContact CG-CD2 4.48Å; Q75-Y79 WeakPolarHBondContact O-CB 3.49Å; Q75-Y79 PolarHBondContact O-N 3.28Å; Y79-C81 VanDerWaalsContact C-N 3.29Å; Y79-C81 PolarHBondContact O-N 3.17Å; Y79-L82 PolarHBondContact O-N 3.46Å; Y79-K83 HydrophobicContact CE1-CD 3.83Å; Y79-K83 VanDerWaalsContact O-CB 3.3Å; Y79-K83 WeakPolarHBondContact O-CB 3.26Å; Y79-K83 PolarHBondContact O-N 2.7Å
80G98.1Very high97.7Very high25 Ų2555.1 Ų55.126%0.25829%0.286SS..Hα-helixtrans-60.3-39.8179.500000112.3R76 C78 K83 E84R76-G80 PolarHBondContact O-N 3.36Å; C78-G80 PolarHBondContact O-N 3.01Å; G80-K83 PolarHBondContact O-N 3.47Å; G80-E84 WeakPolarHBondContact O-CB 3.43Å; G80-E84 PolarHBondContact O-N 3.19Å
81C98.1Very high97.7Very high0 Ų057.8 Ų57.80%030%0.3CS..Hα-helixtrans-63.1-46.9177.1-1760000112.5H8 F11 A25 D77 C78 Y79 W85H8-C81 VanDerWaalsContact CE1-CA 3.42Å; H8-C81 WeakPolarHBondContact CE1-CA 3.39Å; H8-C81 PolarHBondContact CE1-N 3.04Å; F11-C81 WeakPolarHBondContact CD1-SG 3.39Å; A25-C81 HydrophobicContact CB-CB 3.72Å; D77-C81 VanDerWaalsContact O-CB 3.24Å; D77-C81 WeakPolarHBondContact O-CB 3.5Å; D77-C81 PolarHBondContact O-N 3.07Å; C78-C81 WeakPolarHBondContact O-CB 3.05Å; C78-C81 PolarHBondContact O-N 3.42Å; Y79-C81 VanDerWaalsContact C-N 3.29Å; Y79-C81 PolarHBondContact O-N 3.17Å; C81-W85 VanDerWaalsContact O-CB 3.31Å; C81-W85 WeakPolarHBondContact O-CB 3.3Å; C81-W85 PolarHBondContact O-N 3.24Å
82L98.5Very high97.7Very high0 Ų056.4 Ų56.40%029%0.292CS..Hα-helixtrans-68.2-39.2177.3-72.6171.4000112.6M16 L24 V46 L47 F50 F60 C78 Y79 W85 C86M16-L82 HydrophobicContact CE-CD2 4.44Å; L24-L82 HydrophobicContact CD2-CD2 3.58Å; L24-L82 HydrophobicContact CD2-CG 4.02Å; V46-L82 HydrophobicContact CG1-CD1 3.96Å; L47-L82 HydrophobicContact CB-CD2 4.21Å; L47-L82 HydrophobicContact CD1-CD2 4.2Å; F50-L82 HydrophobicContact CB-CD1 4.09Å; F50-L82 HydrophobicContact CD1-CB 4.38Å; F50-L82 HydrophobicContact CD2-CB 4.35Å; F50-L82 HydrophobicContact CD2-CD1 4.31Å; F50-L82 HydrophobicContact CE1-CB 4.4Å; F50-L82 HydrophobicContact CE2-CB 4.38Å; F50-L82 HydrophobicContact CG-CB 4.35Å; F50-L82 HydrophobicContact CG-CD1 4.22Å; F50-L82 HydrophobicContact CZ-CB 4.41Å; F60-L82 HydrophobicContact CE1-CD1 4.23Å; F60-L82 HydrophobicContact CE2-CD1 3.99Å; F60-L82 HydrophobicContact CZ-CD1 3.5Å; C78-L82 PolarHBondContact O-N 3.01Å; Y79-L82 PolarHBondContact O-N 3.46Å; L82-W85 PolarHBondContact O-N 2.6Å; L82-C86 WeakPolarHBondContact O-CB 3.45Å; L82-C86 PolarHBondContact O-N 3.16Å; L82-C86 PolarHBondContact O-SG 3.04Å
83K98.4Very high97.7Very high87 Ų8756.1 Ų56.138%0.37828%0.279SS..Hα-helixtrans-61.8-52177.6-178.8172.5-178.21690111.3F50 Y79 G80 W85 C86 D87F50-K83 HydrophobicContact CZ-CB 4.3Å; Y79-K83 HydrophobicContact CE1-CD 3.83Å; Y79-K83 VanDerWaalsContact O-CB 3.3Å; Y79-K83 WeakPolarHBondContact O-CB 3.26Å; Y79-K83 PolarHBondContact O-N 2.7Å; G80-K83 PolarHBondContact O-N 3.47Å; K83-W85 VanDerWaalsContact C-N 3.32Å; K83-W85 PolarHBondContact O-N 3.4Å; K83-C86 WeakPolarHBondContact O-CB 3.43Å; K83-C86 PolarHBondContact O-N 3.32Å; K83-C86 VanDerWaalsContact O-N 3.15Å; K83-D87 VanDerWaalsContact O-CG 3.27Å; K83-D87 PolarHBondContact O-N 2.9Å
84E98.2Very high97.7Very high89 Ų8952 Ų5242%0.41626%0.264SS..Hα-helixtrans-64.8-37.3179.5-174.7174.9162.100111.8H8 V12 G80 D87 A88H8-E84 IonicContact CD2-OE2 3.79Å; H8-E84 IonicContact CE1-OE2 3.47Å; H8-E84 PolarHBondContact CE1-OE2 3.12Å; H8-E84 IonicContact NE2-OE1 3.98Å; H8-E84 IonicContact NE2-OE2 2.7Å; H8-E84 PolarHBondContact NE2-OE2 3.5Å; V12-E84 HydrophobicContact CB-CG 4.32Å; V12-E84 HydrophobicContact CG1-CB 4.09Å; V12-E84 HydrophobicContact CG1-CG 4.13Å; G80-E84 WeakPolarHBondContact O-CB 3.43Å; G80-E84 PolarHBondContact O-N 3.19Å; E84-D87 PolarHBondContact O-N 3.07Å; E84-A88 PolarHBondContact O-N 3.15Å
85W98.4Very high97.7Very high24 Ų2452 Ų529%0.09127%0.265CS..Hα-helixtrans-62.2-43.2172.5-173.393.8000111.9F11 V12 E14 M16 L47 C81 L82 K83 A88 F89F11-W85 HydrophobicContact CD1-CB 4.33Å; F11-W85 AromaticContact CD1-CD1 3.94Å; F11-W85 HydrophobicContact CD1-CG 4.31Å; F11-W85 HydrophobicContact CE1-CB 4.13Å; F11-W85 AromaticContact CE1-CD1 3.75Å; F11-W85 AromaticContact CE1-CG 3.9Å; F11-W85 HydrophobicContact CE1-CG 3.9Å; V12-W85 HydrophobicContact CG1-CB 4.29Å; E14-W85 PolarHBondContact O-NE1 2.68Å; M16-W85 HydrophobicContact CB-CZ2 4.22Å; M16-W85 HydrophobicContact CE-CD2 3.32Å; M16-W85 VanDerWaalsContact CE-CE2 3.47Å; M16-W85 HydrophobicContact CE-CE3 3.39Å; M16-W85 HydrophobicContact CE-CG 3.97Å; M16-W85 HydrophobicContact CE-CH2 3.79Å; M16-W85 HydrophobicContact CE-CZ2 3.72Å; M16-W85 HydrophobicContact CE-CZ3 3.63Å; M16-W85 HydrophobicContact CG-CH2 4.41Å; M16-W85 HydrophobicContact CG-CZ2 3.92Å; L47-W85 HydrophobicContact CD2-CE3 4.23Å; L47-W85 HydrophobicContact CD2-CH2 4.21Å; L47-W85 HydrophobicContact CD2-CZ3 3.62Å; C81-W85 VanDerWaalsContact O-CB 3.31Å; C81-W85 WeakPolarHBondContact O-CB 3.3Å; C81-W85 PolarHBondContact O-N 3.24Å; L82-W85 PolarHBondContact O-N 2.6Å; K83-W85 VanDerWaalsContact C-N 3.32Å; K83-W85 PolarHBondContact O-N 3.4Å; W85-A88 PolarHBondContact O-N 2.8Å; W85-F89 AromaticContact CD1-CD2 3.62Å; W85-F89 AromaticContact CD1-CE2 3.88Å; W85-F89 HydrophobicContact CD2-CB 4.37Å; W85-F89 AromaticContact CD2-CD2 3.98Å; W85-F89 HydrophobicContact CD2-CD2 3.98Å; W85-F89 AromaticContact CE2-CD2 3.61Å; W85-F89 AromaticContact CG-CD2 3.97Å; W85-F89 HydrophobicContact CG-CD2 3.97Å; W85-F89 HydrophobicContact CH2-CB 4.03Å; W85-F89 HydrophobicContact CZ2-CB 3.87Å; W85-F89 HydrophobicContact CZ2-CD2 4.19Å; W85-F89 HydrophobicContact CZ2-CG 4.26Å; W85-F89 HydrophobicContact CZ3-CB 4.35Å; W85-F89 AromaticContact NE1-CD2 3.35Å; W85-F89 AromaticContact NE1-CE2 3.75Å; W85-F89 WeakPolarHBondContact O-CD2 3.23Å; W85-F89 PolarHBondContact O-N 3.38Å
86C98Very high97.6Very high0 Ų054.5 Ų54.50%028%0.279CS..Hα-helixtrans-61.4-45.2175.7-71.30000111.4L47 L82 K83 A88 F89 L90L47-C86 VanDerWaalsContact CD1-SG 3.57Å; L82-C86 WeakPolarHBondContact O-CB 3.45Å; L82-C86 PolarHBondContact O-N 3.16Å; L82-C86 PolarHBondContact O-SG 3.04Å; K83-C86 WeakPolarHBondContact O-CB 3.43Å; K83-C86 PolarHBondContact O-N 3.32Å; K83-C86 VanDerWaalsContact O-N 3.15Å; C86-A88 PolarHBondContact O-N 3.47Å; C86-A88 VanDerWaalsContact O-N 3.17Å; C86-F89 PolarHBondContact O-N 3.5Å; C86-L90 HydrophobicContact CB-CB 4.41Å; C86-L90 PolarHBondContact O-N 3.12Å; C86-L90 VanDerWaalsContact O-OXT 3.1Å
87D97.4Very high97.6Very high115 Ų11549.6 Ų49.662%0.61527%0.265SS*.Hα-helixtrans-61.4-25.1-179.7-64.5-18.5000112.2K83 E84K83-D87 VanDerWaalsContact O-CG 3.27Å; K83-D87 PolarHBondContact O-N 2.9Å; E84-D87 PolarHBondContact O-N 3.07Å
88A96.8Very high97.6Very high62 Ų6249.7 Ų49.751%0.51227%0.266SS..Hα-helixtrans-90-32.9178.400000114.7E84 W85 C86E84-A88 PolarHBondContact O-N 3.15Å; W85-A88 PolarHBondContact O-N 2.8Å; C86-A88 PolarHBondContact O-N 3.47Å; C86-A88 VanDerWaalsContact O-N 3.17Å
89F96.2Very high97.5Very high85 Ų8553.8 Ų53.837%0.37329%0.288SS..Hα-helixtrans-128.8-3.3-166.3-61-69.5000115.9V12 P15 W85 C86V12-F89 VanDerWaalsContact O-CE2 3.3Å; V12-F89 WeakPolarHBondContact O-CE2 3.42Å; P15-F89 HydrophobicContact CG-CD1 4.1Å; P15-F89 HydrophobicContact CG-CE1 4.03Å; W85-F89 AromaticContact CD1-CD2 3.62Å; W85-F89 AromaticContact CD1-CE2 3.88Å; W85-F89 HydrophobicContact CD2-CB 4.37Å; W85-F89 AromaticContact CD2-CD2 3.98Å; W85-F89 HydrophobicContact CD2-CD2 3.98Å; W85-F89 AromaticContact CE2-CD2 3.61Å; W85-F89 AromaticContact CG-CD2 3.97Å; W85-F89 HydrophobicContact CG-CD2 3.97Å; W85-F89 HydrophobicContact CH2-CB 4.03Å; W85-F89 HydrophobicContact CZ2-CB 3.87Å; W85-F89 HydrophobicContact CZ2-CD2 4.19Å; W85-F89 HydrophobicContact CZ2-CG 4.26Å; W85-F89 HydrophobicContact CZ3-CB 4.35Å; W85-F89 AromaticContact NE1-CD2 3.35Å; W85-F89 AromaticContact NE1-CE2 3.75Å; W85-F89 WeakPolarHBondContact O-CD2 3.23Å; W85-F89 PolarHBondContact O-N 3.38Å; C86-F89 PolarHBondContact O-N 3.5Å
90L93.5Very high97.4Very high141 Ų14157.1 Ų57.174%0.73831%0.307SS*.  trans-130.40-177.2-177.270.7000112.7L51 C86L51-L90 HydrophobicContact CD1-CD2 4.17Å; L51-L90 HydrophobicContact CD2-CD2 3.79Å; C86-L90 HydrophobicContact CB-CB 4.41Å; C86-L90 PolarHBondContact O-N 3.12Å; C86-L90 VanDerWaalsContact O-OXT 3.1Å

Retrieved 90 of 90 residues in 59.2 ms (Link to these results)

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