A0A060X129_ONCMY Loading...

Rab7a interacting mon1-ccz1 complex subunit 1

AlphaFold DB , UniProt , Accession A0A060X129, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rimoc1, Length 277 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
1M45.7Very low60.2Low199 Ų199103.9 Ų103.998%0.9852%0.523SS*.  0-70.60-65.6-130.6-91.400112.6D4 C5M1-D4 PolarHBondContact N-OD2 2.76Å; M1-C5 PolarHBondContact O-N 3.02Å
2A41.9Very low62.5Low78 Ų7895.3 Ų95.365%0.64548%0.479SS*.Hα-helixtrans-70.2-31.5178.800000114.1
3D46.3Very low64.5Low92 Ų9294.2 Ų94.249%0.49247%0.471SS..Hα-helixtrans-78.6-33.2179.3-151.138.7000112.4R7D3-R7 WeakPolarHBondContact O-CG 3.5Å; D3-R7 PolarHBondContact O-N 3.44Å; D3-R7 VanDerWaalsContact O-N 3.15Å; D3-R7 IonicContact OD2-CZ 3.66Å; D3-R7 IonicContact OD2-NE 2.78Å; D3-R7 IonicContact OD2-NH2 2.93Å; D3-R7 PolarHBondContact OD2-NH2 3.39Å
4D53.8Low66.4Low86 Ų8696.5 Ų96.546%0.4647%0.472SS..Hα-helixtrans-70.5-42.2177.1-55.5-53.8000112M1 R6 R7 Q8M1-D4 PolarHBondContact N-OD2 2.76Å; D4-R6 VanDerWaalsContact C-N 3.27Å; D4-R6 PolarHBondContact O-N 2.72Å; D4-R7 PolarHBondContact O-N 3.15Å; D4-Q8 WeakPolarHBondContact O-CB 3.47Å; D4-Q8 VanDerWaalsContact O-CG 3.28Å; D4-Q8 WeakPolarHBondContact O-CG 3.46Å; D4-Q8 PolarHBondContact O-N 3.48Å
5C54.6Low68.3Low87 Ų8793.9 Ų93.959%0.58846%0.455SS*.Hα-helixtrans-62.9-34.6177.4-168.10000112M1 G9M1-C5 PolarHBondContact O-N 3.02Å; C5-G9 PolarHBondContact O-N 3.22Å
6R58.5Low69.9Low177 Ų17788.2 Ų88.267%0.66843%0.427SS*.Hα-helixtrans-68.9-46.1174-76-176.9-171.4-177.52.6111.5D4 Q8 G9 F10D4-R6 VanDerWaalsContact C-N 3.27Å; D4-R6 PolarHBondContact O-N 2.72Å; R6-Q8 VanDerWaalsContact C-N 3.33Å; R6-Q8 PolarHBondContact O-N 3.43Å; R6-G9 PolarHBondContact O-N 3.05Å; R6-F10 HydrophobicContact CB-CE2 4.39Å; R6-F10 WeakPolarHBondContact O-CD2 3.39Å; R6-F10 PolarHBondContact O-N 3.14Å
7R61.4Low71.2Confident161 Ų16190.4 Ų90.461%0.60843%0.434SS*.Hα-helixtrans-61.4-39.6178.8-71.7179.2-164-165.58112.8D3 D4 F10 E11D3-R7 WeakPolarHBondContact O-CG 3.5Å; D3-R7 PolarHBondContact O-N 3.44Å; D3-R7 VanDerWaalsContact O-N 3.15Å; D3-R7 IonicContact OD2-CZ 3.66Å; D3-R7 IonicContact OD2-NE 2.78Å; D3-R7 IonicContact OD2-NH2 2.93Å; D3-R7 PolarHBondContact OD2-NH2 3.39Å; D4-R7 PolarHBondContact O-N 3.15Å; R7-F10 PolarHBondContact O-N 3.44Å; R7-E11 PolarHBondContact O-N 3.5Å
8Q66.5Low72.5Confident59 Ų5989.6 Ų89.628%0.27643%0.43SS..Hα-helixtrans-63.2-41176.8-74.4175.2-17.600112.6D4 R6 E11 L12 L112D4-Q8 WeakPolarHBondContact O-CB 3.47Å; D4-Q8 VanDerWaalsContact O-CG 3.28Å; D4-Q8 WeakPolarHBondContact O-CG 3.46Å; D4-Q8 PolarHBondContact O-N 3.48Å; R6-Q8 VanDerWaalsContact C-N 3.33Å; R6-Q8 PolarHBondContact O-N 3.43Å; Q8-E11 PolarHBondContact O-N 3.22Å; Q8-L12 PolarHBondContact O-N 2.8Å; Q8-L112 HydrophobicContact CB-CD2 3.79Å; Q8-L112 HydrophobicContact CG-CD2 3.83Å; Q8-L112 PolarHBondContact NE2-O 2.98Å
9G69.2Low73.7Confident21 Ų2185.6 Ų85.622%0.21641%0.411CS..Hα-helixtrans-63.1-43175.100000113.1C5 R6 E11 E13 Y50C5-G9 PolarHBondContact O-N 3.22Å; R6-G9 PolarHBondContact O-N 3.05Å; G9-E11 VanDerWaalsContact C-N 3.34Å; G9-E11 PolarHBondContact O-N 2.88Å; G9-E13 WeakPolarHBondContact O-CB 3.46Å; G9-E13 PolarHBondContact O-N 3.29Å; G9-Y50 WeakPolarHBondContact O-CE1 3.47Å
10F77.7Confident74.8Confident135 Ų13582.7 Ų82.759%0.59240%0.398SS*.Hα-helixtrans-65.1-33.6178.8-75.7-64.6000113.5R6 R7 R14R6-F10 HydrophobicContact CB-CE2 4.39Å; R6-F10 WeakPolarHBondContact O-CD2 3.39Å; R6-F10 PolarHBondContact O-N 3.14Å; R7-F10 PolarHBondContact O-N 3.44Å; F10-R14 WeakPolarHBondContact O-CB 3.48Å; F10-R14 PolarHBondContact O-N 3.49Å; F10-R14 VanDerWaalsContact O-N 3.11Å
11E86.3Confident75.8Confident48 Ų4882.8 Ų82.822%0.22440%0.401CS..Hα-helixtrans-67.2-49.8178.2-174.5178.3166.700111.5R7 Q8 G9 R14 R15 L108 R111 L112R7-E11 PolarHBondContact O-N 3.5Å; Q8-E11 PolarHBondContact O-N 3.22Å; G9-E11 VanDerWaalsContact C-N 3.34Å; G9-E11 PolarHBondContact O-N 2.88Å; E11-R14 PolarHBondContact O-N 3.03Å; E11-R15 WeakPolarHBondContact O-CG 3.17Å; E11-R15 PolarHBondContact O-N 3.47Å; E11-R15 VanDerWaalsContact O-N 3.1Å; E11-L108 HydrophobicContact CG-CD1 4.12Å; E11-L108 WeakPolarHBondContact OE1-CD1 3.43Å; E11-R111 IonicContact OE1-CZ 3.47Å; E11-R111 IonicContact OE1-NE 2.68Å; E11-R111 PolarHBondContact OE1-NE 3.33Å; E11-R111 IonicContact OE1-NH2 3.09Å; E11-R111 PolarHBondContact OE1-NH2 3.16Å; E11-L112 HydrophobicContact CB-CD2 4.41Å
12L87.9Confident78.2Confident0 Ų075.3 Ų75.30%036%0.363CS..Hα-helixtrans-65.1-40.2179.717956.9000111.5Q8 R14 R15 I16 Y50 L59 L62 L63 Y66 L108 L112Q8-L12 PolarHBondContact O-N 2.8Å; L12-R14 VanDerWaalsContact C-N 3.35Å; L12-R14 PolarHBondContact O-N 3.27Å; L12-R15 PolarHBondContact O-N 3.46Å; L12-I16 HydrophobicContact CD1-CD1 4.16Å; L12-I16 HydrophobicContact CD1-CG1 4.32Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 WeakPolarHBondContact O-CD1 3.24Å; L12-I16 VanDerWaalsContact O-CG1 3.3Å; L12-I16 WeakPolarHBondContact O-CG1 3.49Å; L12-I16 PolarHBondContact O-N 3.32Å; L12-Y50 WeakPolarHBondContact CB-OH 3.44Å; L12-Y50 WeakPolarHBondContact CD2-OH 3.44Å; L12-Y50 WeakPolarHBondContact CG-OH 3.36Å; L12-L59 HydrophobicContact CD2-CD1 4.3Å; L12-L62 HydrophobicContact CD2-CB 4.06Å; L12-L63 HydrophobicContact CD1-CD2 4.3Å; L12-L63 HydrophobicContact CD2-CD2 4.47Å; L12-Y66 HydrophobicContact CD1-CD2 3.92Å; L12-Y66 HydrophobicContact CD1-CE2 4.43Å; L12-Y66 HydrophobicContact CD1-CG 3.98Å; L12-L108 HydrophobicContact CD1-CD2 3.75Å; L12-L112 HydrophobicContact CB-CD1 3.99Å; L12-L112 HydrophobicContact CD2-CD1 4.45Å
13E89.1Confident80.8Confident81 Ų8171.6 Ų71.638%0.37933%0.332SS..Hα-helixtrans-57.2-46.2174-175.4178.6-158.800112G9 R15 I16 F17 Y50G9-E13 WeakPolarHBondContact O-CB 3.46Å; G9-E13 PolarHBondContact O-N 3.29Å; E13-R15 VanDerWaalsContact C-N 3.33Å; E13-R15 PolarHBondContact O-N 3.39Å; E13-I16 PolarHBondContact O-N 3.22Å; E13-F17 PolarHBondContact O-N 3.22Å; E13-F17 VanDerWaalsContact O-N 3.08Å; E13-Y50 HydrophobicContact CB-CD1 4.06Å; E13-Y50 HydrophobicContact CB-CD2 4.4Å; E13-Y50 HydrophobicContact CB-CE1 4.02Å; E13-Y50 HydrophobicContact CB-CE2 4.38Å; E13-Y50 HydrophobicContact CB-CG 4.26Å; E13-Y50 HydrophobicContact CG-CD1 4.28Å; E13-Y50 HydrophobicContact CG-CD2 4.44Å; E13-Y50 HydrophobicContact CG-CG 4.14Å
14R91.3Very high83.2Confident127 Ų12769.6 Ų69.648%0.47933%0.328SS..Hα-helixtrans-59.4-44.4176-176.7-178.568.4107.9-8.2111.6F10 E11 L12 I16 F17 E18F10-R14 WeakPolarHBondContact O-CB 3.48Å; F10-R14 PolarHBondContact O-N 3.49Å; F10-R14 VanDerWaalsContact O-N 3.11Å; E11-R14 PolarHBondContact O-N 3.03Å; L12-R14 VanDerWaalsContact C-N 3.35Å; L12-R14 PolarHBondContact O-N 3.27Å; R14-I16 VanDerWaalsContact C-N 3.34Å; R14-I16 PolarHBondContact O-N 3.41Å; R14-F17 PolarHBondContact O-N 2.89Å; R14-E18 IonicContact CZ-OE1 2.72Å; R14-E18 IonicContact NE-OE1 3.97Å; R14-E18 IonicContact NH1-OE1 2.83Å; R14-E18 PolarHBondContact NH1-OE1 3.2Å; R14-E18 WeakPolarHBondContact O-CG 3.45Å; R14-E18 PolarHBondContact O-N 3.38Å
15R93.6Very high85.2Confident57 Ų5768.7 Ų68.722%0.21533%0.329CS..Hα-helixtrans-63.2-39.8178.5-69.9-52.9-158.8-171.91.3112.7E11 L12 E13 F17 E18 L19 Y66 E104 L108E11-R15 WeakPolarHBondContact O-CG 3.17Å; E11-R15 PolarHBondContact O-N 3.47Å; E11-R15 VanDerWaalsContact O-N 3.1Å; L12-R15 PolarHBondContact O-N 3.46Å; E13-R15 VanDerWaalsContact C-N 3.33Å; E13-R15 PolarHBondContact O-N 3.39Å; R15-F17 VanDerWaalsContact C-N 3.3Å; R15-F17 PolarHBondContact O-N 3.31Å; R15-E18 WeakPolarHBondContact CD-OE2 3.47Å; R15-E18 IonicContact CZ-OE2 2.64Å; R15-E18 IonicContact NH1-OE2 3.84Å; R15-E18 PolarHBondContact NH1-OE2 3.22Å; R15-E18 PolarHBondContact O-N 3.22Å; R15-L19 PolarHBondContact O-N 3.09Å; R15-Y66 HydrophobicContact CB-CE2 3.7Å; R15-E104 IonicContact CZ-OE1 3.01Å; R15-E104 IonicContact NE-OE1 2.71Å; R15-E104 PolarHBondContact NE-OE1 3.46Å; R15-E104 IonicContact NH2-OE1 3.16Å; R15-L108 HydrophobicContact CG-CD2 4.35Å
16I93.9Very high87.1Confident3 Ų365.2 Ų65.22%0.01530%0.304CS..Hα-helixtrans-60.4-43.6175.1-71.3159.3000110.2L12 E13 R14 L19 D20 L43 L46 K47 Y50 Y66L12-I16 HydrophobicContact CD1-CD1 4.16Å; L12-I16 HydrophobicContact CD1-CG1 4.32Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 WeakPolarHBondContact O-CD1 3.24Å; L12-I16 VanDerWaalsContact O-CG1 3.3Å; L12-I16 WeakPolarHBondContact O-CG1 3.49Å; L12-I16 PolarHBondContact O-N 3.32Å; E13-I16 PolarHBondContact O-N 3.22Å; R14-I16 VanDerWaalsContact C-N 3.34Å; R14-I16 PolarHBondContact O-N 3.41Å; I16-L19 PolarHBondContact O-N 3.46Å; I16-D20 WeakPolarHBondContact O-CB 3.17Å; I16-D20 PolarHBondContact O-N 2.88Å; I16-L43 HydrophobicContact CG2-CD2 3.93Å; I16-L46 HydrophobicContact CD1-CB 4.01Å; I16-L46 HydrophobicContact CD1-CD1 4.48Å; I16-L46 HydrophobicContact CD1-CD2 4.5Å; I16-L46 HydrophobicContact CG1-CB 4.4Å; I16-L46 HydrophobicContact CG1-CD1 4.32Å; I16-L46 HydrophobicContact CG2-CB 4.18Å; I16-K47 HydrophobicContact CG2-CG 3.83Å; I16-Y50 HydrophobicContact CD1-CD2 4.22Å; I16-Y50 HydrophobicContact CD1-CE2 3.57Å; I16-Y66 HydrophobicContact CG1-CD2 3.99Å
17F92.8Very high88.8Confident125 Ų12560.2 Ų60.255%0.54829%0.285SS..Hα-helixtrans-65.6-39.2177.7-171.1-99.1000112.9E13 R14 R15 D20 N21E13-F17 PolarHBondContact O-N 3.22Å; E13-F17 VanDerWaalsContact O-N 3.08Å; R14-F17 PolarHBondContact O-N 2.89Å; R15-F17 VanDerWaalsContact C-N 3.3Å; R15-F17 PolarHBondContact O-N 3.31Å; F17-D20 PolarHBondContact O-N 3.48Å; F17-N21 VanDerWaalsContact CD1-ND2 3.31Å; F17-N21 WeakPolarHBondContact CD1-ND2 3.49Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.39Å; F17-N21 PolarHBondContact O-N 2.94Å; F17-N21 VanDerWaalsContact O-N 3.13Å; F17-N21 PolarHBondContact O-ND2 3.24Å
18E94.6Very high90.3Very high76 Ų7657.6 Ų57.636%0.35529%0.287SS..Hα-helixtrans-60.4-45.6174-71.6169.4-174.900111.3R14 R15 N21 K22R14-E18 IonicContact CZ-OE1 2.72Å; R14-E18 IonicContact NE-OE1 3.97Å; R14-E18 IonicContact NH1-OE1 2.83Å; R14-E18 PolarHBondContact NH1-OE1 3.2Å; R14-E18 WeakPolarHBondContact O-CG 3.45Å; R14-E18 PolarHBondContact O-N 3.38Å; R15-E18 WeakPolarHBondContact CD-OE2 3.47Å; R15-E18 IonicContact CZ-OE2 2.64Å; R15-E18 IonicContact NH1-OE2 3.84Å; R15-E18 PolarHBondContact NH1-OE2 3.22Å; R15-E18 PolarHBondContact O-N 3.22Å; E18-N21 PolarHBondContact O-N 3.09Å; E18-K22 PolarHBondContact O-N 3.01Å; E18-K22 VanDerWaalsContact O-N 3.15Å
19L95.2Very high91.4Very high14 Ų1460 Ų607%0.07330%0.299CS..Hα-helixtrans-66.6-36175.9-74.7-177.6000113.1R15 I16 K22 C23 L43 Y66 V69 I70 I73R15-L19 PolarHBondContact O-N 3.09Å; I16-L19 PolarHBondContact O-N 3.46Å; L19-K22 PolarHBondContact O-N 3.42Å; L19-C23 VanDerWaalsContact O-CB 3.29Å; L19-C23 WeakPolarHBondContact O-CB 3.27Å; L19-C23 PolarHBondContact O-N 3.44Å; L19-L43 HydrophobicContact CB-CD2 4.14Å; L19-Y66 HydrophobicContact CD1-CD2 3.75Å; L19-Y66 HydrophobicContact CD1-CE2 3.19Å; L19-Y66 HydrophobicContact CG-CE2 4.09Å; L19-V69 HydrophobicContact CB-CG1 4.37Å; L19-V69 HydrophobicContact CD1-CB 4.45Å; L19-V69 HydrophobicContact CD1-CG1 3.98Å; L19-I70 HydrophobicContact CD1-CD1 4.16Å; L19-I70 HydrophobicContact CD1-CG1 3.67Å; L19-I70 HydrophobicContact CD2-CG1 4.04Å; L19-I73 HydrophobicContact CD2-CD1 4.36Å
20D96Very high92.3Very high28 Ų2863.9 Ų63.915%0.1531%0.31CS..Hα-helixtrans-61.1-46177.3-166.757.4000111.4I16 F17 K22 C23 A24 L43 K47I16-D20 WeakPolarHBondContact O-CB 3.17Å; I16-D20 PolarHBondContact O-N 2.88Å; F17-D20 PolarHBondContact O-N 3.48Å; D20-K22 PolarHBondContact O-N 3.11Å; D20-C23 PolarHBondContact O-N 3.19Å; D20-A24 WeakPolarHBondContact O-CB 3.42Å; D20-A24 PolarHBondContact O-N 3.3Å; D20-L43 HydrophobicContact CB-CD1 4.4Å; D20-L43 HydrophobicContact CB-CD2 4.41Å; D20-K47 IonicContact OD1-NZ 2.67Å; D20-K47 PolarHBondContact OD1-NZ 2.96Å; D20-K47 IonicContact OD2-NZ 2.68Å; D20-K47 PolarHBondContact OD2-NZ 3.35Å
21N95.7Very high92.5Very high85 Ų8564 Ų6446%0.45531%0.312SS..Hα-helixtrans-62.7-42.2175.1-68.7-48.5000112F17 E18 S25F17-N21 VanDerWaalsContact CD1-ND2 3.31Å; F17-N21 WeakPolarHBondContact CD1-ND2 3.49Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.39Å; F17-N21 PolarHBondContact O-N 2.94Å; F17-N21 VanDerWaalsContact O-N 3.13Å; F17-N21 PolarHBondContact O-ND2 3.24Å; E18-N21 PolarHBondContact O-N 3.09Å; N21-S25 WeakPolarHBondContact O-CB 3.34Å; N21-S25 PolarHBondContact O-N 3.38Å
22K95.9Very high92.6Very high41 Ų4168.6 Ų68.618%0.17834%0.338CS..Hα-helixtrans-61.9-48.5176.2-172.5-177.5178.8-163.40111E18 L19 D20 A24 S25 L26 I73 E77 D101E18-K22 PolarHBondContact O-N 3.01Å; E18-K22 VanDerWaalsContact O-N 3.15Å; L19-K22 PolarHBondContact O-N 3.42Å; D20-K22 PolarHBondContact O-N 3.11Å; K22-A24 PolarHBondContact O-N 3.44Å; K22-S25 PolarHBondContact O-N 3.27Å; K22-L26 HydrophobicContact CG-CD1 4.22Å; K22-L26 WeakPolarHBondContact O-CG 3.39Å; K22-L26 PolarHBondContact O-N 3.24Å; K22-I73 HydrophobicContact CD-CG2 4.1Å; K22-E77 WeakPolarHBondContact CE-OE2 3.44Å; K22-E77 IonicContact NZ-OE1 3.14Å; K22-E77 IonicContact NZ-OE2 2.76Å; K22-E77 PolarHBondContact NZ-OE2 2.87Å; K22-D101 IonicContact NZ-OD2 2.64Å; K22-D101 PolarHBondContact NZ-OD2 3.4Å
23C96.9Very high92.9Very high1 Ų169.3 Ų69.31%0.00734%0.342CS..Hα-helixtrans-60.2-46.5178.6-172.80000111.4L19 D20 S25 L26 R27 L43 I73L19-C23 VanDerWaalsContact O-CB 3.29Å; L19-C23 WeakPolarHBondContact O-CB 3.27Å; L19-C23 PolarHBondContact O-N 3.44Å; D20-C23 PolarHBondContact O-N 3.19Å; C23-S25 VanDerWaalsContact C-N 3.33Å; C23-S25 PolarHBondContact O-N 2.61Å; C23-L26 PolarHBondContact O-N 3.22Å; C23-R27 WeakPolarHBondContact O-CG 3.46Å; C23-R27 PolarHBondContact O-N 3.41Å; C23-L43 HydrophobicContact CB-CD1 3.74Å; C23-I73 HydrophobicContact CB-CD1 3.87Å; C23-I73 HydrophobicContact CB-CG1 4.48Å
24A95.4Very high93.2Very high49 Ų4971.8 Ų71.841%0.40536%0.358SS..Hα-helixtrans-59.1-44176.500000111.8D20 K22 L26 R27 T28D20-A24 WeakPolarHBondContact O-CB 3.42Å; D20-A24 PolarHBondContact O-N 3.3Å; K22-A24 PolarHBondContact O-N 3.44Å; A24-L26 VanDerWaalsContact C-N 3.35Å; A24-L26 PolarHBondContact O-N 3.46Å; A24-R27 PolarHBondContact O-N 3.06Å; A24-T28 PolarHBondContact O-N 3.09Å
25S96Very high93.4Very high68 Ų6870.7 Ų70.748%0.47635%0.354SS..Hα-helixtrans-62.9-37.3176.1-171.80000113N21 K22 C23 T28N21-S25 WeakPolarHBondContact O-CB 3.34Å; N21-S25 PolarHBondContact O-N 3.38Å; K22-S25 PolarHBondContact O-N 3.27Å; C23-S25 VanDerWaalsContact C-N 3.33Å; C23-S25 PolarHBondContact O-N 2.61Å; S25-T28 PolarHBondContact O-OG1 2.68Å
26L95.3Very high93.6Very high13 Ų1368 Ų687%0.06834%0.344CS..Hα-helixtrans-74.1-33.4178.4-67168.6000111.7K22 C23 A24 T28 E29 K30 L36 I73 Y76 E77K22-L26 HydrophobicContact CG-CD1 4.22Å; K22-L26 WeakPolarHBondContact O-CG 3.39Å; K22-L26 PolarHBondContact O-N 3.24Å; C23-L26 PolarHBondContact O-N 3.22Å; A24-L26 VanDerWaalsContact C-N 3.35Å; A24-L26 PolarHBondContact O-N 3.46Å; L26-T28 VanDerWaalsContact C-N 3.3Å; L26-T28 PolarHBondContact O-N 2.97Å; L26-E29 WeakPolarHBondContact O-CB 3.4Å; L26-E29 PolarHBondContact O-N 3.2Å; L26-E29 VanDerWaalsContact O-N 3.13Å; L26-K30 PolarHBondContact O-N 2.69Å; L26-K30 VanDerWaalsContact O-N 3.1Å; L26-L36 HydrophobicContact CB-CD1 3.84Å; L26-L36 HydrophobicContact CB-CD2 4.12Å; L26-L36 HydrophobicContact CD1-CD2 4.31Å; L26-I73 HydrophobicContact CD1-CG2 3.63Å; L26-Y76 HydrophobicContact CB-CE1 4.28Å; L26-Y76 HydrophobicContact CD1-CD1 4.42Å; L26-Y76 HydrophobicContact CD2-CD1 4.4Å; L26-Y76 HydrophobicContact CD2-CE1 4.05Å; L26-E77 HydrophobicContact CD1-CG 4.08Å; L26-E77 HydrophobicContact CD2-CG 4.31Å
27R94.5Very high93.7Very high73 Ų7371.2 Ų71.228%0.27536%0.359SS..Hα-helixtrans-68.7-26.1176.2-73.1178.569.9-149.33.4113.2C23 A24 E29 K30 Q31 L36 Q37 S40C23-R27 WeakPolarHBondContact O-CG 3.46Å; C23-R27 PolarHBondContact O-N 3.41Å; A24-R27 PolarHBondContact O-N 3.06Å; R27-E29 VanDerWaalsContact C-N 3.28Å; R27-K30 CarbonylContact O-C 3.57Å; R27-K30 VanDerWaalsContact O-C 3.26Å; R27-K30 PolarHBondContact O-N 2.93Å; R27-Q31 WeakPolarHBondContact O-CA 3.28Å; R27-Q31 WeakPolarHBondContact O-CG 3.39Å; R27-Q31 PolarHBondContact O-N 3.03Å; R27-L36 HydrophobicContact CG-CB 3.64Å; R27-L36 HydrophobicContact CG-CD1 4.12Å; R27-L36 HydrophobicContact CG-CG 4.48Å; R27-Q37 VanDerWaalsContact NH2-CD 3.32Å; R27-S40 PolarHBondContact NH1-OG 3.4Å
28T92.4Very high93.9Very high106 Ų10668.8 Ų68.865%0.6535%0.352SS*.Hα-helixtrans-69.5-29.2171.560.50000111.9A24 S25 L26A24-T28 PolarHBondContact O-N 3.09Å; S25-T28 PolarHBondContact O-OG1 2.68Å; L26-T28 VanDerWaalsContact C-N 3.3Å; L26-T28 PolarHBondContact O-N 2.97Å
29E89.9Confident94Very high110 Ų11065.2 Ų65.251%0.51434%0.335SS..Hα-helixtrans-72.7-41.5172.6-61.1-178.9-157.500111.9L26 R27 K80L26-E29 WeakPolarHBondContact O-CB 3.4Å; L26-E29 PolarHBondContact O-N 3.2Å; L26-E29 VanDerWaalsContact O-N 3.13Å; R27-E29 VanDerWaalsContact C-N 3.28Å; E29-K80 IonicContact OE2-NZ 3.29Å; E29-K80 PolarHBondContact OE2-NZ 3.23Å
30K88.3Confident94.1Very high102 Ų10265.3 Ų65.344%0.44334%0.337SS..  trans-14498.9-179.7-164.5-178178.1-161.30111.2L26 R27 D33 Y76L26-K30 PolarHBondContact O-N 2.69Å; L26-K30 VanDerWaalsContact O-N 3.1Å; R27-K30 CarbonylContact O-C 3.57Å; R27-K30 VanDerWaalsContact O-C 3.26Å; R27-K30 PolarHBondContact O-N 2.93Å; K30-D33 HydrophobicContact CD-CB 4Å; K30-D33 HydrophobicContact CG-CB 4.22Å; K30-D33 IonicContact NZ-OD2 2.77Å; K30-D33 PolarHBondContact NZ-OD2 3.15Å; K30-Y76 HydrophobicContact CB-CE2 4.32Å; K30-Y76 WeakPolarHBondContact CB-OH 3.48Å; K30-Y76 HydrophobicContact CD-CE2 3.67Å
31Q81.8Confident94.1Very high136 Ų13666.3 Ų66.364%0.63635%0.349SS*.THydrogen-bonded Turntrans-70.7-35.2-173.7-70.8-177.711.600113R27 D33 Q37R27-Q31 WeakPolarHBondContact O-CA 3.28Å; R27-Q31 WeakPolarHBondContact O-CG 3.39Å; R27-Q31 PolarHBondContact O-N 3.03Å; Q31-D33 PolarHBondContact O-N 3.36Å; Q31-Q37 PolarHBondContact O-NE2 3.39Å
32D88.3Confident94.1Very high145 Ų14563.1 Ų63.178%0.77533%0.332SS*.THydrogen-bonded Turntrans-96.524.1-171.2-56.9-40.3000113.7
33D95Very high94.1Very high16 Ų1661.2 Ų61.29%0.08632%0.324CS..  trans-83.3116.7177.7-162.4-88000111.7K30 Q31 Y35 L36 Q37 Y76K30-D33 HydrophobicContact CD-CB 4Å; K30-D33 HydrophobicContact CG-CB 4.22Å; K30-D33 IonicContact NZ-OD2 2.77Å; K30-D33 PolarHBondContact NZ-OD2 3.15Å; Q31-D33 PolarHBondContact O-N 3.36Å; D33-Y35 VanDerWaalsContact C-N 3.28Å; D33-Y35 PolarHBondContact O-N 3.13Å; D33-Y35 PolarHBondContact OD1-N 2.87Å; D33-L36 HydrophobicContact CB-CB 4.19Å; D33-L36 HydrophobicContact CB-CD1 4Å; D33-L36 HydrophobicContact CB-CG 4.03Å; D33-L36 PolarHBondContact O-N 2.86Å; D33-L36 VanDerWaalsContact O-N 3.16Å; D33-L36 PolarHBondContact OD1-N 3.42Å; D33-Q37 WeakPolarHBondContact O-CG 3.34Å; D33-Q37 PolarHBondContact O-N 3.46Å; D33-Y76 HydrophobicContact CB-CD2 4.41Å; D33-Y76 WeakPolarHBondContact OD2-CD2 3.47Å
34D95.2Very high93.9Very high133 Ų13365.5 Ų65.571%0.71134%0.344SS*.Hα-helixtrans-57.2-38-175-69.6-28.3000113.1Q37 N38D34-Q37 PolarHBondContact O-N 3.37Å; D34-N38 WeakPolarHBondContact O-CB 3.22Å; D34-N38 PolarHBondContact O-N 3.38Å
35Y95.5Very high93.7Very high103 Ų10369.8 Ų69.840%0.40435%0.353SS..Hα-helixtrans-68.9-42.9179.6-65.2-84.4000111.2D33 Q37 N38 A39 F75D33-Y35 VanDerWaalsContact C-N 3.28Å; D33-Y35 PolarHBondContact O-N 3.13Å; D33-Y35 PolarHBondContact OD1-N 2.87Å; Y35-Q37 VanDerWaalsContact C-N 3.31Å; Y35-Q37 PolarHBondContact O-N 2.88Å; Y35-N38 PolarHBondContact O-N 3.45Å; Y35-A39 WeakPolarHBondContact O-CB 3.26Å; Y35-A39 PolarHBondContact O-N 3.28Å; Y35-F75 AromaticContact CD1-CD1 3.81Å; Y35-F75 HydrophobicContact CD1-CD1 3.81Å; Y35-F75 HydrophobicContact CD1-CE1 4.39Å; Y35-F75 HydrophobicContact CD1-CG 4.45Å; Y35-F75 AromaticContact CD2-CD1 3.69Å; Y35-F75 HydrophobicContact CD2-CD1 3.69Å; Y35-F75 AromaticContact CD2-CE1 3.9Å; Y35-F75 HydrophobicContact CD2-CE1 3.9Å; Y35-F75 AromaticContact CE1-CD1 3.64Å; Y35-F75 HydrophobicContact CE1-CD1 3.64Å; Y35-F75 AromaticContact CE1-CE1 3.81Å; Y35-F75 HydrophobicContact CE1-CE1 3.81Å; Y35-F75 HydrophobicContact CE1-CG 4.32Å; Y35-F75 AromaticContact CE2-CD1 3.54Å; Y35-F75 HydrophobicContact CE2-CD1 3.54Å; Y35-F75 AromaticContact CE2-CE1 3.27Å; Y35-F75 HydrophobicContact CE2-CE1 3.27Å; Y35-F75 HydrophobicContact CE2-CZ 4.4Å; Y35-F75 AromaticContact CG-CD1 3.82Å; Y35-F75 HydrophobicContact CG-CD1 3.82Å; Y35-F75 HydrophobicContact CG-CE1 4.42Å; Y35-F75 AromaticContact CZ-CD1 3.5Å; Y35-F75 AromaticContact CZ-CE1 3.2Å; Y35-F75 WeakPolarHBondContact OH-CE1 3.1Å
36L96.9Very high93.5Very high0 Ų066.7 Ų66.70%033%0.331CS..Hα-helixtrans-67.4-33.5176.6-60.5-177.9000112.2L26 R27 D33 S40 I73 Y76L26-L36 HydrophobicContact CB-CD1 3.84Å; L26-L36 HydrophobicContact CB-CD2 4.12Å; L26-L36 HydrophobicContact CD1-CD2 4.31Å; R27-L36 HydrophobicContact CG-CB 3.64Å; R27-L36 HydrophobicContact CG-CD1 4.12Å; R27-L36 HydrophobicContact CG-CG 4.48Å; D33-L36 HydrophobicContact CB-CB 4.19Å; D33-L36 HydrophobicContact CB-CD1 4Å; D33-L36 HydrophobicContact CB-CG 4.03Å; D33-L36 PolarHBondContact O-N 2.86Å; D33-L36 VanDerWaalsContact O-N 3.16Å; D33-L36 PolarHBondContact OD1-N 3.42Å; L36-S40 WeakPolarHBondContact O-CB 3.44Å; L36-S40 PolarHBondContact O-N 3.22Å; L36-I73 HydrophobicContact CD2-CG1 4.4Å; L36-Y76 HydrophobicContact CD1-CD1 3.94Å; L36-Y76 HydrophobicContact CD1-CD2 4.26Å; L36-Y76 HydrophobicContact CD1-CE1 3.99Å; L36-Y76 HydrophobicContact CD1-CE2 4.35Å; L36-Y76 HydrophobicContact CD1-CG 4.06Å; L36-Y76 HydrophobicContact CD2-CD1 4.02Å; L36-Y76 HydrophobicContact CD2-CG 4.05Å; L36-Y76 HydrophobicContact CG-CD1 4.27Å; L36-Y76 HydrophobicContact CG-CD2 4.42Å; L36-Y76 HydrophobicContact CG-CG 4.05Å
37Q95.8Very high93.3Very high72 Ų7267.3 Ų67.334%0.33633%0.334SS..Hα-helixtrans-66.7-44.2173.4-67-66-23.200111.5R27 Q31 D33 D34 Y35 S40 A41R27-Q37 VanDerWaalsContact NH2-CD 3.32Å; Q31-Q37 PolarHBondContact O-NE2 3.39Å; D33-Q37 WeakPolarHBondContact O-CG 3.34Å; D33-Q37 PolarHBondContact O-N 3.46Å; D34-Q37 PolarHBondContact O-N 3.37Å; Y35-Q37 VanDerWaalsContact C-N 3.31Å; Y35-Q37 PolarHBondContact O-N 2.88Å; Q37-S40 PolarHBondContact O-N 3.49Å; Q37-A41 PolarHBondContact O-N 2.92Å
38N96.4Very high92.8Very high74 Ų7466.1 Ų66.140%0.39634%0.336SS..Hα-helixtrans-62-47.7175.6-171.756.1000111.7D34 Y35 S40 A41 I42 D72D34-N38 WeakPolarHBondContact O-CB 3.22Å; D34-N38 PolarHBondContact O-N 3.38Å; Y35-N38 PolarHBondContact O-N 3.45Å; N38-S40 VanDerWaalsContact C-N 3.31Å; N38-S40 PolarHBondContact O-N 2.93Å; N38-A41 PolarHBondContact O-N 3.19Å; N38-A41 VanDerWaalsContact O-N 3.11Å; N38-I42 WeakPolarHBondContact O-CG1 3.35Å; N38-I42 PolarHBondContact O-N 3.16Å; N38-D72 PolarHBondContact ND2-OD2 3.44Å
39A97.2Very high92.2Very high0 Ų063.2 Ų63.20%032%0.315CS..Hα-helixtrans-54.5-47.517500000111.5Y35 A41 I42 L43 V69 D72 I73Y35-A39 WeakPolarHBondContact O-CB 3.26Å; Y35-A39 PolarHBondContact O-N 3.28Å; A39-A41 VanDerWaalsContact C-N 3.35Å; A39-A41 PolarHBondContact O-N 3.43Å; A39-I42 PolarHBondContact O-N 2.88Å; A39-L43 WeakPolarHBondContact O-CB 3.02Å; A39-L43 VanDerWaalsContact O-CG 3.32Å; A39-L43 WeakPolarHBondContact O-CG 3.48Å; A39-L43 PolarHBondContact O-N 3.16Å; A39-V69 HydrophobicContact CB-CG1 4.23Å; A39-D72 HydrophobicContact CB-CB 3.93Å; A39-I73 HydrophobicContact CB-CG1 4.11Å
40S96.8Very high91.5Very high17 Ų1760.6 Ų60.612%0.11930%0.301CS..Hα-helixtrans-61.8-40.6177.3-172.80000112.4R27 L36 Q37 N38 L43 E44R27-S40 PolarHBondContact NH1-OG 3.4Å; L36-S40 WeakPolarHBondContact O-CB 3.44Å; L36-S40 PolarHBondContact O-N 3.22Å; Q37-S40 PolarHBondContact O-N 3.49Å; N38-S40 VanDerWaalsContact C-N 3.31Å; N38-S40 PolarHBondContact O-N 2.93Å; S40-L43 PolarHBondContact O-N 3.29Å; S40-E44 PolarHBondContact O-N 2.85Å
41A96Very high90.8Very high49 Ų4964.9 Ų64.941%0.40531%0.314SS..Hα-helixtrans-66.7-38.3178.700000112.3Q37 N38 A39 K45Q37-A41 PolarHBondContact O-N 2.92Å; N38-A41 PolarHBondContact O-N 3.19Å; N38-A41 VanDerWaalsContact O-N 3.11Å; A39-A41 VanDerWaalsContact C-N 3.35Å; A39-A41 PolarHBondContact O-N 3.43Å; A41-K45 WeakPolarHBondContact O-CG 3.29Å; A41-K45 PolarHBondContact O-N 2.99Å
42I96Very high90.1Very high18 Ų1866.2 Ų66.29%0.09232%0.32CS..Hα-helixtrans-69-41.4175.3-62.7168.1000110.5N38 A39 E44 K45 L46 D65 Q68 V69N38-I42 WeakPolarHBondContact O-CG1 3.35Å; N38-I42 PolarHBondContact O-N 3.16Å; A39-I42 PolarHBondContact O-N 2.88Å; I42-E44 VanDerWaalsContact C-N 3.34Å; I42-E44 PolarHBondContact O-N 3.35Å; I42-K45 WeakPolarHBondContact O-CB 3.35Å; I42-K45 PolarHBondContact O-N 3.45Å; I42-K45 VanDerWaalsContact O-N 3.12Å; I42-L46 HydrophobicContact CG2-CD1 4.04Å; I42-L46 HydrophobicContact CG2-CG 4.33Å; I42-L46 WeakPolarHBondContact O-CG 3.22Å; I42-L46 PolarHBondContact O-N 3.5Å; I42-D65 HydrophobicContact CG2-CB 3.93Å; I42-Q68 HydrophobicContact CD1-CB 4.15Å; I42-Q68 HydrophobicContact CD1-CG 3.68Å; I42-V69 HydrophobicContact CB-CG2 3.76Å; I42-V69 HydrophobicContact CG2-CG2 3.56Å
43L96Very high88.7Confident0 Ų062.6 Ų62.60%032%0.318CS..Hα-helixtrans-59.3-40.8175.9-79.3164000112.5I16 L19 D20 C23 A39 S40 K45 L46 K47 V69I16-L43 HydrophobicContact CG2-CD2 3.93Å; L19-L43 HydrophobicContact CB-CD2 4.14Å; D20-L43 HydrophobicContact CB-CD1 4.4Å; D20-L43 HydrophobicContact CB-CD2 4.41Å; C23-L43 HydrophobicContact CB-CD1 3.74Å; A39-L43 WeakPolarHBondContact O-CB 3.02Å; A39-L43 VanDerWaalsContact O-CG 3.32Å; A39-L43 WeakPolarHBondContact O-CG 3.48Å; A39-L43 PolarHBondContact O-N 3.16Å; S40-L43 PolarHBondContact O-N 3.29Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.49Å; L43-L46 PolarHBondContact O-N 2.91Å; L43-K47 WeakPolarHBondContact O-CB 3.34Å; L43-K47 VanDerWaalsContact O-CG 3.3Å; L43-K47 WeakPolarHBondContact O-CG 3.39Å; L43-K47 PolarHBondContact O-N 3.04Å; L43-V69 HydrophobicContact CD1-CG1 3.77Å; L43-V69 HydrophobicContact CD2-CG1 3.97Å; L43-V69 HydrophobicContact CD2-CG2 4.35Å; L43-V69 HydrophobicContact CG-CG1 3.72Å; L43-V69 HydrophobicContact CG-CG2 3.95Å
44E93.7Very high87Confident92 Ų9263.3 Ų63.343%0.4333%0.329SS..Hα-helixtrans-61.8-40.8174.3-72.9-55146.400112.3S40 I42 K47 S48S40-E44 PolarHBondContact O-N 2.85Å; I42-E44 VanDerWaalsContact C-N 3.34Å; I42-E44 PolarHBondContact O-N 3.35Å; E44-K47 VanDerWaalsContact CD-CE 3.46Å; E44-K47 PolarHBondContact O-N 2.86Å; E44-K47 VanDerWaalsContact OE1-CE 3.25Å; E44-K47 WeakPolarHBondContact OE1-CE 3.32Å; E44-K47 IonicContact OE1-NZ 2.76Å; E44-K47 PolarHBondContact OE1-NZ 2.65Å; E44-K47 WeakPolarHBondContact OE2-CE 3.4Å; E44-K47 IonicContact OE2-NZ 2.75Å; E44-S48 WeakPolarHBondContact O-CB 3.37Å; E44-S48 PolarHBondContact O-N 3.43Å
45K91.6Very high84.9Confident139 Ų13965.4 Ų65.460%0.60433%0.334SS*.Hα-helixtrans-62.2-47.4174.5-66.2172.2-175.9174.80111A41 I42 L43 K47 S48 F49A41-K45 WeakPolarHBondContact O-CG 3.29Å; A41-K45 PolarHBondContact O-N 2.99Å; I42-K45 WeakPolarHBondContact O-CB 3.35Å; I42-K45 PolarHBondContact O-N 3.45Å; I42-K45 VanDerWaalsContact O-N 3.12Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.49Å; K45-K47 PolarHBondContact O-N 2.68Å; K45-S48 PolarHBondContact O-N 2.9Å; K45-S48 PolarHBondContact O-OG 3.17Å; K45-F49 PolarHBondContact O-N 3.48Å
46L91.7Very high83.1Confident3 Ų366.4 Ų66.42%0.01636%0.356CS..Hα-helixtrans-60.7-43.2177.9-73.3172.7000112.1I16 I42 L43 F49 Y50 L62 D65 V69I16-L46 HydrophobicContact CD1-CB 4.01Å; I16-L46 HydrophobicContact CD1-CD1 4.48Å; I16-L46 HydrophobicContact CD1-CD2 4.5Å; I16-L46 HydrophobicContact CG1-CB 4.4Å; I16-L46 HydrophobicContact CG1-CD1 4.32Å; I16-L46 HydrophobicContact CG2-CB 4.18Å; I42-L46 HydrophobicContact CG2-CD1 4.04Å; I42-L46 HydrophobicContact CG2-CG 4.33Å; I42-L46 WeakPolarHBondContact O-CG 3.22Å; I42-L46 PolarHBondContact O-N 3.5Å; L43-L46 PolarHBondContact O-N 2.91Å; L46-F49 WeakPolarHBondContact O-CB 3.34Å; L46-F49 PolarHBondContact O-N 3.48Å; L46-Y50 WeakPolarHBondContact O-CD2 3.4Å; L46-L62 HydrophobicContact CD2-CD2 3.95Å; L46-D65 HydrophobicContact CD1-CB 4.34Å; L46-D65 HydrophobicContact CD2-CB 3.93Å; L46-D65 HydrophobicContact CG-CB 4.32Å; L46-V69 HydrophobicContact CD1-CG2 4.36Å
47K90.1Very high81.7Confident26 Ų2669 Ų6911%0.11337%0.374CS..Hα-helixtrans-65.3-38.5175.7-71.3-179.7-55.6-164.70112.2I16 D20 L43 E44 K45 F49 Y50 R51I16-K47 HydrophobicContact CG2-CG 3.83Å; D20-K47 IonicContact OD1-NZ 2.67Å; D20-K47 PolarHBondContact OD1-NZ 2.96Å; D20-K47 IonicContact OD2-NZ 2.68Å; D20-K47 PolarHBondContact OD2-NZ 3.35Å; L43-K47 WeakPolarHBondContact O-CB 3.34Å; L43-K47 VanDerWaalsContact O-CG 3.3Å; L43-K47 WeakPolarHBondContact O-CG 3.39Å; L43-K47 PolarHBondContact O-N 3.04Å; E44-K47 VanDerWaalsContact CD-CE 3.46Å; E44-K47 PolarHBondContact O-N 2.86Å; E44-K47 VanDerWaalsContact OE1-CE 3.25Å; E44-K47 WeakPolarHBondContact OE1-CE 3.32Å; E44-K47 IonicContact OE1-NZ 2.76Å; E44-K47 PolarHBondContact OE1-NZ 2.65Å; E44-K47 WeakPolarHBondContact OE2-CE 3.4Å; E44-K47 IonicContact OE2-NZ 2.75Å; K45-K47 PolarHBondContact O-N 2.68Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 3.3Å; K47-Y50 PolarHBondContact O-N 2.91Å; K47-R51 PolarHBondContact O-N 2.86Å
48S85Confident81.2Confident48 Ų4868.8 Ų68.834%0.33638%0.381SS..Hα-helixtrans-63.3-35.4179.476.30000112.7E44 K45 Y50 R51 Q52E44-S48 WeakPolarHBondContact O-CB 3.37Å; E44-S48 PolarHBondContact O-N 3.43Å; K45-S48 PolarHBondContact O-N 2.9Å; K45-S48 PolarHBondContact O-OG 3.17Å; S48-Y50 PolarHBondContact O-N 3.46Å; S48-R51 PolarHBondContact O-N 3.12Å; S48-Q52 PolarHBondContact O-N 3.2Å
49F80Confident80.8Confident44 Ų4467.8 Ų67.819%0.19338%0.375CS..Hα-helixtrans-57.9-46.2177174.7-95.5000112.3K45 L46 K47 G54 L62K45-F49 PolarHBondContact O-N 3.48Å; L46-F49 WeakPolarHBondContact O-CB 3.34Å; L46-F49 PolarHBondContact O-N 3.48Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 3.3Å; F49-G54 VanDerWaalsContact CE2-CA 3.44Å; F49-G54 PolarHBondContact O-N 3.41Å; F49-L62 HydrophobicContact CD1-CD1 4.01Å; F49-L62 HydrophobicContact CD1-CD2 3.98Å; F49-L62 HydrophobicContact CD2-CD2 4.28Å; F49-L62 HydrophobicContact CE1-CD1 3.47Å; F49-L62 VanDerWaalsContact CE1-CD1 3.47Å; F49-L62 HydrophobicContact CE1-CD2 4.23Å; F49-L62 HydrophobicContact CE1-CG 4.49Å; F49-L62 HydrophobicContact CE2-CD1 4.44Å; F49-L62 HydrophobicContact CG-CD2 4.02Å; F49-L62 HydrophobicContact CZ-CD1 3.72Å; F49-L62 HydrophobicContact CZ-CD2 4.48Å
50Y74.1Confident80.5Confident55 Ų5569.3 Ų69.322%0.21639%0.385CS..Hα-helixtrans-71.5-31.8179-73.9-80.4000112.9G9 L12 E13 I16 L46 K47 S48G9-Y50 WeakPolarHBondContact O-CE1 3.47Å; L12-Y50 WeakPolarHBondContact CB-OH 3.44Å; L12-Y50 WeakPolarHBondContact CD2-OH 3.44Å; L12-Y50 WeakPolarHBondContact CG-OH 3.36Å; E13-Y50 HydrophobicContact CB-CD1 4.06Å; E13-Y50 HydrophobicContact CB-CD2 4.4Å; E13-Y50 HydrophobicContact CB-CE1 4.02Å; E13-Y50 HydrophobicContact CB-CE2 4.38Å; E13-Y50 HydrophobicContact CB-CG 4.26Å; E13-Y50 HydrophobicContact CG-CD1 4.28Å; E13-Y50 HydrophobicContact CG-CD2 4.44Å; E13-Y50 HydrophobicContact CG-CG 4.14Å; I16-Y50 HydrophobicContact CD1-CD2 4.22Å; I16-Y50 HydrophobicContact CD1-CE2 3.57Å; L46-Y50 WeakPolarHBondContact O-CD2 3.4Å; K47-Y50 PolarHBondContact O-N 2.91Å; S48-Y50 PolarHBondContact O-N 3.46Å
51R73.1Confident80.3Confident193 Ų19372.7 Ų72.773%0.72840%0.397SS*.Hα-helixtrans-72.4-33.8177.7-68.7-176.6-161.1167.98.4113.6K47 S48K47-R51 PolarHBondContact O-N 2.86Å; S48-R51 PolarHBondContact O-N 3.12Å
52Q67.1Low80.1Confident163 Ų16370.9 Ų70.976%0.76238%0.381SS*.THydrogen-bonded Turntrans-96.87.8-171.3-65.8-178.74.100114.3S48 G54S48-Q52 PolarHBondContact O-N 3.2Å; Q52-G54 VanDerWaalsContact C-N 3.35Å
53G59.1Low80Confident70 Ų7070 Ų7072%0.72238%0.376SS*.THydrogen-bonded Turntrans75.720.7177.800000114.7
54G59.5Low80Confident31 Ų3172.8 Ų72.832%0.3239%0.389SS..  trans56.865.8163.800000116.5F49 Q52F49-G54 VanDerWaalsContact CE2-CA 3.44Å; F49-G54 PolarHBondContact O-N 3.41Å; Q52-G54 VanDerWaalsContact C-N 3.35Å
55E52Low80.1Confident177 Ų17770.1 Ų70.183%0.82738%0.378SS*.  trans-82117.6163.2-68.9-166.9166.300110.1
56S57.8Low80.3Confident124 Ų12463.8 Ų63.887%0.86735%0.35SS*.SBendtrans89.5-12.9158.378.60000122.9
57S67.8Low80.6Confident54 Ų5463.6 Ų63.638%0.37835%0.35SS..  trans-89.1127.6179-65.70000113.6
58S84.8Confident81Confident67 Ų6765.8 Ų65.847%0.46936%0.36SS..  trans-75.3151.3176.267.90000111.9P60 K61 L62S58-P60 VanDerWaalsContact C-N 3.35Å; S58-K61 WeakPolarHBondContact O-CB 3.36Å; S58-K61 PolarHBondContact O-N 2.93Å; S58-L62 PolarHBondContact O-N 3.44Å; S58-L62 VanDerWaalsContact O-N 3.09Å
59L87Confident81.6Confident54 Ų5463.5 Ų63.528%0.28334%0.344SS..Hα-helixtrans-52.6-43.1176.517566.3000113.4L12 K61 L62 L63 L112 A113L12-L59 HydrophobicContact CD2-CD1 4.3Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.32Å; L59-L62 PolarHBondContact O-N 2.97Å; L59-L63 HydrophobicContact CD1-CD1 3.98Å; L59-L63 HydrophobicContact CD1-CG 4.1Å; L59-L63 HydrophobicContact CG-CD1 3.98Å; L59-L63 HydrophobicContact CG-CG 4.5Å; L59-L63 PolarHBondContact O-N 3.35Å; L59-L112 HydrophobicContact CD1-CB 4.49Å; L59-L112 HydrophobicContact CD1-CD1 4.27Å; L59-L112 HydrophobicContact CD2-CB 4.16Å; L59-A113 HydrophobicContact CD2-CB 4.28Å
60P91.7Very high82.5Confident31 Ų3161.6 Ų61.620%0.20134%0.336CS..Hα-helixtrans-54.3-44.6172.6-29.837.5000113.3S58 L62 L63 Q64 V121S58-P60 VanDerWaalsContact C-N 3.35Å; P60-L62 PolarHBondContact O-N 3.07Å; P60-L63 PolarHBondContact O-N 3.18Å; P60-Q64 WeakPolarHBondContact O-CB 3.27Å; P60-Q64 VanDerWaalsContact O-CG 3.24Å; P60-Q64 WeakPolarHBondContact O-CG 3.37Å; P60-Q64 PolarHBondContact O-N 3.04Å; P60-V121 HydrophobicContact CB-CG1 4.44Å; P60-V121 WeakPolarHBondContact CB-O 3.4Å
61K91.5Very high83.6Confident89 Ų8959.4 Ų59.439%0.38733%0.328SS..Hα-helixtrans-64.8-42.1179.3-178.453.3179.6157.40111.8S58 L59 L63 Q64 D65S58-K61 WeakPolarHBondContact O-CB 3.36Å; S58-K61 PolarHBondContact O-N 2.93Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.32Å; K61-L63 VanDerWaalsContact C-N 3.35Å; K61-L63 PolarHBondContact O-N 3.01Å; K61-Q64 PolarHBondContact O-N 3.38Å; K61-D65 WeakPolarHBondContact CE-OD1 3.47Å; K61-D65 WeakPolarHBondContact CE-OD2 3.4Å; K61-D65 IonicContact NZ-OD1 2.68Å; K61-D65 PolarHBondContact NZ-OD1 3.24Å; K61-D65 IonicContact NZ-OD2 3.68Å; K61-D65 PolarHBondContact O-N 3.15Å
62L91.9Very high84.8Confident10 Ų1050.6 Ų50.65%0.05230%0.295CS..Hα-helixtrans-62.5-42.1176.4-64.1172.6000112L12 L46 F49 S58 L59 P60 D65 Y66L12-L62 HydrophobicContact CD2-CB 4.06Å; L46-L62 HydrophobicContact CD2-CD2 3.95Å; F49-L62 HydrophobicContact CD1-CD1 4.01Å; F49-L62 HydrophobicContact CD1-CD2 3.98Å; F49-L62 HydrophobicContact CD2-CD2 4.28Å; F49-L62 HydrophobicContact CE1-CD1 3.47Å; F49-L62 VanDerWaalsContact CE1-CD1 3.47Å; F49-L62 HydrophobicContact CE1-CD2 4.23Å; F49-L62 HydrophobicContact CE1-CG 4.49Å; F49-L62 HydrophobicContact CE2-CD1 4.44Å; F49-L62 HydrophobicContact CG-CD2 4.02Å; F49-L62 HydrophobicContact CZ-CD1 3.72Å; F49-L62 HydrophobicContact CZ-CD2 4.48Å; S58-L62 PolarHBondContact O-N 3.44Å; S58-L62 VanDerWaalsContact O-N 3.09Å; L59-L62 PolarHBondContact O-N 2.97Å; P60-L62 PolarHBondContact O-N 3.07Å; L62-D65 PolarHBondContact O-N 2.96Å; L62-Y66 VanDerWaalsContact O-CB 3.27Å; L62-Y66 WeakPolarHBondContact O-CB 3.47Å; L62-Y66 PolarHBondContact O-N 3.42Å
63L94.1Very high86.3Confident0 Ų042.9 Ų42.90%026%0.259CS..Hα-helixtrans-68.5-36.7177.4-78.2171.2000112.5L12 L59 P60 K61 Y66 T67 L108 A109 L112 V121 L122L12-L63 HydrophobicContact CD1-CD2 4.3Å; L12-L63 HydrophobicContact CD2-CD2 4.47Å; L59-L63 HydrophobicContact CD1-CD1 3.98Å; L59-L63 HydrophobicContact CD1-CG 4.1Å; L59-L63 HydrophobicContact CG-CD1 3.98Å; L59-L63 HydrophobicContact CG-CG 4.5Å; L59-L63 PolarHBondContact O-N 3.35Å; P60-L63 PolarHBondContact O-N 3.18Å; K61-L63 VanDerWaalsContact C-N 3.35Å; K61-L63 PolarHBondContact O-N 3.01Å; L63-Y66 PolarHBondContact O-N 3.32Å; L63-T67 WeakPolarHBondContact O-CB 3.4Å; L63-T67 PolarHBondContact O-N 3.3Å; L63-T67 PolarHBondContact O-OG1 3.11Å; L63-L108 HydrophobicContact CD2-CD2 3.89Å; L63-L108 HydrophobicContact CD2-CG 3.99Å; L63-A109 HydrophobicContact CD1-CB 4.2Å; L63-L112 HydrophobicContact CD2-CD1 4.19Å; L63-V121 HydrophobicContact CB-CG1 4.35Å; L63-V121 HydrophobicContact CD1-CG1 3.44Å; L63-V121 VanDerWaalsContact CD1-CG1 3.44Å; L63-L122 HydrophobicContact CB-CD2 4.11Å
64Q95.7Very high88.2Confident58 Ų5839.6 Ų39.627%0.27123%0.225SC..Hα-helixtrans-63.9-46.8173.3-74.2170.34.100111.7P60 K61 Y66 T67 Q68 V121 L122P60-Q64 WeakPolarHBondContact O-CB 3.27Å; P60-Q64 VanDerWaalsContact O-CG 3.24Å; P60-Q64 WeakPolarHBondContact O-CG 3.37Å; P60-Q64 PolarHBondContact O-N 3.04Å; K61-Q64 PolarHBondContact O-N 3.38Å; Q64-Y66 VanDerWaalsContact C-N 3.34Å; Q64-Y66 PolarHBondContact O-N 3.45Å; Q64-T67 WeakPolarHBondContact O-CB 3.3Å; Q64-T67 PolarHBondContact O-N 2.61Å; Q64-Q68 PolarHBondContact O-N 3.48Å; Q64-V121 PolarHBondContact NE2-O 3.31Å; Q64-L122 WeakPolarHBondContact CG-O 3.47Å; Q64-L122 PolarHBondContact NE2-O 3.14Å
65D95.8Very high90Very high37 Ų3740.9 Ų40.920%0.19822%0.222CC..Hα-helixtrans-63.9-41.1177.6-72.1-14.7000111.2I42 L46 K61 L62 T67 Q68 V69I42-D65 HydrophobicContact CG2-CB 3.93Å; L46-D65 HydrophobicContact CD1-CB 4.34Å; L46-D65 HydrophobicContact CD2-CB 3.93Å; L46-D65 HydrophobicContact CG-CB 4.32Å; K61-D65 WeakPolarHBondContact CE-OD1 3.47Å; K61-D65 WeakPolarHBondContact CE-OD2 3.4Å; K61-D65 IonicContact NZ-OD1 2.68Å; K61-D65 PolarHBondContact NZ-OD1 3.24Å; K61-D65 IonicContact NZ-OD2 3.68Å; K61-D65 PolarHBondContact O-N 3.15Å; L62-D65 PolarHBondContact O-N 2.96Å; D65-T67 VanDerWaalsContact C-N 3.33Å; D65-T67 PolarHBondContact O-N 2.87Å; D65-Q68 PolarHBondContact O-N 2.76Å; D65-V69 WeakPolarHBondContact O-CG2 3.45Å; D65-V69 PolarHBondContact O-N 3.44Å
66Y96.6Very high92.1Very high5 Ų533.5 Ų33.52%0.0219%0.187CC..Hα-helixtrans-59.6-43.2172172.6-94.2000112.2L12 R15 I16 L19 L62 L63 Q64 Q68 V69 I70 E104 L108L12-Y66 HydrophobicContact CD1-CD2 3.92Å; L12-Y66 HydrophobicContact CD1-CE2 4.43Å; L12-Y66 HydrophobicContact CD1-CG 3.98Å; R15-Y66 HydrophobicContact CB-CE2 3.7Å; I16-Y66 HydrophobicContact CG1-CD2 3.99Å; L19-Y66 HydrophobicContact CD1-CD2 3.75Å; L19-Y66 HydrophobicContact CD1-CE2 3.19Å; L19-Y66 HydrophobicContact CG-CE2 4.09Å; L62-Y66 VanDerWaalsContact O-CB 3.27Å; L62-Y66 WeakPolarHBondContact O-CB 3.47Å; L62-Y66 PolarHBondContact O-N 3.42Å; L63-Y66 PolarHBondContact O-N 3.32Å; Q64-Y66 VanDerWaalsContact C-N 3.34Å; Q64-Y66 PolarHBondContact O-N 3.45Å; Y66-Q68 VanDerWaalsContact C-N 3.33Å; Y66-Q68 PolarHBondContact O-N 3.42Å; Y66-V69 WeakPolarHBondContact O-CB 3.41Å; Y66-V69 PolarHBondContact O-N 3.05Å; Y66-I70 HydrophobicContact CD1-CD1 4.12Å; Y66-I70 HydrophobicContact CE1-CD1 3.33Å; Y66-I70 HydrophobicContact CE1-CG1 4.38Å; Y66-I70 PolarHBondContact O-N 3.49Å; Y66-E104 WeakPolarHBondContact CE1-OE2 3.26Å; Y66-E104 VanDerWaalsContact OH-CD 3.26Å; Y66-E104 PolarHBondContact OH-OE2 3.26Å; Y66-E104 VanDerWaalsContact OH-OE2 3.07Å; Y66-L108 HydrophobicContact CD1-CD2 4.17Å; Y66-L108 HydrophobicContact CE1-CD2 3.81Å
67T98Very high94Very high0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-64.2-39.2177.5-54.80000111.5L63 Q64 D65 V69 I70 L71 P105 V126 L130L63-T67 WeakPolarHBondContact O-CB 3.4Å; L63-T67 PolarHBondContact O-N 3.3Å; L63-T67 PolarHBondContact O-OG1 3.11Å; Q64-T67 WeakPolarHBondContact O-CB 3.3Å; Q64-T67 PolarHBondContact O-N 2.61Å; D65-T67 VanDerWaalsContact C-N 3.33Å; D65-T67 PolarHBondContact O-N 2.87Å; T67-V69 VanDerWaalsContact C-N 3.31Å; T67-V69 PolarHBondContact O-N 2.79Å; T67-I70 WeakPolarHBondContact O-CB 3.38Å; T67-I70 PolarHBondContact O-N 3.45Å; T67-I70 VanDerWaalsContact O-N 3.15Å; T67-L71 HydrophobicContact CG2-CD1 4.25Å; T67-L71 HydrophobicContact CG2-CG 4.41Å; T67-L71 WeakPolarHBondContact O-CG 3.37Å; T67-L71 PolarHBondContact O-N 2.85Å; T67-P105 HydrophobicContact CG2-CB 3.87Å; T67-P105 HydrophobicContact CG2-CG 3.84Å; T67-P105 WeakPolarHBondContact OG1-CB 3.24Å; T67-V126 HydrophobicContact CG2-CG1 3.32Å; T67-L130 HydrophobicContact CG2-CD1 3.93Å; T67-L130 HydrophobicContact CG2-CD2 3.89Å; T67-L130 HydrophobicContact CG2-CG 4.12Å
68Q97.9Very high95.4Very high72 Ų7226 Ų2634%0.33613%0.132SC..Hα-helixtrans-60.6-41.2176.7-171.860.950.800111.7I42 Q64 D65 Y66 I70 L71 D72I42-Q68 HydrophobicContact CD1-CB 4.15Å; I42-Q68 HydrophobicContact CD1-CG 3.68Å; Q64-Q68 PolarHBondContact O-N 3.48Å; D65-Q68 PolarHBondContact O-N 2.76Å; Y66-Q68 VanDerWaalsContact C-N 3.33Å; Y66-Q68 PolarHBondContact O-N 3.42Å; Q68-I70 VanDerWaalsContact C-N 3.32Å; Q68-I70 PolarHBondContact O-N 2.72Å; Q68-L71 PolarHBondContact O-N 2.65Å; Q68-D72 PolarHBondContact NE2-OD1 3.11Å; Q68-D72 VanDerWaalsContact O-CG 3.3Å; Q68-D72 PolarHBondContact O-N 3.14Å
69V98.3Very high96Very high0 Ų025.7 Ų25.70%013%0.125CC..Hα-helixtrans-59.7-43.1175174.40000111.2L19 A39 I42 L43 L46 D65 Y66 T67 D72 I73L19-V69 HydrophobicContact CB-CG1 4.37Å; L19-V69 HydrophobicContact CD1-CB 4.45Å; L19-V69 HydrophobicContact CD1-CG1 3.98Å; A39-V69 HydrophobicContact CB-CG1 4.23Å; I42-V69 HydrophobicContact CB-CG2 3.76Å; I42-V69 HydrophobicContact CG2-CG2 3.56Å; L43-V69 HydrophobicContact CD1-CG1 3.77Å; L43-V69 HydrophobicContact CD2-CG1 3.97Å; L43-V69 HydrophobicContact CD2-CG2 4.35Å; L43-V69 HydrophobicContact CG-CG1 3.72Å; L43-V69 HydrophobicContact CG-CG2 3.95Å; L46-V69 HydrophobicContact CD1-CG2 4.36Å; D65-V69 WeakPolarHBondContact O-CG2 3.45Å; D65-V69 PolarHBondContact O-N 3.44Å; Y66-V69 WeakPolarHBondContact O-CB 3.41Å; Y66-V69 PolarHBondContact O-N 3.05Å; T67-V69 VanDerWaalsContact C-N 3.31Å; T67-V69 PolarHBondContact O-N 2.79Å; V69-D72 PolarHBondContact O-N 3.26Å; V69-I73 HydrophobicContact CG1-CD1 3.75Å; V69-I73 HydrophobicContact CG1-CG1 4.48Å; V69-I73 WeakPolarHBondContact O-CB 3.37Å; V69-I73 VanDerWaalsContact O-CG1 3.31Å; V69-I73 WeakPolarHBondContact O-CG1 3.25Å; V69-I73 PolarHBondContact O-N 3.1Å
70I98.5Very high96.4Very high3 Ų326.7 Ų26.72%0.01513%0.127CC..Hα-helixtrans-62.2-46.2175.5-75.3173.1000110.8L19 Y66 T67 Q68 D72 I73 T74 D101 L102 E104 P105L19-I70 HydrophobicContact CD1-CD1 4.16Å; L19-I70 HydrophobicContact CD1-CG1 3.67Å; L19-I70 HydrophobicContact CD2-CG1 4.04Å; Y66-I70 HydrophobicContact CD1-CD1 4.12Å; Y66-I70 HydrophobicContact CE1-CD1 3.33Å; Y66-I70 HydrophobicContact CE1-CG1 4.38Å; Y66-I70 PolarHBondContact O-N 3.49Å; T67-I70 WeakPolarHBondContact O-CB 3.38Å; T67-I70 PolarHBondContact O-N 3.45Å; T67-I70 VanDerWaalsContact O-N 3.15Å; Q68-I70 VanDerWaalsContact C-N 3.32Å; Q68-I70 PolarHBondContact O-N 2.72Å; I70-D72 VanDerWaalsContact C-N 3.34Å; I70-D72 PolarHBondContact O-N 2.94Å; I70-I73 PolarHBondContact O-N 3.42Å; I70-T74 HydrophobicContact CG2-CG2 4.11Å; I70-T74 VanDerWaalsContact O-CB 3.32Å; I70-T74 WeakPolarHBondContact O-CB 3.49Å; I70-T74 VanDerWaalsContact O-CG2 3.23Å; I70-T74 WeakPolarHBondContact O-CG2 3.39Å; I70-T74 PolarHBondContact O-N 3.5Å; I70-T74 PolarHBondContact O-OG1 3.09Å; I70-D101 WeakPolarHBondContact CG2-O 3.32Å; I70-L102 HydrophobicContact CG2-CD2 4.43Å; I70-E104 HydrophobicContact CD1-CB 4.47Å; I70-P105 HydrophobicContact CD1-CG 3.72Å; I70-P105 HydrophobicContact CG2-CG 4.44Å
71L98.4Very high96.6Very high10 Ų1025.6 Ų25.65%0.05212%0.12CC..Hα-helixtrans-59.4-44.6179.6-72.8171.8000111.5T67 Q68 T74 F75 L102 L130 R133T67-L71 HydrophobicContact CG2-CD1 4.25Å; T67-L71 HydrophobicContact CG2-CG 4.41Å; T67-L71 WeakPolarHBondContact O-CG 3.37Å; T67-L71 PolarHBondContact O-N 2.85Å; Q68-L71 PolarHBondContact O-N 2.65Å; L71-T74 PolarHBondContact O-OG1 3.34Å; L71-T74 VanDerWaalsContact O-OG1 3.11Å; L71-F75 WeakPolarHBondContact O-CB 3.45Å; L71-F75 PolarHBondContact O-N 3.3Å; L71-L102 HydrophobicContact CD2-CD2 4.03Å; L71-L130 HydrophobicContact CD2-CD2 3.8Å; L71-L130 HydrophobicContact CG-CD2 4.29Å; L71-R133 HydrophobicContact CD2-CG 4.09Å
72D98.1Very high96.8Very high8 Ų823.6 Ų23.64%0.04312%0.115CC..Hα-helixtrans-65.9-46.8179.6-69.6-9.8000112.1N38 A39 Q68 V69 I70 F75 Y76N38-D72 PolarHBondContact ND2-OD2 3.44Å; A39-D72 HydrophobicContact CB-CB 3.93Å; Q68-D72 PolarHBondContact NE2-OD1 3.11Å; Q68-D72 VanDerWaalsContact O-CG 3.3Å; Q68-D72 PolarHBondContact O-N 3.14Å; V69-D72 PolarHBondContact O-N 3.26Å; I70-D72 VanDerWaalsContact C-N 3.34Å; I70-D72 PolarHBondContact O-N 2.94Å; D72-F75 PolarHBondContact O-N 2.86Å; D72-Y76 PolarHBondContact O-N 3.2Å
73I98.1Very high97Very high1 Ų129.6 Ų29.61%0.00515%0.147CC..Hα-helixtrans-63.2-48.1178.7-71.5171.9000110.7L19 K22 C23 L26 L36 A39 V69 I70 F75 Y76 E77L19-I73 HydrophobicContact CD2-CD1 4.36Å; K22-I73 HydrophobicContact CD-CG2 4.1Å; C23-I73 HydrophobicContact CB-CD1 3.87Å; C23-I73 HydrophobicContact CB-CG1 4.48Å; L26-I73 HydrophobicContact CD1-CG2 3.63Å; L36-I73 HydrophobicContact CD2-CG1 4.4Å; A39-I73 HydrophobicContact CB-CG1 4.11Å; V69-I73 HydrophobicContact CG1-CD1 3.75Å; V69-I73 HydrophobicContact CG1-CG1 4.48Å; V69-I73 WeakPolarHBondContact O-CB 3.37Å; V69-I73 VanDerWaalsContact O-CG1 3.31Å; V69-I73 WeakPolarHBondContact O-CG1 3.25Å; V69-I73 PolarHBondContact O-N 3.1Å; I70-I73 PolarHBondContact O-N 3.42Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.32Å; I73-Y76 PolarHBondContact O-N 3.3Å; I73-E77 WeakPolarHBondContact O-CG 3.06Å; I73-E77 PolarHBondContact O-N 3.11Å; I73-E77 VanDerWaalsContact O-N 3.13Å
74T98.3Very high97Very high1 Ų134.1 Ų34.11%0.00617%0.168CC..Hα-helixtrans-67.3-33.1-179.555.50000111.3I70 L71 Y76 E77 E78 L98 D101 L102I70-T74 HydrophobicContact CG2-CG2 4.11Å; I70-T74 VanDerWaalsContact O-CB 3.32Å; I70-T74 WeakPolarHBondContact O-CB 3.49Å; I70-T74 VanDerWaalsContact O-CG2 3.23Å; I70-T74 WeakPolarHBondContact O-CG2 3.39Å; I70-T74 PolarHBondContact O-N 3.5Å; I70-T74 PolarHBondContact O-OG1 3.09Å; L71-T74 PolarHBondContact O-OG1 3.34Å; L71-T74 VanDerWaalsContact O-OG1 3.11Å; T74-Y76 PolarHBondContact O-N 3.41Å; T74-E77 PolarHBondContact O-N 3.21Å; T74-E78 VanDerWaalsContact O-CB 3.29Å; T74-E78 WeakPolarHBondContact O-CB 3.41Å; T74-E78 WeakPolarHBondContact O-CG 3.34Å; T74-E78 PolarHBondContact O-N 3.02Å; T74-L98 HydrophobicContact CG2-CD2 3.89Å; T74-D101 HydrophobicContact CG2-CB 3.98Å; T74-L102 HydrophobicContact CG2-CD2 4.25Å; T74-L102 HydrophobicContact CG2-CG 4.21Å; T74-L102 WeakPolarHBondContact OG1-CD2 3.32Å
75F97.8Very high97Very high57 Ų5737.6 Ų37.625%0.2518%0.184CC..Hα-helixtrans-60.6-46.7174.8-174.5-96.6000111.8Y35 L71 D72 I73 E77 E78 N79Y35-F75 AromaticContact CD1-CD1 3.81Å; Y35-F75 HydrophobicContact CD1-CD1 3.81Å; Y35-F75 HydrophobicContact CD1-CE1 4.39Å; Y35-F75 HydrophobicContact CD1-CG 4.45Å; Y35-F75 AromaticContact CD2-CD1 3.69Å; Y35-F75 HydrophobicContact CD2-CD1 3.69Å; Y35-F75 AromaticContact CD2-CE1 3.9Å; Y35-F75 HydrophobicContact CD2-CE1 3.9Å; Y35-F75 AromaticContact CE1-CD1 3.64Å; Y35-F75 HydrophobicContact CE1-CD1 3.64Å; Y35-F75 AromaticContact CE1-CE1 3.81Å; Y35-F75 HydrophobicContact CE1-CE1 3.81Å; Y35-F75 HydrophobicContact CE1-CG 4.32Å; Y35-F75 AromaticContact CE2-CD1 3.54Å; Y35-F75 HydrophobicContact CE2-CD1 3.54Å; Y35-F75 AromaticContact CE2-CE1 3.27Å; Y35-F75 HydrophobicContact CE2-CE1 3.27Å; Y35-F75 HydrophobicContact CE2-CZ 4.4Å; Y35-F75 AromaticContact CG-CD1 3.82Å; Y35-F75 HydrophobicContact CG-CD1 3.82Å; Y35-F75 HydrophobicContact CG-CE1 4.42Å; Y35-F75 AromaticContact CZ-CD1 3.5Å; Y35-F75 AromaticContact CZ-CE1 3.2Å; Y35-F75 WeakPolarHBondContact OH-CE1 3.1Å; L71-F75 WeakPolarHBondContact O-CB 3.45Å; L71-F75 PolarHBondContact O-N 3.3Å; D72-F75 PolarHBondContact O-N 2.86Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.32Å; F75-E77 PolarHBondContact O-N 2.92Å; F75-E78 PolarHBondContact O-N 3.48Å; F75-N79 VanDerWaalsContact CD1-ND2 3.25Å; F75-N79 WeakPolarHBondContact CD1-ND2 3.42Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.3Å; F75-N79 VanDerWaalsContact CZ-ND2 3.3Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.43Å; F75-N79 VanDerWaalsContact O-CG 3.32Å; F75-N79 PolarHBondContact O-N 3.14Å; F75-N79 PolarHBondContact O-ND2 3.41Å; F75-N79 VanDerWaalsContact O-ND2 3.08Å
76Y97.2Very high97Very high22 Ų2235.9 Ų35.99%0.08618%0.175CC..Hα-helixtrans-57.6-49.6173.8171.2-104.3000112.2L26 K30 D33 L36 D72 I73 T74 E78 N79 K80L26-Y76 HydrophobicContact CB-CE1 4.28Å; L26-Y76 HydrophobicContact CD1-CD1 4.42Å; L26-Y76 HydrophobicContact CD2-CD1 4.4Å; L26-Y76 HydrophobicContact CD2-CE1 4.05Å; K30-Y76 HydrophobicContact CB-CE2 4.32Å; K30-Y76 WeakPolarHBondContact CB-OH 3.48Å; K30-Y76 HydrophobicContact CD-CE2 3.67Å; D33-Y76 HydrophobicContact CB-CD2 4.41Å; D33-Y76 WeakPolarHBondContact OD2-CD2 3.47Å; L36-Y76 HydrophobicContact CD1-CD1 3.94Å; L36-Y76 HydrophobicContact CD1-CD2 4.26Å; L36-Y76 HydrophobicContact CD1-CE1 3.99Å; L36-Y76 HydrophobicContact CD1-CE2 4.35Å; L36-Y76 HydrophobicContact CD1-CG 4.06Å; L36-Y76 HydrophobicContact CD2-CD1 4.02Å; L36-Y76 HydrophobicContact CD2-CG 4.05Å; L36-Y76 HydrophobicContact CG-CD1 4.27Å; L36-Y76 HydrophobicContact CG-CD2 4.42Å; L36-Y76 HydrophobicContact CG-CG 4.05Å; D72-Y76 PolarHBondContact O-N 3.2Å; I73-Y76 PolarHBondContact O-N 3.3Å; T74-Y76 PolarHBondContact O-N 3.41Å; Y76-E78 PolarHBondContact O-N 2.9Å; Y76-N79 PolarHBondContact O-N 3.46Å; Y76-K80 PolarHBondContact O-N 2.92Å; Y76-K80 VanDerWaalsContact O-N 3.16Å
77E97.3Very high96.9Very high12 Ų1237.2 Ų37.26%0.05619%0.185CC..Hα-helixtrans-67.5-35.7-177.3-68.7-175.211300113.1K22 L26 I73 T74 F75 K80 L81 K94 L98K22-E77 WeakPolarHBondContact CE-OE2 3.44Å; K22-E77 IonicContact NZ-OE1 3.14Å; K22-E77 IonicContact NZ-OE2 2.76Å; K22-E77 PolarHBondContact NZ-OE2 2.87Å; L26-E77 HydrophobicContact CD1-CG 4.08Å; L26-E77 HydrophobicContact CD2-CG 4.31Å; I73-E77 WeakPolarHBondContact O-CG 3.06Å; I73-E77 PolarHBondContact O-N 3.11Å; I73-E77 VanDerWaalsContact O-N 3.13Å; T74-E77 PolarHBondContact O-N 3.21Å; F75-E77 PolarHBondContact O-N 2.92Å; E77-K80 PolarHBondContact O-N 3.27Å; E77-L81 PolarHBondContact O-N 2.84Å; E77-K94 VanDerWaalsContact OE1-CE 3.32Å; E77-K94 WeakPolarHBondContact OE1-CE 3.32Å; E77-K94 IonicContact OE1-NZ 3.04Å; E77-K94 PolarHBondContact OE1-NZ 3.2Å; E77-L98 HydrophobicContact CB-CD2 3.78Å
78E97.6Very high96.6Very high10 Ų1042.2 Ų42.25%0.04721%0.208CC..Hα-helixtrans-67.6-44.3176-74.4171.9-138.500112T74 F75 Y76 K80 L81 V82 L98 R133 L137T74-E78 VanDerWaalsContact O-CB 3.29Å; T74-E78 WeakPolarHBondContact O-CB 3.41Å; T74-E78 WeakPolarHBondContact O-CG 3.34Å; T74-E78 PolarHBondContact O-N 3.02Å; F75-E78 PolarHBondContact O-N 3.48Å; Y76-E78 PolarHBondContact O-N 2.9Å; E78-K80 VanDerWaalsContact C-N 3.25Å; E78-K80 PolarHBondContact O-N 3.29Å; E78-L81 WeakPolarHBondContact O-CB 3.49Å; E78-L81 PolarHBondContact O-N 3.47Å; E78-V82 WeakPolarHBondContact O-CG2 3.26Å; E78-V82 PolarHBondContact O-N 2.91Å; E78-L98 HydrophobicContact CG-CD1 3.77Å; E78-L98 HydrophobicContact CG-CD2 4.48Å; E78-R133 IonicContact OE1-CZ 3.88Å; E78-R133 IonicContact OE1-NH1 3.84Å; E78-R133 IonicContact OE1-NH2 2.67Å; E78-R133 PolarHBondContact OE1-NH2 3.03Å; E78-R133 IonicContact OE2-CZ 3.97Å; E78-R133 IonicContact OE2-NH1 2.71Å; E78-R133 PolarHBondContact OE2-NH1 3.44Å; E78-R133 IonicContact OE2-NH2 3.05Å; E78-R133 PolarHBondContact OE2-NH2 3.44Å; E78-L137 HydrophobicContact CB-CD1 4.41Å; E78-L137 HydrophobicContact CG-CD1 3.75Å; E78-L137 HydrophobicContact CG-CD2 4.14Å; E78-L137 HydrophobicContact CG-CG 4.42Å
79N95.8Very high96.3Very high60 Ų6045.7 Ų45.732%0.32123%0.229SC..Hα-helixtrans-59.7-40.3176-72-33.7000111.1F75 Y76 L81 V82 D83F75-N79 VanDerWaalsContact CD1-ND2 3.25Å; F75-N79 WeakPolarHBondContact CD1-ND2 3.42Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.3Å; F75-N79 VanDerWaalsContact CZ-ND2 3.3Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.43Å; F75-N79 VanDerWaalsContact O-CG 3.32Å; F75-N79 PolarHBondContact O-N 3.14Å; F75-N79 PolarHBondContact O-ND2 3.41Å; F75-N79 VanDerWaalsContact O-ND2 3.08Å; Y76-N79 PolarHBondContact O-N 3.46Å; N79-L81 VanDerWaalsContact C-N 3.29Å; N79-L81 PolarHBondContact O-N 3.48Å; N79-V82 PolarHBondContact O-N 3.24Å; N79-V82 VanDerWaalsContact O-N 3.13Å; N79-D83 WeakPolarHBondContact O-CB 3.33Å; N79-D83 PolarHBondContact O-N 3.15Å
80K95.4Very high96Very high74 Ų7448.1 Ų48.132%0.32225%0.245SC..Hα-helixtrans-58.5-39.5174-172.7177.5-179.1179.90112.2E29 Y76 E77 E78 Q84E29-K80 IonicContact OE2-NZ 3.29Å; E29-K80 PolarHBondContact OE2-NZ 3.23Å; Y76-K80 PolarHBondContact O-N 2.92Å; Y76-K80 VanDerWaalsContact O-N 3.16Å; E77-K80 PolarHBondContact O-N 3.27Å; E78-K80 VanDerWaalsContact C-N 3.25Å; E78-K80 PolarHBondContact O-N 3.29Å; K80-Q84 WeakPolarHBondContact O-CB 3.46Å; K80-Q84 WeakPolarHBondContact O-CG 3.34Å; K80-Q84 PolarHBondContact O-N 2.88Å
81L96.8Very high95.9Very high8 Ų848 Ų484%0.04224%0.244CC..Hα-helixtrans-68.5-40175.2-73.9176.5000112.4E77 E78 N79 Q84 E85 F86 K94 I95 L98E77-L81 PolarHBondContact O-N 2.84Å; E78-L81 WeakPolarHBondContact O-CB 3.49Å; E78-L81 PolarHBondContact O-N 3.47Å; N79-L81 VanDerWaalsContact C-N 3.29Å; N79-L81 PolarHBondContact O-N 3.48Å; L81-Q84 CarbonylContact O-C 3.58Å; L81-Q84 PolarHBondContact O-N 3.49Å; L81-E85 PolarHBondContact O-N 3.28Å; L81-F86 HydrophobicContact CB-CD1 3.83Å; L81-F86 HydrophobicContact CB-CE1 3.68Å; L81-F86 HydrophobicContact CB-CZ 4.42Å; L81-F86 HydrophobicContact CD1-CD1 4.32Å; L81-F86 HydrophobicContact CD1-CE1 4.17Å; L81-F86 PolarHBondContact O-N 3.08Å; L81-K94 HydrophobicContact CD1-CB 4.14Å; L81-K94 HydrophobicContact CD1-CG 3.75Å; L81-K94 HydrophobicContact CD2-CB 4.21Å; L81-K94 HydrophobicContact CD2-CG 4.07Å; L81-K94 HydrophobicContact CG-CG 4.18Å; L81-I95 HydrophobicContact CD1-CD1 4.01Å; L81-L98 HydrophobicContact CD1-CD1 3.62Å
82V95.5Very high95.6Very high48 Ų4850.3 Ų50.329%0.29126%0.26SS..Hα-helixtrans-63.8-47.7177.4173.20000110.5E78 N79 Q84 E85 F86 M140E78-V82 WeakPolarHBondContact O-CG2 3.26Å; E78-V82 PolarHBondContact O-N 2.91Å; N79-V82 PolarHBondContact O-N 3.24Å; N79-V82 VanDerWaalsContact O-N 3.13Å; V82-Q84 PolarHBondContact O-N 3.28Å; V82-E85 WeakPolarHBondContact O-CA 3.41Å; V82-E85 PolarHBondContact O-N 3.35Å; V82-F86 HydrophobicContact CG2-CE2 4.02Å; V82-F86 HydrophobicContact CG2-CZ 3.75Å; V82-M140 HydrophobicContact CG1-CE 3.9Å; V82-M140 HydrophobicContact CG2-CB 4.45Å; V82-M140 HydrophobicContact CG2-CE 4.11Å
83D95.3Very high95.5Very high136 Ų13656.8 Ų56.873%0.72729%0.288SS*.Hα-helixtrans-60.9-30.1178.3-69.2-22.4000112.5N79 E85N79-D83 WeakPolarHBondContact O-CB 3.33Å; N79-D83 PolarHBondContact O-N 3.15Å; D83-E85 VanDerWaalsContact C-N 3.31Å
84Q95.6Very high95.5Very high95 Ų9558.8 Ų58.844%0.44430%0.297SS..THydrogen-bonded Turntrans-90.55.4177-66.5175.15.400113.2K80 L81 V82 F86 P87K80-Q84 WeakPolarHBondContact O-CB 3.46Å; K80-Q84 WeakPolarHBondContact O-CG 3.34Å; K80-Q84 PolarHBondContact O-N 2.88Å; L81-Q84 CarbonylContact O-C 3.58Å; L81-Q84 PolarHBondContact O-N 3.49Å; V82-Q84 PolarHBondContact O-N 3.28Å; Q84-F86 VanDerWaalsContact C-N 3.25Å; Q84-F86 PolarHBondContact O-N 3.24Å; Q84-P87 HydrophobicContact CB-CG 3.8Å; Q84-P87 WeakPolarHBondContact O-CD 3.47Å
85E95.4Very high95.5Very high131 Ų13159 Ų5961%0.61230%0.298SS*.THydrogen-bonded Turntrans51.940.2-176.3-56.7-174166.400113.2L81 V82 D83 T144 R148L81-E85 PolarHBondContact O-N 3.28Å; V82-E85 WeakPolarHBondContact O-CA 3.41Å; V82-E85 PolarHBondContact O-N 3.35Å; D83-E85 VanDerWaalsContact C-N 3.31Å; E85-T144 HydrophobicContact CB-CG2 4.25Å; E85-T144 WeakPolarHBondContact O-CG2 3.25Å; E85-R148 PolarHBondContact O-NH2 3.04Å
86F96.1Very high95.4Very high1 Ų161.7 Ų61.70%0.00431%0.311CS..  trans48.176.8179.5-58.7-85.5000113.7L81 V82 Q84 E88 S91 I95 L137 M140 Y141 T144 R148L81-F86 HydrophobicContact CB-CD1 3.83Å; L81-F86 HydrophobicContact CB-CE1 3.68Å; L81-F86 HydrophobicContact CB-CZ 4.42Å; L81-F86 HydrophobicContact CD1-CD1 4.32Å; L81-F86 HydrophobicContact CD1-CE1 4.17Å; L81-F86 PolarHBondContact O-N 3.08Å; V82-F86 HydrophobicContact CG2-CE2 4.02Å; V82-F86 HydrophobicContact CG2-CZ 3.75Å; Q84-F86 VanDerWaalsContact C-N 3.25Å; Q84-F86 PolarHBondContact O-N 3.24Å; F86-E88 PolarHBondContact O-N 3.03Å; F86-S91 WeakPolarHBondContact CA-OG 3.31Å; F86-S91 WeakPolarHBondContact CB-OG 3.47Å; F86-S91 PolarHBondContact O-OG 3.05Å; F86-I95 HydrophobicContact CD1-CD1 4.13Å; F86-I95 HydrophobicContact CE1-CD1 3.8Å; F86-L137 HydrophobicContact CE1-CD1 4.23Å; F86-M140 HydrophobicContact CE2-CB 3.97Å; F86-M140 HydrophobicContact CZ-CB 3.78Å; F86-Y141 HydrophobicContact CB-CD2 3.82Å; F86-Y141 HydrophobicContact CB-CE2 4.09Å; F86-Y141 AromaticContact CD1-CD2 3.62Å; F86-Y141 HydrophobicContact CD1-CD2 3.62Å; F86-Y141 HydrophobicContact CD1-CE2 4.43Å; F86-Y141 HydrophobicContact CD1-CG 4.36Å; F86-Y141 HydrophobicContact CD2-CD2 4.49Å; F86-Y141 HydrophobicContact CE1-CD2 4.32Å; F86-Y141 AromaticContact CG-CD2 3.72Å; F86-Y141 HydrophobicContact CG-CD2 3.72Å; F86-Y141 HydrophobicContact CG-CE2 4.47Å; F86-T144 HydrophobicContact CD2-CG2 4.2Å; F86-T144 WeakPolarHBondContact CD2-OG1 3.35Å; F86-R148 PolarHBondContact O-NH1 3.24Å
87P94.8Very high95.5Very high33 Ų3363.2 Ų63.221%0.21432%0.319CS..  trans-55.6135.2177.2-23.633.9000112.6Q84 D89 S91Q84-P87 HydrophobicContact CB-CG 3.8Å; Q84-P87 WeakPolarHBondContact O-CD 3.47Å; P87-D89 VanDerWaalsContact C-N 3.27Å; P87-D89 VanDerWaalsContact CB-OD1 3.25Å; P87-D89 WeakPolarHBondContact CB-OD1 3.47Å; P87-D89 PolarHBondContact O-N 3.47Å; P87-S91 WeakPolarHBondContact CD-OG 3.4Å; P87-S91 WeakPolarHBondContact O-CB 3.38Å; P87-S91 PolarHBondContact O-N 3.1Å; P87-S91 PolarHBondContact O-OG 3.22Å
88E90.3Very high95.5Very high105 Ų10562.7 Ų62.749%0.49132%0.317SS..THydrogen-bonded Turntrans-65.5-27.7-170.7-64.4-170.3-179.700114.2F86 R148F86-E88 PolarHBondContact O-N 3.03Å; E88-R148 IonicContact OE1-NH1 2.8Å
89D91.3Very high95.6Very high144 Ų14463.5 Ų63.577%0.7732%0.321SS*.THydrogen-bonded Turntrans-75.5-37.5-175.762.8-30.1000113.3P87P87-D89 VanDerWaalsContact C-N 3.27Å; P87-D89 VanDerWaalsContact CB-OD1 3.25Å; P87-D89 WeakPolarHBondContact CB-OD1 3.47Å; P87-D89 PolarHBondContact O-N 3.47Å
90C93.1Very high95.7Very high51 Ų5166 Ų6635%0.34533%0.331SS..THydrogen-bonded Turntrans-112.6-26.1-174.466.90000114.3F93 K94C90-F93 PolarHBondContact O-N 3.19Å; C90-K94 PolarHBondContact O-N 2.87Å
91S95.3Very high95.8Very high0 Ų064.3 Ų64.30%033%0.326CS..Hα-helixtrans-59-44-171.5-63.20000114.4F86 P87 F93 K94 I95F86-S91 WeakPolarHBondContact CA-OG 3.31Å; F86-S91 WeakPolarHBondContact CB-OG 3.47Å; F86-S91 PolarHBondContact O-OG 3.05Å; P87-S91 WeakPolarHBondContact CD-OG 3.4Å; P87-S91 WeakPolarHBondContact O-CB 3.38Å; P87-S91 PolarHBondContact O-N 3.1Å; P87-S91 PolarHBondContact O-OG 3.22Å; S91-F93 VanDerWaalsContact C-N 3.3Å; S91-F93 PolarHBondContact O-N 3.46Å; S91-K94 PolarHBondContact O-N 2.92Å; S91-K94 VanDerWaalsContact O-N 3.12Å; S91-I95 WeakPolarHBondContact O-CB 3.42Å; S91-I95 WeakPolarHBondContact O-CG1 3.25Å; S91-I95 PolarHBondContact O-N 3.42Å
92P93.4Very high95.9Very high59 Ų5964 Ų6438%0.38332%0.324SS..Hα-helixtrans-56.7-43.8-178.9-25.434.5000113Q96P92-Q96 PolarHBondContact O-N 2.91Å
93F95.8Very high96.1Very high145 Ų14563.5 Ų63.564%0.63632%0.321SS*.Hα-helixtrans-67.6-44.6176.9176.5-96.1000111.1C90 S91 Q96 Q97C90-F93 PolarHBondContact O-N 3.19Å; S91-F93 VanDerWaalsContact C-N 3.3Å; S91-F93 PolarHBondContact O-N 3.46Å; F93-Q96 PolarHBondContact O-N 2.76Å; F93-Q97 PolarHBondContact O-N 3.19Å
94K97.4Very high96.2Very high42 Ų4258.2 Ų58.218%0.18329%0.292CS..Hα-helixtrans-66.7-40.8-177-166.266.4-175.1174.10112.6E77 L81 C90 S91 Q96 Q97 L98E77-K94 VanDerWaalsContact OE1-CE 3.32Å; E77-K94 WeakPolarHBondContact OE1-CE 3.32Å; E77-K94 IonicContact OE1-NZ 3.04Å; E77-K94 PolarHBondContact OE1-NZ 3.2Å; L81-K94 HydrophobicContact CD1-CB 4.14Å; L81-K94 HydrophobicContact CD1-CG 3.75Å; L81-K94 HydrophobicContact CD2-CB 4.21Å; L81-K94 HydrophobicContact CD2-CG 4.07Å; L81-K94 HydrophobicContact CG-CG 4.18Å; C90-K94 PolarHBondContact O-N 2.87Å; S91-K94 PolarHBondContact O-N 2.92Å; S91-K94 VanDerWaalsContact O-N 3.12Å; K94-Q96 VanDerWaalsContact C-N 3.32Å; K94-Q96 PolarHBondContact O-N 2.98Å; K94-Q97 VanDerWaalsContact NZ-OE1 3.1Å; K94-Q97 PolarHBondContact O-N 3.44Å; K94-L98 HydrophobicContact CG-CD1 4.11Å; K94-L98 HydrophobicContact CG-CG 4.49Å; K94-L98 VanDerWaalsContact O-CG 3.3Å; K94-L98 WeakPolarHBondContact O-CG 3.43Å; K94-L98 PolarHBondContact O-N 3.36Å
95I97.8Very high96.2Very high7 Ų753.7 Ų53.74%0.03627%0.271CS..Hα-helixtrans-58.5-46.2173.1-67.7-66.5000110.4L81 F86 S91 Q97 L98 L99 L137 L138 Y141L81-I95 HydrophobicContact CD1-CD1 4.01Å; F86-I95 HydrophobicContact CD1-CD1 4.13Å; F86-I95 HydrophobicContact CE1-CD1 3.8Å; S91-I95 WeakPolarHBondContact O-CB 3.42Å; S91-I95 WeakPolarHBondContact O-CG1 3.25Å; S91-I95 PolarHBondContact O-N 3.42Å; I95-Q97 VanDerWaalsContact C-N 3.34Å; I95-Q97 PolarHBondContact O-N 2.72Å; I95-L98 PolarHBondContact O-N 3.4Å; I95-L99 HydrophobicContact CG2-CD1 4.02Å; I95-L99 HydrophobicContact CG2-CG 4.38Å; I95-L99 WeakPolarHBondContact O-CB 3.33Å; I95-L99 VanDerWaalsContact O-CG 3.3Å; I95-L99 WeakPolarHBondContact O-CG 3.28Å; I95-L99 PolarHBondContact O-N 2.98Å; I95-L137 HydrophobicContact CD1-CD1 3.41Å; I95-L137 VanDerWaalsContact CD1-CD1 3.41Å; I95-L137 HydrophobicContact CD1-CD2 4.08Å; I95-L137 HydrophobicContact CD1-CG 3.68Å; I95-L138 HydrophobicContact CG2-CD2 3.96Å; I95-Y141 HydrophobicContact CD1-CG 4.24Å; I95-Y141 HydrophobicContact CG1-CD1 4.31Å; I95-Y141 HydrophobicContact CG1-CD2 4.28Å; I95-Y141 HydrophobicContact CG1-CG 4.15Å
96Q97.6Very high96.3Very high113 Ų11348.7 Ų48.753%0.52825%0.247SC..Hα-helixtrans-61.1-43.5177.5-177.9179.1-1000111.9P92 F93 K94 L99 Q100P92-Q96 PolarHBondContact O-N 2.91Å; F93-Q96 PolarHBondContact O-N 2.76Å; K94-Q96 VanDerWaalsContact C-N 3.32Å; K94-Q96 PolarHBondContact O-N 2.98Å; Q96-L99 PolarHBondContact O-N 3.34Å; Q96-Q100 VanDerWaalsContact O-CG 3.3Å; Q96-Q100 WeakPolarHBondContact O-CG 3.36Å; Q96-Q100 PolarHBondContact O-N 2.88Å
97Q98Very high96.3Very high54 Ų5451.7 Ų51.725%0.25227%0.266SS..Hα-helixtrans-60.9-48.2176.6-174.1-173-0.900111.4F93 K94 I95 L99 Q100 D101F93-Q97 PolarHBondContact O-N 3.19Å; K94-Q97 VanDerWaalsContact NZ-OE1 3.1Å; K94-Q97 PolarHBondContact O-N 3.44Å; I95-Q97 VanDerWaalsContact C-N 3.34Å; I95-Q97 PolarHBondContact O-N 2.72Å; Q97-L99 PolarHBondContact O-N 3.44Å; Q97-Q100 WeakPolarHBondContact O-CB 3.45Å; Q97-Q100 PolarHBondContact O-N 3.11Å; Q97-Q100 VanDerWaalsContact O-N 3.16Å; Q97-D101 PolarHBondContact O-N 2.96Å
98L98.5Very high96.4Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-63.7-40.6-179.7-70.2167.4000112.1T74 E77 E78 L81 K94 I95 Q100 D101 L102 L137T74-L98 HydrophobicContact CG2-CD2 3.89Å; E77-L98 HydrophobicContact CB-CD2 3.78Å; E78-L98 HydrophobicContact CG-CD1 3.77Å; E78-L98 HydrophobicContact CG-CD2 4.48Å; L81-L98 HydrophobicContact CD1-CD1 3.62Å; K94-L98 HydrophobicContact CG-CD1 4.11Å; K94-L98 HydrophobicContact CG-CG 4.49Å; K94-L98 VanDerWaalsContact O-CG 3.3Å; K94-L98 WeakPolarHBondContact O-CG 3.43Å; K94-L98 PolarHBondContact O-N 3.36Å; I95-L98 PolarHBondContact O-N 3.4Å; L98-Q100 VanDerWaalsContact C-N 3.3Å; L98-Q100 PolarHBondContact O-N 2.96Å; L98-D101 PolarHBondContact O-N 2.67Å; L98-L102 WeakPolarHBondContact O-CB 3.35Å; L98-L102 VanDerWaalsContact O-CG 3.3Å; L98-L102 WeakPolarHBondContact O-CG 3.5Å; L98-L102 PolarHBondContact O-N 2.92Å; L98-L137 HydrophobicContact CB-CD2 3.66Å; L98-L137 HydrophobicContact CD1-CD2 4.07Å
99L98.6Very high96.6Very high28 Ų2845.2 Ų45.215%0.14723%0.233CC..Hα-helixtrans-63.2-37174.3-72.1176.4000112.3I95 Q96 Q97 T103 R134 L137 L138 Y169I95-L99 HydrophobicContact CG2-CD1 4.02Å; I95-L99 HydrophobicContact CG2-CG 4.38Å; I95-L99 WeakPolarHBondContact O-CB 3.33Å; I95-L99 VanDerWaalsContact O-CG 3.3Å; I95-L99 WeakPolarHBondContact O-CG 3.28Å; I95-L99 PolarHBondContact O-N 2.98Å; Q96-L99 PolarHBondContact O-N 3.34Å; Q97-L99 PolarHBondContact O-N 3.44Å; L99-T103 VanDerWaalsContact O-CB 3.32Å; L99-T103 WeakPolarHBondContact O-CB 3.44Å; L99-T103 PolarHBondContact O-N 3.21Å; L99-T103 PolarHBondContact O-OG1 2.71Å; L99-R134 HydrophobicContact CD2-CB 3.85Å; L99-R134 HydrophobicContact CD2-CG 3.82Å; L99-L137 HydrophobicContact CD2-CD2 4.41Å; L99-L138 HydrophobicContact CD1-CD1 4.28Å; L99-L138 HydrophobicContact CD1-CD2 3.93Å; L99-L138 HydrophobicContact CD1-CG 4.27Å; L99-L138 HydrophobicContact CD2-CD1 4.41Å; L99-L138 HydrophobicContact CD2-CG 4.31Å; L99-Y169 HydrophobicContact CD2-CE2 4.27Å
100Q98.3Very high96.7Very high113 Ų11339.9 Ų39.953%0.52821%0.212SC..Hα-helixtrans-66-47.1174.4-74.3174.8-200111.1Q96 Q97 L98 L102 T103 E104Q96-Q100 VanDerWaalsContact O-CG 3.3Å; Q96-Q100 WeakPolarHBondContact O-CG 3.36Å; Q96-Q100 PolarHBondContact O-N 2.88Å; Q97-Q100 WeakPolarHBondContact O-CB 3.45Å; Q97-Q100 PolarHBondContact O-N 3.11Å; Q97-Q100 VanDerWaalsContact O-N 3.16Å; L98-Q100 VanDerWaalsContact C-N 3.3Å; L98-Q100 PolarHBondContact O-N 2.96Å; Q100-L102 VanDerWaalsContact C-N 3.35Å; Q100-L102 PolarHBondContact O-N 2.96Å; Q100-T103 PolarHBondContact O-N 3.35Å; Q100-T103 VanDerWaalsContact O-N 3.09Å; Q100-E104 PolarHBondContact O-N 3.27Å
101D98.2Very high96.6Very high38 Ų3842.5 Ų42.520%0.20321%0.214CC..Hα-helixtrans-59.6-44.9177.5-69.6-12.8000110.9K22 I70 T74 Q97 L98 T103 E104 P105K22-D101 IonicContact NZ-OD2 2.64Å; K22-D101 PolarHBondContact NZ-OD2 3.4Å; I70-D101 WeakPolarHBondContact CG2-O 3.32Å; T74-D101 HydrophobicContact CG2-CB 3.98Å; Q97-D101 PolarHBondContact O-N 2.96Å; L98-D101 PolarHBondContact O-N 2.67Å; D101-T103 VanDerWaalsContact C-N 3.27Å; D101-T103 PolarHBondContact O-N 3.46Å; D101-E104 WeakPolarHBondContact O-CB 3.3Å; D101-E104 PolarHBondContact O-N 3.21Å; D101-P105 VanDerWaalsContact O-CD 3.28Å; D101-P105 WeakPolarHBondContact O-CD 3.39Å
102L98.6Very high96.4Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-69.6-18176.3-70.9169.9000114.2I70 L71 T74 L98 Q100 L130 R133 R134I70-L102 HydrophobicContact CG2-CD2 4.43Å; L71-L102 HydrophobicContact CD2-CD2 4.03Å; T74-L102 HydrophobicContact CG2-CD2 4.25Å; T74-L102 HydrophobicContact CG2-CG 4.21Å; T74-L102 WeakPolarHBondContact OG1-CD2 3.32Å; L98-L102 WeakPolarHBondContact O-CB 3.35Å; L98-L102 VanDerWaalsContact O-CG 3.3Å; L98-L102 WeakPolarHBondContact O-CG 3.5Å; L98-L102 PolarHBondContact O-N 2.92Å; Q100-L102 VanDerWaalsContact C-N 3.35Å; Q100-L102 PolarHBondContact O-N 2.96Å; L102-L130 HydrophobicContact CD2-CD2 4.22Å; L102-L130 WeakPolarHBondContact O-CD2 3.39Å; L102-R133 HydrophobicContact CD1-CB 4.16Å; L102-R133 HydrophobicContact CD2-CB 4.18Å; L102-R134 HydrophobicContact CB-CG 3.59Å; L102-R134 HydrophobicContact CD1-CG 3.76Å; L102-R134 HydrophobicContact CG-CG 4.32Å
103T98.3Very high96.3Very high38 Ų3840.2 Ų40.223%0.23320%0.2CC..Hα-helixtrans-91.4-24.2176.2-59.10000111.7L99 Q100 D101 P105 E106 V107L99-T103 VanDerWaalsContact O-CB 3.32Å; L99-T103 WeakPolarHBondContact O-CB 3.44Å; L99-T103 PolarHBondContact O-N 3.21Å; L99-T103 PolarHBondContact O-OG1 2.71Å; Q100-T103 PolarHBondContact O-N 3.35Å; Q100-T103 VanDerWaalsContact O-N 3.09Å; D101-T103 VanDerWaalsContact C-N 3.27Å; D101-T103 PolarHBondContact O-N 3.46Å; T103-P105 VanDerWaalsContact C-CD 3.46Å; T103-E106 PolarHBondContact O-N 2.67Å; T103-V107 HydrophobicContact CG2-CG2 4.02Å; T103-V107 PolarHBondContact O-N 3.29Å
104E97.5Very high96Very high25 Ų2538.2 Ų38.212%0.11720%0.202CC..Hα-helixtrans-51.4-46.7-177.2-157.2-74.716900113R15 Y66 I70 Q100 D101 E106 V107 L108R15-E104 IonicContact CZ-OE1 3.01Å; R15-E104 IonicContact NE-OE1 2.71Å; R15-E104 PolarHBondContact NE-OE1 3.46Å; R15-E104 IonicContact NH2-OE1 3.16Å; Y66-E104 WeakPolarHBondContact CE1-OE2 3.26Å; Y66-E104 VanDerWaalsContact OH-CD 3.26Å; Y66-E104 PolarHBondContact OH-OE2 3.26Å; Y66-E104 VanDerWaalsContact OH-OE2 3.07Å; I70-E104 HydrophobicContact CD1-CB 4.47Å; Q100-E104 PolarHBondContact O-N 3.27Å; D101-E104 WeakPolarHBondContact O-CB 3.3Å; D101-E104 PolarHBondContact O-N 3.21Å; E104-E106 VanDerWaalsContact C-N 3.33Å; E104-E106 PolarHBondContact O-N 2.92Å; E104-V107 CarbonylContact O-C 3.58Å; E104-V107 WeakPolarHBondContact O-CB 3.44Å; E104-V107 PolarHBondContact O-N 2.88Å; E104-L108 WeakPolarHBondContact O-CB 3.37Å; E104-L108 PolarHBondContact O-N 3.03Å
105P97.3Very high95.8Very high0 Ų041.2 Ų41.20%023%0.234CC..Hα-helixtrans-57.5-41.3-177.4-27.934.9000114.3T67 I70 D101 T103 L108 A109 L122 L130T67-P105 HydrophobicContact CG2-CB 3.87Å; T67-P105 HydrophobicContact CG2-CG 3.84Å; T67-P105 WeakPolarHBondContact OG1-CB 3.24Å; I70-P105 HydrophobicContact CD1-CG 3.72Å; I70-P105 HydrophobicContact CG2-CG 4.44Å; D101-P105 VanDerWaalsContact O-CD 3.28Å; D101-P105 WeakPolarHBondContact O-CD 3.39Å; T103-P105 VanDerWaalsContact C-CD 3.46Å; P105-L108 PolarHBondContact O-N 3.5Å; P105-A109 VanDerWaalsContact O-CB 3.26Å; P105-A109 WeakPolarHBondContact O-CB 3.28Å; P105-A109 PolarHBondContact O-N 3.5Å; P105-L122 HydrophobicContact CB-CD1 4.26Å; P105-L130 HydrophobicContact CB-CD1 3.98Å; P105-L130 HydrophobicContact CG-CD1 4.29Å; P105-L130 HydrophobicContact CG-CD2 4.2Å
106E97Very high95.5Very high26 Ų2645.6 Ų45.612%0.12125%0.254CS..Hα-helixtrans-66.2-42.6177.9-66.7-176.6-93.200110.9T103 E104 A109 G110 V118 L122 L127 L130 Y131 R134T103-E106 PolarHBondContact O-N 2.67Å; E104-E106 VanDerWaalsContact C-N 3.33Å; E104-E106 PolarHBondContact O-N 2.92Å; E106-A109 PolarHBondContact O-N 3.36Å; E106-G110 PolarHBondContact O-N 3.39Å; E106-V118 HydrophobicContact CB-CG1 4.14Å; E106-V118 HydrophobicContact CG-CG1 4.08Å; E106-L122 HydrophobicContact CG-CD1 4.2Å; E106-L127 HydrophobicContact CG-CD1 3.9Å; E106-L127 WeakPolarHBondContact OE2-CD1 3.45Å; E106-L130 HydrophobicContact CG-CD1 4.2Å; E106-Y131 VanDerWaalsContact OE2-CZ 3.24Å; E106-Y131 PolarHBondContact OE2-OH 3.13Å; E106-R134 IonicContact OE1-CZ 3.85Å; E106-R134 IonicContact OE1-NH1 2.57Å; E106-R134 PolarHBondContact OE1-NH1 3.48Å; E106-R134 IonicContact OE1-NH2 2.7Å; E106-R134 PolarHBondContact OE1-NH2 2.95Å
107V96.4Very high95.2Very high65 Ų6546.8 Ų46.839%0.39426%0.26SS..Hα-helixtrans-64.3-43.7178.2175.70000110.2T103 E104 G110 R111T103-V107 HydrophobicContact CG2-CG2 4.02Å; T103-V107 PolarHBondContact O-N 3.29Å; E104-V107 CarbonylContact O-C 3.58Å; E104-V107 WeakPolarHBondContact O-CB 3.44Å; E104-V107 PolarHBondContact O-N 2.88Å; V107-G110 PolarHBondContact O-N 3.3Å; V107-R111 WeakPolarHBondContact O-CG 3.49Å; V107-R111 PolarHBondContact O-N 3.18Å
108L95.1Very high95Very high0 Ų046.1 Ų46.10%026%0.259CS..Hα-helixtrans-67.7-43179.6-169.461.8000111.2E11 L12 R15 L63 Y66 E104 P105 G110 R111 L112E11-L108 HydrophobicContact CG-CD1 4.12Å; E11-L108 WeakPolarHBondContact OE1-CD1 3.43Å; L12-L108 HydrophobicContact CD1-CD2 3.75Å; R15-L108 HydrophobicContact CG-CD2 4.35Å; L63-L108 HydrophobicContact CD2-CD2 3.89Å; L63-L108 HydrophobicContact CD2-CG 3.99Å; Y66-L108 HydrophobicContact CD1-CD2 4.17Å; Y66-L108 HydrophobicContact CE1-CD2 3.81Å; E104-L108 WeakPolarHBondContact O-CB 3.37Å; E104-L108 PolarHBondContact O-N 3.03Å; P105-L108 PolarHBondContact O-N 3.5Å; L108-G110 VanDerWaalsContact C-N 3.35Å; L108-G110 PolarHBondContact O-N 2.85Å; L108-R111 PolarHBondContact O-N 3.31Å; L108-L112 HydrophobicContact CD1-CD1 3.81Å; L108-L112 HydrophobicContact CD1-CD2 4.47Å; L108-L112 HydrophobicContact CD1-CG 3.94Å; L108-L112 HydrophobicContact CD2-CD1 4.4Å; L108-L112 HydrophobicContact CG-CD1 3.78Å; L108-L112 HydrophobicContact CG-CG 4.18Å; L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CG 3.4Å; L108-L112 PolarHBondContact O-N 3.09Å
109A94.6Very high94.7Very high1 Ų149.1 Ų49.11%0.00827%0.273CS..Hα-helixtrans-58.2-45.7173.600000111.7L63 P105 E106 R111 L112 A113 V118 V121 L122L63-A109 HydrophobicContact CD1-CB 4.2Å; P105-A109 VanDerWaalsContact O-CB 3.26Å; P105-A109 WeakPolarHBondContact O-CB 3.28Å; P105-A109 PolarHBondContact O-N 3.5Å; E106-A109 PolarHBondContact O-N 3.36Å; A109-R111 VanDerWaalsContact C-N 3.3Å; A109-R111 PolarHBondContact O-N 2.96Å; A109-L112 PolarHBondContact O-N 3.06Å; A109-A113 PolarHBondContact O-N 3.07Å; A109-V118 HydrophobicContact CB-CG1 4.26Å; A109-V121 HydrophobicContact CB-CB 4.41Å; A109-V121 HydrophobicContact CB-CG1 4.11Å; A109-L122 HydrophobicContact CB-CD1 4.47Å; A109-L122 HydrophobicContact CB-CD2 4.23Å; A109-L122 HydrophobicContact CB-CG 4.16Å
110G93.6Very high94.4Very high32 Ų3251.5 Ų51.533%0.3329%0.292SS..Hα-helixtrans-63.3-32.5176.700000113.9E106 V107 L108 P114E106-G110 PolarHBondContact O-N 3.39Å; V107-G110 PolarHBondContact O-N 3.3Å; L108-G110 VanDerWaalsContact C-N 3.35Å; L108-G110 PolarHBondContact O-N 2.85Å; G110-P114 WeakPolarHBondContact O-CA 3.35Å
111R92.4Very high94.2Very high107 Ų10746.1 Ų46.140%0.40427%0.267SS..Hα-helixtrans-78-42.2176.2-72.8-160.9-60-102.1-8.3113.2E11 V107 L108 A109E11-R111 IonicContact OE1-CZ 3.47Å; E11-R111 IonicContact OE1-NE 2.68Å; E11-R111 PolarHBondContact OE1-NE 3.33Å; E11-R111 IonicContact OE1-NH2 3.09Å; E11-R111 PolarHBondContact OE1-NH2 3.16Å; V107-R111 WeakPolarHBondContact O-CG 3.49Å; V107-R111 PolarHBondContact O-N 3.18Å; L108-R111 PolarHBondContact O-N 3.31Å; A109-R111 VanDerWaalsContact C-N 3.3Å; A109-R111 PolarHBondContact O-N 2.96Å
112L90.9Very high94.1Very high4 Ų444.3 Ų44.32%0.02126%0.257CS..Hα-helixtrans-84.3-24.7-174.6-61.2-175.1000112.9Q8 E11 L12 L59 L63 L108 A109 P114Q8-L112 HydrophobicContact CB-CD2 3.79Å; Q8-L112 HydrophobicContact CG-CD2 3.83Å; Q8-L112 PolarHBondContact NE2-O 2.98Å; E11-L112 HydrophobicContact CB-CD2 4.41Å; L12-L112 HydrophobicContact CB-CD1 3.99Å; L12-L112 HydrophobicContact CD2-CD1 4.45Å; L59-L112 HydrophobicContact CD1-CB 4.49Å; L59-L112 HydrophobicContact CD1-CD1 4.27Å; L59-L112 HydrophobicContact CD2-CB 4.16Å; L63-L112 HydrophobicContact CD2-CD1 4.19Å; L108-L112 HydrophobicContact CD1-CD1 3.81Å; L108-L112 HydrophobicContact CD1-CD2 4.47Å; L108-L112 HydrophobicContact CD1-CG 3.94Å; L108-L112 HydrophobicContact CD2-CD1 4.4Å; L108-L112 HydrophobicContact CG-CD1 3.78Å; L108-L112 HydrophobicContact CG-CG 4.18Å; L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CG 3.4Å; L108-L112 PolarHBondContact O-N 3.09Å; A109-L112 PolarHBondContact O-N 3.06Å; L112-P114 VanDerWaalsContact C-CD 3.5Å
113A90.6Very high93.9Very high7 Ų745.4 Ų45.46%0.05827%0.268CS..  trans-131.160.2178.400000111.8L59 A109 A115 Q116 V121L59-A113 HydrophobicContact CD2-CB 4.28Å; A109-A113 PolarHBondContact O-N 3.07Å; A113-A115 PolarHBondContact O-N 3.04Å; A113-Q116 HydrophobicContact CB-CB 4.33Å; A113-Q116 PolarHBondContact O-N 2.8Å; A113-V121 HydrophobicContact CB-CG2 3.82Å
114P90.4Very high93.6Very high103 Ų10347 Ų4767%0.66928%0.275SS*.THydrogen-bonded Turntrans-65.1-16.5-172.527.6-36.5000114.4G110 L112G110-P114 WeakPolarHBondContact O-CA 3.35Å; L112-P114 VanDerWaalsContact C-CD 3.5Å
115A91.8Very high93.4Very high104 Ų10452.8 Ų52.886%0.8630%0.302SS*.THydrogen-bonded Turntrans-89.1-3.6176.800000113.6A113A113-A115 PolarHBondContact O-N 3.04Å
116Q91.1Very high93.4Very high99 Ų9954.1 Ų54.146%0.46331%0.31SS..SBendtrans-117.5147.3-179.7-66.5-18073.200109.8A113 V121A113-Q116 HydrophobicContact CB-CB 4.33Å; A113-Q116 PolarHBondContact O-N 2.8Å; Q116-V121 HydrophobicContact CB-CG2 3.72Å
117E92.2Very high93.3Very high139 Ų13953.4 Ų53.465%0.6531%0.307SS*.  trans-66.2140.6169.6-63.8-173.5165.400109.7Q119 S120 V121E117-Q119 PolarHBondContact O-N 3.42Å; E117-Q119 VanDerWaalsContact O-N 3.13Å; E117-S120 WeakPolarHBondContact O-CA 3.41Å; E117-S120 WeakPolarHBondContact O-CB 3.45Å; E117-S120 PolarHBondContact O-N 2.89Å; E117-V121 PolarHBondContact O-N 2.9Å
118V93.2Very high93.3Very high39 Ų3951 Ų5124%0.23629%0.292CS..Hα-helixtrans-53.1-38.3178.7173.30000111.1E106 A109 S120 V121 L122 L127E106-V118 HydrophobicContact CB-CG1 4.14Å; E106-V118 HydrophobicContact CG-CG1 4.08Å; A109-V118 HydrophobicContact CB-CG1 4.26Å; V118-S120 VanDerWaalsContact C-N 3.34Å; V118-S120 PolarHBondContact O-N 3.33Å; V118-V121 PolarHBondContact O-N 3.35Å; V118-V121 VanDerWaalsContact O-N 3.16Å; V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.16Å; V118-L122 PolarHBondContact O-N 2.78Å; V118-L127 HydrophobicContact CG1-CD1 4.36Å
119Q92.9Very high93.4Very high64 Ų6453.1 Ų53.130%0.29931%0.306SS..Hα-helixtrans-62-37.1175.9-174.1179.9-60.400113.2E117 V121 G123 L124 L127 V176E117-Q119 PolarHBondContact O-N 3.42Å; E117-Q119 VanDerWaalsContact O-N 3.13Å; Q119-V121 VanDerWaalsContact C-N 3.27Å; Q119-V121 PolarHBondContact O-N 2.9Å; Q119-G123 WeakPolarHBondContact O-CA 3.45Å; Q119-G123 PolarHBondContact O-N 3.5Å; Q119-L124 VanDerWaalsContact CD-CD2 3.41Å; Q119-L124 HydrophobicContact CG-CD2 3.75Å; Q119-L124 HydrophobicContact CG-CG 4.4Å; Q119-L124 VanDerWaalsContact NE2-CD2 3.31Å; Q119-L127 HydrophobicContact CB-CD2 3.81Å; Q119-L127 HydrophobicContact CG-CD2 4.12Å; Q119-V176 PolarHBondContact OE1-O 3.49Å
120S91.9Very high93.6Very high77 Ų7753.1 Ų53.154%0.53831%0.306SS..Hα-helixtrans-69.6-27176.4-52.90000112.4E117 V118E117-S120 WeakPolarHBondContact O-CA 3.41Å; E117-S120 WeakPolarHBondContact O-CB 3.45Å; E117-S120 PolarHBondContact O-N 2.89Å; V118-S120 VanDerWaalsContact C-N 3.34Å; V118-S120 PolarHBondContact O-N 3.33Å
121V94.1Very high93.8Very high1 Ų152.6 Ų52.61%0.00629%0.294CS..Hα-helixtrans-85.6-52.7-179.2-179.20000111.2P60 L63 Q64 A109 A113 Q116 E117 V118 Q119P60-V121 HydrophobicContact CB-CG1 4.44Å; P60-V121 WeakPolarHBondContact CB-O 3.4Å; L63-V121 HydrophobicContact CB-CG1 4.35Å; L63-V121 HydrophobicContact CD1-CG1 3.44Å; L63-V121 VanDerWaalsContact CD1-CG1 3.44Å; Q64-V121 PolarHBondContact NE2-O 3.31Å; A109-V121 HydrophobicContact CB-CB 4.41Å; A109-V121 HydrophobicContact CB-CG1 4.11Å; A113-V121 HydrophobicContact CB-CG2 3.82Å; Q116-V121 HydrophobicContact CB-CG2 3.72Å; E117-V121 PolarHBondContact O-N 2.9Å; V118-V121 PolarHBondContact O-N 3.35Å; V118-V121 VanDerWaalsContact O-N 3.16Å; Q119-V121 VanDerWaalsContact C-N 3.27Å; Q119-V121 PolarHBondContact O-N 2.9Å
122L95.5Very high94.1Very high0 Ų049.4 Ų49.40%028%0.282CS..Hα-helixtrans-80.7-24.7-177.8-62.5-175.7000112.6L63 Q64 P105 E106 A109 V118 V126 L130L63-L122 HydrophobicContact CB-CD2 4.11Å; Q64-L122 WeakPolarHBondContact CG-O 3.47Å; Q64-L122 PolarHBondContact NE2-O 3.14Å; P105-L122 HydrophobicContact CB-CD1 4.26Å; E106-L122 HydrophobicContact CG-CD1 4.2Å; A109-L122 HydrophobicContact CB-CD1 4.47Å; A109-L122 HydrophobicContact CB-CD2 4.23Å; A109-L122 HydrophobicContact CB-CG 4.16Å; V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.16Å; V118-L122 PolarHBondContact O-N 2.78Å; L122-V126 HydrophobicContact CB-CG1 4.38Å; L122-V126 WeakPolarHBondContact O-CB 3.34Å; L122-L130 HydrophobicContact CD1-CD1 4.03Å
123G94.3Very high94.5Very high22 Ų2250.5 Ų50.523%0.22729%0.286CS..  trans81.9159.3-171.900000112.6Q119 L127Q119-G123 WeakPolarHBondContact O-CA 3.45Å; Q119-G123 PolarHBondContact O-N 3.5Å; G123-L127 WeakPolarHBondContact O-CB 3.35Å; G123-L127 PolarHBondContact O-N 3.01Å; G123-L127 VanDerWaalsContact O-N 3.16Å
124L93.2Very high94.9Very high72 Ų7250.3 Ų50.338%0.37728%0.284SS..Hα-helixtrans-61.6-49.9-175.5-71.1168.7000112.4Q119 V126 L127 E128 V176 R177Q119-L124 VanDerWaalsContact CD-CD2 3.41Å; Q119-L124 HydrophobicContact CG-CD2 3.75Å; Q119-L124 HydrophobicContact CG-CG 4.4Å; Q119-L124 VanDerWaalsContact NE2-CD2 3.31Å; L124-V126 PolarHBondContact O-N 3.47Å; L124-L127 PolarHBondContact O-N 3.39Å; L124-E128 WeakPolarHBondContact O-CB 3.27Å; L124-E128 PolarHBondContact O-N 3.34Å; L124-V176 HydrophobicContact CB-CG1 4.4Å; L124-V176 HydrophobicContact CD2-CG1 3.7Å; L124-V176 VanDerWaalsContact CD2-O 3.22Å; L124-V176 WeakPolarHBondContact CD2-O 3.15Å; L124-R177 HydrophobicContact CD2-CG 4.41Å
125E93.6Very high95.3Very high147 Ų14745.4 Ų45.469%0.68725%0.252SS*.Hα-helixtrans-63.4-44-173.6-62.8180173.500112.2C129E125-C129 VanDerWaalsContact O-CB 3.26Å; E125-C129 WeakPolarHBondContact O-CB 2.97Å; E125-C129 PolarHBondContact O-N 2.75Å
126V95.8Very high95.6Very high28 Ų2841 Ų4117%0.1722%0.216CC..Hα-helixtrans-66.9-44.8178.9177.20000110.5T67 L122 L124 C129 L130T67-V126 HydrophobicContact CG2-CG1 3.32Å; L122-V126 HydrophobicContact CB-CG1 4.38Å; L122-V126 WeakPolarHBondContact O-CB 3.34Å; L124-V126 PolarHBondContact O-N 3.47Å; V126-C129 WeakPolarHBondContact O-CB 3.49Å; V126-C129 PolarHBondContact O-N 3.4Å; V126-L130 HydrophobicContact CG1-CD1 4.47Å; V126-L130 WeakPolarHBondContact O-CG 3.46Å; V126-L130 PolarHBondContact O-N 3.29Å
127L96.4Very high95.9Very high11 Ų1136.5 Ų36.56%0.05820%0.195CC..Hα-helixtrans-65.1-43.1-179.9-174.960.3000111.9E106 V118 Q119 G123 L124 C129 L130 Y131 V176E106-L127 HydrophobicContact CG-CD1 3.9Å; E106-L127 WeakPolarHBondContact OE2-CD1 3.45Å; V118-L127 HydrophobicContact CG1-CD1 4.36Å; Q119-L127 HydrophobicContact CB-CD2 3.81Å; Q119-L127 HydrophobicContact CG-CD2 4.12Å; G123-L127 WeakPolarHBondContact O-CB 3.35Å; G123-L127 PolarHBondContact O-N 3.01Å; G123-L127 VanDerWaalsContact O-N 3.16Å; L124-L127 PolarHBondContact O-N 3.39Å; L127-C129 VanDerWaalsContact C-N 3.33Å; L127-C129 PolarHBondContact O-N 2.85Å; L127-L130 PolarHBondContact O-N 3.09Å; L127-Y131 HydrophobicContact CD1-CD2 4.13Å; L127-Y131 HydrophobicContact CD1-CE2 3.57Å; L127-Y131 HydrophobicContact CD2-CE2 4.3Å; L127-Y131 HydrophobicContact CG-CD2 4.05Å; L127-Y131 HydrophobicContact CG-CE2 3.71Å; L127-Y131 VanDerWaalsContact O-CD2 3.25Å; L127-Y131 WeakPolarHBondContact O-CD2 3.07Å; L127-Y131 PolarHBondContact O-N 3.15Å; L127-Y131 VanDerWaalsContact O-N 3.11Å; L127-V176 HydrophobicContact CB-CG1 4.28Å; L127-V176 HydrophobicContact CD2-CG1 4.28Å; L127-V176 HydrophobicContact CG-CG1 4.37Å; L127-V176 HydrophobicContact CG-CG2 4.25Å
128E96Very high96.2Very high15 Ų1530 Ų307%0.0716%0.164CC..Hα-helixtrans-58.3-45.8172.7-173.5-174.4126.900111L124 L130 Y131 W132 M173 V176 R177 H206L124-E128 WeakPolarHBondContact O-CB 3.27Å; L124-E128 PolarHBondContact O-N 3.34Å; E128-L130 PolarHBondContact O-N 2.66Å; E128-Y131 PolarHBondContact O-N 3.15Å; E128-W132 WeakPolarHBondContact O-CB 3.22Å; E128-W132 PolarHBondContact O-N 2.82Å; E128-M173 HydrophobicContact CG-CE 3.49Å; E128-M173 VanDerWaalsContact CG-CE 3.49Å; E128-M173 HydrophobicContact CG-CG 3.75Å; E128-M173 HydrophobicContact CG-SD 4.19Å; E128-M173 WeakPolarHBondContact OE1-CE 3.36Å; E128-V176 HydrophobicContact CB-CB 4.24Å; E128-V176 HydrophobicContact CB-CG1 4.19Å; E128-V176 HydrophobicContact CB-CG2 4.3Å; E128-R177 IonicContact OE1-NH2 2.99Å; E128-R177 IonicContact OE2-CZ 3.62Å; E128-R177 VanDerWaalsContact OE2-CZ 3.22Å; E128-R177 IonicContact OE2-NE 3.7Å; E128-R177 PolarHBondContact OE2-NE 3.16Å; E128-R177 IonicContact OE2-NH2 3.22Å; E128-R177 PolarHBondContact OE2-NH2 3.45Å; E128-H206 IonicContact OE1-CE1 2.85Å; E128-H206 PolarHBondContact OE1-CE1 3.45Å; E128-H206 IonicContact OE1-ND1 3.84Å; E128-H206 IonicContact OE1-NE2 3.74Å; E128-H206 IonicContact OE2-CE1 3.93Å
129C97.7Very high96.5Very high44 Ų4428.8 Ų28.830%0.29716%0.156SC..Hα-helixtrans-60.5-44.7176.3-172.60000111.9E125 V126 L127 Y131 W132 R133E125-C129 VanDerWaalsContact O-CB 3.26Å; E125-C129 WeakPolarHBondContact O-CB 2.97Å; E125-C129 PolarHBondContact O-N 2.75Å; V126-C129 WeakPolarHBondContact O-CB 3.49Å; V126-C129 PolarHBondContact O-N 3.4Å; L127-C129 VanDerWaalsContact C-N 3.33Å; L127-C129 PolarHBondContact O-N 2.85Å; C129-Y131 VanDerWaalsContact C-N 3.34Å; C129-Y131 PolarHBondContact O-N 3.49Å; C129-W132 WeakPolarHBondContact O-CB 3.31Å; C129-W132 PolarHBondContact O-N 2.75Å; C129-R133 WeakPolarHBondContact O-CB 3.04Å; C129-R133 WeakPolarHBondContact O-CG 3.35Å; C129-R133 PolarHBondContact O-N 2.7Å
130L98.4Very high96.7Very high0 Ų028.4 Ų28.40%015%0.154CC..Hα-helixtrans-60-43.9177.4-70.5171.4000111.9T67 L71 L102 P105 E106 L122 V126 L127 E128 R134T67-L130 HydrophobicContact CG2-CD1 3.93Å; T67-L130 HydrophobicContact CG2-CD2 3.89Å; T67-L130 HydrophobicContact CG2-CG 4.12Å; L71-L130 HydrophobicContact CD2-CD2 3.8Å; L71-L130 HydrophobicContact CG-CD2 4.29Å; L102-L130 HydrophobicContact CD2-CD2 4.22Å; L102-L130 WeakPolarHBondContact O-CD2 3.39Å; P105-L130 HydrophobicContact CB-CD1 3.98Å; P105-L130 HydrophobicContact CG-CD1 4.29Å; P105-L130 HydrophobicContact CG-CD2 4.2Å; E106-L130 HydrophobicContact CG-CD1 4.2Å; L122-L130 HydrophobicContact CD1-CD1 4.03Å; V126-L130 HydrophobicContact CG1-CD1 4.47Å; V126-L130 WeakPolarHBondContact O-CG 3.46Å; V126-L130 PolarHBondContact O-N 3.29Å; L127-L130 PolarHBondContact O-N 3.09Å; E128-L130 PolarHBondContact O-N 2.66Å; L130-R134 WeakPolarHBondContact O-CG 3.47Å; L130-R134 PolarHBondContact O-N 3Å; L130-R134 PolarHBondContact O-NE 2.88Å
131Y98.4Very high97Very high22 Ų2225.1 Ų25.19%0.08613%0.13CC..Hα-helixtrans-66.9-44177.2-76.4-54.4000112.1E106 L127 E128 C129 R133 R134 G135 Y169 R172 V176E106-Y131 VanDerWaalsContact OE2-CZ 3.24Å; E106-Y131 PolarHBondContact OE2-OH 3.13Å; L127-Y131 HydrophobicContact CD1-CD2 4.13Å; L127-Y131 HydrophobicContact CD1-CE2 3.57Å; L127-Y131 HydrophobicContact CD2-CE2 4.3Å; L127-Y131 HydrophobicContact CG-CD2 4.05Å; L127-Y131 HydrophobicContact CG-CE2 3.71Å; L127-Y131 VanDerWaalsContact O-CD2 3.25Å; L127-Y131 WeakPolarHBondContact O-CD2 3.07Å; L127-Y131 PolarHBondContact O-N 3.15Å; L127-Y131 VanDerWaalsContact O-N 3.11Å; E128-Y131 PolarHBondContact O-N 3.15Å; C129-Y131 VanDerWaalsContact C-N 3.34Å; C129-Y131 PolarHBondContact O-N 3.49Å; Y131-R133 PolarHBondContact O-N 3.32Å; Y131-R134 VanDerWaalsContact CD1-CZ 3.44Å; Y131-R134 PolarHBondContact O-N 3.02Å; Y131-G135 PolarHBondContact O-N 2.96Å; Y131-Y169 AromaticContact CD1-CD1 3.93Å; Y131-Y169 HydrophobicContact CD1-CD1 3.93Å; Y131-Y169 HydrophobicContact CE1-CD1 4.28Å; Y131-R172 HydrophobicContact CD1-CB 3.7Å; Y131-R172 HydrophobicContact CD2-CB 4.07Å; Y131-R172 HydrophobicContact CE1-CB 3.86Å; Y131-R172 HydrophobicContact CE1-CG 4.28Å; Y131-R172 HydrophobicContact CE2-CB 4.18Å; Y131-R172 HydrophobicContact CG-CB 3.86Å; Y131-R172 PolarHBondContact OH-NH1 3.35Å; Y131-V176 HydrophobicContact CD2-CG2 3.67Å; Y131-V176 HydrophobicContact CE2-CG2 4.14Å
132W98.4Very high97.1Very high40 Ų4025 Ų2515%0.15213%0.13CC..Hα-helixtrans-54.9-53173.7171.9-116.7000111.3E128 C129 R134 G135 A136 L170 M173 T205 L208 T209 Y212E128-W132 WeakPolarHBondContact O-CB 3.22Å; E128-W132 PolarHBondContact O-N 2.82Å; C129-W132 WeakPolarHBondContact O-CB 3.31Å; C129-W132 PolarHBondContact O-N 2.75Å; W132-R134 PolarHBondContact O-N 2.94Å; W132-G135 PolarHBondContact O-N 2.88Å; W132-A136 HydrophobicContact CD2-CB 4.32Å; W132-A136 HydrophobicContact CH2-CB 4.41Å; W132-A136 HydrophobicContact CZ2-CB 4.12Å; W132-A136 WeakPolarHBondContact O-CB 3.45Å; W132-A136 PolarHBondContact O-N 3.11Å; W132-L170 HydrophobicContact CE3-CD2 3.62Å; W132-L170 HydrophobicContact CZ3-CD2 3.75Å; W132-M173 HydrophobicContact CB-CG 3.96Å; W132-T205 HydrophobicContact CD2-CG2 3.47Å; W132-T205 VanDerWaalsContact CD2-CG2 3.47Å; W132-T205 HydrophobicContact CE3-CG2 3.88Å; W132-T205 HydrophobicContact CG-CG2 3.79Å; W132-T205 HydrophobicContact CH2-CG2 4.42Å; W132-T205 HydrophobicContact CZ2-CG2 4.04Å; W132-T205 HydrophobicContact CZ3-CG2 4.35Å; W132-L208 HydrophobicContact CH2-CB 4.12Å; W132-L208 HydrophobicContact CH2-CD2 3.71Å; W132-L208 HydrophobicContact CH2-CG 3.77Å; W132-L208 HydrophobicContact CZ2-CD2 3.74Å; W132-L208 HydrophobicContact CZ2-CG 4.32Å; W132-T209 HydrophobicContact CZ3-CG2 4.46Å; W132-T209 WeakPolarHBondContact CZ3-OG1 3.3Å; W132-Y212 AromaticContact CH2-CD2 3.6Å; W132-Y212 HydrophobicContact CH2-CD2 3.6Å; W132-Y212 AromaticContact CH2-CE2 3.55Å; W132-Y212 HydrophobicContact CH2-CE2 3.55Å; W132-Y212 HydrophobicContact CH2-CG 4.47Å; W132-Y212 HydrophobicContact CZ2-CE2 4.14Å; W132-Y212 AromaticContact CZ3-CD2 3.95Å; W132-Y212 HydrophobicContact CZ3-CD2 3.95Å; W132-Y212 HydrophobicContact CZ3-CE2 4.33Å
133R98.4Very high97.2Very high27 Ų2727.8 Ų27.810%0.10214%0.143CC..Hα-helixtrans-62.8-41.5-174.6-64-82.7-71.1124.123.3111.6L71 E78 L102 C129 Y131 L137L71-R133 HydrophobicContact CD2-CG 4.09Å; E78-R133 IonicContact OE1-CZ 3.88Å; E78-R133 IonicContact OE1-NH1 3.84Å; E78-R133 IonicContact OE1-NH2 2.67Å; E78-R133 PolarHBondContact OE1-NH2 3.03Å; E78-R133 IonicContact OE2-CZ 3.97Å; E78-R133 IonicContact OE2-NH1 2.71Å; E78-R133 PolarHBondContact OE2-NH1 3.44Å; E78-R133 IonicContact OE2-NH2 3.05Å; E78-R133 PolarHBondContact OE2-NH2 3.44Å; L102-R133 HydrophobicContact CD1-CB 4.16Å; L102-R133 HydrophobicContact CD2-CB 4.18Å; C129-R133 WeakPolarHBondContact O-CB 3.04Å; C129-R133 WeakPolarHBondContact O-CG 3.35Å; C129-R133 PolarHBondContact O-N 2.7Å; Y131-R133 PolarHBondContact O-N 3.32Å; R133-L137 VanDerWaalsContact O-CB 3.24Å; R133-L137 WeakPolarHBondContact O-CB 3.17Å; R133-L137 PolarHBondContact O-N 2.74Å
134R98.8Very high97.2Very high3 Ų327.9 Ų27.91%0.01114%0.139CC..Hα-helixtrans-63.8-44.9174.1-73.6173.4-76.1176.2-11.3112.5L99 L102 E106 L130 Y131 W132 L138 Y169L99-R134 HydrophobicContact CD2-CB 3.85Å; L99-R134 HydrophobicContact CD2-CG 3.82Å; L102-R134 HydrophobicContact CB-CG 3.59Å; L102-R134 HydrophobicContact CD1-CG 3.76Å; L102-R134 HydrophobicContact CG-CG 4.32Å; E106-R134 IonicContact OE1-CZ 3.85Å; E106-R134 IonicContact OE1-NH1 2.57Å; E106-R134 PolarHBondContact OE1-NH1 3.48Å; E106-R134 IonicContact OE1-NH2 2.7Å; E106-R134 PolarHBondContact OE1-NH2 2.95Å; L130-R134 WeakPolarHBondContact O-CG 3.47Å; L130-R134 PolarHBondContact O-N 3Å; L130-R134 PolarHBondContact O-NE 2.88Å; Y131-R134 VanDerWaalsContact CD1-CZ 3.44Å; Y131-R134 PolarHBondContact O-N 3.02Å; W132-R134 PolarHBondContact O-N 2.94Å; R134-L138 PolarHBondContact O-N 3.48Å; R134-Y169 HydrophobicContact CB-CD1 4.15Å; R134-Y169 HydrophobicContact CB-CD2 3.66Å; R134-Y169 HydrophobicContact CB-CE1 4.45Å; R134-Y169 HydrophobicContact CB-CE2 4.01Å; R134-Y169 HydrophobicContact CB-CG 3.74Å
135G98.6Very high97.1Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-65.4-47.1178.200000112.6Y131 W132 L138 Y139Y131-G135 PolarHBondContact O-N 2.96Å; W132-G135 PolarHBondContact O-N 2.88Å; G135-L138 PolarHBondContact O-N 2.79Å; G135-Y139 WeakPolarHBondContact O-CB 3.32Å; G135-Y139 PolarHBondContact O-N 3.27Å
136A98.5Very high96.8Very high12 Ų1219.3 Ų19.310%0.09910%0.097CC..Hα-helixtrans-63.3-41.2178.300000111.9W132 L138 Y139 M140 Y212W132-A136 HydrophobicContact CD2-CB 4.32Å; W132-A136 HydrophobicContact CH2-CB 4.41Å; W132-A136 HydrophobicContact CZ2-CB 4.12Å; W132-A136 WeakPolarHBondContact O-CB 3.45Å; W132-A136 PolarHBondContact O-N 3.11Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.47Å; A136-Y139 WeakPolarHBondContact O-CB 3.33Å; A136-Y139 PolarHBondContact O-N 3.32Å; A136-M140 VanDerWaalsContact O-CG 3.27Å; A136-M140 WeakPolarHBondContact O-CG 3.31Å; A136-M140 PolarHBondContact O-N 3.33Å; A136-Y212 HydrophobicContact CB-CE2 4.3Å
137L98.6Very high96.5Very high4 Ų424.1 Ų24.12%0.02112%0.117CC..Hα-helixtrans-58.3-46.8174.7177.655.8000111.7E78 F86 I95 L98 L99 R133 M140 Y141E78-L137 HydrophobicContact CB-CD1 4.41Å; E78-L137 HydrophobicContact CG-CD1 3.75Å; E78-L137 HydrophobicContact CG-CD2 4.14Å; E78-L137 HydrophobicContact CG-CG 4.42Å; F86-L137 HydrophobicContact CE1-CD1 4.23Å; I95-L137 HydrophobicContact CD1-CD1 3.41Å; I95-L137 VanDerWaalsContact CD1-CD1 3.41Å; I95-L137 HydrophobicContact CD1-CD2 4.08Å; I95-L137 HydrophobicContact CD1-CG 3.68Å; L98-L137 HydrophobicContact CB-CD2 3.66Å; L98-L137 HydrophobicContact CD1-CD2 4.07Å; L99-L137 HydrophobicContact CD2-CD2 4.41Å; R133-L137 VanDerWaalsContact O-CB 3.24Å; R133-L137 WeakPolarHBondContact O-CB 3.17Å; R133-L137 PolarHBondContact O-N 2.74Å; L137-M140 PolarHBondContact O-N 3.32Å; L137-Y141 WeakPolarHBondContact O-CB 3.45Å; L137-Y141 PolarHBondContact O-N 3.36Å
138L98.6Very high96.2Very high3 Ų326.4 Ų26.42%0.01613%0.125CC..Hα-helixtrans-68.2-36.8177.1-71.6175.9000112.4I95 L99 R134 G135 A136 C142 C162 E165 Y169 M216I95-L138 HydrophobicContact CG2-CD2 3.96Å; L99-L138 HydrophobicContact CD1-CD1 4.28Å; L99-L138 HydrophobicContact CD1-CD2 3.93Å; L99-L138 HydrophobicContact CD1-CG 4.27Å; L99-L138 HydrophobicContact CD2-CD1 4.41Å; L99-L138 HydrophobicContact CD2-CG 4.31Å; R134-L138 PolarHBondContact O-N 3.48Å; G135-L138 PolarHBondContact O-N 2.79Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.47Å; L138-C142 WeakPolarHBondContact O-CB 3.29Å; L138-C142 PolarHBondContact O-N 2.87Å; L138-C142 PolarHBondContact O-SG 3.39Å; L138-C162 HydrophobicContact CD2-CB 4.21Å; L138-E165 HydrophobicContact CD1-CB 3.76Å; L138-Y169 HydrophobicContact CD1-CD2 3.98Å; L138-Y169 HydrophobicContact CD1-CE2 4.06Å; L138-M216 HydrophobicContact CB-CE 4.29Å
139Y98.6Very high95.8Very high13 Ų1333.2 Ų33.25%0.05115%0.154CC..Hα-helixtrans-58.4-54172.3169.6-92.7000110.6G135 A136 Y141 C142 H143 Y212 E215 M216 W219G135-Y139 WeakPolarHBondContact O-CB 3.32Å; G135-Y139 PolarHBondContact O-N 3.27Å; A136-Y139 WeakPolarHBondContact O-CB 3.33Å; A136-Y139 PolarHBondContact O-N 3.32Å; Y139-Y141 VanDerWaalsContact C-N 3.32Å; Y139-Y141 PolarHBondContact O-N 3.18Å; Y139-C142 CarbonylContact O-C 3.58Å; Y139-C142 PolarHBondContact O-N 3.16Å; Y139-C142 VanDerWaalsContact O-N 3.16Å; Y139-H143 HydrophobicContact CE1-CB 4.26Å; Y139-H143 AromaticContact CZ-ND1 3.82Å; Y139-H143 VanDerWaalsContact O-CB 3.26Å; Y139-H143 WeakPolarHBondContact O-CB 3.3Å; Y139-H143 PolarHBondContact O-N 3.48Å; Y139-H143 PolarHBondContact OH-ND1 3.46Å; Y139-H143 VanDerWaalsContact OH-ND1 3.12Å; Y139-Y212 AromaticContact CD1-CD1 3.93Å; Y139-Y212 HydrophobicContact CD1-CD1 3.93Å; Y139-Y212 AromaticContact CD1-CD2 3.54Å; Y139-Y212 HydrophobicContact CD1-CD2 3.54Å; Y139-Y212 AromaticContact CD1-CE1 3.77Å; Y139-Y212 HydrophobicContact CD1-CE1 3.77Å; Y139-Y212 AromaticContact CD1-CE2 3.34Å; Y139-Y212 HydrophobicContact CD1-CE2 3.34Å; Y139-Y212 AromaticContact CD1-CG 3.82Å; Y139-Y212 HydrophobicContact CD1-CG 3.82Å; Y139-Y212 AromaticContact CD1-CZ 3.45Å; Y139-Y212 VanDerWaalsContact CD1-CZ 3.45Å; Y139-Y212 AromaticContact CD2-CD1 3.93Å; Y139-Y212 HydrophobicContact CD2-CD1 3.93Å; Y139-Y212 HydrophobicContact CD2-CD2 4.03Å; Y139-Y212 AromaticContact CD2-CG 3.64Å; Y139-Y212 HydrophobicContact CD2-CG 3.64Å; Y139-Y212 AromaticContact CE1-CD1 3.69Å; Y139-Y212 HydrophobicContact CE1-CD1 3.69Å; Y139-Y212 HydrophobicContact CE1-CD2 4.14Å; Y139-Y212 AromaticContact CE1-CE1 3.33Å; Y139-Y212 HydrophobicContact CE1-CE1 3.33Å; Y139-Y212 AromaticContact CE1-CE2 3.81Å; Y139-Y212 HydrophobicContact CE1-CE2 3.81Å; Y139-Y212 HydrophobicContact CE1-CG 4.08Å; Y139-Y212 AromaticContact CE1-CZ 3.38Å; Y139-Y212 AromaticContact CE2-CD1 3.69Å; Y139-Y212 HydrophobicContact CE2-CD1 3.69Å; Y139-Y212 HydrophobicContact CE2-CE1 4.19Å; Y139-Y212 AromaticContact CE2-CG 3.92Å; Y139-Y212 HydrophobicContact CE2-CG 3.92Å; Y139-Y212 HydrophobicContact CG-CD1 4.06Å; Y139-Y212 AromaticContact CG-CD2 3.49Å; Y139-Y212 HydrophobicContact CG-CD2 3.49Å; Y139-Y212 VanDerWaalsContact CG-CD2 3.49Å; Y139-Y212 HydrophobicContact CG-CE1 4.37Å; Y139-Y212 AromaticContact CG-CE2 3.83Å; Y139-Y212 HydrophobicContact CG-CE2 3.83Å; Y139-Y212 AromaticContact CG-CG 3.61Å; Y139-Y212 HydrophobicContact CG-CG 3.61Å; Y139-Y212 AromaticContact CZ-CD1 3.59Å; Y139-Y212 AromaticContact CZ-CE1 3.59Å; Y139-E215 HydrophobicContact CE2-CB 4.1Å; Y139-E215 WeakPolarHBondContact CE2-OE2 3.38Å; Y139-E215 PolarHBondContact OH-OE2 3.37Å; Y139-M216 HydrophobicContact CD2-CG 3.84Å; Y139-M216 HydrophobicContact CD2-SD 4.06Å; Y139-M216 HydrophobicContact CG-SD 4.45Å; Y139-W219 HydrophobicContact CD2-CH2 4.08Å; Y139-W219 AromaticContact CD2-CZ3 4Å; Y139-W219 HydrophobicContact CD2-CZ3 4Å; Y139-W219 AromaticContact CE2-CH2 3.45Å; Y139-W219 HydrophobicContact CE2-CH2 3.45Å; Y139-W219 VanDerWaalsContact CE2-CH2 3.45Å; Y139-W219 HydrophobicContact CE2-CZ2 4.47Å; Y139-W219 AromaticContact CE2-CZ3 3.84Å; Y139-W219 HydrophobicContact CE2-CZ3 3.84Å; Y139-W219 AromaticContact CZ-CH2 3.99Å
140M97.9Very high95.4Very high56 Ų5637.3 Ų37.328%0.27617%0.169SC..Hα-helixtrans-59.9-43.4-178.8-67.7-59.8-71.500111.3V82 F86 A136 L137 H143 T144V82-M140 HydrophobicContact CG1-CE 3.9Å; V82-M140 HydrophobicContact CG2-CB 4.45Å; V82-M140 HydrophobicContact CG2-CE 4.11Å; F86-M140 HydrophobicContact CE2-CB 3.97Å; F86-M140 HydrophobicContact CZ-CB 3.78Å; A136-M140 VanDerWaalsContact O-CG 3.27Å; A136-M140 WeakPolarHBondContact O-CG 3.31Å; A136-M140 PolarHBondContact O-N 3.33Å; L137-M140 PolarHBondContact O-N 3.32Å; M140-H143 WeakPolarHBondContact O-CB 3.34Å; M140-H143 PolarHBondContact O-N 2.9Å; M140-T144 PolarHBondContact O-N 3.4Å; M140-T144 PolarHBondContact O-OG1 3Å
141Y97.4Very high95Very high7 Ų738.5 Ų38.53%0.02717%0.174CC..Hα-helixtrans-60.2-48.2175.7-177.9-129.8000111.9F86 I95 L137 Y139 H143 T144 L145F86-Y141 HydrophobicContact CB-CD2 3.82Å; F86-Y141 HydrophobicContact CB-CE2 4.09Å; F86-Y141 AromaticContact CD1-CD2 3.62Å; F86-Y141 HydrophobicContact CD1-CD2 3.62Å; F86-Y141 HydrophobicContact CD1-CE2 4.43Å; F86-Y141 HydrophobicContact CD1-CG 4.36Å; F86-Y141 HydrophobicContact CD2-CD2 4.49Å; F86-Y141 HydrophobicContact CE1-CD2 4.32Å; F86-Y141 AromaticContact CG-CD2 3.72Å; F86-Y141 HydrophobicContact CG-CD2 3.72Å; F86-Y141 HydrophobicContact CG-CE2 4.47Å; I95-Y141 HydrophobicContact CD1-CG 4.24Å; I95-Y141 HydrophobicContact CG1-CD1 4.31Å; I95-Y141 HydrophobicContact CG1-CD2 4.28Å; I95-Y141 HydrophobicContact CG1-CG 4.15Å; L137-Y141 WeakPolarHBondContact O-CB 3.45Å; L137-Y141 PolarHBondContact O-N 3.36Å; Y139-Y141 VanDerWaalsContact C-N 3.32Å; Y139-Y141 PolarHBondContact O-N 3.18Å; Y141-H143 VanDerWaalsContact C-N 3.32Å; Y141-H143 PolarHBondContact O-N 3.45Å; Y141-T144 PolarHBondContact O-N 3.25Å; Y141-L145 HydrophobicContact CD1-CD1 3.95Å; Y141-L145 HydrophobicContact CD2-CD1 3.89Å; Y141-L145 HydrophobicContact CD2-CG 4.12Å; Y141-L145 HydrophobicContact CE1-CD1 3.5Å; Y141-L145 HydrophobicContact CE2-CD1 3.44Å; Y141-L145 VanDerWaalsContact CE2-CD1 3.44Å; Y141-L145 HydrophobicContact CE2-CD2 4.21Å; Y141-L145 HydrophobicContact CE2-CG 3.86Å; Y141-L145 HydrophobicContact CG-CD1 4.14Å; Y141-L145 WeakPolarHBondContact O-CB 2.92Å; Y141-L145 VanDerWaalsContact O-CG 3.25Å; Y141-L145 WeakPolarHBondContact O-CG 3.25Å; Y141-L145 PolarHBondContact O-N 2.96Å
142C96.9Very high94.6Very high0 Ų037.6 Ų37.60%017%0.171CC..Hα-helixtrans-67.9-33.6177.9-65.30000112.4L138 Y139 L145 H146 F159 C162 L163 W219L138-C142 WeakPolarHBondContact O-CB 3.29Å; L138-C142 PolarHBondContact O-N 2.87Å; L138-C142 PolarHBondContact O-SG 3.39Å; Y139-C142 CarbonylContact O-C 3.58Å; Y139-C142 PolarHBondContact O-N 3.16Å; Y139-C142 VanDerWaalsContact O-N 3.16Å; C142-L145 PolarHBondContact O-N 3.4Å; C142-H146 WeakPolarHBondContact O-CB 3.33Å; C142-H146 PolarHBondContact O-CD2 3.37Å; C142-H146 PolarHBondContact O-N 2.67Å; C142-F159 HydrophobicContact CB-CE2 3.82Å; C142-F159 HydrophobicContact CB-CZ 4.29Å; C142-C162 VanDerWaalsContact SG-CB 3.56Å; C142-L163 HydrophobicContact CB-CD2 3.66Å; C142-W219 HydrophobicContact CB-CE3 4.24Å; C142-W219 HydrophobicContact CB-CZ3 4.14Å
143H96Very high94.1Very high58 Ų5843.2 Ų43.227%0.26920%0.196SC..Hα-helixtrans-59.6-46.6176.1-171.791000110.8Y139 M140 Y141 H146 W219Y139-H143 HydrophobicContact CE1-CB 4.26Å; Y139-H143 AromaticContact CZ-ND1 3.82Å; Y139-H143 VanDerWaalsContact O-CB 3.26Å; Y139-H143 WeakPolarHBondContact O-CB 3.3Å; Y139-H143 PolarHBondContact O-N 3.48Å; Y139-H143 PolarHBondContact OH-ND1 3.46Å; Y139-H143 VanDerWaalsContact OH-ND1 3.12Å; M140-H143 WeakPolarHBondContact O-CB 3.34Å; M140-H143 PolarHBondContact O-N 2.9Å; Y141-H143 VanDerWaalsContact C-N 3.32Å; Y141-H143 PolarHBondContact O-N 3.45Å; H143-H146 VanDerWaalsContact CA-CD2 3.43Å; H143-H146 WeakPolarHBondContact CA-CD2 3.11Å; H143-H146 AromaticContact CE1-NE2 3.92Å; H143-H146 AromaticContact CG-NE2 4Å; H143-H146 AromaticContact ND1-NE2 3.75Å; H143-H146 PolarHBondContact O-CD2 3.22Å; H143-H146 PolarHBondContact O-NE2 3.42Å; H143-W219 HydrophobicContact CB-CH2 3.86Å; H143-W219 HydrophobicContact CB-CZ3 4.41Å; H143-W219 AromaticContact ND1-CH2 3.56Å; H143-W219 AromaticContact ND1-CZ2 3.78Å
144T94.4Very high93.7Very high23 Ų2350.2 Ų50.214%0.14123%0.227CC..Hα-helixtrans-69.1-42175.8-56.30000111.8E85 F86 M140 Y141E85-T144 HydrophobicContact CB-CG2 4.25Å; E85-T144 WeakPolarHBondContact O-CG2 3.25Å; F86-T144 HydrophobicContact CD2-CG2 4.2Å; F86-T144 WeakPolarHBondContact CD2-OG1 3.35Å; M140-T144 PolarHBondContact O-N 3.4Å; M140-T144 PolarHBondContact O-OG1 3Å; Y141-T144 PolarHBondContact O-N 3.25Å
145L91.4Very high93.3Very high1 Ų152.6 Ų52.61%0.00524%0.24CC..Hα-helixtrans-72.3-30.3-176.1-70.4-179.9000114.4Y141 C142 Q147 R148 W151 I152 F159Y141-L145 HydrophobicContact CD1-CD1 3.95Å; Y141-L145 HydrophobicContact CD2-CD1 3.89Å; Y141-L145 HydrophobicContact CD2-CG 4.12Å; Y141-L145 HydrophobicContact CE1-CD1 3.5Å; Y141-L145 HydrophobicContact CE2-CD1 3.44Å; Y141-L145 VanDerWaalsContact CE2-CD1 3.44Å; Y141-L145 HydrophobicContact CE2-CD2 4.21Å; Y141-L145 HydrophobicContact CE2-CG 3.86Å; Y141-L145 HydrophobicContact CG-CD1 4.14Å; Y141-L145 WeakPolarHBondContact O-CB 2.92Å; Y141-L145 VanDerWaalsContact O-CG 3.25Å; Y141-L145 WeakPolarHBondContact O-CG 3.25Å; Y141-L145 PolarHBondContact O-N 2.96Å; C142-L145 PolarHBondContact O-N 3.4Å; L145-Q147 PolarHBondContact O-N 2.85Å; L145-Q147 VanDerWaalsContact O-N 3.14Å; L145-R148 WeakPolarHBondContact O-CA 3.36Å; L145-R148 WeakPolarHBondContact O-CB 3.32Å; L145-R148 PolarHBondContact O-N 2.97Å; L145-W151 HydrophobicContact CB-CE3 4.38Å; L145-W151 HydrophobicContact CB-CZ3 4.37Å; L145-W151 HydrophobicContact CD1-CE3 4.09Å; L145-W151 HydrophobicContact CD1-CH2 3.5Å; L145-W151 VanDerWaalsContact CD1-CH2 3.5Å; L145-W151 HydrophobicContact CD1-CZ2 4.07Å; L145-W151 HydrophobicContact CD1-CZ3 3.51Å; L145-W151 HydrophobicContact CD2-CD2 4.09Å; L145-W151 HydrophobicContact CD2-CE3 4.12Å; L145-W151 HydrophobicContact CD2-CZ3 4.38Å; L145-W151 HydrophobicContact CG-CE3 4.44Å; L145-W151 HydrophobicContact CG-CZ3 4.31Å; L145-I152 WeakPolarHBondContact O-CD1 3.27Å; L145-F159 HydrophobicContact CB-CD2 4.25Å; L145-F159 HydrophobicContact CB-CE2 4.13Å
146H87.4Confident92.9Very high38 Ų3854.7 Ų54.718%0.17625%0.249CC..Hα-helixtrans-62.1-25.4-178.677.969.6000112.3C142 H143 R148 I152 F159 W219 Y223C142-H146 WeakPolarHBondContact O-CB 3.33Å; C142-H146 PolarHBondContact O-CD2 3.37Å; C142-H146 PolarHBondContact O-N 2.67Å; H143-H146 VanDerWaalsContact CA-CD2 3.43Å; H143-H146 WeakPolarHBondContact CA-CD2 3.11Å; H143-H146 AromaticContact CE1-NE2 3.92Å; H143-H146 AromaticContact CG-NE2 4Å; H143-H146 AromaticContact ND1-NE2 3.75Å; H143-H146 PolarHBondContact O-CD2 3.22Å; H143-H146 PolarHBondContact O-NE2 3.42Å; H146-R148 VanDerWaalsContact C-N 3.29Å; H146-R148 PolarHBondContact O-N 3.08Å; H146-I152 HydrophobicContact CB-CD1 4.49Å; H146-I152 WeakPolarHBondContact O-CD1 3.44Å; H146-F159 HydrophobicContact CB-CE2 4.41Å; H146-F159 HydrophobicContact CB-CZ 3.99Å; H146-W219 AromaticContact CD2-CE2 3.48Å; H146-W219 VanDerWaalsContact CD2-CE2 3.48Å; H146-W219 AromaticContact CD2-CH2 3.85Å; H146-W219 AromaticContact CD2-CZ2 3.39Å; H146-W219 WeakPolarHBondContact CD2-CZ2 3.3Å; H146-W219 AromaticContact CD2-NE1 3.92Å; H146-W219 AromaticContact NE2-CE2 3.87Å; H146-W219 AromaticContact NE2-CZ2 3.5Å; H146-W219 WeakPolarHBondContact NE2-CZ2 3.45Å; H146-Y223 PolarHBondContact O-OH 3.49Å
147Q88.8Confident92.5Very high129 Ų12957.9 Ų57.960%0.60328%0.275SS*.THydrogen-bonded Turntrans-71.5-24.5175.1-55.5-177.6-2.700111.8L145 K149L145-Q147 PolarHBondContact O-N 2.85Å; L145-Q147 VanDerWaalsContact O-N 3.14Å; Q147-K149 PolarHBondContact O-N 3.27Å
148R91Very high92.2Very high59 Ų5961 Ų6122%0.22329%0.294CS..  trans-89.970.5-178.8-58.1-175.3-175160.45.1112.2E85 F86 E88 L145 H146 Q150 W151 I152E85-R148 PolarHBondContact O-NH2 3.04Å; F86-R148 PolarHBondContact O-NH1 3.24Å; E88-R148 IonicContact OE1-NH1 2.8Å; L145-R148 WeakPolarHBondContact O-CA 3.36Å; L145-R148 WeakPolarHBondContact O-CB 3.32Å; L145-R148 PolarHBondContact O-N 2.97Å; H146-R148 VanDerWaalsContact C-N 3.29Å; H146-R148 PolarHBondContact O-N 3.08Å; R148-Q150 VanDerWaalsContact C-N 3.25Å; R148-Q150 PolarHBondContact O-N 2.84Å; R148-W151 HydrophobicContact CB-CB 3.9Å; R148-W151 WeakPolarHBondContact O-CB 3.31Å; R148-W151 PolarHBondContact O-N 2.98Å; R148-I152 PolarHBondContact O-N 3.05Å
149K87.7Confident92Very high158 Ų15860.8 Ų60.869%0.68729%0.294SS*.Hα-helixtrans-49.2-38.6-176.1-64.9-177.2-177.7176.40115Q147 K153Q147-K149 PolarHBondContact O-N 3.27Å; K149-K153 WeakPolarHBondContact O-CG 3.28Å; K149-K153 PolarHBondContact O-N 3.46Å
150Q89Confident91.8Very high131 Ų13161 Ų6161%0.61230%0.296SS*.Hα-helixtrans-71.1-35.3179.8-66.1-64.6-5.300112.8R148R148-Q150 VanDerWaalsContact C-N 3.25Å; R148-Q150 PolarHBondContact O-N 2.84Å
151W90.1Very high91.6Very high24 Ų2465.2 Ų65.29%0.09131%0.312CS..Hα-helixtrans-66.7-45176.9-174.296.7000110.7L145 R148 K153 K154 N155 F159L145-W151 HydrophobicContact CB-CE3 4.38Å; L145-W151 HydrophobicContact CB-CZ3 4.37Å; L145-W151 HydrophobicContact CD1-CE3 4.09Å; L145-W151 HydrophobicContact CD1-CH2 3.5Å; L145-W151 VanDerWaalsContact CD1-CH2 3.5Å; L145-W151 HydrophobicContact CD1-CZ2 4.07Å; L145-W151 HydrophobicContact CD1-CZ3 3.51Å; L145-W151 HydrophobicContact CD2-CD2 4.09Å; L145-W151 HydrophobicContact CD2-CE3 4.12Å; L145-W151 HydrophobicContact CD2-CZ3 4.38Å; L145-W151 HydrophobicContact CG-CE3 4.44Å; L145-W151 HydrophobicContact CG-CZ3 4.31Å; R148-W151 HydrophobicContact CB-CB 3.9Å; R148-W151 WeakPolarHBondContact O-CB 3.31Å; R148-W151 PolarHBondContact O-N 2.98Å; W151-K153 VanDerWaalsContact C-N 3.3Å; W151-K153 PolarHBondContact O-N 3.08Å; W151-K154 PolarHBondContact O-N 3.12Å; W151-N155 HydrophobicContact CD2-CB 3.94Å; W151-N155 VanDerWaalsContact CE2-ND2 3.3Å; W151-N155 HydrophobicContact CE3-CB 3.86Å; W151-N155 HydrophobicContact CH2-CB 3.51Å; W151-N155 HydrophobicContact CZ2-CB 3.6Å; W151-N155 HydrophobicContact CZ3-CB 3.64Å; W151-N155 PolarHBondContact NE1-ND2 3.45Å; W151-N155 WeakPolarHBondContact O-CB 3.21Å; W151-N155 PolarHBondContact O-N 3.06Å; W151-N155 PolarHBondContact O-ND2 3.4Å; W151-N155 VanDerWaalsContact O-ND2 3.15Å; W151-F159 HydrophobicContact CZ3-CB 4.18Å; W151-F159 HydrophobicContact CZ3-CD2 4.34Å
152I89.8Confident91.5Very high4 Ų465.8 Ų65.82%0.02132%0.317CS..Hα-helixtrans-61.6-39.1179.4-58.4167.1000111.4L145 H146 R148 K154 N155 K156 F159 Y223L145-I152 WeakPolarHBondContact O-CD1 3.27Å; H146-I152 HydrophobicContact CB-CD1 4.49Å; H146-I152 WeakPolarHBondContact O-CD1 3.44Å; R148-I152 PolarHBondContact O-N 3.05Å; I152-K154 PolarHBondContact O-N 3.48Å; I152-N155 CarbonylContact O-C 3.59Å; I152-N155 PolarHBondContact O-N 2.98Å; I152-K156 VanDerWaalsContact O-CA 3.27Å; I152-K156 WeakPolarHBondContact O-CA 3.3Å; I152-K156 WeakPolarHBondContact O-CB 3.32Å; I152-K156 PolarHBondContact O-N 2.95Å; I152-F159 HydrophobicContact CG2-CD1 4.45Å; I152-Y223 HydrophobicContact CB-CE1 4.39Å; I152-Y223 HydrophobicContact CD1-CE1 3.86Å; I152-Y223 HydrophobicContact CD1-CE2 4.14Å; I152-Y223 VanDerWaalsContact CD1-CZ 3.47Å; I152-Y223 WeakPolarHBondContact CD1-OH 3.41Å; I152-Y223 HydrophobicContact CG2-CD1 3.68Å; I152-Y223 HydrophobicContact CG2-CE1 3.6Å; I152-Y223 HydrophobicContact CG2-CG 4.29Å
153K87.6Confident91.5Very high158 Ų15865.8 Ų65.869%0.68732%0.317SS*.Hα-helixtrans-56.3-35.5175.6-76.5179.9179.3-175.40112.5K149 W151K149-K153 WeakPolarHBondContact O-CG 3.28Å; K149-K153 PolarHBondContact O-N 3.46Å; W151-K153 VanDerWaalsContact C-N 3.3Å; W151-K153 PolarHBondContact O-N 3.08Å
154K90.2Very high91.6Very high174 Ų17464.5 Ų64.576%0.75731%0.311SS*.Hα-helixtrans-85.5-32.6179.1-63.8179.3-178.31790112.9W151 I152W151-K154 PolarHBondContact O-N 3.12Å; I152-K154 PolarHBondContact O-N 3.48Å
155N90.5Very high91.7Very high53 Ų5366 Ų6628%0.28332%0.317SS..Hα-helixtrans-119.626.4-168-61.6-70.4000113.4W151 I152 A157 T158 F159W151-N155 HydrophobicContact CD2-CB 3.94Å; W151-N155 VanDerWaalsContact CE2-ND2 3.3Å; W151-N155 HydrophobicContact CE3-CB 3.86Å; W151-N155 HydrophobicContact CH2-CB 3.51Å; W151-N155 HydrophobicContact CZ2-CB 3.6Å; W151-N155 HydrophobicContact CZ3-CB 3.64Å; W151-N155 PolarHBondContact NE1-ND2 3.45Å; W151-N155 WeakPolarHBondContact O-CB 3.21Å; W151-N155 PolarHBondContact O-N 3.06Å; W151-N155 PolarHBondContact O-ND2 3.4Å; W151-N155 VanDerWaalsContact O-ND2 3.15Å; I152-N155 CarbonylContact O-C 3.59Å; I152-N155 PolarHBondContact O-N 2.98Å; N155-A157 VanDerWaalsContact C-N 3.32Å; N155-A157 PolarHBondContact O-N 3.19Å; N155-T158 WeakPolarHBondContact O-CB 3.42Å; N155-T158 PolarHBondContact O-N 3.26Å; N155-T158 VanDerWaalsContact O-N 3.09Å; N155-F159 PolarHBondContact O-N 3.45Å
156K90.4Very high92Very high44 Ų4465.9 Ų65.919%0.19132%0.316CS..Hα-helixtrans-52.7-45.6-173.6-174.7-178.9179.3-178.40113.5I152 T158 F159 L160 Y223 C226 S227I152-K156 VanDerWaalsContact O-CA 3.27Å; I152-K156 WeakPolarHBondContact O-CA 3.3Å; I152-K156 WeakPolarHBondContact O-CB 3.32Å; I152-K156 PolarHBondContact O-N 2.95Å; K156-T158 VanDerWaalsContact C-N 3.35Å; K156-T158 PolarHBondContact O-N 2.98Å; K156-F159 WeakPolarHBondContact O-CB 3.49Å; K156-F159 PolarHBondContact O-N 2.95Å; K156-L160 HydrophobicContact CG-CD1 4.23Å; K156-L160 WeakPolarHBondContact O-CG 3.29Å; K156-L160 PolarHBondContact O-N 2.87Å; K156-Y223 WeakPolarHBondContact CE-O 3.21Å; K156-Y223 PolarHBondContact NZ-O 3.03Å; K156-C226 VanDerWaalsContact NZ-C 3.32Å; K156-C226 PolarHBondContact NZ-O 3.35Å; K156-S227 VanDerWaalsContact NZ-CA 3.32Å; K156-S227 PolarHBondContact NZ-OG 3.16Å; K156-S227 VanDerWaalsContact NZ-OG 3.09Å
157A90.8Very high92.5Very high78 Ų7864.1 Ų64.165%0.64531%0.308SS*.Hα-helixtrans-63.1-41.9-179.700000112N155 K161N155-A157 VanDerWaalsContact C-N 3.32Å; N155-A157 PolarHBondContact O-N 3.19Å; A157-K161 WeakPolarHBondContact O-CB 3.31Å; A157-K161 PolarHBondContact O-N 3.32Å
158T91.7Very high92.9Very high69 Ų6961.1 Ų61.142%0.42329%0.291SS..Hα-helixtrans-62.6-45.8175-53.20000110.9N155 K156 K161 C162N155-T158 WeakPolarHBondContact O-CB 3.42Å; N155-T158 PolarHBondContact O-N 3.26Å; N155-T158 VanDerWaalsContact O-N 3.09Å; K156-T158 VanDerWaalsContact C-N 3.35Å; K156-T158 PolarHBondContact O-N 2.98Å; T158-K161 PolarHBondContact O-N 3.16Å; T158-C162 PolarHBondContact O-N 3.46Å; T158-C162 PolarHBondContact O-SG 2.7Å; T158-C162 VanDerWaalsContact O-SG 3.35Å
159F94.3Very high93.3Very high0 Ų059.9 Ų59.90%029%0.287CS..Hα-helixtrans-58.4-51177.4-174.3-104.8000112C142 L145 H146 W151 I152 N155 K156 K161 C162 L163 W219 Y223C142-F159 HydrophobicContact CB-CE2 3.82Å; C142-F159 HydrophobicContact CB-CZ 4.29Å; L145-F159 HydrophobicContact CB-CD2 4.25Å; L145-F159 HydrophobicContact CB-CE2 4.13Å; H146-F159 HydrophobicContact CB-CE2 4.41Å; H146-F159 HydrophobicContact CB-CZ 3.99Å; W151-F159 HydrophobicContact CZ3-CB 4.18Å; W151-F159 HydrophobicContact CZ3-CD2 4.34Å; I152-F159 HydrophobicContact CG2-CD1 4.45Å; N155-F159 PolarHBondContact O-N 3.45Å; K156-F159 WeakPolarHBondContact O-CB 3.49Å; K156-F159 PolarHBondContact O-N 2.95Å; F159-K161 VanDerWaalsContact C-N 3.3Å; F159-K161 PolarHBondContact O-N 3.04Å; F159-C162 WeakPolarHBondContact O-CB 3.13Å; F159-C162 PolarHBondContact O-N 3.49Å; F159-C162 VanDerWaalsContact O-N 3.16Å; F159-L163 HydrophobicContact CD1-CD1 3.9Å; F159-L163 HydrophobicContact CD1-CG 4.4Å; F159-L163 HydrophobicContact CE1-CD1 3.47Å; F159-L163 VanDerWaalsContact CE1-CD1 3.47Å; F159-L163 HydrophobicContact CE1-CG 4.11Å; F159-L163 HydrophobicContact CZ-CD1 4.06Å; F159-L163 HydrophobicContact CZ-CD2 4.29Å; F159-L163 HydrophobicContact CZ-CG 4.34Å; F159-L163 WeakPolarHBondContact O-CG 3.33Å; F159-L163 PolarHBondContact O-N 2.93Å; F159-W219 HydrophobicContact CE1-CB 4.36Å; F159-W219 HydrophobicContact CZ-CB 4.4Å; F159-Y223 HydrophobicContact CD1-CD2 4.1Å; F159-Y223 AromaticContact CE1-CD2 3.51Å; F159-Y223 HydrophobicContact CE1-CD2 3.51Å; F159-Y223 AromaticContact CE1-CE2 3.74Å; F159-Y223 HydrophobicContact CE1-CE2 3.74Å; F159-Y223 HydrophobicContact CE1-CG 4.37Å; F159-Y223 HydrophobicContact CZ-CD2 4.45Å; F159-Y223 HydrophobicContact CZ-CE2 4.27Å
160L94Very high93.8Very high18 Ų1852.3 Ų52.39%0.09425%0.254CS..Hα-helixtrans-61.8-37.2177.9-70.9175.9000112.4K156 L163 Q164 A220 E224K156-L160 HydrophobicContact CG-CD1 4.23Å; K156-L160 WeakPolarHBondContact O-CG 3.29Å; K156-L160 PolarHBondContact O-N 2.87Å; L160-L163 HydrophobicContact CD2-CD1 4.35Å; L160-L163 PolarHBondContact O-N 2.9Å; L160-Q164 WeakPolarHBondContact O-CB 3.45Å; L160-Q164 PolarHBondContact O-N 2.94Å; L160-A220 HydrophobicContact CD2-CB 4.38Å; L160-E224 HydrophobicContact CD1-CG 3.98Å; L160-E224 HydrophobicContact CD2-CG 3.87Å
161K93.9Very high94.2Very high143 Ų14348.5 Ų48.562%0.62224%0.236SC*.Hα-helixtrans-63.5-44.1174.3-173.8-179.7179-176.20111.6A157 T158 F159 L163 Q164 E165A157-K161 WeakPolarHBondContact O-CB 3.31Å; A157-K161 PolarHBondContact O-N 3.32Å; T158-K161 PolarHBondContact O-N 3.16Å; F159-K161 VanDerWaalsContact C-N 3.3Å; F159-K161 PolarHBondContact O-N 3.04Å; K161-L163 VanDerWaalsContact C-N 3.33Å; K161-L163 PolarHBondContact O-N 3.44Å; K161-Q164 PolarHBondContact O-N 2.97Å; K161-E165 WeakPolarHBondContact O-CG 3.3Å; K161-E165 PolarHBondContact O-N 3.47Å
162C96.1Very high94.4Very high20 Ų2053.5 Ų53.514%0.13526%0.256CS..Hα-helixtrans-60.8-41.9175.5-69.90000111.8L138 C142 T158 F159 G166L138-C162 HydrophobicContact CD2-CB 4.21Å; C142-C162 VanDerWaalsContact SG-CB 3.56Å; T158-C162 PolarHBondContact O-N 3.46Å; T158-C162 PolarHBondContact O-SG 2.7Å; T158-C162 VanDerWaalsContact O-SG 3.35Å; F159-C162 WeakPolarHBondContact O-CB 3.13Å; F159-C162 PolarHBondContact O-N 3.49Å; F159-C162 VanDerWaalsContact O-N 3.16Å; C162-G166 PolarHBondContact O-N 2.92Å
163L97.2Very high94.7Very high0 Ų053.3 Ų53.30%026%0.255CS..Hα-helixtrans-61.2-47.3174.6-66.3179.2000111.8C142 F159 L160 K161 E165 G166 V167 M216 W219 A220C142-L163 HydrophobicContact CB-CD2 3.66Å; F159-L163 HydrophobicContact CD1-CD1 3.9Å; F159-L163 HydrophobicContact CD1-CG 4.4Å; F159-L163 HydrophobicContact CE1-CD1 3.47Å; F159-L163 VanDerWaalsContact CE1-CD1 3.47Å; F159-L163 HydrophobicContact CE1-CG 4.11Å; F159-L163 HydrophobicContact CZ-CD1 4.06Å; F159-L163 HydrophobicContact CZ-CD2 4.29Å; F159-L163 HydrophobicContact CZ-CG 4.34Å; F159-L163 WeakPolarHBondContact O-CG 3.33Å; F159-L163 PolarHBondContact O-N 2.93Å; L160-L163 HydrophobicContact CD2-CD1 4.35Å; L160-L163 PolarHBondContact O-N 2.9Å; K161-L163 VanDerWaalsContact C-N 3.33Å; K161-L163 PolarHBondContact O-N 3.44Å; L163-E165 PolarHBondContact O-N 3.27Å; L163-G166 PolarHBondContact O-N 3.35Å; L163-V167 WeakPolarHBondContact O-CG2 3.38Å; L163-V167 PolarHBondContact O-N 2.84Å; L163-M216 HydrophobicContact CD2-CB 3.92Å; L163-M216 HydrophobicContact CD2-CE 3.96Å; L163-M216 HydrophobicContact CD2-CG 3.98Å; L163-W219 HydrophobicContact CD1-CB 3.91Å; L163-W219 HydrophobicContact CD2-CB 4.37Å; L163-W219 HydrophobicContact CD2-CE3 3.81Å; L163-A220 HydrophobicContact CB-CB 4.48Å; L163-A220 HydrophobicContact CD1-CB 3.84Å
164Q96.3Very high95Very high30 Ų3047.2 Ų47.214%0.1423%0.229CC..Hα-helixtrans-60.2-47.6-179.8-166.9172.9-76.200112.2L160 K161 R168 D236 L238 F240L160-Q164 WeakPolarHBondContact O-CB 3.45Å; L160-Q164 PolarHBondContact O-N 2.94Å; K161-Q164 PolarHBondContact O-N 2.97Å; Q164-R168 VanDerWaalsContact O-CG 3.32Å; Q164-R168 WeakPolarHBondContact O-CG 3.5Å; Q164-R168 PolarHBondContact O-N 2.7Å; Q164-R168 VanDerWaalsContact O-N 3.08Å; Q164-D236 PolarHBondContact NE2-O 3.36Å; Q164-L238 HydrophobicContact CG-CD1 3.97Å; Q164-L238 HydrophobicContact CG-CG 3.93Å; Q164-F240 HydrophobicContact CB-CZ 3.92Å; Q164-F240 HydrophobicContact CG-CZ 4.15Å
165E97Very high95.1Very high54 Ų5445 Ų4525%0.25222%0.222SC..Hα-helixtrans-67.4-39.8178.6-67.1-57.211400111.9L138 K161 L163 R168 Y169L138-E165 HydrophobicContact CD1-CB 3.76Å; K161-E165 WeakPolarHBondContact O-CG 3.3Å; K161-E165 PolarHBondContact O-N 3.47Å; L163-E165 PolarHBondContact O-N 3.27Å; E165-R168 WeakPolarHBondContact O-CB 3.23Å; E165-R168 PolarHBondContact O-N 2.57Å; E165-R168 IonicContact OE1-CZ 3.56Å; E165-R168 IonicContact OE1-NH1 3.72Å; E165-R168 PolarHBondContact OE1-NH1 2.7Å; E165-Y169 HydrophobicContact CB-CE2 4.29Å; E165-Y169 WeakPolarHBondContact O-CD2 3.24Å; E165-Y169 PolarHBondContact O-N 3.01Å
166G98.3Very high95.1Very high0 Ų042.8 Ų42.80%021%0.21CC..Hα-helixtrans-62.1-47.1177.300000112.1C162 L163 R168 Y169 L170C162-G166 PolarHBondContact O-N 2.92Å; L163-G166 PolarHBondContact O-N 3.35Å; G166-R168 VanDerWaalsContact C-N 3.3Å; G166-R168 PolarHBondContact O-N 2.61Å; G166-Y169 PolarHBondContact O-N 2.71Å; G166-L170 WeakPolarHBondContact O-CB 3.15Å; G166-L170 VanDerWaalsContact O-CG 3.32Å; G166-L170 WeakPolarHBondContact O-CG 3.29Å; G166-L170 PolarHBondContact O-N 2.64Å
167V98.3Very high94.9Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-59.6-40.8174.7173.30000111.2L163 L170 M171 I213 M216 L238 F240 I243L163-V167 WeakPolarHBondContact O-CG2 3.38Å; L163-V167 PolarHBondContact O-N 2.84Å; V167-L170 PolarHBondContact O-N 3.29Å; V167-M171 HydrophobicContact CG1-CG 4.22Å; V167-M171 HydrophobicContact CG1-SD 3.85Å; V167-M171 WeakPolarHBondContact O-CB 3.46Å; V167-M171 VanDerWaalsContact O-CG 3.3Å; V167-M171 WeakPolarHBondContact O-CG 3.2Å; V167-M171 PolarHBondContact O-N 2.67Å; V167-I213 HydrophobicContact CG1-CG2 4.2Å; V167-M216 HydrophobicContact CG2-CB 3.69Å; V167-L238 HydrophobicContact CB-CD1 3.78Å; V167-L238 HydrophobicContact CG1-CD1 3.58Å; V167-F240 HydrophobicContact CG2-CE1 4.26Å; V167-I243 HydrophobicContact CG1-CG2 4.16Å
168R97.4Very high93.8Very high66 Ų6646.9 Ų46.925%0.24922%0.218CC..Hα-helixtrans-60.7-46.6176.1-76.2172177.2156.8-2.5112.7Q164 E165 G166 M171 R172 D236 L238Q164-R168 VanDerWaalsContact O-CG 3.32Å; Q164-R168 WeakPolarHBondContact O-CG 3.5Å; Q164-R168 PolarHBondContact O-N 2.7Å; Q164-R168 VanDerWaalsContact O-N 3.08Å; E165-R168 WeakPolarHBondContact O-CB 3.23Å; E165-R168 PolarHBondContact O-N 2.57Å; E165-R168 IonicContact OE1-CZ 3.56Å; E165-R168 IonicContact OE1-NH1 3.72Å; E165-R168 PolarHBondContact OE1-NH1 2.7Å; G166-R168 VanDerWaalsContact C-N 3.3Å; G166-R168 PolarHBondContact O-N 2.61Å; R168-M171 PolarHBondContact O-N 2.76Å; R168-R172 WeakPolarHBondContact O-CG 3.47Å; R168-R172 PolarHBondContact O-N 3.38Å; R168-D236 PolarHBondContact NH2-O 3.35Å; R168-L238 HydrophobicContact CG-CD1 4.12Å; R168-L238 HydrophobicContact CG-CD2 4.37Å
169Y98.4Very high92.4Very high33 Ų3347 Ų4713%0.12922%0.221CC..Hα-helixtrans-64.3-44.1179-70-52000111.6L99 Y131 R134 L138 E165 G166 R172 M173L99-Y169 HydrophobicContact CD2-CE2 4.27Å; Y131-Y169 AromaticContact CD1-CD1 3.93Å; Y131-Y169 HydrophobicContact CD1-CD1 3.93Å; Y131-Y169 HydrophobicContact CE1-CD1 4.28Å; R134-Y169 HydrophobicContact CB-CD1 4.15Å; R134-Y169 HydrophobicContact CB-CD2 3.66Å; R134-Y169 HydrophobicContact CB-CE1 4.45Å; R134-Y169 HydrophobicContact CB-CE2 4.01Å; R134-Y169 HydrophobicContact CB-CG 3.74Å; L138-Y169 HydrophobicContact CD1-CD2 3.98Å; L138-Y169 HydrophobicContact CD1-CE2 4.06Å; E165-Y169 HydrophobicContact CB-CE2 4.29Å; E165-Y169 WeakPolarHBondContact O-CD2 3.24Å; E165-Y169 PolarHBondContact O-N 3.01Å; G166-Y169 PolarHBondContact O-N 2.71Å; Y169-R172 WeakPolarHBondContact O-CB 3.4Å; Y169-R172 PolarHBondContact O-N 2.83Å; Y169-M173 PolarHBondContact O-N 3.5Å
170L98.4Very high90.7Very high0 Ų049.8 Ų49.80%024%0.238CC..Hα-helixtrans-65.3-39.1177.9-68.5-178000112.4W132 G166 V167 M173 L174 T209 I213 M216W132-L170 HydrophobicContact CE3-CD2 3.62Å; W132-L170 HydrophobicContact CZ3-CD2 3.75Å; G166-L170 WeakPolarHBondContact O-CB 3.15Å; G166-L170 VanDerWaalsContact O-CG 3.32Å; G166-L170 WeakPolarHBondContact O-CG 3.29Å; G166-L170 PolarHBondContact O-N 2.64Å; V167-L170 PolarHBondContact O-N 3.29Å; L170-M173 WeakPolarHBondContact O-CB 3.4Å; L170-M173 PolarHBondContact O-N 3.13Å; L170-L174 PolarHBondContact O-N 3.01Å; L170-L174 VanDerWaalsContact O-N 3.14Å; L170-T209 HydrophobicContact CB-CG2 3.78Å; L170-T209 HydrophobicContact CD2-CG2 4Å; L170-T209 HydrophobicContact CG-CG2 4.33Å; L170-I213 HydrophobicContact CB-CD1 3.77Å; L170-I213 HydrophobicContact CB-CG1 3.47Å; L170-I213 VanDerWaalsContact CB-CG1 3.47Å; L170-I213 HydrophobicContact CD1-CG1 3.86Å; L170-I213 HydrophobicContact CG-CG1 4.33Å; L170-M216 HydrophobicContact CD1-SD 4.14Å
171M96.6Very high88.7Confident50 Ų5057.3 Ų57.325%0.24627%0.27CS..Hα-helixtrans-63-41.5172.1-78177.14600112.1V167 R168 M173 L174 Q175 I213 I243V167-M171 HydrophobicContact CG1-CG 4.22Å; V167-M171 HydrophobicContact CG1-SD 3.85Å; V167-M171 WeakPolarHBondContact O-CB 3.46Å; V167-M171 VanDerWaalsContact O-CG 3.3Å; V167-M171 WeakPolarHBondContact O-CG 3.2Å; V167-M171 PolarHBondContact O-N 2.67Å; R168-M171 PolarHBondContact O-N 2.76Å; M171-M173 VanDerWaalsContact C-N 3.32Å; M171-L174 PolarHBondContact O-N 3.45Å; M171-Q175 VanDerWaalsContact O-CG 3.26Å; M171-Q175 WeakPolarHBondContact O-CG 3.5Å; M171-Q175 PolarHBondContact O-N 3.26Å; M171-I213 HydrophobicContact CG-CD1 4.24Å; M171-I243 HydrophobicContact SD-CD1 4.04Å; M171-I243 HydrophobicContact SD-CG2 4.01Å
172R95.5Very high86.8Confident130 Ų13054.2 Ų54.249%0.49126%0.26SS..Hα-helixtrans-62.9-40.2174.7-75.8-174.5-177.4-1694.4111.6Y131 R168 Y169 L174 Q175 V176Y131-R172 HydrophobicContact CD1-CB 3.7Å; Y131-R172 HydrophobicContact CD2-CB 4.07Å; Y131-R172 HydrophobicContact CE1-CB 3.86Å; Y131-R172 HydrophobicContact CE1-CG 4.28Å; Y131-R172 HydrophobicContact CE2-CB 4.18Å; Y131-R172 HydrophobicContact CG-CB 3.86Å; Y131-R172 PolarHBondContact OH-NH1 3.35Å; R168-R172 WeakPolarHBondContact O-CG 3.47Å; R168-R172 PolarHBondContact O-N 3.38Å; Y169-R172 WeakPolarHBondContact O-CB 3.4Å; Y169-R172 PolarHBondContact O-N 2.83Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.28Å; R172-Q175 CarbonylContact O-C 3.26Å; R172-Q175 PolarHBondContact O-N 3.49Å; R172-V176 WeakPolarHBondContact O-CG2 3.47Å; R172-V176 PolarHBondContact O-N 3.08Å; R172-V176 VanDerWaalsContact O-N 3.15Å
173M96Very high84.5Confident0 Ų059.2 Ų59.20%029%0.285CS..Hα-helixtrans-54.3-50.2174.6179.6-85.5175.400111.1E128 W132 Y169 L170 M171 Q175 V176 T205 T209E128-M173 HydrophobicContact CG-CE 3.49Å; E128-M173 VanDerWaalsContact CG-CE 3.49Å; E128-M173 HydrophobicContact CG-CG 3.75Å; E128-M173 HydrophobicContact CG-SD 4.19Å; E128-M173 WeakPolarHBondContact OE1-CE 3.36Å; W132-M173 HydrophobicContact CB-CG 3.96Å; Y169-M173 PolarHBondContact O-N 3.5Å; L170-M173 WeakPolarHBondContact O-CB 3.4Å; L170-M173 PolarHBondContact O-N 3.13Å; M171-M173 VanDerWaalsContact C-N 3.32Å; M173-Q175 PolarHBondContact O-N 2.99Å; M173-Q175 VanDerWaalsContact O-N 3.11Å; M173-V176 PolarHBondContact O-N 3.06Å; M173-T205 HydrophobicContact CE-CG2 3.85Å; M173-T209 HydrophobicContact SD-CG2 4.01Å; M173-T209 PolarHBondContact SD-OG1 3.36Å
174L93.8Very high82Confident29 Ų2968 Ų6815%0.15233%0.332CS..Hα-helixtrans-63.5-16.7177.7-65.3178.8000113.9L170 M171 R172 H206 T209 M210 I213 I247L170-L174 PolarHBondContact O-N 3.01Å; L170-L174 VanDerWaalsContact O-N 3.14Å; M171-L174 PolarHBondContact O-N 3.45Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.28Å; L174-H206 HydrophobicContact CD2-CB 4.09Å; L174-T209 HydrophobicContact CD1-CG2 4.05Å; L174-T209 HydrophobicContact CD2-CG2 3.8Å; L174-T209 HydrophobicContact CG-CG2 3.68Å; L174-M210 HydrophobicContact CD1-CG 4.23Å; L174-M210 HydrophobicContact CD2-CE 4.41Å; L174-I213 HydrophobicContact CD1-CD1 3.69Å; L174-I247 HydrophobicContact CD1-CD1 4Å
175Q92.1Very high79.9Confident128 Ų12870 Ų7060%0.59836%0.361SS*.Hα-helixtrans-101.9-6.7-177-69.5170.90.900113.6M171 R172 M173 R177M171-Q175 VanDerWaalsContact O-CG 3.26Å; M171-Q175 WeakPolarHBondContact O-CG 3.5Å; M171-Q175 PolarHBondContact O-N 3.26Å; R172-Q175 CarbonylContact O-C 3.26Å; R172-Q175 PolarHBondContact O-N 3.49Å; M173-Q175 PolarHBondContact O-N 2.99Å; M173-Q175 VanDerWaalsContact O-N 3.11Å; Q175-R177 VanDerWaalsContact C-N 3.27Å; Q175-R177 PolarHBondContact O-N 2.98Å
176V90.4Very high77.9Confident7 Ų772 Ų724%0.04238%0.377CS..SBendtrans-61.4-39.7-179.5175.50000111Q119 L124 L127 E128 Y131 R172 M173Q119-V176 PolarHBondContact OE1-O 3.49Å; L124-V176 HydrophobicContact CB-CG1 4.4Å; L124-V176 HydrophobicContact CD2-CG1 3.7Å; L124-V176 VanDerWaalsContact CD2-O 3.22Å; L124-V176 WeakPolarHBondContact CD2-O 3.15Å; L127-V176 HydrophobicContact CB-CG1 4.28Å; L127-V176 HydrophobicContact CD2-CG1 4.28Å; L127-V176 HydrophobicContact CG-CG1 4.37Å; L127-V176 HydrophobicContact CG-CG2 4.25Å; E128-V176 HydrophobicContact CB-CB 4.24Å; E128-V176 HydrophobicContact CB-CG1 4.19Å; E128-V176 HydrophobicContact CB-CG2 4.3Å; Y131-V176 HydrophobicContact CD2-CG2 3.67Å; Y131-V176 HydrophobicContact CE2-CG2 4.14Å; R172-V176 WeakPolarHBondContact O-CG2 3.47Å; R172-V176 PolarHBondContact O-N 3.08Å; R172-V176 VanDerWaalsContact O-N 3.15Å; M173-V176 PolarHBondContact O-N 3.06Å
177R86.1Confident75.8Confident69 Ų6977.4 Ų77.426%0.2641%0.41SS..SBendtrans-96.6128.2175.2-60-173.6-163.3-162.85.1109.6L124 E128 Q175 F202L124-R177 HydrophobicContact CD2-CG 4.41Å; E128-R177 IonicContact OE1-NH2 2.99Å; E128-R177 IonicContact OE2-CZ 3.62Å; E128-R177 VanDerWaalsContact OE2-CZ 3.22Å; E128-R177 IonicContact OE2-NE 3.7Å; E128-R177 PolarHBondContact OE2-NE 3.16Å; E128-R177 IonicContact OE2-NH2 3.22Å; E128-R177 PolarHBondContact OE2-NH2 3.45Å; Q175-R177 VanDerWaalsContact C-N 3.27Å; Q175-R177 PolarHBondContact O-N 2.98Å; R177-F202 HydrophobicContact CB-CD2 3.98Å; R177-F202 HydrophobicContact CB-CE2 3.49Å; R177-F202 VanDerWaalsContact CB-CE2 3.49Å; R177-F202 HydrophobicContact CB-CZ 3.9Å; R177-F202 HydrophobicContact CG-CD2 4.42Å; R177-F202 HydrophobicContact CG-CE2 4.38Å
178N68.1Low73.8Confident138 Ų13880.6 Ų80.674%0.73842%0.424SS*.PPolyproline II helixtrans-65.4139.6169.1-69.9-49.6000109.6V180N178-V180 PolarHBondContact O-N 3.33Å
179S62.7Low72.1Confident71 Ų7186.5 Ų86.550%0.49745%0.454SS..PPolyproline II helixtrans-58.1138.6168.651.40000109.9K181 A198S179-K181 PolarHBondContact O-N 2.94Å; S179-K181 VanDerWaalsContact O-N 3.14Å; S179-A198 WeakPolarHBondContact CB-O 3.32Å
180V59.2Low71Confident59 Ų5988.4 Ų88.436%0.35847%0.466SS..  trans-71.8113.4179.3-179.40000107.3N178 L182 L197 F202N178-V180 PolarHBondContact O-N 3.33Å; V180-L182 PolarHBondContact O-N 3.46Å; V180-L197 HydrophobicContact CB-CB 4.29Å; V180-L197 HydrophobicContact CG2-CB 4.12Å; V180-L197 PolarHBondContact N-O 3.47Å; V180-F202 HydrophobicContact CG2-CE1 4.37Å
181K51.8Low69.9Low177 Ų17792.6 Ų92.677%0.7750%0.496SS*.  trans-64.7108166-68.9-172.7-179.6-178.10107S179 N183S179-K181 PolarHBondContact O-N 2.94Å; S179-K181 VanDerWaalsContact O-N 3.14Å; K181-N183 PolarHBondContact O-N 3.18Å
182L54Low68.8Low78 Ų7891.3 Ų91.341%0.40849%0.493SS..  trans-65.475.8171.5-60.3174.8000108.6V180 F188 A194 A198V180-L182 PolarHBondContact O-N 3.46Å; L182-F188 HydrophobicContact CD2-CD2 3.85Å; L182-F188 HydrophobicContact CD2-CE2 3.22Å; L182-F188 HydrophobicContact CD2-CZ 3.8Å; L182-A194 HydrophobicContact CD2-CB 4.25Å; L182-A198 HydrophobicContact CD1-CB 3.81Å; L182-A198 HydrophobicContact CG-CB 4.13Å
183N46.4Very low67.8Low124 Ų12488.4 Ų88.466%0.66349%0.49SS*.  trans-79.5146.4169.5-82.2-7.3000109.1K181 G185 V186K181-N183 PolarHBondContact O-N 3.18Å; N183-G185 PolarHBondContact O-N 3.42Å; N183-V186 PolarHBondContact O-N 3.19Å
184D46.4Very low66.7Low184 Ų18488.8 Ų88.898%0.98449%0.493SS*.THydrogen-bonded Turntrans-548.3-169-66.3-43.8000118.4
185G51Low65.9Low73 Ų7391.8 Ų91.875%0.75351%0.509SS*.THydrogen-bonded Turntrans-108.8-9.8-177.400000116N183N183-G185 PolarHBondContact O-N 3.42Å
186V55.4Low65.2Low96 Ų9687.1 Ų87.158%0.58249%0.487SS*.  trans-103.9106.4179.1-175.60000109.3N183 F188N183-V186 PolarHBondContact O-N 3.19Å; V186-F188 HydrophobicContact CB-CD2 4.43Å; V186-F188 HydrophobicContact CB-CE2 3.89Å; V186-F188 HydrophobicContact CB-CZ 4.38Å; V186-F188 HydrophobicContact CG1-CD2 4.03Å; V186-F188 HydrophobicContact CG1-CE1 4.22Å; V186-F188 HydrophobicContact CG1-CE2 3.55Å; V186-F188 HydrophobicContact CG1-CZ 3.67Å; V186-F188 WeakPolarHBondContact O-CD2 3.38Å; V186-F188 PolarHBondContact O-N 2.83Å; V186-F188 VanDerWaalsContact O-N 3.15Å
187V53.8Low64.6Low114 Ų11488.8 Ų88.869%0.69150%0.495SS*.  trans-76.3101173.5-178.70000108.1H189V187-H189 PolarHBondContact O-N 3.43Å
188F56.9Low64.1Low66 Ų6687.1 Ų87.129%0.28950%0.497SS..  trans-77.7118.7165.1-66.6-85.9000108.4L182 V186 D190 A194 L197L182-F188 HydrophobicContact CD2-CD2 3.85Å; L182-F188 HydrophobicContact CD2-CE2 3.22Å; L182-F188 HydrophobicContact CD2-CZ 3.8Å; V186-F188 HydrophobicContact CB-CD2 4.43Å; V186-F188 HydrophobicContact CB-CE2 3.89Å; V186-F188 HydrophobicContact CB-CZ 4.38Å; V186-F188 HydrophobicContact CG1-CD2 4.03Å; V186-F188 HydrophobicContact CG1-CE1 4.22Å; V186-F188 HydrophobicContact CG1-CE2 3.55Å; V186-F188 HydrophobicContact CG1-CZ 3.67Å; V186-F188 WeakPolarHBondContact O-CD2 3.38Å; V186-F188 PolarHBondContact O-N 2.83Å; V186-F188 VanDerWaalsContact O-N 3.15Å; F188-D190 PolarHBondContact O-N 3.48Å; F188-A194 HydrophobicContact CB-CB 3.68Å; F188-A194 HydrophobicContact CD1-CB 3.96Å; F188-A194 HydrophobicContact CD2-CB 3.78Å; F188-A194 HydrophobicContact CE2-CB 4.43Å; F188-A194 HydrophobicContact CG-CB 3.51Å; F188-L197 HydrophobicContact CE1-CD1 3.72Å; F188-L197 HydrophobicContact CZ-CD1 4.33Å
189H61.5Low64.6Low190 Ų19085.7 Ų85.788%0.8849%0.485SS*.SBendtrans-71.9-17.7175-68.7-59.4000112.7V187V187-H189 PolarHBondContact O-N 3.43Å
190D75.4Confident65.6Low73 Ų7382.8 Ų82.839%0.3947%0.467SS..  trans-124115.8174.917336.7000110.5F188 A192 T193 A194F188-D190 PolarHBondContact O-N 3.48Å; D190-A192 PolarHBondContact O-N 3.22Å; D190-A192 WeakPolarHBondContact OD1-CB 3.25Å; D190-A192 PolarHBondContact OD1-N 3.12Å; D190-A192 VanDerWaalsContact OD1-N 3.09Å; D190-T193 PolarHBondContact O-N 3.13Å; D190-T193 VanDerWaalsContact OD2-CB 3.27Å; D190-T193 WeakPolarHBondContact OD2-CB 3.36Å; D190-T193 PolarHBondContact OD2-N 2.93Å; D190-T193 PolarHBondContact OD2-OG1 3.48Å; D190-A194 PolarHBondContact O-N 3.1Å
191S74.4Confident67Low88 Ų8880.6 Ų80.662%0.61545%0.453SS*.Hα-helixtrans-65.5-27.517852.50000112.7N195S191-N195 WeakPolarHBondContact O-CB 3.47Å; S191-N195 PolarHBondContact O-N 3.04Å; S191-N195 VanDerWaalsContact O-N 3.09Å; S191-N195 PolarHBondContact O-ND2 3.29Å; S191-N195 PolarHBondContact O-OD1 2.97Å
192A73.9Confident68.8Low24 Ų2474.7 Ų74.720%0.19843%0.427CS..Hα-helixtrans-68.7-47.8178.900000111.1D190 A194 N195 F196 P258D190-A192 PolarHBondContact O-N 3.22Å; D190-A192 WeakPolarHBondContact OD1-CB 3.25Å; D190-A192 PolarHBondContact OD1-N 3.12Å; D190-A192 VanDerWaalsContact OD1-N 3.09Å; A192-A194 VanDerWaalsContact C-N 3.34Å; A192-A194 PolarHBondContact O-N 3.28Å; A192-N195 PolarHBondContact O-N 2.77Å; A192-F196 WeakPolarHBondContact O-CD2 3.44Å; A192-F196 PolarHBondContact O-N 3.21Å; A192-F196 VanDerWaalsContact O-N 3.11Å; A192-P258 HydrophobicContact CB-CB 3.85Å
193T73.9Confident70.5Confident69 Ų6973 Ų7342%0.42342%0.422SS..Hα-helixtrans-59.4-42.2173.9-59.90000112.3D190 N195 F196 L197D190-T193 PolarHBondContact O-N 3.13Å; D190-T193 VanDerWaalsContact OD2-CB 3.27Å; D190-T193 WeakPolarHBondContact OD2-CB 3.36Å; D190-T193 PolarHBondContact OD2-N 2.93Å; D190-T193 PolarHBondContact OD2-OG1 3.48Å; T193-N195 VanDerWaalsContact C-N 3.32Å; T193-N195 PolarHBondContact O-N 2.71Å; T193-F196 PolarHBondContact O-N 2.93Å; T193-L197 HydrophobicContact CG2-CD1 4.25Å; T193-L197 WeakPolarHBondContact O-CG 3.45Å; T193-L197 PolarHBondContact O-N 2.68Å
194A72.9Confident72.7Confident7 Ų772.2 Ų72.26%0.05842%0.418CS..Hα-helixtrans-60.1-42176.300000112.3L182 F188 D190 A192 L197 A198L182-A194 HydrophobicContact CD2-CB 4.25Å; F188-A194 HydrophobicContact CB-CB 3.68Å; F188-A194 HydrophobicContact CD1-CB 3.96Å; F188-A194 HydrophobicContact CD2-CB 3.78Å; F188-A194 HydrophobicContact CE2-CB 4.43Å; F188-A194 HydrophobicContact CG-CB 3.51Å; D190-A194 PolarHBondContact O-N 3.1Å; A192-A194 VanDerWaalsContact C-N 3.34Å; A192-A194 PolarHBondContact O-N 3.28Å; A194-L197 PolarHBondContact O-N 2.68Å; A194-A198 WeakPolarHBondContact O-CB 3.3Å; A194-A198 PolarHBondContact O-N 3.22Å
195N76.9Confident75Confident92 Ų9265.9 Ų65.949%0.49239%0.386SS..Hα-helixtrans-65.3-40.1178.3-69.5-18.7000111.8S191 A192 T193 L197 A198 E199S191-N195 WeakPolarHBondContact O-CB 3.47Å; S191-N195 PolarHBondContact O-N 3.04Å; S191-N195 VanDerWaalsContact O-N 3.09Å; S191-N195 PolarHBondContact O-ND2 3.29Å; S191-N195 PolarHBondContact O-OD1 2.97Å; A192-N195 PolarHBondContact O-N 2.77Å; T193-N195 VanDerWaalsContact C-N 3.32Å; T193-N195 PolarHBondContact O-N 2.71Å; N195-L197 PolarHBondContact O-N 3.13Å; N195-A198 PolarHBondContact O-N 3.28Å; N195-E199 WeakPolarHBondContact O-CB 3.09Å; N195-E199 WeakPolarHBondContact O-CG 3.41Å; N195-E199 PolarHBondContact O-N 2.92Å
196F77.6Confident77.1Confident30 Ų3062.5 Ų62.513%0.13235%0.351CS..Hα-helixtrans-60.9-45.6175.2-70.8-57.1000112.7A192 T193 A198 E199 G200 I201 A254 P258 L259A192-F196 WeakPolarHBondContact O-CD2 3.44Å; A192-F196 PolarHBondContact O-N 3.21Å; A192-F196 VanDerWaalsContact O-N 3.11Å; T193-F196 PolarHBondContact O-N 2.93Å; F196-A198 VanDerWaalsContact C-N 3.32Å; F196-A198 PolarHBondContact O-N 3.27Å; F196-E199 CarbonylContact O-C 3.31Å; F196-E199 WeakPolarHBondContact O-CA 3.42Å; F196-E199 PolarHBondContact O-N 3.2Å; F196-E199 VanDerWaalsContact O-N 3.16Å; F196-G200 PolarHBondContact O-N 2.95Å; F196-I201 HydrophobicContact CB-CB 4.27Å; F196-I201 HydrophobicContact CD1-CB 4.15Å; F196-I201 HydrophobicContact CD1-CD1 4.14Å; F196-I201 HydrophobicContact CD1-CG2 4.18Å; F196-I201 PolarHBondContact O-N 3.49Å; F196-A254 HydrophobicContact CE1-CB 4.21Å; F196-P258 HydrophobicContact CD1-CG 4.46Å; F196-P258 HydrophobicContact CE1-CB 4.12Å; F196-P258 HydrophobicContact CE1-CG 3.59Å; F196-P258 HydrophobicContact CE2-CB 3.73Å; F196-P258 HydrophobicContact CE2-CG 4.09Å; F196-P258 HydrophobicContact CZ-CB 3.33Å; F196-P258 HydrophobicContact CZ-CG 3.34Å; F196-L259 HydrophobicContact CE1-CD1 4.11Å; F196-L259 HydrophobicContact CE1-CD2 4.06Å; F196-L259 HydrophobicContact CE1-CG 3.78Å; F196-L259 HydrophobicContact CE2-CD2 3.81Å; F196-L259 HydrophobicContact CE2-CG 4.36Å; F196-L259 HydrophobicContact CZ-CD1 4.17Å; F196-L259 HydrophobicContact CZ-CD2 3.31Å; F196-L259 HydrophobicContact CZ-CG 3.39Å
197L77.8Confident79Confident42 Ų4258 Ų5822%0.2232%0.324CS..Hα-helixtrans-67.7-34.5-179-63.8174.1000112.1V180 F188 T193 A194 N195 E199 G200 F202V180-L197 HydrophobicContact CB-CB 4.29Å; V180-L197 HydrophobicContact CG2-CB 4.12Å; V180-L197 PolarHBondContact N-O 3.47Å; F188-L197 HydrophobicContact CE1-CD1 3.72Å; F188-L197 HydrophobicContact CZ-CD1 4.33Å; T193-L197 HydrophobicContact CG2-CD1 4.25Å; T193-L197 WeakPolarHBondContact O-CG 3.45Å; T193-L197 PolarHBondContact O-N 2.68Å; A194-L197 PolarHBondContact O-N 2.68Å; N195-L197 PolarHBondContact O-N 3.13Å; L197-E199 VanDerWaalsContact C-N 3.35Å; L197-G200 PolarHBondContact O-N 3.03Å; L197-F202 HydrophobicContact CD2-CD1 3.42Å; L197-F202 VanDerWaalsContact CD2-CD1 3.42Å; L197-F202 HydrophobicContact CD2-CE1 3.59Å
198A76.2Confident81Confident35 Ų3555.4 Ų55.429%0.28931%0.305SS..Hα-helixtrans-66.7-38171.800000111.8S179 L182 A194 N195 F196 G200S179-A198 WeakPolarHBondContact CB-O 3.32Å; L182-A198 HydrophobicContact CD1-CB 3.81Å; L182-A198 HydrophobicContact CG-CB 4.13Å; A194-A198 WeakPolarHBondContact O-CB 3.3Å; A194-A198 PolarHBondContact O-N 3.22Å; N195-A198 PolarHBondContact O-N 3.28Å; F196-A198 VanDerWaalsContact C-N 3.32Å; F196-A198 PolarHBondContact O-N 3.27Å; A198-G200 PolarHBondContact O-N 3.34Å
199E78.4Confident83Confident107 Ų10752.2 Ų52.250%0.529%0.291SS..THydrogen-bonded Turntrans-77.4-3.3173.1-70.5-59.9147.600113.2N195 F196 L197 I201 K250N195-E199 WeakPolarHBondContact O-CB 3.09Å; N195-E199 WeakPolarHBondContact O-CG 3.41Å; N195-E199 PolarHBondContact O-N 2.92Å; F196-E199 CarbonylContact O-C 3.31Å; F196-E199 WeakPolarHBondContact O-CA 3.42Å; F196-E199 PolarHBondContact O-N 3.2Å; F196-E199 VanDerWaalsContact O-N 3.16Å; L197-E199 VanDerWaalsContact C-N 3.35Å; E199-I201 VanDerWaalsContact C-N 3.34Å; E199-I201 HydrophobicContact CB-CD1 4.36Å; E199-I201 HydrophobicContact CB-CG1 4.46Å; E199-K250 WeakPolarHBondContact O-CE 3.38Å; E199-K250 PolarHBondContact O-NZ 3.23Å; E199-K250 WeakPolarHBondContact OE2-CE 3.43Å; E199-K250 IonicContact OE2-NZ 2.74Å; E199-K250 PolarHBondContact OE2-NZ 3.46Å
200G84.3Confident84.7Confident11 Ų1143.3 Ų43.311%0.11325%0.25CS..THydrogen-bonded Turntrans70.227.3-179.800000114.3F196 L197 A198 F202F196-G200 PolarHBondContact O-N 2.95Å; L197-G200 PolarHBondContact O-N 3.03Å; A198-G200 PolarHBondContact O-N 3.34Å; G200-F202 VanDerWaalsContact C-CE2 3.43Å; G200-F202 VanDerWaalsContact CA-CE2 3.43Å; G200-F202 VanDerWaalsContact O-CD2 3.29Å; G200-F202 WeakPolarHBondContact O-CD2 3.44Å; G200-F202 WeakPolarHBondContact O-CE2 3.35Å
201I88.6Confident85.8Confident13 Ų1340.7 Ų40.77%0.06724%0.236CC..  trans-98.2110.2173.1-60.9170.5000107.8F196 E199 H206 L207 M210 A254F196-I201 HydrophobicContact CB-CB 4.27Å; F196-I201 HydrophobicContact CD1-CB 4.15Å; F196-I201 HydrophobicContact CD1-CD1 4.14Å; F196-I201 HydrophobicContact CD1-CG2 4.18Å; F196-I201 PolarHBondContact O-N 3.49Å; E199-I201 VanDerWaalsContact C-N 3.34Å; E199-I201 HydrophobicContact CB-CD1 4.36Å; E199-I201 HydrophobicContact CB-CG1 4.46Å; I201-H206 HydrophobicContact CG2-CB 4.36Å; I201-L207 HydrophobicContact CD1-CD2 4.2Å; I201-L207 HydrophobicContact CG2-CD2 4.06Å; I201-L207 HydrophobicContact CG2-CG 4.11Å; I201-M210 HydrophobicContact CD1-CE 3.98Å; I201-M210 HydrophobicContact CD1-SD 4.48Å; I201-M210 HydrophobicContact CG1-CE 3.6Å; I201-A254 HydrophobicContact CD1-CB 3.68Å
202F88.8Confident86.9Confident52 Ų5238.2 Ų38.223%0.22821%0.213CC..  trans-114.5-11.3-173.9-55.9-83.1000114.2R177 V180 L197 G200 H206R177-F202 HydrophobicContact CB-CD2 3.98Å; R177-F202 HydrophobicContact CB-CE2 3.49Å; R177-F202 VanDerWaalsContact CB-CE2 3.49Å; R177-F202 HydrophobicContact CB-CZ 3.9Å; R177-F202 HydrophobicContact CG-CD2 4.42Å; R177-F202 HydrophobicContact CG-CE2 4.38Å; V180-F202 HydrophobicContact CG2-CE1 4.37Å; L197-F202 HydrophobicContact CD2-CD1 3.42Å; L197-F202 VanDerWaalsContact CD2-CD1 3.42Å; L197-F202 HydrophobicContact CD2-CE1 3.59Å; G200-F202 VanDerWaalsContact C-CE2 3.43Å; G200-F202 VanDerWaalsContact CA-CE2 3.43Å; G200-F202 VanDerWaalsContact O-CD2 3.29Å; G200-F202 WeakPolarHBondContact O-CD2 3.44Å; G200-F202 WeakPolarHBondContact O-CE2 3.35Å; F202-H206 AromaticContact CD2-NE2 3.62Å
203S90.9Very high88.1Confident42 Ų4237.1 Ų37.129%0.29420%0.204SC..SBendtrans-163.6166-17965.50000111.7T205 H206S203-T205 PolarHBondContact O-N 3.04Å; S203-T205 PolarHBondContact OG-N 2.99Å; S203-H206 PolarHBondContact N-ND1 3.39Å; S203-H206 WeakPolarHBondContact O-CB 3.44Å; S203-H206 PolarHBondContact O-N 2.93Å; S203-H206 PolarHBondContact OG-ND1 2.91Å
204D92.5Very high89.2Confident109 Ų10933.8 Ų33.858%0.58318%0.184SC*.Hα-helixtrans-55-32.7171.6-66.8-16.9000112.4H206 L207 L208 W264D204-H206 PolarHBondContact O-N 3.24Å; D204-L207 PolarHBondContact O-N 3.4Å; D204-L207 VanDerWaalsContact O-N 3.15Å; D204-L208 PolarHBondContact O-N 3.34Å; D204-W264 HydrophobicContact CB-CH2 4.2Å; D204-W264 HydrophobicContact CB-CZ2 3.78Å
205T94.9Very high90.4Very high51 Ų5134.5 Ų34.531%0.31319%0.186SC..Hα-helixtrans-61-33174.9-49.10000112.1W132 M173 S203 T209W132-T205 HydrophobicContact CD2-CG2 3.47Å; W132-T205 VanDerWaalsContact CD2-CG2 3.47Å; W132-T205 HydrophobicContact CE3-CG2 3.88Å; W132-T205 HydrophobicContact CG-CG2 3.79Å; W132-T205 HydrophobicContact CH2-CG2 4.42Å; W132-T205 HydrophobicContact CZ2-CG2 4.04Å; W132-T205 HydrophobicContact CZ3-CG2 4.35Å; M173-T205 HydrophobicContact CE-CG2 3.85Å; S203-T205 PolarHBondContact O-N 3.04Å; S203-T205 PolarHBondContact OG-N 2.99Å; T205-T209 VanDerWaalsContact O-CB 3.27Å; T205-T209 WeakPolarHBondContact O-CB 3.23Å; T205-T209 PolarHBondContact O-N 2.93Å; T205-T209 PolarHBondContact O-OG1 3.25Å
206H94.6Very high91.4Very high1 Ų130.1 Ų30.11%0.00516%0.162CC..Hα-helixtrans-67.3-40.7175.3-69.374.6000111.3E128 L174 I201 F202 S203 D204 T209 M210E128-H206 IonicContact OE1-CE1 2.85Å; E128-H206 PolarHBondContact OE1-CE1 3.45Å; E128-H206 IonicContact OE1-ND1 3.84Å; E128-H206 IonicContact OE1-NE2 3.74Å; E128-H206 IonicContact OE2-CE1 3.93Å; L174-H206 HydrophobicContact CD2-CB 4.09Å; I201-H206 HydrophobicContact CG2-CB 4.36Å; F202-H206 AromaticContact CD2-NE2 3.62Å; S203-H206 PolarHBondContact N-ND1 3.39Å; S203-H206 WeakPolarHBondContact O-CB 3.44Å; S203-H206 PolarHBondContact O-N 2.93Å; S203-H206 PolarHBondContact OG-ND1 2.91Å; D204-H206 PolarHBondContact O-N 3.24Å; H206-T209 WeakPolarHBondContact O-CB 3.34Å; H206-T209 PolarHBondContact O-N 3.45Å; H206-M210 WeakPolarHBondContact O-CG 3.3Å; H206-M210 PolarHBondContact O-N 3.22Å
207L94.8Very high92.4Very high3 Ų328.7 Ų28.72%0.01616%0.156CC..Hα-helixtrans-66.7-44.7177.1-63.9165.1000111.1I201 D204 T209 M210 M211 Y251 A254 L259 W264I201-L207 HydrophobicContact CD1-CD2 4.2Å; I201-L207 HydrophobicContact CG2-CD2 4.06Å; I201-L207 HydrophobicContact CG2-CG 4.11Å; D204-L207 PolarHBondContact O-N 3.4Å; D204-L207 VanDerWaalsContact O-N 3.15Å; L207-T209 VanDerWaalsContact C-N 3.27Å; L207-T209 PolarHBondContact O-N 2.95Å; L207-M210 WeakPolarHBondContact O-CB 3.45Å; L207-M210 PolarHBondContact O-N 3.24Å; L207-M210 VanDerWaalsContact O-N 3.14Å; L207-M211 PolarHBondContact O-N 3Å; L207-M211 VanDerWaalsContact O-N 3.09Å; L207-Y251 HydrophobicContact CB-CD2 4.37Å; L207-Y251 HydrophobicContact CB-CE2 4.29Å; L207-Y251 HydrophobicContact CD2-CD2 4.46Å; L207-Y251 WeakPolarHBondContact O-CD2 3.45Å; L207-A254 HydrophobicContact CD2-CB 3.93Å; L207-L259 HydrophobicContact CD1-CD1 3.2Å; L207-L259 HydrophobicContact CD2-CD1 4.07Å; L207-L259 HydrophobicContact CG-CD1 4.25Å; L207-W264 HydrophobicContact CB-CE3 4.41Å; L207-W264 HydrophobicContact CB-CH2 3.72Å; L207-W264 HydrophobicContact CB-CZ2 3.94Å; L207-W264 HydrophobicContact CB-CZ3 3.98Å; L207-W264 HydrophobicContact CD1-CD2 4.22Å; L207-W264 HydrophobicContact CD1-CH2 4.23Å; L207-W264 HydrophobicContact CD1-CZ2 3.57Å; L207-W264 HydrophobicContact CG-CZ2 4.42Å
208L96.6Very high93.2Very high58 Ų5828.5 Ų28.530%0.30415%0.153SC..Hα-helixtrans-61.5-38.7175.2-169.763.2000111.5W132 D204 M210 M211 Y212W132-L208 HydrophobicContact CH2-CB 4.12Å; W132-L208 HydrophobicContact CH2-CD2 3.71Å; W132-L208 HydrophobicContact CH2-CG 3.77Å; W132-L208 HydrophobicContact CZ2-CD2 3.74Å; W132-L208 HydrophobicContact CZ2-CG 4.32Å; D204-L208 PolarHBondContact O-N 3.34Å; L208-M210 VanDerWaalsContact C-N 3.35Å; L208-M210 PolarHBondContact O-N 3.47Å; L208-M211 PolarHBondContact O-N 3.34Å; L208-Y212 HydrophobicContact CD1-CD1 4.19Å; L208-Y212 HydrophobicContact CD1-CE1 3.61Å; L208-Y212 HydrophobicContact CG-CD1 4.33Å; L208-Y212 HydrophobicContact CG-CE1 3.91Å; L208-Y212 HydrophobicContact CG-CE2 4.4Å; L208-Y212 PolarHBondContact O-N 3.32Å
209T97.9Very high94.2Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-58.4-45172.7-620000112.1W132 L170 M173 L174 T205 H206 L207 M211 Y212 I213W132-T209 HydrophobicContact CZ3-CG2 4.46Å; W132-T209 WeakPolarHBondContact CZ3-OG1 3.3Å; L170-T209 HydrophobicContact CB-CG2 3.78Å; L170-T209 HydrophobicContact CD2-CG2 4Å; L170-T209 HydrophobicContact CG-CG2 4.33Å; M173-T209 HydrophobicContact SD-CG2 4.01Å; M173-T209 PolarHBondContact SD-OG1 3.36Å; L174-T209 HydrophobicContact CD1-CG2 4.05Å; L174-T209 HydrophobicContact CD2-CG2 3.8Å; L174-T209 HydrophobicContact CG-CG2 3.68Å; T205-T209 VanDerWaalsContact O-CB 3.27Å; T205-T209 WeakPolarHBondContact O-CB 3.23Å; T205-T209 PolarHBondContact O-N 2.93Å; T205-T209 PolarHBondContact O-OG1 3.25Å; H206-T209 WeakPolarHBondContact O-CB 3.34Å; H206-T209 PolarHBondContact O-N 3.45Å; L207-T209 VanDerWaalsContact C-N 3.27Å; L207-T209 PolarHBondContact O-N 2.95Å; T209-M211 VanDerWaalsContact C-N 3.34Å; T209-M211 PolarHBondContact O-N 3.49Å; T209-Y212 PolarHBondContact O-N 2.91Å; T209-I213 HydrophobicContact CG2-CD1 3.91Å; T209-I213 HydrophobicContact CG2-CG1 4.44Å; T209-I213 VanDerWaalsContact O-CG1 3.3Å; T209-I213 WeakPolarHBondContact O-CG1 3.31Å; T209-I213 PolarHBondContact O-N 3.42Å
210M97.6Very high94.9Very high3 Ų322.3 Ų22.32%0.01512%0.118CC..Hα-helixtrans-61.3-43.8177.5-67.2177.4-172.200111.5L174 I201 H206 L207 L208 I213 G214 I247 K250 Y251L174-M210 HydrophobicContact CD1-CG 4.23Å; L174-M210 HydrophobicContact CD2-CE 4.41Å; I201-M210 HydrophobicContact CD1-CE 3.98Å; I201-M210 HydrophobicContact CD1-SD 4.48Å; I201-M210 HydrophobicContact CG1-CE 3.6Å; H206-M210 WeakPolarHBondContact O-CG 3.3Å; H206-M210 PolarHBondContact O-N 3.22Å; L207-M210 WeakPolarHBondContact O-CB 3.45Å; L207-M210 PolarHBondContact O-N 3.24Å; L207-M210 VanDerWaalsContact O-N 3.14Å; L208-M210 VanDerWaalsContact C-N 3.35Å; L208-M210 PolarHBondContact O-N 3.47Å; M210-I213 PolarHBondContact O-N 3.14Å; M210-G214 PolarHBondContact O-N 3.35Å; M210-I247 VanDerWaalsContact CA-CG2 3.42Å; M210-I247 HydrophobicContact CB-CG2 3.54Å; M210-I247 HydrophobicContact CG-CG2 3.87Å; M210-I247 WeakPolarHBondContact O-CG2 3.5Å; M210-K250 HydrophobicContact CE-CD 3.82Å; M210-K250 HydrophobicContact CE-CG 4.11Å; M210-K250 HydrophobicContact SD-CB 4.4Å; M210-K250 HydrophobicContact SD-CD 4.27Å; M210-K250 HydrophobicContact SD-CG 4.03Å; M210-Y251 HydrophobicContact CB-CD2 4.31Å
211M97.8Very high95.3Very high18 Ų1822.3 Ų22.39%0.08912%0.116CC..Hα-helixtrans-61.4-48.1176.3-170.568-140.800111.7L207 L208 T209 I213 G214 E215 L248 Y251 N268 A269 I272L207-M211 PolarHBondContact O-N 3Å; L207-M211 VanDerWaalsContact O-N 3.09Å; L208-M211 PolarHBondContact O-N 3.34Å; T209-M211 VanDerWaalsContact C-N 3.34Å; T209-M211 PolarHBondContact O-N 3.49Å; M211-I213 VanDerWaalsContact C-N 3.35Å; M211-I213 PolarHBondContact O-N 2.94Å; M211-G214 PolarHBondContact O-N 3.35Å; M211-G214 VanDerWaalsContact O-N 3.08Å; M211-E215 HydrophobicContact CE-CG 3.46Å; M211-E215 VanDerWaalsContact CE-CG 3.46Å; M211-E215 PolarHBondContact O-N 2.95Å; M211-L248 HydrophobicContact CE-CD2 4.44Å; M211-L248 HydrophobicContact SD-CD2 4.17Å; M211-Y251 HydrophobicContact CB-CE2 4.37Å; M211-Y251 HydrophobicContact SD-CD1 4.48Å; M211-Y251 HydrophobicContact SD-CE1 4.12Å; M211-N268 HydrophobicContact CE-CB 4.21Å; M211-N268 WeakPolarHBondContact CE-ND2 3.45Å; M211-A269 HydrophobicContact CE-CB 4.46Å; M211-A269 HydrophobicContact SD-CB 4.01Å; M211-I272 HydrophobicContact CE-CD1 3.83Å
212Y98.5Very high95.5Very high36 Ų3626.5 Ų26.514%0.14113%0.134CC..Hα-helixtrans-60.6-42179.6-76.69.7000112.1W132 A136 Y139 L208 T209 G214 E215 M216W132-Y212 AromaticContact CH2-CD2 3.6Å; W132-Y212 HydrophobicContact CH2-CD2 3.6Å; W132-Y212 AromaticContact CH2-CE2 3.55Å; W132-Y212 HydrophobicContact CH2-CE2 3.55Å; W132-Y212 HydrophobicContact CH2-CG 4.47Å; W132-Y212 HydrophobicContact CZ2-CE2 4.14Å; W132-Y212 AromaticContact CZ3-CD2 3.95Å; W132-Y212 HydrophobicContact CZ3-CD2 3.95Å; W132-Y212 HydrophobicContact CZ3-CE2 4.33Å; A136-Y212 HydrophobicContact CB-CE2 4.3Å; Y139-Y212 AromaticContact CD1-CD1 3.93Å; Y139-Y212 HydrophobicContact CD1-CD1 3.93Å; Y139-Y212 AromaticContact CD1-CD2 3.54Å; Y139-Y212 HydrophobicContact CD1-CD2 3.54Å; Y139-Y212 AromaticContact CD1-CE1 3.77Å; Y139-Y212 HydrophobicContact CD1-CE1 3.77Å; Y139-Y212 AromaticContact CD1-CE2 3.34Å; Y139-Y212 HydrophobicContact CD1-CE2 3.34Å; Y139-Y212 AromaticContact CD1-CG 3.82Å; Y139-Y212 HydrophobicContact CD1-CG 3.82Å; Y139-Y212 AromaticContact CD1-CZ 3.45Å; Y139-Y212 VanDerWaalsContact CD1-CZ 3.45Å; Y139-Y212 AromaticContact CD2-CD1 3.93Å; Y139-Y212 HydrophobicContact CD2-CD1 3.93Å; Y139-Y212 HydrophobicContact CD2-CD2 4.03Å; Y139-Y212 AromaticContact CD2-CG 3.64Å; Y139-Y212 HydrophobicContact CD2-CG 3.64Å; Y139-Y212 AromaticContact CE1-CD1 3.69Å; Y139-Y212 HydrophobicContact CE1-CD1 3.69Å; Y139-Y212 HydrophobicContact CE1-CD2 4.14Å; Y139-Y212 AromaticContact CE1-CE1 3.33Å; Y139-Y212 HydrophobicContact CE1-CE1 3.33Å; Y139-Y212 AromaticContact CE1-CE2 3.81Å; Y139-Y212 HydrophobicContact CE1-CE2 3.81Å; Y139-Y212 HydrophobicContact CE1-CG 4.08Å; Y139-Y212 AromaticContact CE1-CZ 3.38Å; Y139-Y212 AromaticContact CE2-CD1 3.69Å; Y139-Y212 HydrophobicContact CE2-CD1 3.69Å; Y139-Y212 HydrophobicContact CE2-CE1 4.19Å; Y139-Y212 AromaticContact CE2-CG 3.92Å; Y139-Y212 HydrophobicContact CE2-CG 3.92Å; Y139-Y212 HydrophobicContact CG-CD1 4.06Å; Y139-Y212 AromaticContact CG-CD2 3.49Å; Y139-Y212 HydrophobicContact CG-CD2 3.49Å; Y139-Y212 VanDerWaalsContact CG-CD2 3.49Å; Y139-Y212 HydrophobicContact CG-CE1 4.37Å; Y139-Y212 AromaticContact CG-CE2 3.83Å; Y139-Y212 HydrophobicContact CG-CE2 3.83Å; Y139-Y212 AromaticContact CG-CG 3.61Å; Y139-Y212 HydrophobicContact CG-CG 3.61Å; Y139-Y212 AromaticContact CZ-CD1 3.59Å; Y139-Y212 AromaticContact CZ-CE1 3.59Å; L208-Y212 HydrophobicContact CD1-CD1 4.19Å; L208-Y212 HydrophobicContact CD1-CE1 3.61Å; L208-Y212 HydrophobicContact CG-CD1 4.33Å; L208-Y212 HydrophobicContact CG-CE1 3.91Å; L208-Y212 HydrophobicContact CG-CE2 4.4Å; L208-Y212 PolarHBondContact O-N 3.32Å; T209-Y212 PolarHBondContact O-N 2.91Å; Y212-G214 VanDerWaalsContact C-N 3.32Å; Y212-G214 PolarHBondContact O-N 3.47Å; Y212-E215 PolarHBondContact O-N 3.16Å; Y212-M216 WeakPolarHBondContact O-CB 3.4Å; Y212-M216 VanDerWaalsContact O-CG 3.23Å; Y212-M216 WeakPolarHBondContact O-CG 3.26Å; Y212-M216 PolarHBondContact O-N 3.45Å
213I98.5Very high95.4Very high0 Ų025.6 Ų25.60%013%0.129CC..Hα-helixtrans-58.5-47.2173.7-70.3166.6000110.3V167 L170 M171 L174 T209 M210 M211 M216 C217 I243 I247V167-I213 HydrophobicContact CG1-CG2 4.2Å; L170-I213 HydrophobicContact CB-CD1 3.77Å; L170-I213 HydrophobicContact CB-CG1 3.47Å; L170-I213 VanDerWaalsContact CB-CG1 3.47Å; L170-I213 HydrophobicContact CD1-CG1 3.86Å; L170-I213 HydrophobicContact CG-CG1 4.33Å; M171-I213 HydrophobicContact CG-CD1 4.24Å; L174-I213 HydrophobicContact CD1-CD1 3.69Å; T209-I213 HydrophobicContact CG2-CD1 3.91Å; T209-I213 HydrophobicContact CG2-CG1 4.44Å; T209-I213 VanDerWaalsContact O-CG1 3.3Å; T209-I213 WeakPolarHBondContact O-CG1 3.31Å; T209-I213 PolarHBondContact O-N 3.42Å; M210-I213 PolarHBondContact O-N 3.14Å; M211-I213 VanDerWaalsContact C-N 3.35Å; M211-I213 PolarHBondContact O-N 2.94Å; I213-M216 PolarHBondContact O-N 2.83Å; I213-C217 WeakPolarHBondContact O-CB 3.44Å; I213-C217 PolarHBondContact O-N 3.24Å; I213-C217 PolarHBondContact O-SG 3.44Å; I213-I243 HydrophobicContact CG2-CG2 3.82Å; I213-I247 HydrophobicContact CB-CG2 4.07Å; I213-I247 HydrophobicContact CD1-CG2 4.45Å; I213-I247 HydrophobicContact CG2-CB 4.2Å; I213-I247 HydrophobicContact CG2-CG1 4.1Å; I213-I247 HydrophobicContact CG2-CG2 4.07Å
214G97.9Very high95.1Very high0 Ų025.8 Ų25.80%013%0.125CC..Hα-helixtrans-59.2-47.5-179.600000113.1M210 M211 Y212 C217 F218M210-G214 PolarHBondContact O-N 3.35Å; M211-G214 PolarHBondContact O-N 3.35Å; M211-G214 VanDerWaalsContact O-N 3.08Å; Y212-G214 VanDerWaalsContact C-N 3.32Å; Y212-G214 PolarHBondContact O-N 3.47Å; G214-C217 PolarHBondContact O-N 2.72Å; G214-F218 WeakPolarHBondContact O-CB 3.17Å; G214-F218 PolarHBondContact O-N 3Å
215E97.8Very high93.9Very high22 Ų2226.2 Ų26.210%0.10313%0.127CC..Hα-helixtrans-65.1-43.1177.9-69.4-172.9117.500112.4Y139 M211 Y212 C217 F218 W219 N268 I272Y139-E215 HydrophobicContact CE2-CB 4.1Å; Y139-E215 WeakPolarHBondContact CE2-OE2 3.38Å; Y139-E215 PolarHBondContact OH-OE2 3.37Å; M211-E215 HydrophobicContact CE-CG 3.46Å; M211-E215 VanDerWaalsContact CE-CG 3.46Å; M211-E215 PolarHBondContact O-N 2.95Å; Y212-E215 PolarHBondContact O-N 3.16Å; E215-C217 VanDerWaalsContact C-N 3.33Å; E215-C217 PolarHBondContact O-N 2.92Å; E215-F218 WeakPolarHBondContact O-CB 3.35Å; E215-F218 PolarHBondContact O-N 2.9Å; E215-W219 HydrophobicContact CB-CH2 4.1Å; E215-W219 HydrophobicContact CB-CZ2 3.96Å; E215-W219 VanDerWaalsContact O-CD2 3.3Å; E215-W219 VanDerWaalsContact O-CG 3.25Å; E215-W219 PolarHBondContact O-N 2.83Å; E215-N268 PolarHBondContact OE1-ND2 3.25Å; E215-I272 HydrophobicContact CG-CD1 3.71Å
216M98Very high92.1Very high0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-63.9-40.1177.1-68.517886.300111.8L138 Y139 L163 V167 L170 Y212 I213 W219 A220L138-M216 HydrophobicContact CB-CE 4.29Å; Y139-M216 HydrophobicContact CD2-CG 3.84Å; Y139-M216 HydrophobicContact CD2-SD 4.06Å; Y139-M216 HydrophobicContact CG-SD 4.45Å; L163-M216 HydrophobicContact CD2-CB 3.92Å; L163-M216 HydrophobicContact CD2-CE 3.96Å; L163-M216 HydrophobicContact CD2-CG 3.98Å; V167-M216 HydrophobicContact CG2-CB 3.69Å; L170-M216 HydrophobicContact CD1-SD 4.14Å; Y212-M216 WeakPolarHBondContact O-CB 3.4Å; Y212-M216 VanDerWaalsContact O-CG 3.23Å; Y212-M216 WeakPolarHBondContact O-CG 3.26Å; Y212-M216 PolarHBondContact O-N 3.45Å; I213-M216 PolarHBondContact O-N 2.83Å; M216-W219 HydrophobicContact CG-CE3 4.17Å; M216-W219 HydrophobicContact CG-CZ3 4.04Å; M216-W219 PolarHBondContact O-N 3.12Å; M216-A220 WeakPolarHBondContact O-CB 3.29Å; M216-A220 PolarHBondContact O-N 2.94Å
217C97.3Very high90.1Very high0 Ų030.5 Ų30.50%016%0.159CC..Hα-helixtrans-63.1-43.3174.1-71.40000111.7I213 G214 E215 A220 V221 F240I213-C217 WeakPolarHBondContact O-CB 3.44Å; I213-C217 PolarHBondContact O-N 3.24Å; I213-C217 PolarHBondContact O-SG 3.44Å; G214-C217 PolarHBondContact O-N 2.72Å; E215-C217 VanDerWaalsContact C-N 3.33Å; E215-C217 PolarHBondContact O-N 2.92Å; C217-A220 WeakPolarHBondContact O-CB 3.43Å; C217-A220 PolarHBondContact O-N 3.03Å; C217-V221 WeakPolarHBondContact O-CG2 3.44Å; C217-V221 PolarHBondContact O-N 3.21Å; C217-F240 HydrophobicContact CB-CB 4.18Å; C217-F240 HydrophobicContact CB-CD1 4.42Å; C217-F240 VanDerWaalsContact CB-O 3.3Å; C217-F240 WeakPolarHBondContact CB-O 3.38Å
218F96.3Very high88Confident37 Ų3737.4 Ų37.416%0.16220%0.2CC..Hα-helixtrans-59.7-48175167.1-113000112.6G214 E215 A220 V221 K222 I272 I275G214-F218 WeakPolarHBondContact O-CB 3.17Å; G214-F218 PolarHBondContact O-N 3Å; E215-F218 WeakPolarHBondContact O-CB 3.35Å; E215-F218 PolarHBondContact O-N 2.9Å; F218-A220 VanDerWaalsContact C-N 3.3Å; F218-A220 PolarHBondContact O-N 2.91Å; F218-V221 PolarHBondContact O-N 3.48Å; F218-K222 HydrophobicContact CZ-CD 4.32Å; F218-K222 WeakPolarHBondContact O-CB 3.4Å; F218-K222 PolarHBondContact O-N 2.83Å; F218-I272 HydrophobicContact CB-CG1 4.36Å; F218-I272 HydrophobicContact CB-CG2 3.62Å; F218-I272 HydrophobicContact CD1-CG1 4.29Å; F218-I272 HydrophobicContact CD2-CG2 4.25Å; F218-I272 HydrophobicContact CG-CG1 4.16Å; F218-I272 HydrophobicContact CG-CG2 4.04Å; F218-I275 HydrophobicContact CD2-CD1 4.48Å; F218-I275 HydrophobicContact CD2-CG2 4.39Å; F218-I275 HydrophobicContact CE2-CB 4.33Å; F218-I275 HydrophobicContact CE2-CD1 3.61Å; F218-I275 HydrophobicContact CE2-CG2 3.99Å; F218-I275 HydrophobicContact CZ-CD1 4.11Å
219W95.9Very high85.7Confident12 Ų1241 Ų415%0.04522%0.22CC..Hα-helixtrans-60.8-42.5175.5-60.3-27.1000110.8Y139 C142 H143 H146 F159 L163 E215 M216 V221 K222 Y223Y139-W219 HydrophobicContact CD2-CH2 4.08Å; Y139-W219 AromaticContact CD2-CZ3 4Å; Y139-W219 HydrophobicContact CD2-CZ3 4Å; Y139-W219 AromaticContact CE2-CH2 3.45Å; Y139-W219 HydrophobicContact CE2-CH2 3.45Å; Y139-W219 VanDerWaalsContact CE2-CH2 3.45Å; Y139-W219 HydrophobicContact CE2-CZ2 4.47Å; Y139-W219 AromaticContact CE2-CZ3 3.84Å; Y139-W219 HydrophobicContact CE2-CZ3 3.84Å; Y139-W219 AromaticContact CZ-CH2 3.99Å; C142-W219 HydrophobicContact CB-CE3 4.24Å; C142-W219 HydrophobicContact CB-CZ3 4.14Å; H143-W219 HydrophobicContact CB-CH2 3.86Å; H143-W219 HydrophobicContact CB-CZ3 4.41Å; H143-W219 AromaticContact ND1-CH2 3.56Å; H143-W219 AromaticContact ND1-CZ2 3.78Å; H146-W219 AromaticContact CD2-CE2 3.48Å; H146-W219 VanDerWaalsContact CD2-CE2 3.48Å; H146-W219 AromaticContact CD2-CH2 3.85Å; H146-W219 AromaticContact CD2-CZ2 3.39Å; H146-W219 WeakPolarHBondContact CD2-CZ2 3.3Å; H146-W219 AromaticContact CD2-NE1 3.92Å; H146-W219 AromaticContact NE2-CE2 3.87Å; H146-W219 AromaticContact NE2-CZ2 3.5Å; H146-W219 WeakPolarHBondContact NE2-CZ2 3.45Å; F159-W219 HydrophobicContact CE1-CB 4.36Å; F159-W219 HydrophobicContact CZ-CB 4.4Å; L163-W219 HydrophobicContact CD1-CB 3.91Å; L163-W219 HydrophobicContact CD2-CB 4.37Å; L163-W219 HydrophobicContact CD2-CE3 3.81Å; E215-W219 HydrophobicContact CB-CH2 4.1Å; E215-W219 HydrophobicContact CB-CZ2 3.96Å; E215-W219 VanDerWaalsContact O-CD2 3.3Å; E215-W219 VanDerWaalsContact O-CG 3.25Å; E215-W219 PolarHBondContact O-N 2.83Å; M216-W219 HydrophobicContact CG-CE3 4.17Å; M216-W219 HydrophobicContact CG-CZ3 4.04Å; M216-W219 PolarHBondContact O-N 3.12Å; W219-V221 PolarHBondContact O-N 2.64Å; W219-K222 PolarHBondContact O-N 2.77Å; W219-Y223 WeakPolarHBondContact O-CD2 3.27Å; W219-Y223 PolarHBondContact O-N 2.83Å
220A94.2Very high83.2Confident0 Ų044.2 Ų44.20%024%0.243CC..Hα-helixtrans-58.3-52.4178.400000111.3L160 L163 M216 C217 F218 K222 Y223 E224 F240L160-A220 HydrophobicContact CD2-CB 4.38Å; L163-A220 HydrophobicContact CB-CB 4.48Å; L163-A220 HydrophobicContact CD1-CB 3.84Å; M216-A220 WeakPolarHBondContact O-CB 3.29Å; M216-A220 PolarHBondContact O-N 2.94Å; C217-A220 WeakPolarHBondContact O-CB 3.43Å; C217-A220 PolarHBondContact O-N 3.03Å; F218-A220 VanDerWaalsContact C-N 3.3Å; F218-A220 PolarHBondContact O-N 2.91Å; A220-K222 PolarHBondContact O-N 3.36Å; A220-Y223 PolarHBondContact O-N 3.48Å; A220-E224 WeakPolarHBondContact O-CB 3.41Å; A220-E224 WeakPolarHBondContact O-CG 3.32Å; A220-E224 PolarHBondContact O-N 3.47Å; A220-F240 HydrophobicContact CB-CB 4.11Å; A220-F240 HydrophobicContact CB-CD1 3.68Å; A220-F240 HydrophobicContact CB-CD2 3.49Å; A220-F240 VanDerWaalsContact CB-CD2 3.49Å; A220-F240 HydrophobicContact CB-CE1 3.84Å; A220-F240 HydrophobicContact CB-CE2 3.67Å; A220-F240 HydrophobicContact CB-CG 3.49Å; A220-F240 VanDerWaalsContact CB-CG 3.49Å; A220-F240 HydrophobicContact CB-CZ 3.83Å
221V92.8Very high80.8Confident11 Ų1150.1 Ų50.17%0.06728%0.279CS..Hα-helixtrans-56.7-48.7177.61710000111.3C217 F218 W219 Y223 E224 D225 F240 R241 L276C217-V221 WeakPolarHBondContact O-CG2 3.44Å; C217-V221 PolarHBondContact O-N 3.21Å; F218-V221 PolarHBondContact O-N 3.48Å; W219-V221 PolarHBondContact O-N 2.64Å; V221-Y223 VanDerWaalsContact C-N 3.26Å; V221-Y223 PolarHBondContact O-N 3.13Å; V221-E224 PolarHBondContact O-N 3.33Å; V221-D225 PolarHBondContact O-N 3.4Å; V221-F240 HydrophobicContact CG2-CB 3.98Å; V221-R241 HydrophobicContact CG2-CB 4.23Å; V221-L276 HydrophobicContact CB-CD2 4.2Å; V221-L276 HydrophobicContact CG1-CD2 4.37Å; V221-L276 HydrophobicContact CG2-CD2 3.91Å
222K91.4Very high78.3Confident102 Ų10257 Ų5744%0.44331%0.311SS..Hα-helixtrans-55.3-39.9179.5-179.4-179.6-179.2179.30112.9F218 W219 A220 C226F218-K222 HydrophobicContact CZ-CD 4.32Å; F218-K222 WeakPolarHBondContact O-CB 3.4Å; F218-K222 PolarHBondContact O-N 2.83Å; W219-K222 PolarHBondContact O-N 2.77Å; A220-K222 PolarHBondContact O-N 3.36Å; K222-C226 PolarHBondContact O-SG 2.78Å
223Y87.8Confident76Confident32 Ų3265.3 Ų65.313%0.12534%0.342CS..Hα-helixtrans-90.2-26.2-179.8-68.7-73.1000113.1H146 I152 K156 F159 W219 A220 V221 C226H146-Y223 PolarHBondContact O-OH 3.49Å; I152-Y223 HydrophobicContact CB-CE1 4.39Å; I152-Y223 HydrophobicContact CD1-CE1 3.86Å; I152-Y223 HydrophobicContact CD1-CE2 4.14Å; I152-Y223 VanDerWaalsContact CD1-CZ 3.47Å; I152-Y223 WeakPolarHBondContact CD1-OH 3.41Å; I152-Y223 HydrophobicContact CG2-CD1 3.68Å; I152-Y223 HydrophobicContact CG2-CE1 3.6Å; I152-Y223 HydrophobicContact CG2-CG 4.29Å; K156-Y223 WeakPolarHBondContact CE-O 3.21Å; K156-Y223 PolarHBondContact NZ-O 3.03Å; F159-Y223 HydrophobicContact CD1-CD2 4.1Å; F159-Y223 AromaticContact CE1-CD2 3.51Å; F159-Y223 HydrophobicContact CE1-CD2 3.51Å; F159-Y223 AromaticContact CE1-CE2 3.74Å; F159-Y223 HydrophobicContact CE1-CE2 3.74Å; F159-Y223 HydrophobicContact CE1-CG 4.37Å; F159-Y223 HydrophobicContact CZ-CD2 4.45Å; F159-Y223 HydrophobicContact CZ-CE2 4.27Å; W219-Y223 WeakPolarHBondContact O-CD2 3.27Å; W219-Y223 PolarHBondContact O-N 2.83Å; A220-Y223 PolarHBondContact O-N 3.48Å; V221-Y223 VanDerWaalsContact C-N 3.26Å; V221-Y223 PolarHBondContact O-N 3.13Å; Y223-C226 PolarHBondContact O-N 3.05Å
224E83.8Confident73.8Confident46 Ų4673.6 Ų73.622%0.21538%0.378CS..Hα-helixtrans-66.4-44.1172.8-76.7-167145.800111.9L160 A220 V221 C226 S227 R237L160-E224 HydrophobicContact CD1-CG 3.98Å; L160-E224 HydrophobicContact CD2-CG 3.87Å; A220-E224 WeakPolarHBondContact O-CB 3.41Å; A220-E224 WeakPolarHBondContact O-CG 3.32Å; A220-E224 PolarHBondContact O-N 3.47Å; V221-E224 PolarHBondContact O-N 3.33Å; E224-C226 PolarHBondContact O-N 2.96Å; E224-C226 VanDerWaalsContact O-N 3.14Å; E224-S227 WeakPolarHBondContact O-CA 3.32Å; E224-S227 WeakPolarHBondContact O-CB 3.35Å; E224-S227 PolarHBondContact O-N 3.41Å; E224-R237 IonicContact OE1-CZ 3.86Å; E224-R237 VanDerWaalsContact OE1-CZ 3.29Å; E224-R237 IonicContact OE1-NE 3.94Å; E224-R237 PolarHBondContact OE1-NE 2.77Å; E224-R237 IonicContact OE1-NH2 3.03Å; E224-R237 PolarHBondContact OE1-NH2 3.19Å
225D66.6Low71.6Confident118 Ų11883 Ų8363%0.63142%0.422SS*.THydrogen-bonded Turntrans-63.3-22.4177.9-69-20.7000112.5V221 S227 R241V221-D225 PolarHBondContact O-N 3.4Å; D225-S227 PolarHBondContact O-N 2.94Å; D225-R241 IonicContact OD2-NH2 3.79Å
226C57.9Low69.9Low95 Ų9588 Ų8864%0.64245%0.449SS*.THydrogen-bonded Turntrans-78.89.7172.1-640000113.7K156 K222 Y223 E224K156-C226 VanDerWaalsContact NZ-C 3.32Å; K156-C226 PolarHBondContact NZ-O 3.35Å; K222-C226 PolarHBondContact O-SG 2.78Å; Y223-C226 PolarHBondContact O-N 3.05Å; E224-C226 PolarHBondContact O-N 2.96Å; E224-C226 VanDerWaalsContact O-N 3.14Å
227S52.5Low68.8Low48 Ų4891.8 Ų91.834%0.33646%0.464SS..  trans-111.7108.7-176.7-138.50000111.1K156 E224 D225 D229K156-S227 VanDerWaalsContact NZ-CA 3.32Å; K156-S227 PolarHBondContact NZ-OG 3.16Å; K156-S227 VanDerWaalsContact NZ-OG 3.09Å; E224-S227 WeakPolarHBondContact O-CA 3.32Å; E224-S227 WeakPolarHBondContact O-CB 3.35Å; E224-S227 PolarHBondContact O-N 3.41Å; D225-S227 PolarHBondContact O-N 2.94Å; S227-D229 VanDerWaalsContact C-N 3.34Å
228V50.4Low68.2Low147 Ų14793.2 Ų93.289%0.89147%0.471SS*.  trans-84.5-8.3178.1-171.90000112.5
229D48.5Very low68Low134 Ų13498 Ų9872%0.71749%0.494SS*.  trans-145.5121.7-176.9-113.3-28.5000112.1S227S227-D229 VanDerWaalsContact C-N 3.34Å
230S46.4Very low68Low68 Ų6897.7 Ų97.748%0.47649%0.493SS..  trans173.785.8148.838.60000109.6E232S230-E232 PolarHBondContact O-N 3.26Å; S230-E232 VanDerWaalsContact O-N 3.13Å
231T46.6Very low68Low126 Ų126102 Ų10277%0.77351%0.509SS*.  trans-75.819.2174.8-14.60000113.4
232E46Very low68.1Low162 Ų162106.4 Ų106.476%0.75753%0.532SS*.SBendtrans-122.1121-175.9-67.3-170.6173.100111S230S230-E232 PolarHBondContact O-N 3.26Å; S230-E232 VanDerWaalsContact O-N 3.13Å
233R48.5Very low68.3Low212 Ų212102.7 Ų102.780%0.852%0.517SS*.  trans78.371.1176.7-48.8-176.7-160.6-156.63115.8
234K53.6Low68.8Low173 Ų173101.1 Ų101.175%0.75251%0.511SS*.  trans-81.1-23.9168.6-76.7-173.7175-177.30114D236K234-D236 PolarHBondContact O-N 2.98Å
235E51.3Low69.4Low198 Ų198100.2 Ų100.293%0.92551%0.508SS*.THydrogen-bonded Turntrans-75.8-25.1-168.6-72177.4164.900114.8
236D62.5Low70.8Confident126 Ų126101.3 Ų101.367%0.67451%0.51SS*.THydrogen-bonded Turntrans-101.88179.2-93.8-20.7000113.4Q164 R168 K234Q164-D236 PolarHBondContact NE2-O 3.36Å; R168-D236 PolarHBondContact NH2-O 3.35Å; K234-D236 PolarHBondContact O-N 2.98Å
237R73.9Confident72.6Confident81 Ų8197.8 Ų97.831%0.30648%0.484SS..  trans-89.7133-179.6-87.2178.5127.8149.7-3.7110.6E224E224-R237 IonicContact OE1-CZ 3.86Å; E224-R237 VanDerWaalsContact OE1-CZ 3.29Å; E224-R237 IonicContact OE1-NE 3.94Å; E224-R237 PolarHBondContact OE1-NE 2.77Å; E224-R237 IonicContact OE1-NH2 3.03Å; E224-R237 PolarHBondContact OE1-NH2 3.19Å
238L86.1Confident74.8Confident30 Ų3095.5 Ų95.516%0.15747%0.468CS..  trans-67.3142.7173.7-69-178.9000110.4Q164 V167 R168 F240 I243Q164-L238 HydrophobicContact CG-CD1 3.97Å; Q164-L238 HydrophobicContact CG-CG 3.93Å; V167-L238 HydrophobicContact CB-CD1 3.78Å; V167-L238 HydrophobicContact CG1-CD1 3.58Å; R168-L238 HydrophobicContact CG-CD1 4.12Å; R168-L238 HydrophobicContact CG-CD2 4.37Å; L238-F240 HydrophobicContact CB-CD1 4.14Å; L238-F240 HydrophobicContact CB-CE1 3.96Å; L238-F240 HydrophobicContact CB-CE2 4.38Å; L238-F240 HydrophobicContact CB-CG 4.44Å; L238-F240 HydrophobicContact CB-CZ 4.09Å; L238-F240 HydrophobicContact CD1-CE1 3.91Å; L238-F240 HydrophobicContact CD1-CZ 4.42Å; L238-F240 WeakPolarHBondContact O-CD2 3.48Å; L238-F240 PolarHBondContact O-N 3.44Å; L238-I243 HydrophobicContact CB-CD1 3.92Å; L238-I243 HydrophobicContact CD1-CD1 4.43Å; L238-I243 HydrophobicContact CD2-CD1 4.03Å; L238-I243 HydrophobicContact CG-CD1 4.36Å
239H92.1Very high76.9Confident138 Ų13892.3 Ų92.364%0.63944%0.443SS*.  trans-77.373.4168.7-63.4-70000109.8R241 D242 I243H239-R241 VanDerWaalsContact C-N 3.26Å; H239-R241 PolarHBondContact O-N 3.43Å; H239-D242 HydrophobicContact CB-CB 4.11Å; H239-D242 IonicContact CG-OD2 2.83Å; H239-D242 PolarHBondContact O-N 3.25Å; H239-D242 VanDerWaalsContact O-N 3.12Å; H239-I243 WeakPolarHBondContact O-CG1 3.4Å; H239-I243 PolarHBondContact O-N 2.91Å
240F94.5Very high79.1Confident4 Ų488.6 Ų88.62%0.01842%0.421CS..Hα-helixtrans-54.7-39.9-172.9-68.4-67.6000113.2Q164 V167 C217 A220 V221 L238 G244Q164-F240 HydrophobicContact CB-CZ 3.92Å; Q164-F240 HydrophobicContact CG-CZ 4.15Å; V167-F240 HydrophobicContact CG2-CE1 4.26Å; C217-F240 HydrophobicContact CB-CB 4.18Å; C217-F240 HydrophobicContact CB-CD1 4.42Å; C217-F240 VanDerWaalsContact CB-O 3.3Å; C217-F240 WeakPolarHBondContact CB-O 3.38Å; A220-F240 HydrophobicContact CB-CB 4.11Å; A220-F240 HydrophobicContact CB-CD1 3.68Å; A220-F240 HydrophobicContact CB-CD2 3.49Å; A220-F240 VanDerWaalsContact CB-CD2 3.49Å; A220-F240 HydrophobicContact CB-CE1 3.84Å; A220-F240 HydrophobicContact CB-CE2 3.67Å; A220-F240 HydrophobicContact CB-CG 3.49Å; A220-F240 VanDerWaalsContact CB-CG 3.49Å; A220-F240 HydrophobicContact CB-CZ 3.83Å; V221-F240 HydrophobicContact CG2-CB 3.98Å; L238-F240 HydrophobicContact CB-CD1 4.14Å; L238-F240 HydrophobicContact CB-CE1 3.96Å; L238-F240 HydrophobicContact CB-CE2 4.38Å; L238-F240 HydrophobicContact CB-CG 4.44Å; L238-F240 HydrophobicContact CB-CZ 4.09Å; L238-F240 HydrophobicContact CD1-CE1 3.91Å; L238-F240 HydrophobicContact CD1-CZ 4.42Å; L238-F240 WeakPolarHBondContact O-CD2 3.48Å; L238-F240 PolarHBondContact O-N 3.44Å; F240-G244 PolarHBondContact O-N 2.98Å
241R94.8Very high81.4Confident92 Ų9285.8 Ų85.835%0.34740%0.4SS..Hα-helixtrans-61.4-47.7178.2-171.2176.8-71.2-880.6111.7V221 D225 H239 T245 I275 L276V221-R241 HydrophobicContact CG2-CB 4.23Å; D225-R241 IonicContact OD2-NH2 3.79Å; H239-R241 VanDerWaalsContact C-N 3.26Å; H239-R241 PolarHBondContact O-N 3.43Å; R241-T245 VanDerWaalsContact O-CB 3.25Å; R241-T245 WeakPolarHBondContact O-CB 3.45Å; R241-T245 PolarHBondContact O-N 3.14Å; R241-T245 PolarHBondContact O-OG1 3.28Å; R241-I275 PolarHBondContact NH1-O 2.89Å; R241-L276 WeakPolarHBondContact CD-O 3.33Å; R241-L276 HydrophobicContact CG-CB 4.43Å; R241-L276 WeakPolarHBondContact CG-O 3.48Å; R241-L276 PolarHBondContact NH1-O 3.03Å
242D95.2Very high83.7Confident102 Ų10280.6 Ų80.655%0.54537%0.368SS..Hα-helixtrans-69-47.1-178.6-59.2-29.5000111.2H239 T245 Q246H239-D242 HydrophobicContact CB-CB 4.11Å; H239-D242 IonicContact CG-OD2 2.83Å; H239-D242 PolarHBondContact O-N 3.25Å; H239-D242 VanDerWaalsContact O-N 3.12Å; D242-T245 PolarHBondContact O-N 2.64Å; D242-Q246 WeakPolarHBondContact O-CB 3.39Å; D242-Q246 PolarHBondContact O-N 3.47Å
243I96.3Very high86Confident24 Ų2478.9 Ų78.912%0.12336%0.363CS..Hα-helixtrans-60.8-50.7178.8-66.9165.9000110.4V167 M171 I213 L238 H239 T245 Q246 I247V167-I243 HydrophobicContact CG1-CG2 4.16Å; M171-I243 HydrophobicContact SD-CD1 4.04Å; M171-I243 HydrophobicContact SD-CG2 4.01Å; I213-I243 HydrophobicContact CG2-CG2 3.82Å; L238-I243 HydrophobicContact CB-CD1 3.92Å; L238-I243 HydrophobicContact CD1-CD1 4.43Å; L238-I243 HydrophobicContact CD2-CD1 4.03Å; L238-I243 HydrophobicContact CG-CD1 4.36Å; H239-I243 WeakPolarHBondContact O-CG1 3.4Å; H239-I243 PolarHBondContact O-N 2.91Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 2.92Å; I243-Q246 PolarHBondContact O-N 2.86Å; I243-I247 HydrophobicContact CG2-CG1 4.42Å; I243-I247 WeakPolarHBondContact O-CB 3.43Å; I243-I247 WeakPolarHBondContact O-CG1 3.11Å; I243-I247 PolarHBondContact O-N 2.89Å
244G97.1Very high88Confident0 Ų069.2 Ų69.20%033%0.328CS..Hα-helixtrans-60.7-43.8179.900000111.9F240 L248F240-G244 PolarHBondContact O-N 2.98Å; G244-L248 VanDerWaalsContact O-CB 3.27Å; G244-L248 WeakPolarHBondContact O-CB 3.43Å; G244-L248 VanDerWaalsContact O-CG 3.28Å; G244-L248 WeakPolarHBondContact O-CG 3.5Å; G244-L248 PolarHBondContact O-N 3.01Å
245T97.1Very high89.8Confident26 Ų2661.2 Ų61.216%0.1629%0.294CS..Hα-helixtrans-62.9-49.3177.6-59.50000111.6R241 D242 I243 I247 H249 L273 L276 Q277R241-T245 VanDerWaalsContact O-CB 3.25Å; R241-T245 WeakPolarHBondContact O-CB 3.45Å; R241-T245 PolarHBondContact O-N 3.14Å; R241-T245 PolarHBondContact O-OG1 3.28Å; D242-T245 PolarHBondContact O-N 2.64Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 2.92Å; T245-I247 PolarHBondContact O-N 3.43Å; T245-H249 WeakPolarHBondContact O-CB 3.25Å; T245-H249 PolarHBondContact O-CD2 3.27Å; T245-H249 PolarHBondContact O-N 3.41Å; T245-L273 HydrophobicContact CG2-CD2 4.08Å; T245-L276 WeakPolarHBondContact OG1-CB 3.46Å; T245-Q277 HydrophobicContact CG2-CG 4.35Å
246Q95.9Very high91.7Very high142 Ų14255.4 Ų55.466%0.66427%0.267SS*.Hα-helixtrans-60.9-47.6-179.1-175.9-178.120.700111.8D242 I243 K250D242-Q246 WeakPolarHBondContact O-CB 3.39Å; D242-Q246 PolarHBondContact O-N 3.47Å; I243-Q246 PolarHBondContact O-N 2.86Å; Q246-K250 PolarHBondContact O-N 3.29Å
247I96.3Very high92.9Very high21 Ų2151.1 Ų51.111%0.10825%0.253CS..Hα-helixtrans-70-41.5-176.2-71.3-69.1000111.6L174 M210 I213 I243 T245 K250 Y251L174-I247 HydrophobicContact CD1-CD1 4Å; M210-I247 VanDerWaalsContact CA-CG2 3.42Å; M210-I247 HydrophobicContact CB-CG2 3.54Å; M210-I247 HydrophobicContact CG-CG2 3.87Å; M210-I247 WeakPolarHBondContact O-CG2 3.5Å; I213-I247 HydrophobicContact CB-CG2 4.07Å; I213-I247 HydrophobicContact CD1-CG2 4.45Å; I213-I247 HydrophobicContact CG2-CB 4.2Å; I213-I247 HydrophobicContact CG2-CG1 4.1Å; I213-I247 HydrophobicContact CG2-CG2 4.07Å; I243-I247 HydrophobicContact CG2-CG1 4.42Å; I243-I247 WeakPolarHBondContact O-CB 3.43Å; I243-I247 WeakPolarHBondContact O-CG1 3.11Å; I243-I247 PolarHBondContact O-N 2.89Å; T245-I247 PolarHBondContact O-N 3.43Å; I247-K250 WeakPolarHBondContact O-CB 3.19Å; I247-K250 PolarHBondContact O-N 2.99Å; I247-Y251 PolarHBondContact O-N 3.31Å
248L97.4Very high93.3Very high0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-69.5-35.3178.8-72.4175.9000112.6M211 G244 K250 Y251 V252 A269 I272 L273 L276M211-L248 HydrophobicContact CE-CD2 4.44Å; M211-L248 HydrophobicContact SD-CD2 4.17Å; G244-L248 VanDerWaalsContact O-CB 3.27Å; G244-L248 WeakPolarHBondContact O-CB 3.43Å; G244-L248 VanDerWaalsContact O-CG 3.28Å; G244-L248 WeakPolarHBondContact O-CG 3.5Å; G244-L248 PolarHBondContact O-N 3.01Å; L248-K250 VanDerWaalsContact C-N 3.3Å; L248-K250 PolarHBondContact O-N 3.03Å; L248-Y251 PolarHBondContact O-N 2.65Å; L248-V252 WeakPolarHBondContact O-CG2 3.11Å; L248-V252 PolarHBondContact O-N 2.86Å; L248-A269 HydrophobicContact CD2-CB 3.95Å; L248-I272 HydrophobicContact CD1-CB 3.83Å; L248-I272 HydrophobicContact CD1-CG2 3.35Å; L248-L273 HydrophobicContact CB-CD1 3.96Å; L248-L273 HydrophobicContact CB-CD2 3.78Å; L248-L273 HydrophobicContact CB-CG 3.71Å; L248-L273 HydrophobicContact CD1-CG 4.23Å; L248-L276 HydrophobicContact CD1-CD1 4.38Å
249H95.7Very high93.3Very high80 Ų8050.3 Ų50.337%0.3726%0.258SS..Hα-helixtrans-58.5-45.6170.6-85.9-57.2000111.3T245 Y251 V252 L253 Q277T245-H249 WeakPolarHBondContact O-CB 3.25Å; T245-H249 PolarHBondContact O-CD2 3.27Å; T245-H249 PolarHBondContact O-N 3.41Å; H249-Y251 PolarHBondContact O-N 2.82Å; H249-V252 PolarHBondContact O-N 3.12Å; H249-L253 WeakPolarHBondContact O-CB 3.43Å; H249-L253 VanDerWaalsContact O-CG 3.24Å; H249-L253 WeakPolarHBondContact O-CG 3.48Å; H249-L253 PolarHBondContact O-N 3.03Å; H249-Q277 PolarHBondContact CE1-NE2 3.04Å; H249-Q277 VanDerWaalsContact CE1-NE2 3.27Å; H249-Q277 PolarHBondContact NE2-NE2 2.94Å
250K93.8Very high93Very high56 Ų5650.9 Ų50.924%0.24326%0.261CS..Hα-helixtrans-61.2-43.7177-173.6171.1-179.4132.30112.3E199 M210 Q246 I247 L248 L253 A254E199-K250 WeakPolarHBondContact O-CE 3.38Å; E199-K250 PolarHBondContact O-NZ 3.23Å; E199-K250 WeakPolarHBondContact OE2-CE 3.43Å; E199-K250 IonicContact OE2-NZ 2.74Å; E199-K250 PolarHBondContact OE2-NZ 3.46Å; M210-K250 HydrophobicContact CE-CD 3.82Å; M210-K250 HydrophobicContact CE-CG 4.11Å; M210-K250 HydrophobicContact SD-CB 4.4Å; M210-K250 HydrophobicContact SD-CD 4.27Å; M210-K250 HydrophobicContact SD-CG 4.03Å; Q246-K250 PolarHBondContact O-N 3.29Å; I247-K250 WeakPolarHBondContact O-CB 3.19Å; I247-K250 PolarHBondContact O-N 2.99Å; L248-K250 VanDerWaalsContact C-N 3.3Å; L248-K250 PolarHBondContact O-N 3.03Å; K250-L253 PolarHBondContact O-N 3.18Å; K250-A254 WeakPolarHBondContact O-CB 3.37Å; K250-A254 PolarHBondContact O-N 3.13Å
251Y95.5Very high92.5Very high9 Ų954.4 Ų54.44%0.03530%0.299CS..Hα-helixtrans-58.6-52174.4172.8-97.2000111.9L207 M210 M211 I247 L248 H249 L253 A254 C255 W264 N265 T266 A269L207-Y251 HydrophobicContact CB-CD2 4.37Å; L207-Y251 HydrophobicContact CB-CE2 4.29Å; L207-Y251 HydrophobicContact CD2-CD2 4.46Å; L207-Y251 WeakPolarHBondContact O-CD2 3.45Å; M210-Y251 HydrophobicContact CB-CD2 4.31Å; M211-Y251 HydrophobicContact CB-CE2 4.37Å; M211-Y251 HydrophobicContact SD-CD1 4.48Å; M211-Y251 HydrophobicContact SD-CE1 4.12Å; I247-Y251 PolarHBondContact O-N 3.31Å; L248-Y251 PolarHBondContact O-N 2.65Å; H249-Y251 PolarHBondContact O-N 2.82Å; Y251-L253 PolarHBondContact O-N 3.37Å; Y251-A254 PolarHBondContact O-N 2.89Å; Y251-C255 WeakPolarHBondContact CE2-SG 3.1Å; Y251-C255 VanDerWaalsContact CZ-SG 3.57Å; Y251-C255 WeakPolarHBondContact O-CB 3.09Å; Y251-C255 PolarHBondContact O-N 3.45Å; Y251-C255 PolarHBondContact O-SG 3.26Å; Y251-C255 VanDerWaalsContact O-SG 3.35Å; Y251-W264 HydrophobicContact CE2-CE3 4.05Å; Y251-W264 HydrophobicContact CE2-CZ3 4.42Å; Y251-N265 WeakPolarHBondContact CE1-O 3.18Å; Y251-N265 PolarHBondContact OH-O 2.94Å; Y251-T266 HydrophobicContact CE1-CG2 4.11Å; Y251-A269 HydrophobicContact CD1-CB 3.71Å; Y251-A269 HydrophobicContact CE1-CB 3.83Å
252V95.2Very high92.1Very high16 Ų1656.7 Ų56.710%0.09731%0.313CS..Hα-helixtrans-61.1-44.5-179.6173.10000111.1L248 H249 A254 C255 E256 T266 A269 K270 L273L248-V252 WeakPolarHBondContact O-CG2 3.11Å; L248-V252 PolarHBondContact O-N 2.86Å; H249-V252 PolarHBondContact O-N 3.12Å; V252-A254 VanDerWaalsContact C-N 3.32Å; V252-A254 PolarHBondContact O-N 3.14Å; V252-C255 PolarHBondContact O-N 2.93Å; V252-E256 HydrophobicContact CG1-CG 4.11Å; V252-E256 WeakPolarHBondContact O-CB 3.38Å; V252-E256 WeakPolarHBondContact O-CG 3.49Å; V252-E256 PolarHBondContact O-N 3.24Å; V252-T266 HydrophobicContact CG2-CG2 4.5Å; V252-A269 HydrophobicContact CG2-CB 3.82Å; V252-K270 HydrophobicContact CG2-CG 4.22Å; V252-L273 HydrophobicContact CG2-CD1 4.12Å
253L92.6Very high91.8Very high127 Ų12755.5 Ų55.567%0.66533%0.325SS*.Hα-helixtrans-60.1-41.3177.1-72.9170.5000112.3H249 K250 Y251 G257H249-L253 WeakPolarHBondContact O-CB 3.43Å; H249-L253 VanDerWaalsContact O-CG 3.24Å; H249-L253 WeakPolarHBondContact O-CG 3.48Å; H249-L253 PolarHBondContact O-N 3.03Å; K250-L253 PolarHBondContact O-N 3.18Å; Y251-L253 PolarHBondContact O-N 3.37Å; L253-G257 WeakPolarHBondContact O-CA 3.43Å; L253-G257 PolarHBondContact O-N 3.2Å; L253-G257 VanDerWaalsContact O-N 3.09Å
254A91.1Very high91.6Very high8 Ų857.8 Ų57.87%0.06633%0.332CS..Hα-helixtrans-67-46.5176.800000112F196 I201 L207 K250 Y251 V252 L259F196-A254 HydrophobicContact CE1-CB 4.21Å; I201-A254 HydrophobicContact CD1-CB 3.68Å; L207-A254 HydrophobicContact CD2-CB 3.93Å; K250-A254 WeakPolarHBondContact O-CB 3.37Å; K250-A254 PolarHBondContact O-N 3.13Å; Y251-A254 PolarHBondContact O-N 2.89Å; V252-A254 VanDerWaalsContact C-N 3.32Å; V252-A254 PolarHBondContact O-N 3.14Å; A254-L259 WeakPolarHBondContact O-CB 3.46Å; A254-L259 PolarHBondContact O-N 3.22Å
255C91.7Very high91.4Very high6 Ų661.8 Ų61.84%0.04135%0.354CS..Hα-helixtrans-71.8-38.5-175.5-69.50000113.8Y251 V252 L259 Q260 W264 T266Y251-C255 WeakPolarHBondContact CE2-SG 3.1Å; Y251-C255 VanDerWaalsContact CZ-SG 3.57Å; Y251-C255 WeakPolarHBondContact O-CB 3.09Å; Y251-C255 PolarHBondContact O-N 3.45Å; Y251-C255 PolarHBondContact O-SG 3.26Å; Y251-C255 VanDerWaalsContact O-SG 3.35Å; V252-C255 PolarHBondContact O-N 2.93Å; C255-L259 CarbonylContact O-C 3.35Å; C255-L259 VanDerWaalsContact O-C 3.31Å; C255-Q260 WeakPolarHBondContact O-CA 3.14Å; C255-Q260 PolarHBondContact O-N 3Å; C255-W264 HydrophobicContact CB-CB 4.01Å; C255-T266 HydrophobicContact CB-CG2 3.43Å; C255-T266 VanDerWaalsContact CB-CG2 3.43Å
256E91.6Very high91.3Very high75 Ų7561.4 Ų61.435%0.3535%0.351SS..Hα-helixtrans-91.7-16-179.1-55.1-162.1150.400113.7V252 T266 K270V252-E256 HydrophobicContact CG1-CG 4.11Å; V252-E256 WeakPolarHBondContact O-CB 3.38Å; V252-E256 WeakPolarHBondContact O-CG 3.49Å; V252-E256 PolarHBondContact O-N 3.24Å; E256-T266 HydrophobicContact CG-CG2 3.74Å; E256-T266 WeakPolarHBondContact OE1-CB 3.5Å; E256-T266 PolarHBondContact OE1-OG1 3.49Å; E256-K270 WeakPolarHBondContact OE1-CE 3.43Å; E256-K270 IonicContact OE1-NZ 2.67Å; E256-K270 PolarHBondContact OE1-NZ 2.99Å; E256-K270 VanDerWaalsContact OE2-CE 3.29Å; E256-K270 WeakPolarHBondContact OE2-CE 3.25Å; E256-K270 IonicContact OE2-NZ 3.75Å; E256-K270 PolarHBondContact OE2-NZ 3.23Å
257G86.7Confident91.3Very high37 Ų3760.8 Ų60.838%0.38135%0.349SS..THydrogen-bonded Turntrans-92.9-109171.500000110.3L253 L259 Q260L253-G257 WeakPolarHBondContact O-CA 3.43Å; L253-G257 PolarHBondContact O-N 3.2Å; L253-G257 VanDerWaalsContact O-N 3.09Å; G257-L259 PolarHBondContact O-N 2.97Å; G257-L259 VanDerWaalsContact O-N 3.1Å; G257-Q260 VanDerWaalsContact O-CB 3.31Å; G257-Q260 WeakPolarHBondContact O-CB 2.82Å; G257-Q260 PolarHBondContact O-N 3.34Å
258P83.4Confident91.3Very high64 Ų6462.7 Ų62.742%0.41636%0.359SS..THydrogen-bonded Turntrans-66.9-13.7-168.421.3-28.8000116A192 F196A192-P258 HydrophobicContact CB-CB 3.85Å; F196-P258 HydrophobicContact CD1-CG 4.46Å; F196-P258 HydrophobicContact CE1-CB 4.12Å; F196-P258 HydrophobicContact CE1-CG 3.59Å; F196-P258 HydrophobicContact CE2-CB 3.73Å; F196-P258 HydrophobicContact CE2-CG 4.09Å; F196-P258 HydrophobicContact CZ-CB 3.33Å; F196-P258 HydrophobicContact CZ-CG 3.34Å
259L85.8Confident91.3Very high29 Ų2962.7 Ų62.715%0.15236%0.359CS..THydrogen-bonded Turntrans-103.213.9171.9-54.7175000114.1F196 L207 A254 C255 G257 G261 Q262F196-L259 HydrophobicContact CE1-CD1 4.11Å; F196-L259 HydrophobicContact CE1-CD2 4.06Å; F196-L259 HydrophobicContact CE1-CG 3.78Å; F196-L259 HydrophobicContact CE2-CD2 3.81Å; F196-L259 HydrophobicContact CE2-CG 4.36Å; F196-L259 HydrophobicContact CZ-CD1 4.17Å; F196-L259 HydrophobicContact CZ-CD2 3.31Å; F196-L259 HydrophobicContact CZ-CG 3.39Å; L207-L259 HydrophobicContact CD1-CD1 3.2Å; L207-L259 HydrophobicContact CD2-CD1 4.07Å; L207-L259 HydrophobicContact CG-CD1 4.25Å; A254-L259 WeakPolarHBondContact O-CB 3.46Å; A254-L259 PolarHBondContact O-N 3.22Å; C255-L259 CarbonylContact O-C 3.35Å; C255-L259 VanDerWaalsContact O-C 3.31Å; G257-L259 PolarHBondContact O-N 2.97Å; G257-L259 VanDerWaalsContact O-N 3.1Å; L259-G261 PolarHBondContact O-N 3.21Å; L259-Q262 HydrophobicContact CB-CB 4.36Å; L259-Q262 HydrophobicContact CB-CG 4.34Å; L259-Q262 VanDerWaalsContact O-CB 3.28Å; L259-Q262 WeakPolarHBondContact O-CB 3.5Å; L259-Q262 WeakPolarHBondContact O-CG 3.42Å; L259-Q262 PolarHBondContact O-N 2.76Å
260Q86.1Confident91.4Very high151 Ų15163.3 Ų63.371%0.70636%0.361SS*.THydrogen-bonded Turntrans-55.9128.3-177.9-168.217920.100110.9C255 G257C255-Q260 WeakPolarHBondContact O-CA 3.14Å; C255-Q260 PolarHBondContact O-N 3Å; G257-Q260 VanDerWaalsContact O-CB 3.31Å; G257-Q260 WeakPolarHBondContact O-CB 2.82Å; G257-Q260 PolarHBondContact O-N 3.34Å
261G84.3Confident91.5Very high78 Ų7866.5 Ų66.580%0.80438%0.376SS*.THydrogen-bonded Turntrans83.91-178.900000115.5L259 G263L259-G261 PolarHBondContact O-N 3.21Å; G261-G263 PolarHBondContact O-N 3.06Å
262Q86.4Confident91.6Very high139 Ų13966.2 Ų66.265%0.6538%0.376SS*.SBendtrans-86.821177.6-57.2-60.6-31.600113.8L259 W264L259-Q262 HydrophobicContact CB-CB 4.36Å; L259-Q262 HydrophobicContact CB-CG 4.34Å; L259-Q262 VanDerWaalsContact O-CB 3.28Å; L259-Q262 WeakPolarHBondContact O-CB 3.5Å; L259-Q262 WeakPolarHBondContact O-CG 3.42Å; L259-Q262 PolarHBondContact O-N 2.76Å; Q262-W264 PolarHBondContact O-N 3.42Å
263G87.7Confident91.6Very high78 Ų7866 Ų6680%0.80437%0.374SS*.SBendtrans82.42.7174.500000116.3G261G261-G263 PolarHBondContact O-N 3.06Å
264W92.4Very high91.8Very high71 Ų7163.8 Ų63.827%0.26937%0.369SS..  trans-76.9132.8174.6-68.297.9000112.1D204 L207 Y251 C255 Q262D204-W264 HydrophobicContact CB-CH2 4.2Å; D204-W264 HydrophobicContact CB-CZ2 3.78Å; L207-W264 HydrophobicContact CB-CE3 4.41Å; L207-W264 HydrophobicContact CB-CH2 3.72Å; L207-W264 HydrophobicContact CB-CZ2 3.94Å; L207-W264 HydrophobicContact CB-CZ3 3.98Å; L207-W264 HydrophobicContact CD1-CD2 4.22Å; L207-W264 HydrophobicContact CD1-CH2 4.23Å; L207-W264 HydrophobicContact CD1-CZ2 3.57Å; L207-W264 HydrophobicContact CG-CZ2 4.42Å; Y251-W264 HydrophobicContact CE2-CE3 4.05Å; Y251-W264 HydrophobicContact CE2-CZ3 4.42Å; C255-W264 HydrophobicContact CB-CB 4.01Å; Q262-W264 PolarHBondContact O-N 3.42Å
265N92.4Very high91.8Very high85 Ų8567.7 Ų67.746%0.45539%0.388SS..  trans-99132.2176.1-178.2-45.9000110.4Y251 E267Y251-N265 WeakPolarHBondContact CE1-O 3.18Å; Y251-N265 PolarHBondContact OH-O 2.94Å; N265-E267 PolarHBondContact ND2-OE2 3.29Å; N265-E267 VanDerWaalsContact OD1-CB 3.29Å; N265-E267 WeakPolarHBondContact OD1-CB 3.48Å; N265-E267 PolarHBondContact OD1-N 3.09Å
266T96Very high91.7Very high17 Ų1767.5 Ų67.510%0.10439%0.387CS..  trans-113.1-1.6179.955.80000114.2Y251 V252 C255 E256 A269 K270Y251-T266 HydrophobicContact CE1-CG2 4.11Å; V252-T266 HydrophobicContact CG2-CG2 4.5Å; C255-T266 HydrophobicContact CB-CG2 3.43Å; C255-T266 VanDerWaalsContact CB-CG2 3.43Å; E256-T266 HydrophobicContact CG-CG2 3.74Å; E256-T266 WeakPolarHBondContact OE1-CB 3.5Å; E256-T266 PolarHBondContact OE1-OG1 3.49Å; T266-A269 PolarHBondContact O-N 2.96Å; T266-K270 WeakPolarHBondContact O-CB 3.48Å; T266-K270 VanDerWaalsContact O-CG 3.31Å; T266-K270 WeakPolarHBondContact O-CG 3.37Å; T266-K270 PolarHBondContact O-N 3.48Å
267E96.3Very high91.4Very high129 Ų12971.4 Ų71.460%0.60341%0.405SS*.Hα-helixtrans-60.2-54.7-177.2-61.7173.514900110.8N265 A269 K270 E271N265-E267 PolarHBondContact ND2-OE2 3.29Å; N265-E267 VanDerWaalsContact OD1-CB 3.29Å; N265-E267 WeakPolarHBondContact OD1-CB 3.48Å; N265-E267 PolarHBondContact OD1-N 3.09Å; E267-A269 VanDerWaalsContact C-N 3.32Å; E267-A269 PolarHBondContact O-N 3.46Å; E267-K270 PolarHBondContact O-N 2.87Å; E267-K270 VanDerWaalsContact O-N 3.14Å; E267-E271 WeakPolarHBondContact O-CG 3.47Å; E267-E271 PolarHBondContact O-N 2.66Å
268N95.8Very high91.6Very high61 Ų6173.2 Ų73.233%0.32641%0.406SS..Hα-helixtrans-60.3-40.9178.3-174.433000112M211 E215 K270 E271 I272M211-N268 HydrophobicContact CE-CB 4.21Å; M211-N268 WeakPolarHBondContact CE-ND2 3.45Å; E215-N268 PolarHBondContact OE1-ND2 3.25Å; N268-K270 VanDerWaalsContact C-N 3.33Å; N268-K270 PolarHBondContact O-N 3.14Å; N268-E271 PolarHBondContact O-N 2.97Å; N268-I272 VanDerWaalsContact O-CG1 3.31Å; N268-I272 WeakPolarHBondContact O-CG1 3.45Å; N268-I272 PolarHBondContact O-N 3.47Å
269A96.8Very high92.1Very high1 Ų173.6 Ų73.61%0.00841%0.406CS..Hα-helixtrans-60.7-42.7176.700000111.9M211 L248 Y251 V252 T266 E267 I272 L273M211-A269 HydrophobicContact CE-CB 4.46Å; M211-A269 HydrophobicContact SD-CB 4.01Å; L248-A269 HydrophobicContact CD2-CB 3.95Å; Y251-A269 HydrophobicContact CD1-CB 3.71Å; Y251-A269 HydrophobicContact CE1-CB 3.83Å; V252-A269 HydrophobicContact CG2-CB 3.82Å; T266-A269 PolarHBondContact O-N 2.96Å; E267-A269 VanDerWaalsContact C-N 3.32Å; E267-A269 PolarHBondContact O-N 3.46Å; A269-I272 PolarHBondContact O-N 3.26Å; A269-L273 WeakPolarHBondContact O-CB 3.36Å; A269-L273 VanDerWaalsContact O-CG 3.31Å; A269-L273 WeakPolarHBondContact O-CG 3.27Å; A269-L273 PolarHBondContact O-N 3.27Å
270K97.4Very high92.4Very high92 Ų9276.1 Ų76.140%0.442%0.42SS..Hα-helixtrans-67.7-40.4176.9-74.9174.1169.1-1790112.4V252 E256 T266 E267 N268 L273 S274V252-K270 HydrophobicContact CG2-CG 4.22Å; E256-K270 WeakPolarHBondContact OE1-CE 3.43Å; E256-K270 IonicContact OE1-NZ 2.67Å; E256-K270 PolarHBondContact OE1-NZ 2.99Å; E256-K270 VanDerWaalsContact OE2-CE 3.29Å; E256-K270 WeakPolarHBondContact OE2-CE 3.25Å; E256-K270 IonicContact OE2-NZ 3.75Å; E256-K270 PolarHBondContact OE2-NZ 3.23Å; T266-K270 WeakPolarHBondContact O-CB 3.48Å; T266-K270 VanDerWaalsContact O-CG 3.31Å; T266-K270 WeakPolarHBondContact O-CG 3.37Å; T266-K270 PolarHBondContact O-N 3.48Å; E267-K270 PolarHBondContact O-N 2.87Å; E267-K270 VanDerWaalsContact O-N 3.14Å; N268-K270 VanDerWaalsContact C-N 3.33Å; N268-K270 PolarHBondContact O-N 3.14Å; K270-L273 PolarHBondContact O-N 2.88Å; K270-S274 PolarHBondContact O-N 3.23Å
271E97Very high92.8Very high123 Ų12371.7 Ų71.758%0.57540%0.403SS*.Hα-helixtrans-59.8-47.9174.2-73.7-179.7-174.800111E267 N268 L273 S274E267-E271 WeakPolarHBondContact O-CG 3.47Å; E267-E271 PolarHBondContact O-N 2.66Å; N268-E271 PolarHBondContact O-N 2.97Å; E271-L273 PolarHBondContact O-N 3.28Å; E271-S274 PolarHBondContact O-N 3.2Å; E271-S274 PolarHBondContact O-OG 3.32Å
272I97Very high93.3Very high4 Ų471.3 Ų71.32%0.02138%0.378CS..Hα-helixtrans-61.2-45.6176.6-68.5166.2000111M211 E215 F218 L248 N268 A269 S274 I275 L276M211-I272 HydrophobicContact CE-CD1 3.83Å; E215-I272 HydrophobicContact CG-CD1 3.71Å; F218-I272 HydrophobicContact CB-CG1 4.36Å; F218-I272 HydrophobicContact CB-CG2 3.62Å; F218-I272 HydrophobicContact CD1-CG1 4.29Å; F218-I272 HydrophobicContact CD2-CG2 4.25Å; F218-I272 HydrophobicContact CG-CG1 4.16Å; F218-I272 HydrophobicContact CG-CG2 4.04Å; L248-I272 HydrophobicContact CD1-CB 3.83Å; L248-I272 HydrophobicContact CD1-CG2 3.35Å; N268-I272 VanDerWaalsContact O-CG1 3.31Å; N268-I272 WeakPolarHBondContact O-CG1 3.45Å; N268-I272 PolarHBondContact O-N 3.47Å; A269-I272 PolarHBondContact O-N 3.26Å; I272-S274 PolarHBondContact O-N 3.15Å; I272-I275 PolarHBondContact O-N 3.09Å; I272-L276 HydrophobicContact CG2-CD1 3.7Å; I272-L276 HydrophobicContact CG2-CG 4.02Å; I272-L276 PolarHBondContact O-N 3.26Å
273L96.4Very high93.8Very high10 Ų1066.8 Ų66.85%0.05236%0.36CS..Hα-helixtrans-56.4-38.7177.7-82168.1000112.2T245 L248 V252 A269 K270 E271 I275 L276 Q277T245-L273 HydrophobicContact CG2-CD2 4.08Å; L248-L273 HydrophobicContact CB-CD1 3.96Å; L248-L273 HydrophobicContact CB-CD2 3.78Å; L248-L273 HydrophobicContact CB-CG 3.71Å; L248-L273 HydrophobicContact CD1-CG 4.23Å; V252-L273 HydrophobicContact CG2-CD1 4.12Å; A269-L273 WeakPolarHBondContact O-CB 3.36Å; A269-L273 VanDerWaalsContact O-CG 3.31Å; A269-L273 WeakPolarHBondContact O-CG 3.27Å; A269-L273 PolarHBondContact O-N 3.27Å; K270-L273 PolarHBondContact O-N 2.88Å; E271-L273 PolarHBondContact O-N 3.28Å; L273-I275 PolarHBondContact O-N 3.35Å; L273-L276 PolarHBondContact O-N 3.22Å; L273-Q277 WeakPolarHBondContact O-CB 3.43Å; L273-Q277 VanDerWaalsContact O-CG 3.25Å; L273-Q277 WeakPolarHBondContact O-CG 3.44Å; L273-Q277 PolarHBondContact O-N 3.19Å
274S95Very high94.2Very high82 Ų8266 Ų6657%0.57333%0.328SS*.Hα-helixtrans-64.2-19.8177.878.40000114.2K270 E271 I272K270-S274 PolarHBondContact O-N 3.23Å; E271-S274 PolarHBondContact O-N 3.2Å; E271-S274 PolarHBondContact O-OG 3.32Å; I272-S274 PolarHBondContact O-N 3.15Å
275I92.1Very high94.4Very high89 Ų8965.6 Ų65.646%0.45633%0.333SS..Hα-helixtrans-96.2-31.2178.5-58.8167.8000111.2F218 R241 I272 L273F218-I275 HydrophobicContact CD2-CD1 4.48Å; F218-I275 HydrophobicContact CD2-CG2 4.39Å; F218-I275 HydrophobicContact CE2-CB 4.33Å; F218-I275 HydrophobicContact CE2-CD1 3.61Å; F218-I275 HydrophobicContact CE2-CG2 3.99Å; F218-I275 HydrophobicContact CZ-CD1 4.11Å; R241-I275 PolarHBondContact NH1-O 2.89Å; I272-I275 PolarHBondContact O-N 3.09Å; L273-I275 PolarHBondContact O-N 3.35Å
276L89.9Confident94.6Very high3 Ų364 Ų642%0.01632%0.322CS..Hα-helixtrans-79.6-24.7179.5-66.3-176.8000113V221 R241 T245 L248 I272 L273V221-L276 HydrophobicContact CB-CD2 4.2Å; V221-L276 HydrophobicContact CG1-CD2 4.37Å; V221-L276 HydrophobicContact CG2-CD2 3.91Å; R241-L276 WeakPolarHBondContact CD-O 3.33Å; R241-L276 HydrophobicContact CG-CB 4.43Å; R241-L276 WeakPolarHBondContact CG-O 3.48Å; R241-L276 PolarHBondContact NH1-O 3.03Å; T245-L276 WeakPolarHBondContact OG1-CB 3.46Å; L248-L276 HydrophobicContact CD1-CD1 4.38Å; I272-L276 HydrophobicContact CG2-CD1 3.7Å; I272-L276 HydrophobicContact CG2-CG 4.02Å; I272-L276 PolarHBondContact O-N 3.26Å; L273-L276 PolarHBondContact O-N 3.22Å
277Q84.9Confident94.4Very high157 Ų15768.3 Ų68.373%0.73434%0.342SS*.  trans-80.40173.7-68.3170.18.500112.1T245 H249 L273T245-Q277 HydrophobicContact CG2-CG 4.35Å; H249-Q277 PolarHBondContact CE1-NE2 3.04Å; H249-Q277 VanDerWaalsContact CE1-NE2 3.27Å; H249-Q277 PolarHBondContact NE2-NE2 2.94Å; L273-Q277 WeakPolarHBondContact O-CB 3.43Å; L273-Q277 VanDerWaalsContact O-CG 3.25Å; L273-Q277 WeakPolarHBondContact O-CG 3.44Å; L273-Q277 PolarHBondContact O-N 3.19Å

Retrieved 277 of 277 residues in 102.6 ms (Link to these results)

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