A0A077ZQU4_TRITR Loading...

FF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZQU4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M72.2Confident87.4Confident123 Ų12385.4 Ų85.461%0.60639%0.389SS*.  0-70.50-84.7-66.5-135.600113.7D4 R5 N45M1-D4 WeakPolarHBondContact CA-OD2 3.46Å; M1-D4 PolarHBondContact N-OD2 3.09Å; M1-R5 WeakPolarHBondContact O-CG 3.4Å; M1-R5 PolarHBondContact O-N 3.03Å; M1-N45 PolarHBondContact SD-OD1 2.96Å
2E82.5Confident87.6Confident135 Ų13579.8 Ų79.863%0.63136%0.364SS*.Hα-helixtrans-69.8-37.7-178.3-74.6-171.186.600113R5 R6E2-R5 PolarHBondContact O-N 3.41Å; E2-R6 WeakPolarHBondContact O-CG 3.41Å; E2-R6 PolarHBondContact O-N 2.92Å
3E86.8Confident87.8Confident159 Ų15986.4 Ų86.474%0.74339%0.391SS*.Hα-helixtrans-62.2-46.6176.3-62.5-165.69500111.7R5 R6 L7E3-R5 VanDerWaalsContact C-N 3.3Å; E3-R5 PolarHBondContact O-N 3.14Å; E3-R6 WeakPolarHBondContact O-CA 3.49Å; E3-R6 WeakPolarHBondContact O-CB 3.31Å; E3-R6 PolarHBondContact O-N 2.64Å; E3-L7 WeakPolarHBondContact O-CB 3.35Å; E3-L7 PolarHBondContact O-N 3.32Å
4D88.3Confident88Confident41 Ų4188.5 Ų88.522%0.21941%0.408CS..Hα-helixtrans-58.1-44.3176.3-47.6-50.2000111.1M1 R6 L7 I8 I41M1-D4 WeakPolarHBondContact CA-OD2 3.46Å; M1-D4 PolarHBondContact N-OD2 3.09Å; D4-R6 VanDerWaalsContact C-N 3.31Å; D4-R6 PolarHBondContact O-N 3.25Å; D4-L7 PolarHBondContact O-N 3.27Å; D4-I8 WeakPolarHBondContact O-CB 3.44Å; D4-I8 VanDerWaalsContact O-CG1 3.24Å; D4-I8 WeakPolarHBondContact O-CG1 3.31Å; D4-I8 PolarHBondContact O-N 3Å; D4-I41 HydrophobicContact CB-CD1 4.2Å; D4-I41 HydrophobicContact CB-CG1 4.27Å; D4-I41 HydrophobicContact CB-CG2 3.91Å
5R88.7Confident88Confident82 Ų8289.4 Ų89.431%0.30941%0.406SS..Hα-helixtrans-65.5-31.6175.8-72.5-166-88.9-148.7-4.5113.2M1 E2 E3 K9 C49M1-R5 WeakPolarHBondContact O-CG 3.4Å; M1-R5 PolarHBondContact O-N 3.03Å; E2-R5 PolarHBondContact O-N 3.41Å; E3-R5 VanDerWaalsContact C-N 3.3Å; E3-R5 PolarHBondContact O-N 3.14Å; R5-K9 WeakPolarHBondContact O-CD 3.45Å; R5-K9 VanDerWaalsContact O-CG 3.25Å; R5-K9 WeakPolarHBondContact O-CG 3.3Å; R5-K9 PolarHBondContact O-N 3.27Å; R5-C49 HydrophobicContact CG-CB 4.02Å
6R90Very high87.9Confident177 Ų17787.3 Ų87.367%0.66842%0.417SS*.Hα-helixtrans-70.7-45.7173.5-74.1176.7-171.9-164.93.9110.4E2 E3 D4 K9 D10E2-R6 WeakPolarHBondContact O-CG 3.41Å; E2-R6 PolarHBondContact O-N 2.92Å; E3-R6 WeakPolarHBondContact O-CA 3.49Å; E3-R6 WeakPolarHBondContact O-CB 3.31Å; E3-R6 PolarHBondContact O-N 2.64Å; D4-R6 VanDerWaalsContact C-N 3.31Å; D4-R6 PolarHBondContact O-N 3.25Å; R6-K9 PolarHBondContact O-N 3.3Å; R6-D10 WeakPolarHBondContact O-CB 3.48Å; R6-D10 PolarHBondContact O-N 3.43Å
7L89.9Confident88Confident45 Ų4584.6 Ų84.624%0.23640%0.403CS..Hα-helixtrans-61.3-46.3179.6-178.158.9000111.8E3 D4 K9 D10 I11 K37 I41E3-L7 WeakPolarHBondContact O-CB 3.35Å; E3-L7 PolarHBondContact O-N 3.32Å; D4-L7 PolarHBondContact O-N 3.27Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 3.47Å; L7-D10 WeakPolarHBondContact O-CB 3.27Å; L7-D10 PolarHBondContact O-N 3.4Å; L7-D10 VanDerWaalsContact O-N 3.13Å; L7-I11 HydrophobicContact CD1-CD1 4.24Å; L7-I11 HydrophobicContact CD1-CG1 4.43Å; L7-I11 HydrophobicContact CG-CD1 4.03Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3.41Å; L7-K37 HydrophobicContact CD1-CB 3.81Å; L7-K37 HydrophobicContact CD1-CD 3.83Å; L7-K37 HydrophobicContact CD1-CG 4.48Å; L7-K37 HydrophobicContact CD2-CB 3.9Å; L7-K37 HydrophobicContact CG-CB 4.27Å; L7-I41 HydrophobicContact CD2-CD1 4.04Å; L7-I41 HydrophobicContact CD2-CG1 4.45Å; L7-I41 HydrophobicContact CG-CD1 4.4Å
8I90.4Very high87.9Confident0 Ų090.2 Ų90.20%043%0.425CS..Hα-helixtrans-55.9-48174.5-72.9168.8000111.1D4 D10 I11 M12 F28 L32 I41 I46 C49 L53D4-I8 WeakPolarHBondContact O-CB 3.44Å; D4-I8 VanDerWaalsContact O-CG1 3.24Å; D4-I8 WeakPolarHBondContact O-CG1 3.31Å; D4-I8 PolarHBondContact O-N 3Å; I8-D10 VanDerWaalsContact C-N 3.29Å; I8-D10 PolarHBondContact O-N 3.4Å; I8-I11 PolarHBondContact O-N 2.57Å; I8-M12 HydrophobicContact CG2-SD 4.35Å; I8-M12 VanDerWaalsContact O-CG 3.3Å; I8-M12 WeakPolarHBondContact O-CG 3.3Å; I8-M12 PolarHBondContact O-N 3.25Å; I8-F28 HydrophobicContact CG2-CE1 4.43Å; I8-F28 HydrophobicContact CG2-CE2 4.06Å; I8-F28 HydrophobicContact CG2-CZ 3.46Å; I8-F28 VanDerWaalsContact CG2-CZ 3.46Å; I8-L32 HydrophobicContact CB-CD2 4.49Å; I8-L32 HydrophobicContact CD1-CD1 4.46Å; I8-L32 HydrophobicContact CG1-CD1 4.14Å; I8-L32 HydrophobicContact CG1-CD2 4.24Å; I8-L32 HydrophobicContact CG2-CD1 4.39Å; I8-L32 HydrophobicContact CG2-CD2 4.29Å; I8-I41 HydrophobicContact CD1-CD1 4Å; I8-I41 HydrophobicContact CD1-CG2 4.43Å; I8-I41 HydrophobicContact CG1-CD1 3.62Å; I8-I46 HydrophobicContact CD1-CG1 4.4Å; I8-C49 HydrophobicContact CD1-CB 3.61Å; I8-L53 HydrophobicContact CG2-CD1 4.45Å
9K90.3Very high87.9Confident81 Ų8186.8 Ų86.835%0.35241%0.41SS..Hα-helixtrans-65.1-32.8178.5-73.1171.7-170163.30112.9R5 R6 L7 K13 L53R5-K9 WeakPolarHBondContact O-CD 3.45Å; R5-K9 VanDerWaalsContact O-CG 3.25Å; R5-K9 WeakPolarHBondContact O-CG 3.3Å; R5-K9 PolarHBondContact O-N 3.27Å; R6-K9 PolarHBondContact O-N 3.3Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 3.47Å; K9-K13 WeakPolarHBondContact O-CG 3.35Å; K9-K13 PolarHBondContact O-N 3.34Å; K9-K13 VanDerWaalsContact O-N 3.14Å; K9-L53 HydrophobicContact CG-CD2 4.47Å
10D91.4Very high87.9Confident92 Ų9285.1 Ų85.149%0.49241%0.408SS..Hα-helixtrans-69.1-46.1178.3-159.248000110.7R6 L7 I8 M12 K13 D14R6-D10 WeakPolarHBondContact O-CB 3.48Å; R6-D10 PolarHBondContact O-N 3.43Å; L7-D10 WeakPolarHBondContact O-CB 3.27Å; L7-D10 PolarHBondContact O-N 3.4Å; L7-D10 VanDerWaalsContact O-N 3.13Å; I8-D10 VanDerWaalsContact C-N 3.29Å; I8-D10 PolarHBondContact O-N 3.4Å; D10-M12 VanDerWaalsContact C-N 3.31Å; D10-M12 PolarHBondContact O-N 3.25Å; D10-K13 WeakPolarHBondContact O-CB 3.48Å; D10-K13 PolarHBondContact O-N 3.13Å; D10-K13 VanDerWaalsContact O-N 3.07Å; D10-D14 WeakPolarHBondContact O-CB 3.49Å; D10-D14 PolarHBondContact O-N 3.26Å
11I90.7Very high87.8Confident4 Ų484.3 Ų84.32%0.02141%0.411CS..Hα-helixtrans-58.8-43.5174.6-63.3163.3000110.9L7 I8 K13 D14 R15 L32 N35 S38L7-I11 HydrophobicContact CD1-CD1 4.24Å; L7-I11 HydrophobicContact CD1-CG1 4.43Å; L7-I11 HydrophobicContact CG-CD1 4.03Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3.41Å; I8-I11 PolarHBondContact O-N 2.57Å; I11-K13 VanDerWaalsContact C-N 3.31Å; I11-K13 PolarHBondContact O-N 2.97Å; I11-D14 PolarHBondContact O-N 3.12Å; I11-R15 HydrophobicContact CG2-CG 4.37Å; I11-R15 WeakPolarHBondContact O-CB 3.48Å; I11-R15 VanDerWaalsContact O-CG 3.3Å; I11-R15 WeakPolarHBondContact O-CG 3.24Å; I11-R15 PolarHBondContact O-N 3.04Å; I11-L32 HydrophobicContact CB-CD2 4.22Å; I11-L32 HydrophobicContact CD1-CD2 4.03Å; I11-L32 HydrophobicContact CG2-CD2 4.03Å; I11-N35 HydrophobicContact CD1-CB 4.07Å; I11-N35 HydrophobicContact CG1-CB 4.28Å; I11-N35 HydrophobicContact CG2-CB 3.95Å; I11-S38 VanDerWaalsContact CD1-OG 3.31Å; I11-S38 WeakPolarHBondContact CD1-OG 3.43Å
12M90.2Very high88.5Confident19 Ų1987.1 Ų87.19%0.09442%0.42CS..Hα-helixtrans-59.6-41.6175.6-71.3173.663.100112.5I8 D10 G16 F17 L19 F28 L31 L53I8-M12 HydrophobicContact CG2-SD 4.35Å; I8-M12 VanDerWaalsContact O-CG 3.3Å; I8-M12 WeakPolarHBondContact O-CG 3.3Å; I8-M12 PolarHBondContact O-N 3.25Å; D10-M12 VanDerWaalsContact C-N 3.31Å; D10-M12 PolarHBondContact O-N 3.25Å; M12-G16 CarbonylContact O-C 3.57Å; M12-G16 PolarHBondContact O-N 3.13Å; M12-G16 VanDerWaalsContact O-N 3.11Å; M12-F17 HydrophobicContact CE-CD1 4.39Å; M12-F17 PolarHBondContact O-N 2.93Å; M12-L19 HydrophobicContact CE-CD1 3.5Å; M12-L19 VanDerWaalsContact CE-CD1 3.5Å; M12-L19 HydrophobicContact CE-CD2 4.47Å; M12-L19 HydrophobicContact CE-CG 3.53Å; M12-L19 HydrophobicContact SD-CD1 4.24Å; M12-F28 HydrophobicContact CG-CE2 4.21Å; M12-F28 HydrophobicContact SD-CE2 3.77Å; M12-L31 HydrophobicContact CG-CD2 4.08Å; M12-L53 HydrophobicContact SD-CD1 3.76Å
13K90.4Very high88.9Confident165 Ų16581.3 Ų81.372%0.71739%0.394SS*.Hα-helixtrans-69.1-44.1179-75.6175.6179-1770111.8K9 D10 I11 R15 G16K9-K13 WeakPolarHBondContact O-CG 3.35Å; K9-K13 PolarHBondContact O-N 3.34Å; K9-K13 VanDerWaalsContact O-N 3.14Å; D10-K13 WeakPolarHBondContact O-CB 3.48Å; D10-K13 PolarHBondContact O-N 3.13Å; D10-K13 VanDerWaalsContact O-N 3.07Å; I11-K13 VanDerWaalsContact C-N 3.31Å; I11-K13 PolarHBondContact O-N 2.97Å; K13-R15 VanDerWaalsContact C-N 3.29Å; K13-R15 PolarHBondContact O-N 2.95Å; K13-G16 PolarHBondContact O-N 2.84Å
14D90.2Very high89.1Confident116 Ų11680.6 Ų80.662%0.6239%0.39SS*.Hα-helixtrans-58.1-42.9177.7-17775.1000111.4D10 I11 G16D10-D14 WeakPolarHBondContact O-CB 3.49Å; D10-D14 PolarHBondContact O-N 3.26Å; I11-D14 PolarHBondContact O-N 3.12Å; D14-G16 VanDerWaalsContact C-N 3.27Å; D14-G16 PolarHBondContact O-N 3.46Å
15R88.1Confident89.3Confident102 Ų10281 Ų8139%0.38539%0.391SS..THydrogen-bonded Turntrans-78.3-7.2175.9-64.9-95-174.6-91.86.2113.7I11 K13 F17 L31 D34I11-R15 HydrophobicContact CG2-CG 4.37Å; I11-R15 WeakPolarHBondContact O-CB 3.48Å; I11-R15 VanDerWaalsContact O-CG 3.3Å; I11-R15 WeakPolarHBondContact O-CG 3.24Å; I11-R15 PolarHBondContact O-N 3.04Å; K13-R15 VanDerWaalsContact C-N 3.29Å; K13-R15 PolarHBondContact O-N 2.95Å; R15-F17 HydrophobicContact CB-CB 4.44Å; R15-F17 PolarHBondContact O-N 3.41Å; R15-L31 HydrophobicContact CB-CD1 3.72Å; R15-L31 HydrophobicContact CG-CD1 3.75Å; R15-D34 IonicContact CZ-OD2 3.19Å; R15-D34 IonicContact NE-OD2 2.99Å; R15-D34 PolarHBondContact NE-OD2 2.94Å; R15-D34 PolarHBondContact NH2-O 2.82Å; R15-D34 IonicContact NH2-OD2 2.64Å; R15-D34 PolarHBondContact NH2-OD2 3.39Å
16G87.1Confident89.4Confident56 Ų5680.9 Ų80.958%0.57740%0.402SS*.THydrogen-bonded Turntrans64.618.9-173.500000114.2M12 K13 D14M12-G16 CarbonylContact O-C 3.57Å; M12-G16 PolarHBondContact O-N 3.13Å; M12-G16 VanDerWaalsContact O-N 3.11Å; K13-G16 PolarHBondContact O-N 2.84Å; D14-G16 VanDerWaalsContact C-N 3.27Å; D14-G16 PolarHBondContact O-N 3.46Å
17F88.3Confident89.4Confident41 Ų4177.2 Ų77.218%0.1839%0.392CS..  trans-76.1125-175.9-169.8-96.9000111.5M12 R15 L19 T23 E27 L31M12-F17 HydrophobicContact CE-CD1 4.39Å; M12-F17 PolarHBondContact O-N 2.93Å; R15-F17 HydrophobicContact CB-CB 4.44Å; R15-F17 PolarHBondContact O-N 3.41Å; F17-L19 HydrophobicContact CD1-CD2 4.39Å; F17-L19 HydrophobicContact CE1-CD2 3.69Å; F17-L19 HydrophobicContact CE1-CG 4.29Å; F17-T23 HydrophobicContact CE1-CG2 3.94Å; F17-T23 HydrophobicContact CZ-CG2 3.67Å; F17-E27 HydrophobicContact CE2-CG 4.12Å; F17-E27 WeakPolarHBondContact CE2-OE1 3.3Å; F17-E27 HydrophobicContact CZ-CG 4.06Å; F17-E27 WeakPolarHBondContact CZ-OE1 3.43Å; F17-L31 HydrophobicContact CB-CD1 4.03Å; F17-L31 HydrophobicContact CB-CD2 3.57Å; F17-L31 HydrophobicContact CB-CG 4.46Å; F17-L31 HydrophobicContact CD1-CD2 3.5Å; F17-L31 HydrophobicContact CD2-CD1 4.13Å; F17-L31 HydrophobicContact CD2-CD2 4.03Å; F17-L31 HydrophobicContact CE1-CD2 4.13Å; F17-L31 HydrophobicContact CG-CD1 4.17Å; F17-L31 HydrophobicContact CG-CD2 3.42Å; F17-L31 VanDerWaalsContact CG-CD2 3.42Å; F17-L31 HydrophobicContact CG-CG 4.39Å
18K86.5Confident89.5Confident186 Ų18675 Ų7581%0.80938%0.381SS*.  trans-112.6119.3179-70.8179.1-175.9168.90109.9S20K18-S20 PolarHBondContact O-N 2.89Å
19L87.8Confident89.5Confident26 Ų2677 Ų7714%0.13639%0.39CS..  trans-67.2131.4171.4-68.7169.2000110.2M12 F17 T23 F28 F50 L53 M54 V57M12-L19 HydrophobicContact CE-CD1 3.5Å; M12-L19 VanDerWaalsContact CE-CD1 3.5Å; M12-L19 HydrophobicContact CE-CD2 4.47Å; M12-L19 HydrophobicContact CE-CG 3.53Å; M12-L19 HydrophobicContact SD-CD1 4.24Å; F17-L19 HydrophobicContact CD1-CD2 4.39Å; F17-L19 HydrophobicContact CE1-CD2 3.69Å; F17-L19 HydrophobicContact CE1-CG 4.29Å; L19-T23 HydrophobicContact CD2-CG2 3.78Å; L19-F28 HydrophobicContact CD2-CD2 3.99Å; L19-F28 HydrophobicContact CD2-CE2 4.49Å; L19-F50 HydrophobicContact CD2-CD2 4.48Å; L19-F50 HydrophobicContact CD2-CE2 4.19Å; L19-L53 HydrophobicContact CD1-CB 3.39Å; L19-L53 HydrophobicContact CD1-CD1 3.72Å; L19-L53 HydrophobicContact CD1-CG 4.07Å; L19-M54 HydrophobicContact CB-CE 3.66Å; L19-M54 HydrophobicContact CD1-CE 4.08Å; L19-M54 HydrophobicContact CD2-CE 3.42Å; L19-M54 VanDerWaalsContact CD2-CE 3.42Å; L19-M54 HydrophobicContact CG-CE 3.89Å; L19-V57 HydrophobicContact CB-CG2 3.8Å
20S88Confident89.4Confident52 Ų5279.7 Ų79.736%0.36440%0.404SS..  trans-117.1164.6167.574.80000109.1K18 K22 T23 M54K18-S20 PolarHBondContact O-N 2.89Å; S20-K22 PolarHBondContact O-N 3.4Å; S20-K22 PolarHBondContact OG-N 3.27Å; S20-T23 PolarHBondContact N-OG1 3.23Å; S20-T23 WeakPolarHBondContact O-CB 3.42Å; S20-T23 PolarHBondContact O-N 2.95Å; S20-T23 PolarHBondContact O-OG1 3.4Å; S20-T23 PolarHBondContact OG-N 2.84Å; S20-T23 PolarHBondContact OG-OG1 3.35Å; S20-M54 WeakPolarHBondContact O-CE 3.31Å
21S85.2Confident89.3Confident68 Ų6876.4 Ų76.448%0.47639%0.386SS..THydrogen-bonded Turntrans-60.4-10.9173.349.10000113.8
22K87.4Confident89.2Confident183 Ų18376.4 Ų76.480%0.79639%0.386SS*.THydrogen-bonded Turntrans-97.9-8.2176.4-59.3-177180179.90113.4S20 E24S20-K22 PolarHBondContact O-N 3.4Å; S20-K22 PolarHBondContact OG-N 3.27Å; K22-E24 PolarHBondContact O-N 3.02Å
23T91.1Very high89Confident13 Ų1382.5 Ų82.58%0.0841%0.412CS..  trans-72128.9-177.4-58.40000109.9F17 L19 S20F17-T23 HydrophobicContact CE1-CG2 3.94Å; F17-T23 HydrophobicContact CZ-CG2 3.67Å; L19-T23 HydrophobicContact CD2-CG2 3.78Å; S20-T23 PolarHBondContact N-OG1 3.23Å; S20-T23 WeakPolarHBondContact O-CB 3.42Å; S20-T23 PolarHBondContact O-N 2.95Å; S20-T23 PolarHBondContact O-OG1 3.4Å; S20-T23 PolarHBondContact OG-N 2.84Å; S20-T23 PolarHBondContact OG-OG1 3.35Å
24E91.9Very high88.6Confident143 Ų14380 Ų8067%0.66841%0.407SS*.  trans-91.2157.6179.5-60.4-161.3116.800112.5K22 S26 E27 F28K22-E24 PolarHBondContact O-N 3.02Å; E24-S26 VanDerWaalsContact C-N 3.26Å; E24-S26 PolarHBondContact O-N 3.07Å; E24-E27 PolarHBondContact O-N 3Å; E24-F28 PolarHBondContact O-N 3.14Å
25F91.7Very high88.3Confident51 Ų5175.8 Ų75.822%0.22438%0.384CS..Hα-helixtrans-60.8-35.8178.3-177.9-115000112.5E27 F28 E29 I46 K47 F50F25-E27 PolarHBondContact O-N 2.88Å; F25-F28 HydrophobicContact CD2-CD1 4.33Å; F25-F28 HydrophobicContact CE2-CD1 4.34Å; F25-F28 WeakPolarHBondContact O-CB 3.43Å; F25-F28 PolarHBondContact O-N 3.37Å; F25-E29 HydrophobicContact CD1-CG 4.25Å; F25-E29 WeakPolarHBondContact CD1-OE2 3.14Å; F25-E29 HydrophobicContact CE1-CG 3.68Å; F25-E29 WeakPolarHBondContact CE1-OE2 3.47Å; F25-E29 HydrophobicContact CE2-CG 4.08Å; F25-E29 HydrophobicContact CZ-CG 3.58Å; F25-E29 PolarHBondContact O-N 2.99Å; F25-I46 HydrophobicContact CE2-CG2 3.93Å; F25-I46 HydrophobicContact CZ-CG2 4.12Å; F25-K47 HydrophobicContact CE2-CB 3.99Å; F25-K47 HydrophobicContact CE2-CG 4.3Å; F25-K47 HydrophobicContact CZ-CB 3.88Å; F25-K47 HydrophobicContact CZ-CG 4.3Å; F25-F50 HydrophobicContact CB-CD1 4.18Å; F25-F50 HydrophobicContact CB-CE1 3.91Å; F25-F50 HydrophobicContact CB-CZ 4.18Å; F25-F50 HydrophobicContact CD2-CB 3.82Å; F25-F50 AromaticContact CD2-CD1 3.66Å; F25-F50 HydrophobicContact CD2-CD1 3.66Å; F25-F50 HydrophobicContact CD2-CD2 4.21Å; F25-F50 HydrophobicContact CD2-CE1 4.25Å; F25-F50 AromaticContact CD2-CG 3.63Å; F25-F50 HydrophobicContact CD2-CG 3.63Å; F25-F50 HydrophobicContact CE2-CB 3.99Å; F25-F50 HydrophobicContact CE2-CG 4.31Å; F25-F50 HydrophobicContact CG-CD1 4.36Å
26S90.9Very high88Confident78 Ų7877 Ų7755%0.54540%0.403SS..Hα-helixtrans-62.9-43.2179.8-175.70000112.3E24 F28 E29 Q30E24-S26 VanDerWaalsContact C-N 3.26Å; E24-S26 PolarHBondContact O-N 3.07Å; S26-F28 VanDerWaalsContact C-N 3.32Å; S26-F28 PolarHBondContact O-N 3.02Å; S26-E29 PolarHBondContact O-N 3.16Å; S26-Q30 WeakPolarHBondContact O-CB 2.95Å; S26-Q30 PolarHBondContact O-N 2.83Å
27E90.4Very high87.9Confident100 Ų10080.2 Ų80.247%0.46740%0.401SS..Hα-helixtrans-63-41.7176-171.2-179.6124.600110.9F17 E24 F25 Q30 L31F17-E27 HydrophobicContact CE2-CG 4.12Å; F17-E27 WeakPolarHBondContact CE2-OE1 3.3Å; F17-E27 HydrophobicContact CZ-CG 4.06Å; F17-E27 WeakPolarHBondContact CZ-OE1 3.43Å; E24-E27 PolarHBondContact O-N 3Å; F25-E27 PolarHBondContact O-N 2.88Å; E27-Q30 PolarHBondContact O-N 3.11Å; E27-L31 PolarHBondContact O-N 3.44Å
28F91.2Very high87.8Confident0 Ų078.4 Ų78.40%039%0.393CS..Hα-helixtrans-65.9-43176.6179.9-104.6000113.3I8 M12 L19 E24 F25 S26 L31 L32 I46 F50 L53I8-F28 HydrophobicContact CG2-CE1 4.43Å; I8-F28 HydrophobicContact CG2-CE2 4.06Å; I8-F28 HydrophobicContact CG2-CZ 3.46Å; I8-F28 VanDerWaalsContact CG2-CZ 3.46Å; M12-F28 HydrophobicContact CG-CE2 4.21Å; M12-F28 HydrophobicContact SD-CE2 3.77Å; L19-F28 HydrophobicContact CD2-CD2 3.99Å; L19-F28 HydrophobicContact CD2-CE2 4.49Å; E24-F28 PolarHBondContact O-N 3.14Å; F25-F28 HydrophobicContact CD2-CD1 4.33Å; F25-F28 HydrophobicContact CE2-CD1 4.34Å; F25-F28 WeakPolarHBondContact O-CB 3.43Å; F25-F28 PolarHBondContact O-N 3.37Å; S26-F28 VanDerWaalsContact C-N 3.32Å; S26-F28 PolarHBondContact O-N 3.02Å; F28-L31 WeakPolarHBondContact O-CB 3.45Å; F28-L31 PolarHBondContact O-N 3.4Å; F28-L32 HydrophobicContact CD1-CD1 4.09Å; F28-L32 HydrophobicContact CE1-CD1 3.63Å; F28-L32 HydrophobicContact CZ-CD1 3.92Å; F28-L32 WeakPolarHBondContact O-CG 3.14Å; F28-L32 PolarHBondContact O-N 3.23Å; F28-I46 HydrophobicContact CD1-CG2 4.13Å; F28-I46 HydrophobicContact CE1-CG2 3.84Å; F28-F50 HydrophobicContact CB-CD2 3.69Å; F28-F50 HydrophobicContact CB-CE2 3.81Å; F28-F50 HydrophobicContact CD1-CB 3.8Å; F28-F50 AromaticContact CD1-CD2 3.54Å; F28-F50 HydrophobicContact CD1-CD2 3.54Å; F28-F50 HydrophobicContact CD1-CE2 4.5Å; F28-F50 HydrophobicContact CD1-CG 4.03Å; F28-F50 HydrophobicContact CD2-CD2 4.05Å; F28-F50 HydrophobicContact CE1-CB 3.67Å; F28-F50 HydrophobicContact CE1-CD2 4.07Å; F28-F50 HydrophobicContact CE1-CG 4.34Å; F28-F50 AromaticContact CG-CD2 3.49Å; F28-F50 HydrophobicContact CG-CD2 3.49Å; F28-F50 VanDerWaalsContact CG-CD2 3.49Å; F28-F50 HydrophobicContact CG-CE2 4.1Å; F28-F50 HydrophobicContact CG-CG 4.41Å; F28-F50 HydrophobicContact CZ-CB 4.37Å; F28-F50 HydrophobicContact CZ-CD2 4.5Å; F28-L53 HydrophobicContact CE2-CD1 4.26Å; F28-L53 HydrophobicContact CZ-CD1 4.18Å
29E90.4Very high87.7Confident40 Ų4073.5 Ų73.519%0.18739%0.387CS..Hα-helixtrans-62.2-43.2174-95.7-1638300111.6F25 S26 L31 L32 K33 I46F25-E29 HydrophobicContact CD1-CG 4.25Å; F25-E29 WeakPolarHBondContact CD1-OE2 3.14Å; F25-E29 HydrophobicContact CE1-CG 3.68Å; F25-E29 WeakPolarHBondContact CE1-OE2 3.47Å; F25-E29 HydrophobicContact CE2-CG 4.08Å; F25-E29 HydrophobicContact CZ-CG 3.58Å; F25-E29 PolarHBondContact O-N 2.99Å; S26-E29 PolarHBondContact O-N 3.16Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.22Å; E29-L32 PolarHBondContact O-N 3.48Å; E29-L32 VanDerWaalsContact O-N 3.13Å; E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 3.38Å; E29-K33 VanDerWaalsContact OE1-CE 3.3Å; E29-K33 WeakPolarHBondContact OE1-CE 3.42Å; E29-K33 IonicContact OE1-NZ 3.3Å; E29-K33 PolarHBondContact OE1-NZ 3.33Å; E29-I46 HydrophobicContact CG-CG2 4.19Å
30Q89Confident87.6Confident139 Ų13981.4 Ų81.465%0.6542%0.42SS*.Hα-helixtrans-63.3-40.1-180-174173.9-28.700111.5S26 E27 L32 K33 D34S26-Q30 WeakPolarHBondContact O-CB 2.95Å; S26-Q30 PolarHBondContact O-N 2.83Å; E27-Q30 PolarHBondContact O-N 3.11Å; Q30-L32 VanDerWaalsContact C-N 3.25Å; Q30-L32 PolarHBondContact O-N 3.25Å; Q30-K33 PolarHBondContact O-N 2.81Å; Q30-D34 PolarHBondContact O-N 3.49Å
31L88.2Confident87.6Confident23 Ų2379.5 Ų79.512%0.1241%0.406CS..Hα-helixtrans-56-40.8172.517975.9000112.1M12 R15 F17 E27 F28 E29M12-L31 HydrophobicContact CG-CD2 4.08Å; R15-L31 HydrophobicContact CB-CD1 3.72Å; R15-L31 HydrophobicContact CG-CD1 3.75Å; F17-L31 HydrophobicContact CB-CD1 4.03Å; F17-L31 HydrophobicContact CB-CD2 3.57Å; F17-L31 HydrophobicContact CB-CG 4.46Å; F17-L31 HydrophobicContact CD1-CD2 3.5Å; F17-L31 HydrophobicContact CD2-CD1 4.13Å; F17-L31 HydrophobicContact CD2-CD2 4.03Å; F17-L31 HydrophobicContact CE1-CD2 4.13Å; F17-L31 HydrophobicContact CG-CD1 4.17Å; F17-L31 HydrophobicContact CG-CD2 3.42Å; F17-L31 VanDerWaalsContact CG-CD2 3.42Å; F17-L31 HydrophobicContact CG-CG 4.39Å; E27-L31 PolarHBondContact O-N 3.44Å; F28-L31 WeakPolarHBondContact O-CB 3.45Å; F28-L31 PolarHBondContact O-N 3.4Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.22Å
32L89.8Confident87.8Confident3 Ų379.6 Ų79.62%0.01640%0.401CS..Hα-helixtrans-78-34179.5-65.9177.2000112.4I8 I11 F28 E29 Q30 D34 N35 S38 I46I8-L32 HydrophobicContact CB-CD2 4.49Å; I8-L32 HydrophobicContact CD1-CD1 4.46Å; I8-L32 HydrophobicContact CG1-CD1 4.14Å; I8-L32 HydrophobicContact CG1-CD2 4.24Å; I8-L32 HydrophobicContact CG2-CD1 4.39Å; I8-L32 HydrophobicContact CG2-CD2 4.29Å; I11-L32 HydrophobicContact CB-CD2 4.22Å; I11-L32 HydrophobicContact CD1-CD2 4.03Å; I11-L32 HydrophobicContact CG2-CD2 4.03Å; F28-L32 HydrophobicContact CD1-CD1 4.09Å; F28-L32 HydrophobicContact CE1-CD1 3.63Å; F28-L32 HydrophobicContact CZ-CD1 3.92Å; F28-L32 WeakPolarHBondContact O-CG 3.14Å; F28-L32 PolarHBondContact O-N 3.23Å; E29-L32 PolarHBondContact O-N 3.48Å; E29-L32 VanDerWaalsContact O-N 3.13Å; Q30-L32 VanDerWaalsContact C-N 3.25Å; Q30-L32 PolarHBondContact O-N 3.25Å; L32-D34 PolarHBondContact O-N 3.35Å; L32-N35 PolarHBondContact O-N 2.7Å; L32-S38 PolarHBondContact O-OG 2.8Å; L32-I46 HydrophobicContact CD1-CB 4.48Å; L32-I46 HydrophobicContact CD1-CD1 4.33Å; L32-I46 HydrophobicContact CD1-CG1 4.13Å; L32-I46 HydrophobicContact CD1-CG2 3.63Å
33K85.6Confident87.8Confident147 Ų14774.3 Ų74.364%0.63939%0.388SS*.Hα-helixtrans-62.4-29.7177.8-76.9169.3-174.9163.30112.6E29 Q30 N35E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 3.38Å; E29-K33 VanDerWaalsContact OE1-CE 3.3Å; E29-K33 WeakPolarHBondContact OE1-CE 3.42Å; E29-K33 IonicContact OE1-NZ 3.3Å; E29-K33 PolarHBondContact OE1-NZ 3.33Å; Q30-K33 PolarHBondContact O-N 2.81Å; K33-N35 PolarHBondContact O-N 3.33Å
34D82.7Confident87.8Confident113 Ų11381.1 Ų81.160%0.60442%0.419SS*.THydrogen-bonded Turntrans-72.2-7.7176.5-168.555.8000113.5R15 Q30 L32R15-D34 IonicContact CZ-OD2 3.19Å; R15-D34 IonicContact NE-OD2 2.99Å; R15-D34 PolarHBondContact NE-OD2 2.94Å; R15-D34 PolarHBondContact NH2-O 2.82Å; R15-D34 IonicContact NH2-OD2 2.64Å; R15-D34 PolarHBondContact NH2-OD2 3.39Å; Q30-D34 PolarHBondContact O-N 3.49Å; L32-D34 PolarHBondContact O-N 3.35Å
35N83.4Confident87.7Confident28 Ų2875.7 Ų75.715%0.1539%0.394CS..  trans-113.9120177.7-164.4-56.7000111.7I11 L32 K33 K37 S38I11-N35 HydrophobicContact CD1-CB 4.07Å; I11-N35 HydrophobicContact CG1-CB 4.28Å; I11-N35 HydrophobicContact CG2-CB 3.95Å; L32-N35 PolarHBondContact O-N 2.7Å; K33-N35 PolarHBondContact O-N 3.33Å; N35-K37 PolarHBondContact O-N 3.28Å; N35-K37 VanDerWaalsContact O-N 3.09Å; N35-K37 VanDerWaalsContact OD1-CB 3.31Å; N35-K37 WeakPolarHBondContact OD1-CB 3.25Å; N35-K37 WeakPolarHBondContact OD1-CG 3.42Å; N35-K37 PolarHBondContact OD1-N 3.31Å; N35-S38 PolarHBondContact O-N 3.23Å; N35-S38 VanDerWaalsContact O-N 3.14Å; N35-S38 PolarHBondContact O-OG 2.65Å
36V82.7Confident87.6Confident127 Ų12774 Ų7477%0.7739%0.387SS*.THydrogen-bonded Turntrans-55.2-31.1179.2165.20000112.6A39V36-A39 WeakPolarHBondContact O-CB 3.44Å; V36-A39 PolarHBondContact O-N 3.15Å
37K83.8Confident87.7Confident124 Ų12475.7 Ų75.754%0.53938%0.384SS..THydrogen-bonded Turntrans-69.2-38.1-178.1-58.6-178.1-179.3175.30111.9L7 N35 A39L7-K37 HydrophobicContact CD1-CB 3.81Å; L7-K37 HydrophobicContact CD1-CD 3.83Å; L7-K37 HydrophobicContact CD1-CG 4.48Å; L7-K37 HydrophobicContact CD2-CB 3.9Å; L7-K37 HydrophobicContact CG-CB 4.27Å; N35-K37 PolarHBondContact O-N 3.28Å; N35-K37 VanDerWaalsContact O-N 3.09Å; N35-K37 VanDerWaalsContact OD1-CB 3.31Å; N35-K37 WeakPolarHBondContact OD1-CB 3.25Å; N35-K37 WeakPolarHBondContact OD1-CG 3.42Å; N35-K37 PolarHBondContact OD1-N 3.31Å; K37-A39 VanDerWaalsContact C-N 3.3Å; K37-A39 PolarHBondContact O-N 2.89Å
38S85.5Confident87.8Confident2 Ų272.8 Ų72.81%0.01438%0.378CS..G310 helixtrans-75.6-15.4178.725.60000113.7I11 L32 N35 K40 I41I11-S38 VanDerWaalsContact CD1-OG 3.31Å; I11-S38 WeakPolarHBondContact CD1-OG 3.43Å; L32-S38 PolarHBondContact O-OG 2.8Å; N35-S38 PolarHBondContact O-N 3.23Å; N35-S38 VanDerWaalsContact O-N 3.14Å; N35-S38 PolarHBondContact O-OG 2.65Å; S38-K40 PolarHBondContact O-N 3.42Å; S38-K40 VanDerWaalsContact O-N 3.12Å; S38-I41 WeakPolarHBondContact O-CB 3.33Å; S38-I41 PolarHBondContact O-N 2.74Å
39A85.3Confident87.8Confident83 Ų8372.9 Ų72.969%0.68638%0.378SS*.G310 helixtrans-61.9-18.5176.400000113.7V36 K37V36-A39 WeakPolarHBondContact O-CB 3.44Å; V36-A39 PolarHBondContact O-N 3.15Å; K37-A39 VanDerWaalsContact C-N 3.3Å; K37-A39 PolarHBondContact O-N 2.89Å
40K86.2Confident87.9Confident192 Ų19271.8 Ų71.884%0.83537%0.373SS*.G310 helixtrans-85.1-10.8175-62.8-176.6179.8-177.60113.6S38S38-K40 PolarHBondContact O-N 3.42Å; S38-K40 VanDerWaalsContact O-N 3.12Å
41I87.3Confident88.1Confident12 Ų1268.9 Ų68.96%0.06236%0.362CS..SBendtrans-86.9129.7-179.3-50174.8000107.7D4 L7 I8 S38 N45 I46D4-I41 HydrophobicContact CB-CD1 4.2Å; D4-I41 HydrophobicContact CB-CG1 4.27Å; D4-I41 HydrophobicContact CB-CG2 3.91Å; L7-I41 HydrophobicContact CD2-CD1 4.04Å; L7-I41 HydrophobicContact CD2-CG1 4.45Å; L7-I41 HydrophobicContact CG-CD1 4.4Å; I8-I41 HydrophobicContact CD1-CD1 4Å; I8-I41 HydrophobicContact CD1-CG2 4.43Å; I8-I41 HydrophobicContact CG1-CD1 3.62Å; S38-I41 WeakPolarHBondContact O-CB 3.33Å; S38-I41 PolarHBondContact O-N 2.74Å; I41-N45 HydrophobicContact CG2-CB 3.74Å; I41-I46 HydrophobicContact CB-CD1 4.35Å; I41-I46 HydrophobicContact CB-CG1 4.09Å; I41-I46 HydrophobicContact CG2-CG1 3.76Å
42D89.7Confident88.3Confident70 Ų7069.6 Ų69.637%0.37437%0.369SS..  trans-66.2149.9174.959.5-74.2000111.8E44 N45 I46D42-E44 PolarHBondContact O-N 3.3Å; D42-E44 WeakPolarHBondContact OD2-CB 3.32Å; D42-E44 PolarHBondContact OD2-N 3.1Å; D42-N45 PolarHBondContact O-N 3.43Å; D42-N45 VanDerWaalsContact O-N 3.16Å; D42-N45 VanDerWaalsContact OD1-CB 3.31Å; D42-N45 WeakPolarHBondContact OD1-CB 3.21Å; D42-N45 PolarHBondContact OD1-ND2 3.23Å; D42-N45 VanDerWaalsContact OD2-CB 3.32Å; D42-N45 WeakPolarHBondContact OD2-CB 3.39Å; D42-N45 VanDerWaalsContact OD2-CG 3.28Å; D42-N45 PolarHBondContact OD2-N 3.04Å; D42-I46 WeakPolarHBondContact O-CG1 3.47Å; D42-I46 PolarHBondContact O-N 2.86Å
43S88.2Confident88.4Confident73 Ų7370.4 Ų70.451%0.5137%0.373SS..Hα-helixtrans-59.3-31.5-179-176.40000112.4I46 K47S43-I46 PolarHBondContact O-N 3.46Å; S43-K47 VanDerWaalsContact O-CB 3.31Å; S43-K47 WeakPolarHBondContact O-CB 3.42Å; S43-K47 PolarHBondContact O-N 3.33Å
44E89.6Confident88.7Confident156 Ų15664.3 Ų64.373%0.72935%0.347SS*.Hα-helixtrans-66-45.2177.1-175.2-179.8-178.500111.4D42 K47 A48D42-E44 PolarHBondContact O-N 3.3Å; D42-E44 WeakPolarHBondContact OD2-CB 3.32Å; D42-E44 PolarHBondContact OD2-N 3.1Å; E44-K47 PolarHBondContact O-N 2.89Å; E44-A48 WeakPolarHBondContact O-CB 3.32Å; E44-A48 PolarHBondContact O-N 3.37Å
45N90Very high89.1Confident28 Ų2863 Ų6315%0.1534%0.344CS..Hα-helixtrans-67.3-36.5174.8-80-20.9000112.5M1 I41 D42 C49M1-N45 PolarHBondContact SD-OD1 2.96Å; I41-N45 HydrophobicContact CG2-CB 3.74Å; D42-N45 PolarHBondContact O-N 3.43Å; D42-N45 VanDerWaalsContact O-N 3.16Å; D42-N45 VanDerWaalsContact OD1-CB 3.31Å; D42-N45 WeakPolarHBondContact OD1-CB 3.21Å; D42-N45 PolarHBondContact OD1-ND2 3.23Å; D42-N45 VanDerWaalsContact OD2-CB 3.32Å; D42-N45 WeakPolarHBondContact OD2-CB 3.39Å; D42-N45 VanDerWaalsContact OD2-CG 3.28Å; D42-N45 PolarHBondContact OD2-N 3.04Å; N45-C49 WeakPolarHBondContact O-CB 3.31Å; N45-C49 PolarHBondContact O-N 3.43Å
46I90.8Very high89.5Confident15 Ų1567.5 Ų67.58%0.07736%0.362CS..Hα-helixtrans-60.6-48.4172.3-67.8172.9000109.8I8 F25 F28 E29 L32 I41 D42 S43 C49 F50I8-I46 HydrophobicContact CD1-CG1 4.4Å; F25-I46 HydrophobicContact CE2-CG2 3.93Å; F25-I46 HydrophobicContact CZ-CG2 4.12Å; F28-I46 HydrophobicContact CD1-CG2 4.13Å; F28-I46 HydrophobicContact CE1-CG2 3.84Å; E29-I46 HydrophobicContact CG-CG2 4.19Å; L32-I46 HydrophobicContact CD1-CB 4.48Å; L32-I46 HydrophobicContact CD1-CD1 4.33Å; L32-I46 HydrophobicContact CD1-CG1 4.13Å; L32-I46 HydrophobicContact CD1-CG2 3.63Å; I41-I46 HydrophobicContact CB-CD1 4.35Å; I41-I46 HydrophobicContact CB-CG1 4.09Å; I41-I46 HydrophobicContact CG2-CG1 3.76Å; D42-I46 WeakPolarHBondContact O-CG1 3.47Å; D42-I46 PolarHBondContact O-N 2.86Å; S43-I46 PolarHBondContact O-N 3.46Å; I46-C49 PolarHBondContact O-N 3.46Å; I46-F50 WeakPolarHBondContact O-CB 3.22Å; I46-F50 PolarHBondContact O-N 3.46Å
47K92.2Very high89.9Confident114 Ų11462.8 Ų62.850%0.49633%0.333SS..Hα-helixtrans-63-48.9178.1-171.9177.9179.6-178.30112.2F25 S43 E44 C49 F50 D51F25-K47 HydrophobicContact CE2-CB 3.99Å; F25-K47 HydrophobicContact CE2-CG 4.3Å; F25-K47 HydrophobicContact CZ-CB 3.88Å; F25-K47 HydrophobicContact CZ-CG 4.3Å; S43-K47 VanDerWaalsContact O-CB 3.31Å; S43-K47 WeakPolarHBondContact O-CB 3.42Å; S43-K47 PolarHBondContact O-N 3.33Å; E44-K47 PolarHBondContact O-N 2.89Å; K47-C49 PolarHBondContact O-N 3.35Å; K47-F50 WeakPolarHBondContact O-CB 3.35Å; K47-F50 PolarHBondContact O-N 2.78Å; K47-F50 VanDerWaalsContact O-N 3.1Å; K47-D51 VanDerWaalsContact O-CG 3.31Å; K47-D51 PolarHBondContact O-N 3.14Å
48A92.3Very high90.3Very high39 Ų3962.3 Ų62.332%0.32233%0.333SS..Hα-helixtrans-60.5-35.1176.600000112.2E44 S52E44-A48 WeakPolarHBondContact O-CB 3.32Å; E44-A48 PolarHBondContact O-N 3.37Å; A48-S52 WeakPolarHBondContact O-CB 3.36Å; A48-S52 PolarHBondContact O-N 3.27Å; A48-S52 VanDerWaalsContact O-N 3.15Å
49C91.6Very high90.5Very high2 Ų265 Ų651%0.01436%0.355CS..Hα-helixtrans-69.7-44.8173.6-1690000111.6R5 I8 N45 I46 K47 S52 L53R5-C49 HydrophobicContact CG-CB 4.02Å; I8-C49 HydrophobicContact CD1-CB 3.61Å; N45-C49 WeakPolarHBondContact O-CB 3.31Å; N45-C49 PolarHBondContact O-N 3.43Å; I46-C49 PolarHBondContact O-N 3.46Å; K47-C49 PolarHBondContact O-N 3.35Å; C49-S52 PolarHBondContact O-N 2.95Å; C49-L53 WeakPolarHBondContact O-CB 3.42Å; C49-L53 VanDerWaalsContact O-CG 3.22Å; C49-L53 WeakPolarHBondContact O-CG 3.49Å; C49-L53 PolarHBondContact O-N 3.15Å
50F93.1Very high90.8Very high17 Ų1766.8 Ų66.88%0.07535%0.347CS..Hα-helixtrans-57.2-51.2175.7178.7-102.3000111.3L19 F25 F28 I46 K47 S52 L53 M54L19-F50 HydrophobicContact CD2-CD2 4.48Å; L19-F50 HydrophobicContact CD2-CE2 4.19Å; F25-F50 HydrophobicContact CB-CD1 4.18Å; F25-F50 HydrophobicContact CB-CE1 3.91Å; F25-F50 HydrophobicContact CB-CZ 4.18Å; F25-F50 HydrophobicContact CD2-CB 3.82Å; F25-F50 AromaticContact CD2-CD1 3.66Å; F25-F50 HydrophobicContact CD2-CD1 3.66Å; F25-F50 HydrophobicContact CD2-CD2 4.21Å; F25-F50 HydrophobicContact CD2-CE1 4.25Å; F25-F50 AromaticContact CD2-CG 3.63Å; F25-F50 HydrophobicContact CD2-CG 3.63Å; F25-F50 HydrophobicContact CE2-CB 3.99Å; F25-F50 HydrophobicContact CE2-CG 4.31Å; F25-F50 HydrophobicContact CG-CD1 4.36Å; F28-F50 HydrophobicContact CB-CD2 3.69Å; F28-F50 HydrophobicContact CB-CE2 3.81Å; F28-F50 HydrophobicContact CD1-CB 3.8Å; F28-F50 AromaticContact CD1-CD2 3.54Å; F28-F50 HydrophobicContact CD1-CD2 3.54Å; F28-F50 HydrophobicContact CD1-CE2 4.5Å; F28-F50 HydrophobicContact CD1-CG 4.03Å; F28-F50 HydrophobicContact CD2-CD2 4.05Å; F28-F50 HydrophobicContact CE1-CB 3.67Å; F28-F50 HydrophobicContact CE1-CD2 4.07Å; F28-F50 HydrophobicContact CE1-CG 4.34Å; F28-F50 AromaticContact CG-CD2 3.49Å; F28-F50 HydrophobicContact CG-CD2 3.49Å; F28-F50 VanDerWaalsContact CG-CD2 3.49Å; F28-F50 HydrophobicContact CG-CE2 4.1Å; F28-F50 HydrophobicContact CG-CG 4.41Å; F28-F50 HydrophobicContact CZ-CB 4.37Å; F28-F50 HydrophobicContact CZ-CD2 4.5Å; I46-F50 WeakPolarHBondContact O-CB 3.22Å; I46-F50 PolarHBondContact O-N 3.46Å; K47-F50 WeakPolarHBondContact O-CB 3.35Å; K47-F50 PolarHBondContact O-N 2.78Å; K47-F50 VanDerWaalsContact O-N 3.1Å; F50-S52 VanDerWaalsContact C-N 3.3Å; F50-S52 PolarHBondContact O-N 3.03Å; F50-L53 CarbonylContact O-C 3.59Å; F50-L53 PolarHBondContact O-N 2.76Å; F50-M54 HydrophobicContact CD1-CG 4.08Å; F50-M54 HydrophobicContact CD2-CG 4.35Å; F50-M54 HydrophobicContact CE1-CG 3.59Å; F50-M54 HydrophobicContact CE2-CE 3.78Å; F50-M54 HydrophobicContact CE2-CG 3.91Å; F50-M54 HydrophobicContact CE2-SD 4.45Å; F50-M54 HydrophobicContact CG-CG 4.44Å; F50-M54 HydrophobicContact CZ-CE 4.02Å; F50-M54 HydrophobicContact CZ-CG 3.5Å; F50-M54 VanDerWaalsContact CZ-CG 3.5Å; F50-M54 HydrophobicContact CZ-SD 4.11Å; F50-M54 PolarHBondContact O-N 2.99Å
51D92.9Very high90.9Very high78 Ų7861.8 Ų61.842%0.41733%0.327SS..Hα-helixtrans-58.4-43179.5-67.6-21000111.2K47 L53 M54 T55K47-D51 VanDerWaalsContact O-CG 3.31Å; K47-D51 PolarHBondContact O-N 3.14Å; D51-L53 VanDerWaalsContact C-N 3.33Å; D51-L53 PolarHBondContact O-N 2.9Å; D51-M54 PolarHBondContact O-N 3.26Å; D51-T55 WeakPolarHBondContact O-CB 3.48Å; D51-T55 PolarHBondContact O-N 2.88Å; D51-T55 PolarHBondContact O-OG1 3.45Å
52S91.9Very high90.9Very high39 Ų3969 Ų6927%0.27336%0.358SS..Hα-helixtrans-64.4-36.9176.2-172.80000112.7A48 C49 F50 K56A48-S52 WeakPolarHBondContact O-CB 3.36Å; A48-S52 PolarHBondContact O-N 3.27Å; A48-S52 VanDerWaalsContact O-N 3.15Å; C49-S52 PolarHBondContact O-N 2.95Å; F50-S52 VanDerWaalsContact C-N 3.3Å; F50-S52 PolarHBondContact O-N 3.03Å; S52-K56 WeakPolarHBondContact O-CG 3.41Å; S52-K56 PolarHBondContact O-N 3.33Å
53L91.2Very high90.8Very high19 Ų1968.6 Ų68.610%0.09936%0.36CS..Hα-helixtrans-74.5-42.1177.7-68.9169000111.5I8 K9 M12 L19 F28 C49 F50 D51 K56 V57I8-L53 HydrophobicContact CG2-CD1 4.45Å; K9-L53 HydrophobicContact CG-CD2 4.47Å; M12-L53 HydrophobicContact SD-CD1 3.76Å; L19-L53 HydrophobicContact CD1-CB 3.39Å; L19-L53 HydrophobicContact CD1-CD1 3.72Å; L19-L53 HydrophobicContact CD1-CG 4.07Å; F28-L53 HydrophobicContact CE2-CD1 4.26Å; F28-L53 HydrophobicContact CZ-CD1 4.18Å; C49-L53 WeakPolarHBondContact O-CB 3.42Å; C49-L53 VanDerWaalsContact O-CG 3.22Å; C49-L53 WeakPolarHBondContact O-CG 3.49Å; C49-L53 PolarHBondContact O-N 3.15Å; F50-L53 CarbonylContact O-C 3.59Å; F50-L53 PolarHBondContact O-N 2.76Å; D51-L53 VanDerWaalsContact C-N 3.33Å; D51-L53 PolarHBondContact O-N 2.9Å; L53-K56 WeakPolarHBondContact O-CB 3.36Å; L53-K56 PolarHBondContact O-N 2.85Å; L53-K56 VanDerWaalsContact O-N 3.14Å; L53-V57 WeakPolarHBondContact O-CG2 3.19Å; L53-V57 PolarHBondContact O-N 3.01Å
54M92.2Very high90.7Very high19 Ų1971.1 Ų71.19%0.09436%0.359CS..Hα-helixtrans-58.6-49.1173.6-82.4-59.8122.300111.2L19 S20 F50 D51 K56 V57 E58L19-M54 HydrophobicContact CB-CE 3.66Å; L19-M54 HydrophobicContact CD1-CE 4.08Å; L19-M54 HydrophobicContact CD2-CE 3.42Å; L19-M54 VanDerWaalsContact CD2-CE 3.42Å; L19-M54 HydrophobicContact CG-CE 3.89Å; S20-M54 WeakPolarHBondContact O-CE 3.31Å; F50-M54 HydrophobicContact CD1-CG 4.08Å; F50-M54 HydrophobicContact CD2-CG 4.35Å; F50-M54 HydrophobicContact CE1-CG 3.59Å; F50-M54 HydrophobicContact CE2-CE 3.78Å; F50-M54 HydrophobicContact CE2-CG 3.91Å; F50-M54 HydrophobicContact CE2-SD 4.45Å; F50-M54 HydrophobicContact CG-CG 4.44Å; F50-M54 HydrophobicContact CZ-CE 4.02Å; F50-M54 HydrophobicContact CZ-CG 3.5Å; F50-M54 VanDerWaalsContact CZ-CG 3.5Å; F50-M54 HydrophobicContact CZ-SD 4.11Å; F50-M54 PolarHBondContact O-N 2.99Å; D51-M54 PolarHBondContact O-N 3.26Å; M54-K56 PolarHBondContact O-N 3.39Å; M54-K56 VanDerWaalsContact O-N 3.15Å; M54-V57 WeakPolarHBondContact O-CA 3.25Å; M54-V57 WeakPolarHBondContact O-CB 3.49Å; M54-V57 PolarHBondContact O-N 3.21Å; M54-E58 WeakPolarHBondContact O-CG 3.35Å; M54-E58 PolarHBondContact O-N 2.96Å
55T92.2Very high90.6Very high87 Ų8767.3 Ų67.353%0.53435%0.349SS..Hα-helixtrans-53.9-40.2175.4-580000111.4D51 A59D51-T55 WeakPolarHBondContact O-CB 3.48Å; D51-T55 PolarHBondContact O-N 2.88Å; D51-T55 PolarHBondContact O-OG1 3.45Å; T55-A59 WeakPolarHBondContact O-CB 3.43Å; T55-A59 PolarHBondContact O-N 2.92Å
56K90.3Very high90.6Very high121 Ų12172.4 Ų72.453%0.52637%0.37SS..Hα-helixtrans-70.1-39.7176.5-76.8175178.3176.40113S52 L53 M54 K60S52-K56 WeakPolarHBondContact O-CG 3.41Å; S52-K56 PolarHBondContact O-N 3.33Å; L53-K56 WeakPolarHBondContact O-CB 3.36Å; L53-K56 PolarHBondContact O-N 2.85Å; L53-K56 VanDerWaalsContact O-N 3.14Å; M54-K56 PolarHBondContact O-N 3.39Å; M54-K56 VanDerWaalsContact O-N 3.15Å; K56-K60 VanDerWaalsContact O-CB 3.25Å; K56-K60 WeakPolarHBondContact O-CB 3.4Å; K56-K60 PolarHBondContact O-N 2.97Å
57V91.8Very high90.5Very high28 Ų2875.1 Ų75.117%0.1739%0.385CS..Hα-helixtrans-63.5-48.3176.3170.40000109.8L19 L53 M54 K60 E61L19-V57 HydrophobicContact CB-CG2 3.8Å; L53-V57 WeakPolarHBondContact O-CG2 3.19Å; L53-V57 PolarHBondContact O-N 3.01Å; M54-V57 WeakPolarHBondContact O-CA 3.25Å; M54-V57 WeakPolarHBondContact O-CB 3.49Å; M54-V57 PolarHBondContact O-N 3.21Å; V57-K60 PolarHBondContact O-N 3.15Å; V57-E61 HydrophobicContact CG1-CG 4.44Å; V57-E61 WeakPolarHBondContact O-CB 3.48Å; V57-E61 WeakPolarHBondContact O-CG 3.29Å; V57-E61 PolarHBondContact O-N 3.38Å
58E91.1Very high90.4Very high114 Ų11476.2 Ų76.253%0.53339%0.392SS..Hα-helixtrans-62.5-44.1177-67.7-177.5109.200112.2M54 K60 E61 K62M54-E58 WeakPolarHBondContact O-CG 3.35Å; M54-E58 PolarHBondContact O-N 2.96Å; E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 2.82Å; E58-E61 PolarHBondContact O-N 3.22Å; E58-K62 VanDerWaalsContact O-CB 3.24Å; E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 PolarHBondContact O-N 3.16Å
59A91.1Very high90.2Very high58 Ų5882.3 Ų82.348%0.47941%0.406SS..Hα-helixtrans-60.8-39.8175.600000111.7T55 S63T55-A59 WeakPolarHBondContact O-CB 3.43Å; T55-A59 PolarHBondContact O-N 2.92Å; A59-S63 WeakPolarHBondContact O-CB 3.42Å; A59-S63 PolarHBondContact O-N 2.85Å
60K90.3Very high90.3Very high121 Ų12187.5 Ų87.553%0.52643%0.429SS..Hα-helixtrans-69.1-44.2177.8-174.1174.8-176.8176.60112.1K56 V57 E58 S63 R64K56-K60 VanDerWaalsContact O-CB 3.25Å; K56-K60 WeakPolarHBondContact O-CB 3.4Å; K56-K60 PolarHBondContact O-N 2.97Å; V57-K60 PolarHBondContact O-N 3.15Å; E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 2.82Å; K60-S63 PolarHBondContact O-N 3.34Å; K60-R64 WeakPolarHBondContact O-CB 3.35Å; K60-R64 VanDerWaalsContact O-CG 3.29Å; K60-R64 WeakPolarHBondContact O-CG 3.42Å; K60-R64 PolarHBondContact O-N 2.86Å
61E88.8Confident90.2Very high87 Ų8792.9 Ų92.941%0.40746%0.456SS..Hα-helixtrans-60.9-45.6174.9-75.1-77.7105.900111V57 E58 S63 R64 S65V57-E61 HydrophobicContact CG1-CG 4.44Å; V57-E61 WeakPolarHBondContact O-CB 3.48Å; V57-E61 WeakPolarHBondContact O-CG 3.29Å; V57-E61 PolarHBondContact O-N 3.38Å; E58-E61 PolarHBondContact O-N 3.22Å; E61-S63 VanDerWaalsContact C-N 3.35Å; E61-S63 PolarHBondContact O-N 3.44Å; E61-R64 PolarHBondContact O-N 3.28Å; E61-R64 IonicContact OE1-NH1 2.82Å; E61-S65 WeakPolarHBondContact O-CB 3.48Å; E61-S65 PolarHBondContact O-N 2.86Å
62K87.6Confident90.1Very high165 Ų16595.3 Ų95.372%0.71746%0.459SS*.Hα-helixtrans-62.9-39.9176.5-172.4174-175.7174.10112.3E58 K66E58-K62 VanDerWaalsContact O-CB 3.24Å; E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 PolarHBondContact O-N 3.16Å; K62-K66 WeakPolarHBondContact O-CB 3.45Å; K62-K66 PolarHBondContact O-N 3.46Å; K62-K66 VanDerWaalsContact O-N 3.13Å
63S86.7Confident90.2Very high60 Ų6098.4 Ų98.442%0.4247%0.468SS..Hα-helixtrans-64.4-48.3174.2-166.60000111.1A59 K60 E61 S65 K66 D67A59-S63 WeakPolarHBondContact O-CB 3.42Å; A59-S63 PolarHBondContact O-N 2.85Å; K60-S63 PolarHBondContact O-N 3.34Å; E61-S63 VanDerWaalsContact C-N 3.35Å; E61-S63 PolarHBondContact O-N 3.44Å; S63-S65 PolarHBondContact O-N 2.93Å; S63-K66 WeakPolarHBondContact O-CB 3.44Å; S63-K66 PolarHBondContact O-N 2.89Å; S63-K66 VanDerWaalsContact O-N 3.16Å; S63-D67 WeakPolarHBondContact O-CB 3.36Å; S63-D67 VanDerWaalsContact O-CG 3.25Å; S63-D67 PolarHBondContact O-N 2.77Å; S63-D67 VanDerWaalsContact O-OD2 3.13Å; S63-D67 PolarHBondContact OG-OD2 3.06Å
64R87.8Confident90.3Very high126 Ų126100.1 Ų100.148%0.47548%0.484SS..Hα-helixtrans-56.3-51.4178.3-78.3170.9167.8-174.2-10.4111.8K60 E61 K66 D67 E68K60-R64 WeakPolarHBondContact O-CB 3.35Å; K60-R64 VanDerWaalsContact O-CG 3.29Å; K60-R64 WeakPolarHBondContact O-CG 3.42Å; K60-R64 PolarHBondContact O-N 2.86Å; E61-R64 PolarHBondContact O-N 3.28Å; E61-R64 IonicContact OE1-NH1 2.82Å; R64-K66 VanDerWaalsContact C-N 3.28Å; R64-K66 PolarHBondContact O-N 2.9Å; R64-D67 CarbonylContact O-C 3.59Å; R64-D67 PolarHBondContact O-N 3.28Å; R64-E68 WeakPolarHBondContact O-CB 3.43Å; R64-E68 WeakPolarHBondContact O-CG 3.47Å; R64-E68 PolarHBondContact O-N 3.13Å
65S86.3Confident90.4Very high76 Ų7699.5 Ų99.553%0.53148%0.482SS..Hα-helixtrans-58.7-40.3177.9179.60000112.3E61 S63 R69E61-S65 WeakPolarHBondContact O-CB 3.48Å; E61-S65 PolarHBondContact O-N 2.86Å; S63-S65 PolarHBondContact O-N 2.93Å; S65-R69 VanDerWaalsContact O-CB 3.31Å; S65-R69 WeakPolarHBondContact O-CB 3.4Å; S65-R69 PolarHBondContact O-N 2.83Å
66K89.5Confident90.5Very high135 Ų13597.7 Ų97.759%0.58747%0.468SS*.Hα-helixtrans-66.2-40.4176.2-173.1178.5179.9-178.70111.8K62 S63 R64 K70K62-K66 WeakPolarHBondContact O-CB 3.45Å; K62-K66 PolarHBondContact O-N 3.46Å; K62-K66 VanDerWaalsContact O-N 3.13Å; S63-K66 WeakPolarHBondContact O-CB 3.44Å; S63-K66 PolarHBondContact O-N 2.89Å; S63-K66 VanDerWaalsContact O-N 3.16Å; R64-K66 VanDerWaalsContact C-N 3.28Å; R64-K66 PolarHBondContact O-N 2.9Å; K66-K70 VanDerWaalsContact O-CG 3.29Å; K66-K70 WeakPolarHBondContact O-CG 3.24Å; K66-K70 PolarHBondContact O-N 3.34Å
67D89.6Confident90.8Very high73 Ų7395.2 Ų95.239%0.3947%0.465SS..Hα-helixtrans-74.8-38-178.9-65.8-31.7000111.8S63 R64 K70 M71S63-D67 WeakPolarHBondContact O-CB 3.36Å; S63-D67 VanDerWaalsContact O-CG 3.25Å; S63-D67 PolarHBondContact O-N 2.77Å; S63-D67 VanDerWaalsContact O-OD2 3.13Å; S63-D67 PolarHBondContact OG-OD2 3.06Å; R64-D67 CarbonylContact O-C 3.59Å; R64-D67 PolarHBondContact O-N 3.28Å; D67-K70 PolarHBondContact O-N 3.11Å; D67-K70 IonicContact OD1-NZ 2.64Å; D67-K70 PolarHBondContact OD1-NZ 3.17Å; D67-K70 VanDerWaalsContact OD1-NZ 3.17Å; D67-M71 WeakPolarHBondContact O-CB 3.33Å; D67-M71 PolarHBondContact O-N 3.31Å
68E89.3Confident91Very high136 Ų13695.2 Ų95.264%0.63647%0.468SS*.Hα-helixtrans-60.5-45.5169.9-73.7174.998.400111.1R64 K70 M71 R72R64-E68 WeakPolarHBondContact O-CB 3.43Å; R64-E68 WeakPolarHBondContact O-CG 3.47Å; R64-E68 PolarHBondContact O-N 3.13Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 3.4Å; E68-M71 PolarHBondContact O-N 3.16Å; E68-R72 WeakPolarHBondContact O-CB 3.45Å; E68-R72 PolarHBondContact O-N 3.18Å
69R89.9Confident91.2Very high168 Ų16889.8 Ų89.863%0.63444%0.443SS*.Hα-helixtrans-61.9-39.3175.9-174178.6-176.6-165.41.3112.1S65 K73S65-R69 VanDerWaalsContact O-CB 3.31Å; S65-R69 WeakPolarHBondContact O-CB 3.4Å; S65-R69 PolarHBondContact O-N 2.83Å; R69-K73 WeakPolarHBondContact O-CB 3.47Å; R69-K73 WeakPolarHBondContact O-CG 3.4Å; R69-K73 PolarHBondContact O-N 3.31Å
70K92.6Very high91.3Very high111 Ų11188.9 Ų88.948%0.48343%0.432SS..Hα-helixtrans-66.7-45.5175.8-75.5169.9-175.8167.80111.2K66 D67 E68 R72 K73 A74K66-K70 VanDerWaalsContact O-CG 3.29Å; K66-K70 WeakPolarHBondContact O-CG 3.24Å; K66-K70 PolarHBondContact O-N 3.34Å; D67-K70 PolarHBondContact O-N 3.11Å; D67-K70 IonicContact OD1-NZ 2.64Å; D67-K70 PolarHBondContact OD1-NZ 3.17Å; D67-K70 VanDerWaalsContact OD1-NZ 3.17Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 3.4Å; K70-R72 VanDerWaalsContact C-N 3.33Å; K70-R72 PolarHBondContact O-N 2.91Å; K70-K73 PolarHBondContact O-N 3.45Å; K70-A74 WeakPolarHBondContact O-CB 3.42Å; K70-A74 PolarHBondContact O-N 3.39Å
71M91.7Very high91.5Very high130 Ų13088 Ų8864%0.6443%0.432SS*.Hα-helixtrans-62.2-44.7-179.7-169.564.790.700110.6D67 E68 A74 A75D67-M71 WeakPolarHBondContact O-CB 3.33Å; D67-M71 PolarHBondContact O-N 3.31Å; E68-M71 PolarHBondContact O-N 3.16Å; M71-A74 WeakPolarHBondContact O-CB 3.29Å; M71-A74 PolarHBondContact O-N 3.5Å; M71-A75 PolarHBondContact O-N 2.85Å
72R90.8Very high91.8Very high128 Ų12884.4 Ų84.448%0.48342%0.416SS..Hα-helixtrans-57.1-51.8173.8-177.5179170.8145.57.5111.7E68 K70 A74 A75 E76 E117E68-R72 WeakPolarHBondContact O-CB 3.45Å; E68-R72 PolarHBondContact O-N 3.18Å; K70-R72 VanDerWaalsContact C-N 3.33Å; K70-R72 PolarHBondContact O-N 2.91Å; R72-A74 VanDerWaalsContact C-N 3.26Å; R72-A74 PolarHBondContact O-N 3.25Å; R72-A75 WeakPolarHBondContact O-CB 3.35Å; R72-A75 PolarHBondContact O-N 3.22Å; R72-A75 VanDerWaalsContact O-N 3.12Å; R72-E76 HydrophobicContact CG-CG 4.42Å; R72-E76 WeakPolarHBondContact CG-OE1 3.31Å; R72-E76 IonicContact CZ-OE1 3.89Å; R72-E76 IonicContact NE-OE1 2.96Å; R72-E76 PolarHBondContact NE-OE1 3.24Å; R72-E76 IonicContact NH2-OE1 3.94Å; R72-E76 VanDerWaalsContact O-CG 3.3Å; R72-E76 WeakPolarHBondContact O-CG 3.39Å; R72-E76 PolarHBondContact O-N 3.39Å; R72-E117 IonicContact CZ-OE2 3.56Å; R72-E117 IonicContact NE-OE2 3.39Å; R72-E117 PolarHBondContact NE-OE2 3.38Å; R72-E117 IonicContact NH1-OE2 3.26Å; R72-E117 IonicContact NH2-OE2 3.48Å; R72-E117 PolarHBondContact NH2-OE2 2.93Å
73K92.6Very high92.1Very high105 Ų10576.6 Ų76.646%0.45738%0.381SS..Hα-helixtrans-59.1-36.1176.5-76.5-178.1173.6-164.30113.3R69 K70 S77R69-K73 WeakPolarHBondContact O-CB 3.47Å; R69-K73 WeakPolarHBondContact O-CG 3.4Å; R69-K73 PolarHBondContact O-N 3.31Å; K70-K73 PolarHBondContact O-N 3.45Å; K73-S77 VanDerWaalsContact O-CB 3.3Å; K73-S77 WeakPolarHBondContact O-CB 3.47Å; K73-S77 PolarHBondContact O-N 3.27Å; K73-S77 PolarHBondContact O-OG 2.83Å
74A94.7Very high92.2Very high54 Ų5481 Ų8145%0.44639%0.389SS..Hα-helixtrans-67.4-42.2176.600000111.2K70 M71 R72 S77 A78K70-A74 WeakPolarHBondContact O-CB 3.42Å; K70-A74 PolarHBondContact O-N 3.39Å; M71-A74 WeakPolarHBondContact O-CB 3.29Å; M71-A74 PolarHBondContact O-N 3.5Å; R72-A74 VanDerWaalsContact C-N 3.26Å; R72-A74 PolarHBondContact O-N 3.25Å; A74-S77 PolarHBondContact O-N 3.03Å; A74-A78 WeakPolarHBondContact O-CB 3.4Å; A74-A78 PolarHBondContact O-N 2.98Å
75A94.3Very high92.3Very high6 Ų679.7 Ų79.75%0.0540%0.399CS..Hα-helixtrans-62.1-47.8174.100000111.7M71 R72 S77 A78 F79 Q111 V112M71-A75 PolarHBondContact O-N 2.85Å; R72-A75 WeakPolarHBondContact O-CB 3.35Å; R72-A75 PolarHBondContact O-N 3.22Å; R72-A75 VanDerWaalsContact O-N 3.12Å; A75-S77 VanDerWaalsContact C-N 3.31Å; A75-S77 PolarHBondContact O-N 2.79Å; A75-A78 PolarHBondContact O-N 3.15Å; A75-F79 WeakPolarHBondContact O-CB 3.27Å; A75-F79 PolarHBondContact O-N 2.91Å; A75-Q111 HydrophobicContact CB-CB 4.05Å; A75-V112 HydrophobicContact CB-CG2 4.44Å
76E94.4Very high92.4Very high50 Ų5078.1 Ų78.123%0.23438%0.384CS..Hα-helixtrans-57.9-43.4175.5-66.5171.1-178.700111.5R72 F79 T80 L121R72-E76 HydrophobicContact CG-CG 4.42Å; R72-E76 WeakPolarHBondContact CG-OE1 3.31Å; R72-E76 IonicContact CZ-OE1 3.89Å; R72-E76 IonicContact NE-OE1 2.96Å; R72-E76 PolarHBondContact NE-OE1 3.24Å; R72-E76 IonicContact NH2-OE1 3.94Å; R72-E76 VanDerWaalsContact O-CG 3.3Å; R72-E76 WeakPolarHBondContact O-CG 3.39Å; R72-E76 PolarHBondContact O-N 3.39Å; E76-F79 PolarHBondContact O-N 3.34Å; E76-T80 WeakPolarHBondContact O-CB 3.48Å; E76-T80 PolarHBondContact O-N 3.1Å; E76-T80 PolarHBondContact O-OG1 2.64Å; E76-L121 HydrophobicContact CB-CD1 4.29Å; E76-L121 HydrophobicContact CB-CD2 3.75Å; E76-L121 HydrophobicContact CG-CD1 4.05Å; E76-L121 HydrophobicContact CG-CD2 3.81Å; E76-L121 HydrophobicContact CG-CG 4.46Å
77S95.2Very high91.8Very high68 Ų6873.5 Ų73.548%0.47638%0.375SS..Hα-helixtrans-66-44.6177.8-59.60000111.6K73 A74 A75 F79 T80 L81K73-S77 VanDerWaalsContact O-CB 3.3Å; K73-S77 WeakPolarHBondContact O-CB 3.47Å; K73-S77 PolarHBondContact O-N 3.27Å; K73-S77 PolarHBondContact O-OG 2.83Å; A74-S77 PolarHBondContact O-N 3.03Å; A75-S77 VanDerWaalsContact C-N 3.31Å; A75-S77 PolarHBondContact O-N 2.79Å; S77-F79 VanDerWaalsContact C-N 3.32Å; S77-F79 PolarHBondContact O-N 3.4Å; S77-T80 PolarHBondContact O-N 3.45Å; S77-L81 WeakPolarHBondContact O-CB 3.21Å; S77-L81 VanDerWaalsContact O-CG 3.27Å; S77-L81 WeakPolarHBondContact O-CG 3.47Å; S77-L81 PolarHBondContact O-N 2.99Å
78A96Very high91.1Very high28 Ų2881 Ų8123%0.23140%0.398CS..Hα-helixtrans-63-39.9176.900000111.6A74 A75 L81 M82 P108A74-A78 WeakPolarHBondContact O-CB 3.4Å; A74-A78 PolarHBondContact O-N 2.98Å; A75-A78 PolarHBondContact O-N 3.15Å; A78-L81 PolarHBondContact O-N 3.11Å; A78-M82 WeakPolarHBondContact O-CB 3.46Å; A78-M82 PolarHBondContact O-N 3.29Å; A78-P108 HydrophobicContact CB-CB 3.99Å; A78-P108 HydrophobicContact CB-CG 4.27Å
79F95.9Very high90.7Very high0 Ų077.2 Ų77.20%039%0.386CS..Hα-helixtrans-62-46.5175.2-169.2-84.6000111.3A75 E76 S77 L81 M82 L83 W96 I103 F109 V112 R118 L121A75-F79 WeakPolarHBondContact O-CB 3.27Å; A75-F79 PolarHBondContact O-N 2.91Å; E76-F79 PolarHBondContact O-N 3.34Å; S77-F79 VanDerWaalsContact C-N 3.32Å; S77-F79 PolarHBondContact O-N 3.4Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 3.48Å; F79-M82 HydrophobicContact CD2-CE 3.75Å; F79-M82 HydrophobicContact CE2-CE 3.88Å; F79-M82 HydrophobicContact CG-CE 4.14Å; F79-M82 HydrophobicContact CZ-CE 4.39Å; F79-M82 WeakPolarHBondContact O-CB 3.34Å; F79-M82 PolarHBondContact O-N 3.03Å; F79-L83 HydrophobicContact CD1-CD1 3.91Å; F79-L83 HydrophobicContact CD1-CG 4.19Å; F79-L83 HydrophobicContact CE1-CD1 3.69Å; F79-L83 HydrophobicContact CE1-CD2 4.41Å; F79-L83 HydrophobicContact CE1-CG 4.05Å; F79-L83 PolarHBondContact O-N 3.37Å; F79-W96 AromaticContact CZ-CH2 3.83Å; F79-W96 HydrophobicContact CZ-CH2 3.83Å; F79-W96 AromaticContact CZ-CZ3 3.98Å; F79-W96 HydrophobicContact CZ-CZ3 3.98Å; F79-I103 HydrophobicContact CE2-CD1 4.27Å; F79-I103 HydrophobicContact CZ-CD1 3.92Å; F79-F109 HydrophobicContact CE2-CB 4.36Å; F79-F109 AromaticContact CE2-CD2 3.87Å; F79-F109 HydrophobicContact CE2-CD2 3.87Å; F79-F109 HydrophobicContact CE2-CG 4.45Å; F79-F109 HydrophobicContact CZ-CD2 4.49Å; F79-V112 HydrophobicContact CB-CG2 4.15Å; F79-V112 HydrophobicContact CD2-CB 4.45Å; F79-V112 HydrophobicContact CD2-CG2 3.82Å; F79-V112 HydrophobicContact CG-CG2 4.21Å; F79-R118 HydrophobicContact CE2-CB 4.17Å; F79-R118 HydrophobicContact CE2-CG 4.07Å; F79-R118 HydrophobicContact CZ-CB 4.01Å; F79-R118 HydrophobicContact CZ-CG 4.42Å; F79-L121 HydrophobicContact CB-CD1 4.16Å; F79-L121 HydrophobicContact CD1-CB 3.69Å; F79-L121 HydrophobicContact CD1-CD1 3.97Å; F79-L121 HydrophobicContact CD1-CG 4.47Å; F79-L121 HydrophobicContact CE1-CB 3.81Å; F79-L121 HydrophobicContact CG-CD1 4.02Å
80T93.7Very high90.5Very high39 Ų3969.4 Ų69.424%0.23936%0.357CS..Hα-helixtrans-63.1-40176.7-54.50000112.1E76 S77 M82 L83 R84 Y125E76-T80 WeakPolarHBondContact O-CB 3.48Å; E76-T80 PolarHBondContact O-N 3.1Å; E76-T80 PolarHBondContact O-OG1 2.64Å; S77-T80 PolarHBondContact O-N 3.45Å; T80-M82 VanDerWaalsContact C-N 3.34Å; T80-L83 PolarHBondContact O-N 2.88Å; T80-R84 WeakPolarHBondContact O-CB 3.42Å; T80-R84 PolarHBondContact O-N 3.27Å; T80-Y125 HydrophobicContact CG2-CD2 3.85Å; T80-Y125 HydrophobicContact CG2-CE2 4.47Å
81L94.3Very high90.1Very high102 Ų10268.1 Ų68.153%0.53436%0.355SS..Hα-helixtrans-65.5-38.5175.9-72.5172.4000111.9S77 A78 F79 R84 S85S77-L81 WeakPolarHBondContact O-CB 3.21Å; S77-L81 VanDerWaalsContact O-CG 3.27Å; S77-L81 WeakPolarHBondContact O-CG 3.47Å; S77-L81 PolarHBondContact O-N 2.99Å; A78-L81 PolarHBondContact O-N 3.11Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 3.48Å; L81-R84 WeakPolarHBondContact O-CB 3.3Å; L81-R84 PolarHBondContact O-N 3.39Å; L81-S85 PolarHBondContact O-N 3.03Å
82M94.3Very high89.8Confident13 Ų1364.1 Ų64.16%0.06434%0.339CS..Hα-helixtrans-62.1-48173.8177.2-17269.100111.1A78 F79 T80 R84 S85 L86 I103 Q106 P108 F109A78-M82 WeakPolarHBondContact O-CB 3.46Å; A78-M82 PolarHBondContact O-N 3.29Å; F79-M82 HydrophobicContact CD2-CE 3.75Å; F79-M82 HydrophobicContact CE2-CE 3.88Å; F79-M82 HydrophobicContact CG-CE 4.14Å; F79-M82 HydrophobicContact CZ-CE 4.39Å; F79-M82 WeakPolarHBondContact O-CB 3.34Å; F79-M82 PolarHBondContact O-N 3.03Å; T80-M82 VanDerWaalsContact C-N 3.34Å; M82-R84 VanDerWaalsContact C-N 3.28Å; M82-R84 PolarHBondContact O-N 2.99Å; M82-S85 WeakPolarHBondContact O-CB 3.3Å; M82-S85 PolarHBondContact O-N 3.12Å; M82-S85 PolarHBondContact O-OG 3.3Å; M82-L86 PolarHBondContact O-N 2.87Å; M82-I103 HydrophobicContact CE-CB 3.67Å; M82-I103 HydrophobicContact CE-CD1 3.7Å; M82-I103 HydrophobicContact CE-CG1 4.17Å; M82-I103 HydrophobicContact CE-CG2 3.99Å; M82-I103 HydrophobicContact CG-CG2 4.22Å; M82-I103 HydrophobicContact SD-CB 3.93Å; M82-I103 HydrophobicContact SD-CG2 4.15Å; M82-Q106 HydrophobicContact CG-CB 4.43Å; M82-Q106 HydrophobicContact CG-CG 4.45Å; M82-Q106 HydrophobicContact SD-CB 3.3Å; M82-Q106 WeakPolarHBondContact SD-CB 3.47Å; M82-Q106 HydrophobicContact SD-CG 3.8Å; M82-P108 HydrophobicContact CB-CB 4.21Å; M82-P108 HydrophobicContact CB-CG 4.2Å; M82-P108 HydrophobicContact CE-CB 4.32Å; M82-P108 HydrophobicContact SD-CB 3.84Å; M82-P108 HydrophobicContact SD-CG 4.05Å; M82-F109 HydrophobicContact CE-CB 4.11Å; M82-F109 HydrophobicContact SD-CB 4.41Å
83L93.6Very high89.5Confident0 Ų064 Ų640%035%0.348CS..Hα-helixtrans-57.2-42.5173.8-69178000111.9F79 T80 S85 L86 V90 V99 I103 F122 Y125F79-L83 HydrophobicContact CD1-CD1 3.91Å; F79-L83 HydrophobicContact CD1-CG 4.19Å; F79-L83 HydrophobicContact CE1-CD1 3.69Å; F79-L83 HydrophobicContact CE1-CD2 4.41Å; F79-L83 HydrophobicContact CE1-CG 4.05Å; F79-L83 PolarHBondContact O-N 3.37Å; T80-L83 PolarHBondContact O-N 2.88Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 2.73Å; L83-L86 WeakPolarHBondContact O-CB 3.33Å; L83-L86 PolarHBondContact O-N 3.07Å; L83-V90 HydrophobicContact CD2-CG2 4.47Å; L83-V99 HydrophobicContact CD2-CG1 3.79Å; L83-I103 HydrophobicContact CD2-CD1 3.88Å; L83-F122 HydrophobicContact CD1-CB 4.43Å; L83-F122 HydrophobicContact CD1-CD2 4.27Å; L83-F122 HydrophobicContact CD2-CD2 4.19Å; L83-Y125 HydrophobicContact CB-CD1 3.65Å; L83-Y125 HydrophobicContact CB-CD2 4.46Å; L83-Y125 HydrophobicContact CB-CE1 3.74Å; L83-Y125 HydrophobicContact CB-CG 4.03Å; L83-Y125 HydrophobicContact CD1-CD1 3.78Å; L83-Y125 HydrophobicContact CD1-CG 3.8Å; L83-Y125 HydrophobicContact CG-CD1 4.32Å
84R90.6Very high89.4Confident154 Ų15459.9 Ų59.958%0.58133%0.333SS*.Hα-helixtrans-62-36175-171.3-173.4-60.3-172.4-0.9113T80 L81 M82 L86 G87 Y125T80-R84 WeakPolarHBondContact O-CB 3.42Å; T80-R84 PolarHBondContact O-N 3.27Å; L81-R84 WeakPolarHBondContact O-CB 3.3Å; L81-R84 PolarHBondContact O-N 3.39Å; M82-R84 VanDerWaalsContact C-N 3.28Å; M82-R84 PolarHBondContact O-N 2.99Å; R84-L86 VanDerWaalsContact C-N 3.26Å; R84-L86 PolarHBondContact O-N 2.98Å; R84-G87 PolarHBondContact O-N 2.9Å; R84-G87 VanDerWaalsContact O-N 3.07Å; R84-Y125 VanDerWaalsContact CA-OH 3.29Å; R84-Y125 WeakPolarHBondContact CA-OH 3.46Å; R84-Y125 HydrophobicContact CB-CE2 4.21Å
85S89.9Confident89.3Confident97 Ų9760.5 Ų60.568%0.67833%0.331SS*.Hα-helixtrans-68.1-26.6179.377.40000113L81 M82 L83 G87L81-S85 PolarHBondContact O-N 3.03Å; M82-S85 WeakPolarHBondContact O-CB 3.3Å; M82-S85 PolarHBondContact O-N 3.12Å; M82-S85 PolarHBondContact O-OG 3.3Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 2.73Å; S85-G87 PolarHBondContact O-N 2.93Å
86L87.5Confident89.2Confident44 Ų4461.5 Ų61.523%0.2333%0.333CS..Hα-helixtrans-66-20.8171.8-64.8-178.1000112.4M82 L83 R84 R88 S89 V90 V99 I103M82-L86 PolarHBondContact O-N 2.87Å; L83-L86 WeakPolarHBondContact O-CB 3.33Å; L83-L86 PolarHBondContact O-N 3.07Å; R84-L86 VanDerWaalsContact C-N 3.26Å; R84-L86 PolarHBondContact O-N 2.98Å; L86-R88 PolarHBondContact O-N 3.09Å; L86-S89 PolarHBondContact O-N 3.49Å; L86-V90 HydrophobicContact CB-CG2 3.85Å; L86-V90 HydrophobicContact CD1-CG2 3.67Å; L86-V90 HydrophobicContact CG-CG2 4.42Å; L86-V99 HydrophobicContact CD1-CG1 3.92Å; L86-I103 HydrophobicContact CD1-CG2 3.41Å; L86-I103 VanDerWaalsContact CD1-CG2 3.41Å; L86-I103 HydrophobicContact CD2-CG2 4.31Å; L86-I103 HydrophobicContact CG-CG2 4.15Å
87G77.1Confident89.1Confident38 Ų3864.9 Ų64.939%0.39235%0.353SS..G310 helixtrans53.6-107.8171.100000112.5R84 S85 S89 V90R84-G87 PolarHBondContact O-N 2.9Å; R84-G87 VanDerWaalsContact O-N 3.07Å; S85-G87 PolarHBondContact O-N 2.93Å; G87-S89 PolarHBondContact O-N 3.39Å; G87-V90 PolarHBondContact O-N 2.85Å
88R75.3Confident88.9Confident230 Ų23067.1 Ų67.187%0.86836%0.356SS*.G310 helixtrans-66.8-14.5-177.6-73-172.9-72.3-102.8-0.2114.6L86L86-R88 PolarHBondContact O-N 3.09Å
89S80.1Confident88.6Confident56 Ų5665.9 Ų65.939%0.39235%0.345SS..G310 helixtrans-80.8-18.7177.6-59.60000113.2L86 G87L86-S89 PolarHBondContact O-N 3.49Å; G87-S89 PolarHBondContact O-N 3.39Å
90V85.8Confident88.5Confident4 Ų470.3 Ų70.32%0.02436%0.362CS..SBendtrans-113.1102.3175.6-173.20000108.7L83 L86 G87 V99 F122 Y125 V126 L129L83-V90 HydrophobicContact CD2-CG2 4.47Å; L86-V90 HydrophobicContact CB-CG2 3.85Å; L86-V90 HydrophobicContact CD1-CG2 3.67Å; L86-V90 HydrophobicContact CG-CG2 4.42Å; G87-V90 PolarHBondContact O-N 2.85Å; V90-V99 HydrophobicContact CG2-CG1 3.83Å; V90-V99 HydrophobicContact CG2-CG2 3.97Å; V90-F122 HydrophobicContact CG1-CE2 3.98Å; V90-Y125 HydrophobicContact CB-CE1 4.09Å; V90-Y125 HydrophobicContact CG1-CD1 3.84Å; V90-Y125 HydrophobicContact CG1-CE1 3.63Å; V90-V126 HydrophobicContact CG1-CG2 4.35Å; V90-L129 HydrophobicContact CG1-CD1 4.18Å
91L84.6Confident88.4Confident84 Ų8472 Ų7244%0.4437%0.373SS..  trans-101.6164178.8-63.7175.1000110.7D93 S94L91-D93 WeakPolarHBondContact CB-OD1 3.48Å; L91-D93 PolarHBondContact O-N 2.96Å; L91-D93 VanDerWaalsContact O-N 3.07Å; L91-S94 PolarHBondContact N-OG 2.86Å; L91-S94 WeakPolarHBondContact O-CB 3.04Å; L91-S94 PolarHBondContact O-N 2.98Å; L91-S94 PolarHBondContact O-OG 3Å
92P84.4Confident88.3Confident46 Ų4671.1 Ų71.130%0.29937%0.367SS..THydrogen-bonded Turntrans-56.9-19.2176.1-27.837.5000115.4V126 L129 Q130P92-V126 WeakPolarHBondContact O-CG1 3.4Å; P92-L129 HydrophobicContact CG-CB 4.4Å; P92-Q130 HydrophobicContact CB-CG 3.66Å; P92-Q130 PolarHBondContact O-NE2 3.12Å
93D86.3Confident88.2Confident126 Ų12670.5 Ų70.567%0.67436%0.364SS*.THydrogen-bonded Turntrans-108.50.2179.260.9-46.8000113.6L91L91-D93 WeakPolarHBondContact CB-OD1 3.48Å; L91-D93 PolarHBondContact O-N 2.96Å; L91-D93 VanDerWaalsContact O-N 3.07Å
94S89.1Confident88.2Confident19 Ų1975.2 Ų75.213%0.13339%0.386CS..  trans-62.9142.8177.4-67.90000111.8L91 F122L91-S94 PolarHBondContact N-OG 2.86Å; L91-S94 WeakPolarHBondContact O-CB 3.04Å; L91-S94 PolarHBondContact O-N 2.98Å; L91-S94 PolarHBondContact O-OG 3Å; S94-F122 WeakPolarHBondContact O-CZ 3.46Å
95T92Very high88.3Confident67 Ų6772.5 Ų72.541%0.41138%0.383SS..  trans-98157175.8650000111.7D97 E98 V99T95-D97 VanDerWaalsContact C-N 3.28Å; T95-D97 PolarHBondContact O-N 2.96Å; T95-E98 WeakPolarHBondContact CB-OE2 3.35Å; T95-E98 PolarHBondContact N-OE2 3.25Å; T95-E98 PolarHBondContact O-N 3.4Å; T95-E98 VanDerWaalsContact OG1-CD 3.3Å; T95-E98 VanDerWaalsContact OG1-CG 3.29Å; T95-E98 WeakPolarHBondContact OG1-CG 3.43Å; T95-E98 PolarHBondContact OG1-OE2 3.29Å; T95-V99 PolarHBondContact O-N 3.39Å
96W92.8Very high88.4Confident26 Ų2671.7 Ų71.710%0.09837%0.368CS..Hα-helixtrans-60.6-39.7178.7174.4-115.8000112F79 E98 V99 R100 I103 F109 R118 V119 F122F79-W96 AromaticContact CZ-CH2 3.83Å; F79-W96 HydrophobicContact CZ-CH2 3.83Å; F79-W96 AromaticContact CZ-CZ3 3.98Å; F79-W96 HydrophobicContact CZ-CZ3 3.98Å; W96-E98 PolarHBondContact O-N 3.41Å; W96-V99 PolarHBondContact O-N 3.39Å; W96-R100 HydrophobicContact CD2-CB 4.22Å; W96-R100 HydrophobicContact CH2-CB 4.41Å; W96-R100 HydrophobicContact CZ2-CB 4.03Å; W96-R100 HydrophobicContact CZ2-CG 4.02Å; W96-R100 WeakPolarHBondContact O-CB 3.3Å; W96-R100 PolarHBondContact O-N 3.24Å; W96-I103 HydrophobicContact CH2-CD1 4.03Å; W96-I103 HydrophobicContact CZ3-CD1 3.91Å; W96-F109 HydrophobicContact CH2-CD2 4.3Å; W96-F109 AromaticContact CH2-CE2 3.75Å; W96-F109 HydrophobicContact CH2-CE2 3.75Å; W96-F109 AromaticContact CZ2-CE2 3.92Å; W96-F109 HydrophobicContact CZ2-CE2 3.92Å; W96-R118 HydrophobicContact CH2-CB 3.74Å; W96-R118 HydrophobicContact CZ2-CB 3.78Å; W96-V119 HydrophobicContact CD2-CG2 4.13Å; W96-V119 HydrophobicContact CG-CG2 4.02Å; W96-V119 HydrophobicContact CZ2-CG2 4.5Å; W96-F122 HydrophobicContact CB-CD1 3.91Å; W96-F122 HydrophobicContact CB-CE1 3.96Å; W96-F122 HydrophobicContact CD2-CD1 4.49Å; W96-F122 HydrophobicContact CD2-CG 4.5Å; W96-F122 HydrophobicContact CE3-CB 3.51Å; W96-F122 AromaticContact CE3-CD1 3.85Å; W96-F122 HydrophobicContact CE3-CD1 3.85Å; W96-F122 AromaticContact CE3-CD2 3.97Å; W96-F122 HydrophobicContact CE3-CD2 3.97Å; W96-F122 AromaticContact CE3-CG 3.48Å; W96-F122 HydrophobicContact CE3-CG 3.48Å; W96-F122 VanDerWaalsContact CE3-CG 3.48Å; W96-F122 HydrophobicContact CZ3-CB 3.7Å; W96-F122 HydrophobicContact CZ3-CD2 4.35Å; W96-F122 HydrophobicContact CZ3-CG 4.05Å; W96-F122 VanDerWaalsContact N-CE1 3.35Å
97D92.4Very high88.7Confident122 Ų12273.3 Ų73.365%0.65238%0.383SS*.Hα-helixtrans-62.9-28.2179.9-65.6-74.4000113.3T95 P101T95-D97 VanDerWaalsContact C-N 3.28Å; T95-D97 PolarHBondContact O-N 2.96Å; D97-P101 WeakPolarHBondContact O-CD 3.14Å
98E90.3Very high89.5Confident115 Ų11572.7 Ų72.754%0.53737%0.373SS..Hα-helixtrans-78-38.9176-69.4169.211800112.4T95 W96T95-E98 WeakPolarHBondContact CB-OE2 3.35Å; T95-E98 PolarHBondContact N-OE2 3.25Å; T95-E98 PolarHBondContact O-N 3.4Å; T95-E98 VanDerWaalsContact OG1-CD 3.3Å; T95-E98 VanDerWaalsContact OG1-CG 3.29Å; T95-E98 WeakPolarHBondContact OG1-CG 3.43Å; T95-E98 PolarHBondContact OG1-OE2 3.29Å; W96-E98 PolarHBondContact O-N 3.41Å
99V91.4Very high90.4Very high1 Ų162.3 Ų62.31%0.00633%0.334CS..Hα-helixtrans-85.9-36.7-172.9177.30000111.9L83 L86 V90 T95 W96 Q102 I103 F122L83-V99 HydrophobicContact CD2-CG1 3.79Å; L86-V99 HydrophobicContact CD1-CG1 3.92Å; V90-V99 HydrophobicContact CG2-CG1 3.83Å; V90-V99 HydrophobicContact CG2-CG2 3.97Å; T95-V99 PolarHBondContact O-N 3.39Å; W96-V99 PolarHBondContact O-N 3.39Å; V99-Q102 WeakPolarHBondContact O-CB 3.18Å; V99-Q102 PolarHBondContact O-N 3.23Å; V99-I103 HydrophobicContact CG1-CD1 4.22Å; V99-I103 PolarHBondContact O-N 3.25Å; V99-F122 HydrophobicContact CB-CD2 4.47Å; V99-F122 HydrophobicContact CB-CE2 3.92Å; V99-F122 HydrophobicContact CB-CZ 4.49Å; V99-F122 HydrophobicContact CG1-CD2 4.33Å; V99-F122 HydrophobicContact CG1-CE2 4.11Å; V99-F122 HydrophobicContact CG2-CE2 3.73Å; V99-F122 HydrophobicContact CG2-CZ 4.12Å
100R92.5Very high91Very high94 Ų9466 Ų6636%0.35534%0.343SS..Hα-helixtrans-47.1-53.5179.6177.1-172.6172.4-175.36.5113.8W96 Q102 I103 E104 F109 E115W96-R100 HydrophobicContact CD2-CB 4.22Å; W96-R100 HydrophobicContact CH2-CB 4.41Å; W96-R100 HydrophobicContact CZ2-CB 4.03Å; W96-R100 HydrophobicContact CZ2-CG 4.02Å; W96-R100 WeakPolarHBondContact O-CB 3.3Å; W96-R100 PolarHBondContact O-N 3.24Å; R100-Q102 PolarHBondContact O-N 3.36Å; R100-Q102 VanDerWaalsContact O-N 3.12Å; R100-I103 WeakPolarHBondContact O-CG1 3.48Å; R100-I103 PolarHBondContact O-N 2.91Å; R100-I103 VanDerWaalsContact O-N 3.09Å; R100-E104 PolarHBondContact O-N 3.32Å; R100-F109 HydrophobicContact CG-CE2 4.28Å; R100-F109 HydrophobicContact CG-CZ 4.39Å; R100-E115 IonicContact CZ-OE1 2.99Å; R100-E115 VanDerWaalsContact CZ-OE1 3.26Å; R100-E115 IonicContact NE-OE1 3.45Å; R100-E115 IonicContact NH1-OE1 3.69Å; R100-E115 PolarHBondContact NH1-OE1 2.86Å; R100-E115 IonicContact NH2-OE1 3.63Å; R100-E115 PolarHBondContact NH2-OE1 2.92Å
101P92.8Very high91.3Very high73 Ų7370.7 Ų70.747%0.47436%0.364SS..Hα-helixtrans-64.9-16.1-178.126.1-35.8000114D97 E104D97-P101 WeakPolarHBondContact O-CD 3.14Å; P101-E104 WeakPolarHBondContact CA-OE1 3.26Å
102Q91Very high91.7Very high85 Ų8566.7 Ų66.740%0.39734%0.344SS..Hα-helixtrans-85-16.8177.9-52.4-175.2-56.900113.1V99 R100V99-Q102 WeakPolarHBondContact O-CB 3.18Å; V99-Q102 PolarHBondContact O-N 3.23Å; R100-Q102 PolarHBondContact O-N 3.36Å; R100-Q102 VanDerWaalsContact O-N 3.12Å
103I92.5Very high91.8Very high0 Ų067.5 Ų67.50%036%0.36CS..Hα-helixtrans-123-8.1-174.960.9175000113.7F79 M82 L83 L86 W96 V99 R100 D105 Q106 F109F79-I103 HydrophobicContact CE2-CD1 4.27Å; F79-I103 HydrophobicContact CZ-CD1 3.92Å; M82-I103 HydrophobicContact CE-CB 3.67Å; M82-I103 HydrophobicContact CE-CD1 3.7Å; M82-I103 HydrophobicContact CE-CG1 4.17Å; M82-I103 HydrophobicContact CE-CG2 3.99Å; M82-I103 HydrophobicContact CG-CG2 4.22Å; M82-I103 HydrophobicContact SD-CB 3.93Å; M82-I103 HydrophobicContact SD-CG2 4.15Å; L83-I103 HydrophobicContact CD2-CD1 3.88Å; L86-I103 HydrophobicContact CD1-CG2 3.41Å; L86-I103 VanDerWaalsContact CD1-CG2 3.41Å; L86-I103 HydrophobicContact CD2-CG2 4.31Å; L86-I103 HydrophobicContact CG-CG2 4.15Å; W96-I103 HydrophobicContact CH2-CD1 4.03Å; W96-I103 HydrophobicContact CZ3-CD1 3.91Å; V99-I103 HydrophobicContact CG1-CD1 4.22Å; V99-I103 PolarHBondContact O-N 3.25Å; R100-I103 WeakPolarHBondContact O-CG1 3.48Å; R100-I103 PolarHBondContact O-N 2.91Å; R100-I103 VanDerWaalsContact O-N 3.09Å; I103-D105 PolarHBondContact O-N 3.48Å; I103-Q106 HydrophobicContact CB-CG 4.39Å; I103-Q106 WeakPolarHBondContact O-CB 3.41Å; I103-Q106 WeakPolarHBondContact O-CG 3.48Å; I103-Q106 PolarHBondContact O-N 3.25Å; I103-F109 HydrophobicContact CB-CD2 4.47Å; I103-F109 HydrophobicContact CD1-CD2 3.86Å; I103-F109 HydrophobicContact CD1-CE2 4.41Å; I103-F109 HydrophobicContact CG1-CD2 3.71Å; I103-F109 HydrophobicContact CG1-CE2 4.21Å; I103-F109 WeakPolarHBondContact O-CB 3.41Å; I103-F109 WeakPolarHBondContact O-CG 3.27Å
104E92.9Very high92Very high99 Ų9964.5 Ų64.546%0.46335%0.349SS..THydrogen-bonded Turntrans-61.8-29.1-174.962.7172.182.500113.8R100 P101 Q106 F109 K110R100-E104 PolarHBondContact O-N 3.32Å; P101-E104 WeakPolarHBondContact CA-OE1 3.26Å; E104-Q106 VanDerWaalsContact C-N 3.3Å; E104-F109 HydrophobicContact CB-CD1 4.36Å; E104-F109 HydrophobicContact CB-CE1 4.01Å; E104-F109 HydrophobicContact CB-CZ 4.09Å; E104-F109 WeakPolarHBondContact O-CD1 3.34Å; E104-K110 WeakPolarHBondContact O-CE 3.39Å
105D92.8Very high92.2Very high96 Ų9667 Ų6751%0.51336%0.358SS..THydrogen-bonded Turntrans-78.2-18.2177.570.8-67.2000112.5I103 K110I103-D105 PolarHBondContact O-N 3.48Å; D105-K110 PolarHBondContact O-NZ 2.95Å
106Q92.8Very high92.2Very high80 Ų8071 Ų7137%0.37437%0.373SS..SBendtrans-74.5146.4-172.1-58-64.5-34.300112.8M82 I103 E104 F109 K110M82-Q106 HydrophobicContact CG-CB 4.43Å; M82-Q106 HydrophobicContact CG-CG 4.45Å; M82-Q106 HydrophobicContact SD-CB 3.3Å; M82-Q106 WeakPolarHBondContact SD-CB 3.47Å; M82-Q106 HydrophobicContact SD-CG 3.8Å; I103-Q106 HydrophobicContact CB-CG 4.39Å; I103-Q106 WeakPolarHBondContact O-CB 3.41Å; I103-Q106 WeakPolarHBondContact O-CG 3.48Å; I103-Q106 PolarHBondContact O-N 3.25Å; E104-Q106 VanDerWaalsContact C-N 3.3Å; Q106-F109 WeakPolarHBondContact O-CB 3.42Å; Q106-F109 PolarHBondContact O-N 3.02Å; Q106-K110 PolarHBondContact O-N 3.34Å
107S93.7Very high92.3Very high78 Ų7871.2 Ų71.255%0.54537%0.374SS..Hα-helixtrans-60.4-45.1179.3175.40000113.5F109 K110 Q111S107-F109 VanDerWaalsContact C-N 3.28Å; S107-F109 PolarHBondContact O-N 2.97Å; S107-K110 PolarHBondContact O-N 3.42Å; S107-K110 VanDerWaalsContact O-N 3.16Å; S107-Q111 WeakPolarHBondContact O-CG 3.49Å; S107-Q111 PolarHBondContact O-N 3.42Å; S107-Q111 VanDerWaalsContact O-N 3.11Å
108P93.6Very high92.4Very high26 Ų2667 Ų6717%0.16935%0.35CS..Hα-helixtrans-61.2-33.4177.9-24.135.7000113.9A78 M82 Q111A78-P108 HydrophobicContact CB-CB 3.99Å; A78-P108 HydrophobicContact CB-CG 4.27Å; M82-P108 HydrophobicContact CB-CB 4.21Å; M82-P108 HydrophobicContact CB-CG 4.2Å; M82-P108 HydrophobicContact CE-CB 4.32Å; M82-P108 HydrophobicContact SD-CB 3.84Å; M82-P108 HydrophobicContact SD-CG 4.05Å; P108-Q111 PolarHBondContact O-N 2.84Å
109F93.7Very high92.6Very high12 Ų1263.4 Ų63.45%0.05334%0.335CS..Hα-helixtrans-61.9-44.8174.3179.4-87.5000112F79 M82 W96 R100 I103 E104 Q106 S107 Q111 V112 R118F79-F109 HydrophobicContact CE2-CB 4.36Å; F79-F109 AromaticContact CE2-CD2 3.87Å; F79-F109 HydrophobicContact CE2-CD2 3.87Å; F79-F109 HydrophobicContact CE2-CG 4.45Å; F79-F109 HydrophobicContact CZ-CD2 4.49Å; M82-F109 HydrophobicContact CE-CB 4.11Å; M82-F109 HydrophobicContact SD-CB 4.41Å; W96-F109 HydrophobicContact CH2-CD2 4.3Å; W96-F109 AromaticContact CH2-CE2 3.75Å; W96-F109 HydrophobicContact CH2-CE2 3.75Å; W96-F109 AromaticContact CZ2-CE2 3.92Å; W96-F109 HydrophobicContact CZ2-CE2 3.92Å; R100-F109 HydrophobicContact CG-CE2 4.28Å; R100-F109 HydrophobicContact CG-CZ 4.39Å; I103-F109 HydrophobicContact CB-CD2 4.47Å; I103-F109 HydrophobicContact CD1-CD2 3.86Å; I103-F109 HydrophobicContact CD1-CE2 4.41Å; I103-F109 HydrophobicContact CG1-CD2 3.71Å; I103-F109 HydrophobicContact CG1-CE2 4.21Å; I103-F109 WeakPolarHBondContact O-CB 3.41Å; I103-F109 WeakPolarHBondContact O-CG 3.27Å; E104-F109 HydrophobicContact CB-CD1 4.36Å; E104-F109 HydrophobicContact CB-CE1 4.01Å; E104-F109 HydrophobicContact CB-CZ 4.09Å; E104-F109 WeakPolarHBondContact O-CD1 3.34Å; Q106-F109 WeakPolarHBondContact O-CB 3.42Å; Q106-F109 PolarHBondContact O-N 3.02Å; S107-F109 VanDerWaalsContact C-N 3.28Å; S107-F109 PolarHBondContact O-N 2.97Å; F109-Q111 VanDerWaalsContact C-N 3.31Å; F109-Q111 PolarHBondContact O-N 3.17Å; F109-V112 PolarHBondContact O-N 3.48Å; F109-R118 PolarHBondContact O-NE 3.44Å
110K93.2Very high92.8Very high134 Ų13468.5 Ų68.558%0.58336%0.359SS*.Hα-helixtrans-70.7-25.2-179.4-66.5169.1179.1160.90113.1E104 D105 Q106 S107 V112E104-K110 WeakPolarHBondContact O-CE 3.39Å; D105-K110 PolarHBondContact O-NZ 2.95Å; Q106-K110 PolarHBondContact O-N 3.34Å; S107-K110 PolarHBondContact O-N 3.42Å; S107-K110 VanDerWaalsContact O-N 3.16Å; K110-V112 VanDerWaalsContact C-N 3.32Å
111Q92.9Very high93Very high101 Ų10164.4 Ų64.447%0.47234%0.344SS..Hα-helixtrans-71.6-27177.2-75.6-177.782.300113.1A75 S107 P108 F109 G113A75-Q111 HydrophobicContact CB-CB 4.05Å; S107-Q111 WeakPolarHBondContact O-CG 3.49Å; S107-Q111 PolarHBondContact O-N 3.42Å; S107-Q111 VanDerWaalsContact O-N 3.11Å; P108-Q111 PolarHBondContact O-N 2.84Å; F109-Q111 VanDerWaalsContact C-N 3.31Å; F109-Q111 PolarHBondContact O-N 3.17Å; Q111-G113 PolarHBondContact O-N 3.46Å
112V92.7Very high93.1Very high1 Ų161.3 Ų61.31%0.00632%0.323CS..SBendtrans-83.3107.1170.4-178.20000107.5A75 F79 F109 K110 E117 R118 L121A75-V112 HydrophobicContact CB-CG2 4.44Å; F79-V112 HydrophobicContact CB-CG2 4.15Å; F79-V112 HydrophobicContact CD2-CB 4.45Å; F79-V112 HydrophobicContact CD2-CG2 3.82Å; F79-V112 HydrophobicContact CG-CG2 4.21Å; F109-V112 PolarHBondContact O-N 3.48Å; K110-V112 VanDerWaalsContact C-N 3.32Å; V112-E117 HydrophobicContact CG1-CB 3.72Å; V112-E117 HydrophobicContact CG1-CG 3.72Å; V112-R118 HydrophobicContact CB-CG 3.87Å; V112-R118 HydrophobicContact CG1-CB 4.46Å; V112-R118 HydrophobicContact CG1-CG 3.54Å; V112-R118 VanDerWaalsContact O-CZ 3.24Å; V112-R118 PolarHBondContact O-NE 3.01Å; V112-R118 PolarHBondContact O-NH2 2.91Å; V112-L121 HydrophobicContact CG1-CD1 4.2Å; V112-L121 HydrophobicContact CG2-CD1 3.83Å
113G86.3Confident93.2Very high63 Ų6362.9 Ų62.965%0.64933%0.331SS*.  trans-71.3-36-170.100000114.3Q111Q111-G113 PolarHBondContact O-N 3.46Å
114S91.3Very high93.3Very high62 Ų6268.6 Ų68.643%0.43436%0.357SS..  trans-97.7131.4-173.8-57.50000111.8E116 E117 R118S114-E116 VanDerWaalsContact C-N 3.26Å; S114-E116 PolarHBondContact O-N 3.07Å; S114-E117 PolarHBondContact O-N 3.34Å; S114-E117 VanDerWaalsContact O-N 3.1Å; S114-R118 WeakPolarHBondContact O-CG 3.46Å; S114-R118 PolarHBondContact O-N 2.87Å; S114-R118 VanDerWaalsContact O-N 3.15Å
115E91.7Very high93.3Very high71 Ų7165 Ų6533%0.33234%0.339SS..Hα-helixtrans-54.8-43.8174.1-167.988.7163.700111.4R100 E117 R118 V119R100-E115 IonicContact CZ-OE1 2.99Å; R100-E115 VanDerWaalsContact CZ-OE1 3.26Å; R100-E115 IonicContact NE-OE1 3.45Å; R100-E115 IonicContact NH1-OE1 3.69Å; R100-E115 PolarHBondContact NH1-OE1 2.86Å; R100-E115 IonicContact NH2-OE1 3.63Å; R100-E115 PolarHBondContact NH2-OE1 2.92Å; E115-E117 VanDerWaalsContact C-N 3.27Å; E115-E117 PolarHBondContact O-N 2.69Å; E115-R118 WeakPolarHBondContact O-CB 3.29Å; E115-R118 PolarHBondContact O-N 3.41Å; E115-R118 VanDerWaalsContact O-N 3.11Å; E115-R118 IonicContact OE2-NH1 3.17Å; E115-R118 PolarHBondContact OE2-NH1 3.31Å; E115-V119 WeakPolarHBondContact O-CG2 3.4Å; E115-V119 PolarHBondContact O-N 2.9Å
116E93.5Very high93.2Very high152 Ų15261 Ų6171%0.7132%0.319SS*.Hα-helixtrans-57.1-39.7177.8-63.2169.290.400112.4S114 Q120S114-E116 VanDerWaalsContact C-N 3.26Å; S114-E116 PolarHBondContact O-N 3.07Å; E116-Q120 VanDerWaalsContact O-CG 3.27Å; E116-Q120 WeakPolarHBondContact O-CG 3.47Å; E116-Q120 PolarHBondContact O-N 3.39Å
117E93.9Very high93.1Very high30 Ų3062.4 Ų62.414%0.1433%0.325CS..Hα-helixtrans-71.7-36.1179.2-170.4169.210700111.2R72 V112 S114 E115 Q120 L121R72-E117 IonicContact CZ-OE2 3.56Å; R72-E117 IonicContact NE-OE2 3.39Å; R72-E117 PolarHBondContact NE-OE2 3.38Å; R72-E117 IonicContact NH1-OE2 3.26Å; R72-E117 IonicContact NH2-OE2 3.48Å; R72-E117 PolarHBondContact NH2-OE2 2.93Å; V112-E117 HydrophobicContact CG1-CB 3.72Å; V112-E117 HydrophobicContact CG1-CG 3.72Å; S114-E117 PolarHBondContact O-N 3.34Å; S114-E117 VanDerWaalsContact O-N 3.1Å; E115-E117 VanDerWaalsContact C-N 3.27Å; E115-E117 PolarHBondContact O-N 2.69Å; E117-Q120 PolarHBondContact O-N 2.89Å; E117-L121 HydrophobicContact CG-CD1 4.35Å; E117-L121 WeakPolarHBondContact O-CB 3.29Å; E117-L121 VanDerWaalsContact O-CG 3.26Å; E117-L121 WeakPolarHBondContact O-CG 3.47Å; E117-L121 PolarHBondContact O-N 3.05Å
118R94.8Very high93Very high35 Ų3561 Ų6113%0.13232%0.318CS..Hα-helixtrans-62.4-46.4174.7-61.8172-174.8149.71.2111.4F79 W96 F109 V112 S114 E115 L121 F122F79-R118 HydrophobicContact CE2-CB 4.17Å; F79-R118 HydrophobicContact CE2-CG 4.07Å; F79-R118 HydrophobicContact CZ-CB 4.01Å; F79-R118 HydrophobicContact CZ-CG 4.42Å; W96-R118 HydrophobicContact CH2-CB 3.74Å; W96-R118 HydrophobicContact CZ2-CB 3.78Å; F109-R118 PolarHBondContact O-NE 3.44Å; V112-R118 HydrophobicContact CB-CG 3.87Å; V112-R118 HydrophobicContact CG1-CB 4.46Å; V112-R118 HydrophobicContact CG1-CG 3.54Å; V112-R118 VanDerWaalsContact O-CZ 3.24Å; V112-R118 PolarHBondContact O-NE 3.01Å; V112-R118 PolarHBondContact O-NH2 2.91Å; S114-R118 WeakPolarHBondContact O-CG 3.46Å; S114-R118 PolarHBondContact O-N 2.87Å; S114-R118 VanDerWaalsContact O-N 3.15Å; E115-R118 WeakPolarHBondContact O-CB 3.29Å; E115-R118 PolarHBondContact O-N 3.41Å; E115-R118 VanDerWaalsContact O-N 3.11Å; E115-R118 IonicContact OE2-NH1 3.17Å; E115-R118 PolarHBondContact OE2-NH1 3.31Å; R118-L121 PolarHBondContact O-N 2.63Å; R118-F122 WeakPolarHBondContact O-CB 3.4Å; R118-F122 PolarHBondContact O-N 3.3Å
119V95.4Very high92.7Very high39 Ų3961.9 Ų61.924%0.23632%0.321CS..Hα-helixtrans-61.5-47.2177.1176.80000110.3W96 E115 L121 F122 E123W96-V119 HydrophobicContact CD2-CG2 4.13Å; W96-V119 HydrophobicContact CG-CG2 4.02Å; W96-V119 HydrophobicContact CZ2-CG2 4.5Å; E115-V119 WeakPolarHBondContact O-CG2 3.4Å; E115-V119 PolarHBondContact O-N 2.9Å; V119-L121 PolarHBondContact O-N 3.07Å; V119-F122 WeakPolarHBondContact O-CB 3.29Å; V119-F122 PolarHBondContact O-N 3.42Å; V119-F122 VanDerWaalsContact O-N 3.17Å; V119-E123 HydrophobicContact CG1-CG 4.3Å; V119-E123 WeakPolarHBondContact O-CG 3.41Å; V119-E123 PolarHBondContact O-N 2.97Å
120Q95.4Very high92.4Very high107 Ų10765.3 Ų65.350%0.534%0.337SS..Hα-helixtrans-59.5-43.6178.1-75.4175.67.200112.6E116 E117 F122 E123 Q124E116-Q120 VanDerWaalsContact O-CG 3.27Å; E116-Q120 WeakPolarHBondContact O-CG 3.47Å; E116-Q120 PolarHBondContact O-N 3.39Å; E117-Q120 PolarHBondContact O-N 2.89Å; Q120-F122 VanDerWaalsContact C-N 3.32Å; Q120-F122 PolarHBondContact O-N 3.23Å; Q120-E123 PolarHBondContact O-N 3.23Å; Q120-Q124 WeakPolarHBondContact O-CB 3.48Å; Q120-Q124 VanDerWaalsContact O-CG 3.29Å; Q120-Q124 WeakPolarHBondContact O-CG 3.5Å; Q120-Q124 PolarHBondContact O-N 3.21Å
121L95.2Very high92.1Very high8 Ų865.5 Ų65.54%0.04234%0.341CS..Hα-helixtrans-63.7-39.1176.9-72.7168.2000112E76 F79 V112 E117 R118 V119 Y125E76-L121 HydrophobicContact CB-CD1 4.29Å; E76-L121 HydrophobicContact CB-CD2 3.75Å; E76-L121 HydrophobicContact CG-CD1 4.05Å; E76-L121 HydrophobicContact CG-CD2 3.81Å; E76-L121 HydrophobicContact CG-CG 4.46Å; F79-L121 HydrophobicContact CB-CD1 4.16Å; F79-L121 HydrophobicContact CD1-CB 3.69Å; F79-L121 HydrophobicContact CD1-CD1 3.97Å; F79-L121 HydrophobicContact CD1-CG 4.47Å; F79-L121 HydrophobicContact CE1-CB 3.81Å; F79-L121 HydrophobicContact CG-CD1 4.02Å; V112-L121 HydrophobicContact CG1-CD1 4.2Å; V112-L121 HydrophobicContact CG2-CD1 3.83Å; E117-L121 HydrophobicContact CG-CD1 4.35Å; E117-L121 WeakPolarHBondContact O-CB 3.29Å; E117-L121 VanDerWaalsContact O-CG 3.26Å; E117-L121 WeakPolarHBondContact O-CG 3.47Å; E117-L121 PolarHBondContact O-N 3.05Å; R118-L121 PolarHBondContact O-N 2.63Å; V119-L121 PolarHBondContact O-N 3.07Å; L121-Y125 WeakPolarHBondContact O-CB 3.44Å; L121-Y125 PolarHBondContact O-N 3.49Å
122F94.8Very high91.6Very high9 Ų964.9 Ų64.94%0.03935%0.353CS..Hα-helixtrans-63.4-49.7173.9170.9-102.1000112.1L83 V90 S94 W96 V99 R118 V119 Q120 Q124 Y125 V126L83-F122 HydrophobicContact CD1-CB 4.43Å; L83-F122 HydrophobicContact CD1-CD2 4.27Å; L83-F122 HydrophobicContact CD2-CD2 4.19Å; V90-F122 HydrophobicContact CG1-CE2 3.98Å; S94-F122 WeakPolarHBondContact O-CZ 3.46Å; W96-F122 HydrophobicContact CB-CD1 3.91Å; W96-F122 HydrophobicContact CB-CE1 3.96Å; W96-F122 HydrophobicContact CD2-CD1 4.49Å; W96-F122 HydrophobicContact CD2-CG 4.5Å; W96-F122 HydrophobicContact CE3-CB 3.51Å; W96-F122 AromaticContact CE3-CD1 3.85Å; W96-F122 HydrophobicContact CE3-CD1 3.85Å; W96-F122 AromaticContact CE3-CD2 3.97Å; W96-F122 HydrophobicContact CE3-CD2 3.97Å; W96-F122 AromaticContact CE3-CG 3.48Å; W96-F122 HydrophobicContact CE3-CG 3.48Å; W96-F122 VanDerWaalsContact CE3-CG 3.48Å; W96-F122 HydrophobicContact CZ3-CB 3.7Å; W96-F122 HydrophobicContact CZ3-CD2 4.35Å; W96-F122 HydrophobicContact CZ3-CG 4.05Å; W96-F122 VanDerWaalsContact N-CE1 3.35Å; V99-F122 HydrophobicContact CB-CD2 4.47Å; V99-F122 HydrophobicContact CB-CE2 3.92Å; V99-F122 HydrophobicContact CB-CZ 4.49Å; V99-F122 HydrophobicContact CG1-CD2 4.33Å; V99-F122 HydrophobicContact CG1-CE2 4.11Å; V99-F122 HydrophobicContact CG2-CE2 3.73Å; V99-F122 HydrophobicContact CG2-CZ 4.12Å; R118-F122 WeakPolarHBondContact O-CB 3.4Å; R118-F122 PolarHBondContact O-N 3.3Å; V119-F122 WeakPolarHBondContact O-CB 3.29Å; V119-F122 PolarHBondContact O-N 3.42Å; V119-F122 VanDerWaalsContact O-N 3.17Å; Q120-F122 VanDerWaalsContact C-N 3.32Å; Q120-F122 PolarHBondContact O-N 3.23Å; F122-Q124 VanDerWaalsContact C-N 3.31Å; F122-Q124 PolarHBondContact O-N 3.38Å; F122-Y125 WeakPolarHBondContact O-CB 3.44Å; F122-Y125 PolarHBondContact O-N 3.42Å; F122-V126 HydrophobicContact CD1-CG2 4.37Å; F122-V126 HydrophobicContact CD2-CG2 4.15Å; F122-V126 HydrophobicContact CE1-CG2 3.87Å; F122-V126 HydrophobicContact CE2-CG2 3.61Å; F122-V126 HydrophobicContact CZ-CG2 3.47Å; F122-V126 VanDerWaalsContact CZ-CG2 3.47Å; F122-V126 WeakPolarHBondContact O-CG2 3.36Å; F122-V126 PolarHBondContact O-N 2.96Å
123E94.1Very high90.7Very high118 Ų11868.4 Ų68.455%0.55138%0.377SS*.Hα-helixtrans-59.3-42.1178-71.3-177.4138.700111.8V119 Q120 Y125 V126 Q127V119-E123 HydrophobicContact CG1-CG 4.3Å; V119-E123 WeakPolarHBondContact O-CG 3.41Å; V119-E123 PolarHBondContact O-N 2.97Å; Q120-E123 PolarHBondContact O-N 3.23Å; E123-Y125 VanDerWaalsContact C-N 3.31Å; E123-Y125 PolarHBondContact O-N 2.84Å; E123-V126 PolarHBondContact O-N 3.29Å; E123-Q127 VanDerWaalsContact O-CB 3.29Å; E123-Q127 WeakPolarHBondContact O-CB 3.29Å; E123-Q127 PolarHBondContact O-N 2.95Å
124Q94Very high89.6Confident119 Ų11968.2 Ų68.256%0.55637%0.374SS*.Hα-helixtrans-61.3-40.4174.2-77-177.4-21.500112Q120 F122 A128Q120-Q124 WeakPolarHBondContact O-CB 3.48Å; Q120-Q124 VanDerWaalsContact O-CG 3.29Å; Q120-Q124 WeakPolarHBondContact O-CG 3.5Å; Q120-Q124 PolarHBondContact O-N 3.21Å; F122-Q124 VanDerWaalsContact C-N 3.31Å; F122-Q124 PolarHBondContact O-N 3.38Å; Q124-A128 WeakPolarHBondContact O-CB 3.38Å; Q124-A128 PolarHBondContact O-N 2.82Å
125Y93.3Very high87.8Confident23 Ų2370.9 Ų70.99%0.0938%0.38CS..Hα-helixtrans-67.2-45.5177.4179.7-107.3000112.1T80 L83 R84 V90 L121 F122 E123 Q127 A128 L129T80-Y125 HydrophobicContact CG2-CD2 3.85Å; T80-Y125 HydrophobicContact CG2-CE2 4.47Å; L83-Y125 HydrophobicContact CB-CD1 3.65Å; L83-Y125 HydrophobicContact CB-CD2 4.46Å; L83-Y125 HydrophobicContact CB-CE1 3.74Å; L83-Y125 HydrophobicContact CB-CG 4.03Å; L83-Y125 HydrophobicContact CD1-CD1 3.78Å; L83-Y125 HydrophobicContact CD1-CG 3.8Å; L83-Y125 HydrophobicContact CG-CD1 4.32Å; R84-Y125 VanDerWaalsContact CA-OH 3.29Å; R84-Y125 WeakPolarHBondContact CA-OH 3.46Å; R84-Y125 HydrophobicContact CB-CE2 4.21Å; V90-Y125 HydrophobicContact CB-CE1 4.09Å; V90-Y125 HydrophobicContact CG1-CD1 3.84Å; V90-Y125 HydrophobicContact CG1-CE1 3.63Å; L121-Y125 WeakPolarHBondContact O-CB 3.44Å; L121-Y125 PolarHBondContact O-N 3.49Å; F122-Y125 WeakPolarHBondContact O-CB 3.44Å; F122-Y125 PolarHBondContact O-N 3.42Å; E123-Y125 VanDerWaalsContact C-N 3.31Å; E123-Y125 PolarHBondContact O-N 2.84Å; Y125-Q127 VanDerWaalsContact C-N 3.35Å; Y125-Q127 PolarHBondContact O-N 3.05Å; Y125-A128 WeakPolarHBondContact O-CB 3.4Å; Y125-A128 PolarHBondContact O-N 3.07Å; Y125-L129 HydrophobicContact CD1-CD1 4.06Å; Y125-L129 HydrophobicContact CD1-CG 4.49Å; Y125-L129 HydrophobicContact CE1-CD1 3.5Å; Y125-L129 HydrophobicContact CE1-CG 4.04Å; Y125-L129 HydrophobicContact CE2-CG 4.44Å; Y125-L129 WeakPolarHBondContact O-CG 3.36Å; Y125-L129 PolarHBondContact O-N 2.97Å
126V91.7Very high85.8Confident13 Ų1375 Ų758%0.07940%0.399CS..Hα-helixtrans-62-42.6175.9172.90000111V90 P92 F122 E123 A128 L129 Q130V90-V126 HydrophobicContact CG1-CG2 4.35Å; P92-V126 WeakPolarHBondContact O-CG1 3.4Å; F122-V126 HydrophobicContact CD1-CG2 4.37Å; F122-V126 HydrophobicContact CD2-CG2 4.15Å; F122-V126 HydrophobicContact CE1-CG2 3.87Å; F122-V126 HydrophobicContact CE2-CG2 3.61Å; F122-V126 HydrophobicContact CZ-CG2 3.47Å; F122-V126 VanDerWaalsContact CZ-CG2 3.47Å; F122-V126 WeakPolarHBondContact O-CG2 3.36Å; F122-V126 PolarHBondContact O-N 2.96Å; E123-V126 PolarHBondContact O-N 3.29Å; V126-A128 VanDerWaalsContact C-N 3.35Å; V126-A128 PolarHBondContact O-N 3.19Å; V126-L129 WeakPolarHBondContact O-CB 3.22Å; V126-L129 PolarHBondContact O-N 3.47Å; V126-Q130 WeakPolarHBondContact O-CG 3.43Å; V126-Q130 PolarHBondContact O-N 2.96Å
127Q90.8Very high83.8Confident110 Ų11075 Ų7551%0.51440%0.398SS..Hα-helixtrans-58.9-46173.6179.7172.450.300111.3E123 Y125 L129 Q130 E131E123-Q127 VanDerWaalsContact O-CB 3.29Å; E123-Q127 WeakPolarHBondContact O-CB 3.29Å; E123-Q127 PolarHBondContact O-N 2.95Å; Y125-Q127 VanDerWaalsContact C-N 3.35Å; Y125-Q127 PolarHBondContact O-N 3.05Å; Q127-L129 VanDerWaalsContact C-N 3.29Å; Q127-L129 PolarHBondContact O-N 3.49Å; Q127-Q130 WeakPolarHBondContact O-CB 3.21Å; Q127-Q130 PolarHBondContact O-N 3.41Å; Q127-Q130 VanDerWaalsContact O-N 3.14Å; Q127-E131 WeakPolarHBondContact O-CG 3.41Å; Q127-E131 PolarHBondContact O-N 3.35Å
128A90.1Very high81.6Confident48 Ų4881.6 Ų81.640%0.39743%0.429SS..Hα-helixtrans-62.8-34.5177.200000112.6Q124 Y125 V126 A132Q124-A128 WeakPolarHBondContact O-CB 3.38Å; Q124-A128 PolarHBondContact O-N 2.82Å; Y125-A128 WeakPolarHBondContact O-CB 3.4Å; Y125-A128 PolarHBondContact O-N 3.07Å; V126-A128 VanDerWaalsContact C-N 3.35Å; V126-A128 PolarHBondContact O-N 3.19Å; A128-A132 VanDerWaalsContact O-CB 3.25Å; A128-A132 WeakPolarHBondContact O-CB 3.24Å; A128-A132 PolarHBondContact O-N 2.97Å
129L88.9Confident79.5Confident45 Ų4582.9 Ų82.924%0.23645%0.453CS..Hα-helixtrans-65.6-43172.6-72.4177.1000112V90 P92 Y125 V126 Q127 E131 A132 C133V90-L129 HydrophobicContact CG1-CD1 4.18Å; P92-L129 HydrophobicContact CG-CB 4.4Å; Y125-L129 HydrophobicContact CD1-CD1 4.06Å; Y125-L129 HydrophobicContact CD1-CG 4.49Å; Y125-L129 HydrophobicContact CE1-CD1 3.5Å; Y125-L129 HydrophobicContact CE1-CG 4.04Å; Y125-L129 HydrophobicContact CE2-CG 4.44Å; Y125-L129 WeakPolarHBondContact O-CG 3.36Å; Y125-L129 PolarHBondContact O-N 2.97Å; V126-L129 WeakPolarHBondContact O-CB 3.22Å; V126-L129 PolarHBondContact O-N 3.47Å; Q127-L129 VanDerWaalsContact C-N 3.29Å; Q127-L129 PolarHBondContact O-N 3.49Å; L129-E131 VanDerWaalsContact C-N 3.35Å; L129-A132 PolarHBondContact O-N 3.14Å; L129-C133 WeakPolarHBondContact O-CB 3.41Å; L129-C133 PolarHBondContact O-N 3.02Å
130Q86.9Confident77.4Confident83 Ų8388 Ų8839%0.38847%0.474SS..Hα-helixtrans-60.5-44.8176-70.81711.100111.3P92 V126 Q127P92-Q130 HydrophobicContact CB-CG 3.66Å; P92-Q130 PolarHBondContact O-NE2 3.12Å; V126-Q130 WeakPolarHBondContact O-CG 3.43Å; V126-Q130 PolarHBondContact O-N 2.96Å; Q127-Q130 WeakPolarHBondContact O-CB 3.21Å; Q127-Q130 PolarHBondContact O-N 3.41Å; Q127-Q130 VanDerWaalsContact O-N 3.14Å
131E86.6Confident74.9Confident139 Ų13988.5 Ų88.565%0.6549%0.489SS*.Hα-helixtrans-65.9-43.6177.9-68.9-179.4105.100112.1Q127 L129 C133 G134Q127-E131 WeakPolarHBondContact O-CG 3.41Å; Q127-E131 PolarHBondContact O-N 3.35Å; L129-E131 VanDerWaalsContact C-N 3.35Å; E131-C133 VanDerWaalsContact C-N 3.34Å; E131-C133 PolarHBondContact O-N 2.95Å; E131-G134 PolarHBondContact O-N 2.79Å
132A83.3Confident72.6Confident88 Ų8897.4 Ų97.473%0.72753%0.528SS*.Hα-helixtrans-68.1-30.6-179.900000113.5A128 L129 G134A128-A132 VanDerWaalsContact O-CB 3.25Å; A128-A132 WeakPolarHBondContact O-CB 3.24Å; A128-A132 PolarHBondContact O-N 2.97Å; L129-A132 PolarHBondContact O-N 3.14Å; A132-G134 PolarHBondContact O-N 3.5Å
133C72Confident70.1Confident75 Ų75105.2 Ų105.251%0.50756%0.562SS.*THydrogen-bonded Turntrans-69.6-7.2177.1-165.20000112.5L129 E131 H135L129-C133 WeakPolarHBondContact O-CB 3.41Å; L129-C133 PolarHBondContact O-N 3.02Å; E131-C133 VanDerWaalsContact C-N 3.34Å; E131-C133 PolarHBondContact O-N 2.95Å; C133-H135 PolarHBondContact O-N 2.94Å
134G63.4Low67.7Low58 Ų58109.6 Ų109.660%0.59858%0.579SS**THydrogen-bonded Turntrans658.4-17800000112.8E131 A132 H136E131-G134 PolarHBondContact O-N 2.79Å; A132-G134 PolarHBondContact O-N 3.5Å; G134-H136 PolarHBondContact O-N 3.19Å
135H55.1Low65.4Low119 Ų119115 Ų11555%0.55159%0.594SS**  trans-68.687.9166.8-84.7-140000106.4C133 H137C133-H135 PolarHBondContact O-N 2.94Å; H135-H137 AromaticContact ND1-NE2 3.85Å; H135-H137 PolarHBondContact O-N 3.47Å
136H48.7Very low63.2Low157 Ų157123.1 Ų123.173%0.72763%0.63SS**  trans-61.362.9168-128.596.9000108.7G134 H138G134-H136 PolarHBondContact O-N 3.19Å; H136-H138 AromaticContact CD2-CD2 3.15Å; H136-H138 PolarHBondContact CD2-CD2 3.45Å; H136-H138 AromaticContact CD2-CG 3.82Å; H136-H138 AromaticContact CD2-NE2 3.96Å; H136-H138 AromaticContact NE2-CD2 3.17Å; H136-H138 PolarHBondContact NE2-CD2 3.17Å; H136-H138 AromaticContact NE2-NE2 3.54Å; H136-H138 PolarHBondContact O-N 3.01Å
137H51.9Low61.1Low153 Ų153131 Ų13171%0.70866%0.663SS**  trans-72.862.1160.5-77.6-73.8000107.3H135 G139H135-H137 AromaticContact ND1-NE2 3.85Å; H135-H137 PolarHBondContact O-N 3.47Å; H137-G139 PolarHBondContact O-N 3.22Å
138H46.6Very low59.1Low168 Ų168132.4 Ų132.478%0.77867%0.67SS**  trans-63.580.9150.9-95.9-35.5000106.8H136H136-H138 AromaticContact CD2-CD2 3.15Å; H136-H138 PolarHBondContact CD2-CD2 3.45Å; H136-H138 AromaticContact CD2-CG 3.82Å; H136-H138 AromaticContact CD2-NE2 3.96Å; H136-H138 AromaticContact NE2-CD2 3.17Å; H136-H138 PolarHBondContact NE2-CD2 3.17Å; H136-H138 AromaticContact NE2-NE2 3.54Å; H136-H138 PolarHBondContact O-N 3.01Å
139G52Low57.2Low62 Ų62140.4 Ų140.464%0.63970%0.695SS**  trans-128.129-171.500000113.5H137H137-G139 PolarHBondContact O-N 3.22Å
140H50.1Low55.2Low145 Ų145146.7 Ų146.767%0.67172%0.721SS**  trans67.170.6140.8-141.2-84.6000117.8K142 K143H140-K142 PolarHBondContact O-N 2.79Å; H140-K143 PolarHBondContact CE1-O 2.82Å
141S43.1Very low53.4Low118 Ų118146.3 Ų146.383%0.82574%0.739SS**SBendtrans-59.7103.8146.8-171.80000109.3K143S141-K143 PolarHBondContact O-N 2.68Å
142K46.8Very low51.3Low195 Ų195151.2 Ų151.285%0.84875%0.752SS**  trans31.588.8152.6-64.6-179.6179169.80116.5H140H140-K142 PolarHBondContact O-N 2.79Å
143K41.9Very low49.9Very low174 Ų174156.8 Ų156.876%0.75776%0.759SS**  trans-145.6106.2154.6-128.6163-175.2170.40113.8H140 S141 R145H140-K143 PolarHBondContact CE1-O 2.82Å; S141-K143 PolarHBondContact O-N 2.68Å; K143-R145 PolarHBondContact O-N 3.17Å
144K45.2Very low48.7Very low209 Ų209162.6 Ų162.691%0.90978%0.776SS**  trans-1.4110.1159.5-74.6176.7171.3175.20116.1
145R45.9Very low48Very low232 Ų232164.4 Ų164.488%0.87579%0.785SS**  trans-127.481.5148.5-71.6-173.991.5-165.28.9110.5K143 K147K143-R145 PolarHBondContact O-N 3.17Å; R145-K147 PolarHBondContact O-N 3.15Å
146K46.7Very low47.6Very low195 Ų195169.4 Ų169.485%0.84880%0.799SS**  trans-56.1106.4151177.8-177.7-179.1-177.60107.6
147K47.2Very low47.6Very low179 Ų179170 Ų17078%0.77881%0.807SS**  trans-15674.2157.4-145.4170.6-177177.60111.3R145 K149R145-K147 PolarHBondContact O-N 3.15Å; K147-K149 PolarHBondContact O-N 3.3Å
148E49.8Very low47.2Very low138 Ų138166.5 Ų166.565%0.64581%0.813SS**  trans23.688.6130.4-152.7173.8112.200115.8K150E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 HydrophobicContact CG-CG 4.36Å; E148-K150 PolarHBondContact O-N 3.08Å; E148-K150 VanDerWaalsContact O-N 3.08Å; E148-K150 VanDerWaalsContact OE1-CE 3.24Å; E148-K150 WeakPolarHBondContact OE1-CE 3.25Å; E148-K150 IonicContact OE1-NZ 3.85Å
149K48.2Very low47Very low216 Ų216164.1 Ų164.194%0.93982%0.815SS**  trans-76.885.1162.4-84.2-175175.1175.70108.8K147K147-K149 PolarHBondContact O-N 3.3Å
150K47.1Very low46.8Very low178 Ų178168 Ų16877%0.77483%0.826SS**  trans-61.7135.3164-91178.6172.9171.90110.2E148E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 HydrophobicContact CG-CG 4.36Å; E148-K150 PolarHBondContact O-N 3.08Å; E148-K150 VanDerWaalsContact O-N 3.08Å; E148-K150 VanDerWaalsContact OE1-CE 3.24Å; E148-K150 WeakPolarHBondContact OE1-CE 3.25Å; E148-K150 IonicContact OE1-NZ 3.85Å
151G49.3Very low47Very low74 Ų74169.5 Ų169.576%0.76386%0.863SS**  trans97.946.5138.900000118.8K153G151-K153 PolarHBondContact O-N 3.28Å
152R43.9Very low47.2Very low243 Ų243172.1 Ų172.192%0.91787%0.865SS**  trans-82.188.1156.6-177.9174.3161.7177.2-5.7109
153K52.2Low47.2Very low205 Ų205170.9 Ų170.989%0.89187%0.866SS**  trans-126.385.3160.5-76.4-165.3174.5-173.90109.6G151 A155G151-K153 PolarHBondContact O-N 3.28Å; K153-A155 PolarHBondContact O-N 3.37Å
154K47Very low47.5Very low196 Ų196170.7 Ų170.785%0.85287%0.872SS**  trans-66.3108.4158.5-107.3177.4172.4178.10107.2
155A50.2Low47.6Very low96 Ų96168.5 Ų168.579%0.79387%0.87SS**  trans-12184.5156.800000105.1K153K153-A155 PolarHBondContact O-N 3.37Å
156R46.7Very low47.8Very low225 Ų225164.5 Ų164.585%0.84987%0.87SS**  45.189.794.8-85.4-169.5155.2-170.2-6.1113.1
157L48.3Very low47.8Very low168 Ų168162.5 Ų162.588%0.8887%0.871SS**  51.195.6128.2-58.3171.2000116.6
158G42.9Very low47.9Very low81 Ų81161.3 Ų161.384%0.83588%0.878SS**  trans-118.389.7152.600000108.2
159S42.7Very low47.7Very low118 Ų118163.1 Ų163.183%0.82590%0.896SS**  trans-85.5120.1164.4-169.30000106.4
160V48.5Very low47.7Very low144 Ų144158.7 Ų158.787%0.87389%0.892SS**  trans-140.2134.4160.7-87.60000107.2
161A53.4Low47.7Very low176 Ų176156.9 Ų156.9100%1.45590%0.903SS**  trans-64.40-167.400000114.2

Retrieved 161 of 161 residues in 153 ms (Link to these results)

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