A0A3Q0KTI9_SCHMA Loading...

Putative cationic amino acid transporter

AlphaFold DB , UniProt , Accession A0A3Q0KTI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 660 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
1M53.2Low61.1Low182 Ų182137.5 Ų137.590%0.89765%0.653SS**  0-45.20-157.4179.9-173.700112.7Q4 K5M1-Q4 PolarHBondContact O-N 3.27Å; M1-K5 PolarHBondContact O-N 2.93Å; M1-K5 VanDerWaalsContact O-N 3.15Å
2F56.2Low62.5Low187 Ų187133.8 Ų133.882%0.8265%0.652SS**Hα-helixtrans-60.8-46.1177-89-83.8000114.1Q4 K5 R6F2-Q4 VanDerWaalsContact C-N 3.28Å; F2-Q4 PolarHBondContact O-N 3.39Å; F2-K5 PolarHBondContact O-N 3.38Å; F2-K5 VanDerWaalsContact O-N 3.14Å; F2-R6 PolarHBondContact O-N 3.46Å
3D63.8Low64Low124 Ų124132.4 Ų132.466%0.66364%0.643SS**Hα-helixtrans-60.5-36.1176.4-86.1-22.7000113.5R6 K7D3-R6 PolarHBondContact O-N 3.39Å; D3-K7 WeakPolarHBondContact O-CB 2.97Å; D3-K7 WeakPolarHBondContact O-CG 3.29Å; D3-K7 PolarHBondContact O-N 3.48Å
4Q53Low65.4Low140 Ų140127 Ų12765%0.65462%0.616SS**Hα-helixtrans-69-37177.4-118.4-179.2-10.200112M1 F2 K8M1-Q4 PolarHBondContact O-N 3.27Å; F2-Q4 VanDerWaalsContact C-N 3.28Å; F2-Q4 PolarHBondContact O-N 3.39Å; Q4-K8 WeakPolarHBondContact O-CB 3.26Å; Q4-K8 WeakPolarHBondContact O-CG 3.48Å; Q4-K8 PolarHBondContact O-N 3.2Å; Q4-K8 VanDerWaalsContact O-N 3.14Å
5K54.2Low66.6Low137 Ų137124.1 Ų124.160%0.59660%0.597SS**Hα-helixtrans-66.9-41.9172.5-82.1-172.8175.6-177.10111.2M1 F2 K8 C9M1-K5 PolarHBondContact O-N 2.93Å; M1-K5 VanDerWaalsContact O-N 3.15Å; F2-K5 PolarHBondContact O-N 3.38Å; F2-K5 VanDerWaalsContact O-N 3.14Å; K5-K8 PolarHBondContact O-N 3Å; K5-C9 PolarHBondContact O-N 3.38Å
6R56Low67.6Low171 Ų171118.6 Ų118.665%0.64558%0.583SS**Hα-helixtrans-64-49.1179.9-154179.8-170-1762.2111.9F2 D3 K8 C9 E10F2-R6 PolarHBondContact O-N 3.46Å; D3-R6 PolarHBondContact O-N 3.39Å; R6-K8 VanDerWaalsContact C-N 3.32Å; R6-K8 PolarHBondContact O-N 3.3Å; R6-C9 PolarHBondContact O-N 3.38Å; R6-C9 VanDerWaalsContact O-N 3.15Å; R6-E10 PolarHBondContact O-N 3.28Å
7K60.7Low68.6Low145 Ų145117.8 Ų117.863%0.6358%0.576SS**Hα-helixtrans-58.7-39.7174.1-75-173.8177.5-174.50112.9D3 E10 C11D3-K7 WeakPolarHBondContact O-CB 2.97Å; D3-K7 WeakPolarHBondContact O-CG 3.29Å; D3-K7 PolarHBondContact O-N 3.48Å; K7-E10 PolarHBondContact O-N 3.26Å; K7-C11 PolarHBondContact O-N 3.23Å; K7-C11 PolarHBondContact O-SG 3.26Å
8K58.8Low69.3Low154 Ų154111.3 Ų111.367%0.6754%0.544SS*.Hα-helixtrans-64.2-41.7175.8-83-174.5177-173.30112.2Q4 K5 R6 C12Q4-K8 WeakPolarHBondContact O-CB 3.26Å; Q4-K8 WeakPolarHBondContact O-CG 3.48Å; Q4-K8 PolarHBondContact O-N 3.2Å; Q4-K8 VanDerWaalsContact O-N 3.14Å; K5-K8 PolarHBondContact O-N 3Å; R6-K8 VanDerWaalsContact C-N 3.32Å; R6-K8 PolarHBondContact O-N 3.3Å; K8-C12 PolarHBondContact O-N 3.39Å; K8-C12 VanDerWaalsContact O-N 3.14Å; K8-C12 PolarHBondContact O-SG 3.1Å; K8-C12 VanDerWaalsContact O-SG 3.39Å
9C66.8Low70.1Confident87 Ų87107.1 Ų107.159%0.58853%0.525SS*.Hα-helixtrans-63.5-44.8175.6-84.20000111.8K5 R6 C11 C12 E13K5-C9 PolarHBondContact O-N 3.38Å; R6-C9 PolarHBondContact O-N 3.38Å; R6-C9 VanDerWaalsContact O-N 3.15Å; C9-C11 PolarHBondContact O-N 3.27Å; C9-C12 PolarHBondContact O-N 3.45Å; C9-E13 WeakPolarHBondContact O-CB 3.04Å; C9-E13 PolarHBondContact O-N 2.64Å
10E73.8Confident70.7Confident108 Ų108105.9 Ų105.951%0.50553%0.533SS..Hα-helixtrans-60.1-45.4179-73.4169.4-172.100111.7R6 K7 C12 E13 E14R6-E10 PolarHBondContact O-N 3.28Å; K7-E10 PolarHBondContact O-N 3.26Å; E10-C12 PolarHBondContact O-N 3.09Å; E10-E13 PolarHBondContact O-N 3.13Å; E10-E14 WeakPolarHBondContact O-CB 3.49Å; E10-E14 PolarHBondContact O-N 3.04Å
11C75.5Confident71Confident77 Ų77103.6 Ų103.652%0.5253%0.527SS..Hα-helixtrans-62.7-40.8176.2-72.40000113K7 C9 Y15K7-C11 PolarHBondContact O-N 3.23Å; K7-C11 PolarHBondContact O-SG 3.26Å; C9-C11 PolarHBondContact O-N 3.27Å; C11-Y15 WeakPolarHBondContact O-CB 3.4Å; C11-Y15 PolarHBondContact O-N 3.18Å
12C78.5Confident72Confident94 Ų9495 Ų9564%0.63549%0.485SS*.Hα-helixtrans-67.5-39.1178.1-740000111.9K8 C9 E10 G16K8-C12 PolarHBondContact O-N 3.39Å; K8-C12 VanDerWaalsContact O-N 3.14Å; K8-C12 PolarHBondContact O-SG 3.1Å; K8-C12 VanDerWaalsContact O-SG 3.39Å; C9-C12 PolarHBondContact O-N 3.45Å; E10-C12 PolarHBondContact O-N 3.09Å; C12-G16 PolarHBondContact O-N 3.18Å
13E82.2Confident73.2Confident115 Ų11587.9 Ų87.954%0.53746%0.455SS..Hα-helixtrans-69.2-41.1177.6-162.6-171.514700111.3C9 E10 G16 K17C9-E13 WeakPolarHBondContact O-CB 3.04Å; C9-E13 PolarHBondContact O-N 2.64Å; E10-E13 PolarHBondContact O-N 3.13Å; E13-G16 PolarHBondContact O-N 3.37Å; E13-K17 WeakPolarHBondContact O-CG 3.32Å; E13-K17 PolarHBondContact O-N 3.1Å; E13-K17 WeakPolarHBondContact OE1-CE 3.47Å; E13-K17 IonicContact OE1-NZ 2.67Å; E13-K17 PolarHBondContact OE1-NZ 2.96Å
14E82.5Confident74.1Confident57 Ų5788.7 Ų88.727%0.26645%0.453SS..Hα-helixtrans-62.1-45.2173.8-171.7178.4-159.300111.3E10 G16 K17 A18 M622 Y625E10-E14 WeakPolarHBondContact O-CB 3.49Å; E10-E14 PolarHBondContact O-N 3.04Å; E14-G16 VanDerWaalsContact C-N 3.34Å; E14-G16 PolarHBondContact O-N 3.45Å; E14-K17 PolarHBondContact O-N 3.26Å; E14-A18 WeakPolarHBondContact O-CB 3.22Å; E14-A18 PolarHBondContact O-N 2.68Å; E14-M622 HydrophobicContact CG-CE 4.35Å; E14-M622 HydrophobicContact CG-SD 4.5Å; E14-Y625 HydrophobicContact CG-CE1 3.94Å
15Y83.5Confident75.5Confident83 Ų8384.2 Ų84.233%0.32543%0.43SS..Hα-helixtrans-62.9-40.9174.9-178-97.5000111.7C11 K17 A18 V19 F617 M622C11-Y15 WeakPolarHBondContact O-CB 3.4Å; C11-Y15 PolarHBondContact O-N 3.18Å; Y15-K17 VanDerWaalsContact C-N 3.32Å; Y15-K17 PolarHBondContact O-N 2.8Å; Y15-A18 WeakPolarHBondContact O-CB 3.43Å; Y15-A18 PolarHBondContact O-N 2.83Å; Y15-V19 HydrophobicContact CD1-CG2 3.99Å; Y15-V19 HydrophobicContact CE1-CG2 3.49Å; Y15-V19 VanDerWaalsContact CE1-CG2 3.49Å; Y15-V19 HydrophobicContact CE2-CG2 4.16Å; Y15-V19 WeakPolarHBondContact O-CG2 3.06Å; Y15-V19 PolarHBondContact O-N 2.83Å; Y15-F617 WeakPolarHBondContact CE2-O 3.17Å; Y15-F617 PolarHBondContact OH-O 3.07Å; Y15-M622 HydrophobicContact CD2-CE 4.03Å; Y15-M622 HydrophobicContact CG-CE 4.41Å
16G83.8Confident76.8Confident37 Ų3779.4 Ų79.438%0.38141%0.409SS..Hα-helixtrans-58.5-42.7174.200000112.4C12 E13 E14 A20C12-G16 PolarHBondContact O-N 3.18Å; E13-G16 PolarHBondContact O-N 3.37Å; E14-G16 VanDerWaalsContact C-N 3.34Å; E14-G16 PolarHBondContact O-N 3.45Å; G16-A20 VanDerWaalsContact O-CB 3.27Å; G16-A20 WeakPolarHBondContact O-CB 3.22Å; G16-A20 PolarHBondContact O-N 3.1Å
17K83.8Confident77.5Confident105 Ų10573.9 Ų73.946%0.45739%0.39SS..Hα-helixtrans-65.7-41.6173.6-72.1172.3-173.9165.10111.8E13 E14 Y15 A20 S21E13-K17 WeakPolarHBondContact O-CG 3.32Å; E13-K17 PolarHBondContact O-N 3.1Å; E13-K17 WeakPolarHBondContact OE1-CE 3.47Å; E13-K17 IonicContact OE1-NZ 2.67Å; E13-K17 PolarHBondContact OE1-NZ 2.96Å; E14-K17 PolarHBondContact O-N 3.26Å; Y15-K17 VanDerWaalsContact C-N 3.32Å; Y15-K17 PolarHBondContact O-N 2.8Å; K17-A20 PolarHBondContact O-N 2.68Å; K17-S21 WeakPolarHBondContact O-CB 3.4Å; K17-S21 PolarHBondContact O-N 3.14Å; K17-S21 PolarHBondContact O-OG 3Å
18A81.8Confident77.8Confident0 Ų075.8 Ų75.80%040%0.401CS..Hα-helixtrans-60.7-45176.700000111.7E14 Y15 G22 V621 M622 Y625E14-A18 WeakPolarHBondContact O-CB 3.22Å; E14-A18 PolarHBondContact O-N 2.68Å; Y15-A18 WeakPolarHBondContact O-CB 3.43Å; Y15-A18 PolarHBondContact O-N 2.83Å; A18-G22 VanDerWaalsContact O-CA 3.23Å; A18-G22 WeakPolarHBondContact O-CA 3.41Å; A18-G22 PolarHBondContact O-N 3.22Å; A18-V621 HydrophobicContact CB-CG1 3.91Å; A18-M622 HydrophobicContact CB-SD 4.16Å; A18-Y625 HydrophobicContact CB-CD1 3.83Å; A18-Y625 HydrophobicContact CB-CD2 4.05Å; A18-Y625 HydrophobicContact CB-CG 3.53Å
19V83.8Confident77.7Confident32 Ų3269.6 Ų69.619%0.19438%0.375CS..Hα-helixtrans-65.2-49.5175.71750000110.7Y15 S21 G22 L23 V621Y15-V19 HydrophobicContact CD1-CG2 3.99Å; Y15-V19 HydrophobicContact CE1-CG2 3.49Å; Y15-V19 VanDerWaalsContact CE1-CG2 3.49Å; Y15-V19 HydrophobicContact CE2-CG2 4.16Å; Y15-V19 WeakPolarHBondContact O-CG2 3.06Å; Y15-V19 PolarHBondContact O-N 2.83Å; V19-S21 PolarHBondContact O-N 3.32Å; V19-G22 PolarHBondContact O-N 2.91Å; V19-L23 HydrophobicContact CG1-CD1 3.65Å; V19-L23 HydrophobicContact CG1-CG 4.27Å; V19-L23 VanDerWaalsContact O-CD1 3.24Å; V19-L23 WeakPolarHBondContact O-CD1 3.5Å; V19-L23 VanDerWaalsContact O-CG 3.28Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.4Å; V19-V621 HydrophobicContact CB-CG1 4.4Å; V19-V621 HydrophobicContact CG2-CG1 3.81Å
20A81.8Confident77Confident82 Ų8267 Ų6768%0.67836%0.363SS*.Hα-helixtrans-63.1-39.2-175.700000113.2G16 K17G16-A20 VanDerWaalsContact O-CB 3.27Å; G16-A20 WeakPolarHBondContact O-CB 3.22Å; G16-A20 PolarHBondContact O-N 3.1Å; K17-A20 PolarHBondContact O-N 2.68Å
21S77.1Confident75.8Confident59 Ų5972.9 Ų72.941%0.41338%0.38SS..Hα-helixtrans-86.2-34.2178.260.90000113.2K17 V19 Y625K17-S21 WeakPolarHBondContact O-CB 3.4Å; K17-S21 PolarHBondContact O-N 3.14Å; K17-S21 PolarHBondContact O-OG 3Å; V19-S21 PolarHBondContact O-N 3.32Å; S21-Y625 WeakPolarHBondContact OG-CD2 3.22Å
22G75.5Confident74.5Confident0 Ų073.8 Ų73.80%038%0.38CS..Hα-helixtrans-76.3-39.8-170.900000114.2A18 V19 F24 R25 E120A18-G22 VanDerWaalsContact O-CA 3.23Å; A18-G22 WeakPolarHBondContact O-CA 3.41Å; A18-G22 PolarHBondContact O-N 3.22Å; V19-G22 PolarHBondContact O-N 2.91Å; G22-F24 PolarHBondContact O-N 2.7Å; G22-R25 WeakPolarHBondContact O-CB 3.16Å; G22-R25 PolarHBondContact O-N 3.35Å; G22-E120 WeakPolarHBondContact O-CB 3.37Å
23L81.2Confident73.1Confident39 Ų3971.1 Ų71.120%0.20436%0.359CS..THydrogen-bonded Turntrans-49.2-39.5-172.3-81.3157.7000114.4V19 F121 Y616 F617V19-L23 HydrophobicContact CG1-CD1 3.65Å; V19-L23 HydrophobicContact CG1-CG 4.27Å; V19-L23 VanDerWaalsContact O-CD1 3.24Å; V19-L23 WeakPolarHBondContact O-CD1 3.5Å; V19-L23 VanDerWaalsContact O-CG 3.28Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.4Å; L23-F121 HydrophobicContact CD2-CB 3.82Å; L23-F121 HydrophobicContact CD2-CD1 4.39Å; L23-F121 HydrophobicContact CD2-CD2 4.06Å; L23-F121 HydrophobicContact CD2-CG 3.84Å; L23-F121 VanDerWaalsContact O-CB 3.23Å; L23-F121 WeakPolarHBondContact O-CB 3.45Å; L23-F121 PolarHBondContact O-N 3.41Å; L23-Y616 HydrophobicContact CD2-CE1 4.49Å; L23-F617 HydrophobicContact CD2-CE1 4.31Å; L23-F617 HydrophobicContact CD2-CZ 4.34Å
24F82.5Confident71.5Confident141 Ų14173.3 Ų73.362%0.61837%0.367SS*.THydrogen-bonded Turntrans-119.214.3-178.1-62.9-73000113.4G22 K26G22-F24 PolarHBondContact O-N 2.7Å; F24-K26 PolarHBondContact O-N 3.44Å
25R82.3Confident70.1Confident46 Ų4676.1 Ų76.117%0.17438%0.38CS..PPolyproline II helixtrans-58.9131.4173.2178.5169.951.2-150.2-11.8108.8G22 Y115 G119 E120 T624 S628G22-R25 WeakPolarHBondContact O-CB 3.16Å; G22-R25 PolarHBondContact O-N 3.35Å; R25-Y115 VanDerWaalsContact O-CE2 3.31Å; R25-Y115 WeakPolarHBondContact O-CE2 3.48Å; R25-G119 CarbonylContact O-C 3.54Å; R25-G119 WeakPolarHBondContact O-CA 3.49Å; R25-E120 IonicContact CZ-OE2 3.87Å; R25-E120 IonicContact NE-OE2 2.78Å; R25-E120 PolarHBondContact NE-OE2 3.12Å; R25-E120 IonicContact NH2-OE1 3.5Å; R25-E120 IonicContact NH2-OE2 2.75Å; R25-E120 PolarHBondContact NH2-OE2 3.07Å; R25-E120 PolarHBondContact O-N 3.37Å; R25-T624 PolarHBondContact NH1-O 2.75Å; R25-T624 PolarHBondContact NH2-O 3.27Å; R25-T624 PolarHBondContact NH2-OG1 3.39Å; R25-S628 PolarHBondContact NH1-OG 3.35Å
26K80.8Confident68.6Low36 Ų3673.1 Ų73.116%0.15737%0.369CS..PPolyproline II helixtrans-97.5150.8177-65.3179-164.71480110.2F24 D448F24-K26 PolarHBondContact O-N 3.44Å; K26-D448 IonicContact NZ-OD1 3.86Å; K26-D448 PolarHBondContact NZ-OD1 3.28Å; K26-D448 IonicContact NZ-OD2 3.93Å
27K71.8Confident67.2Low55 Ų5573.1 Ų73.124%0.23936%0.36CS..PPolyproline II helixtrans-76.5122.7172-170.9166-173.5164.50109.3I29 Y115 F116 D379K27-I29 PolarHBondContact O-N 3.41Å; K27-Y115 HydrophobicContact CB-CD1 4.3Å; K27-Y115 HydrophobicContact CB-CD2 3.94Å; K27-Y115 HydrophobicContact CB-CE2 4.21Å; K27-Y115 HydrophobicContact CB-CG 3.97Å; K27-Y115 HydrophobicContact CD-CD1 4.21Å; K27-F116 WeakPolarHBondContact O-CD2 3.38Å; K27-D379 IonicContact NZ-OD1 3.39Å; K27-D379 PolarHBondContact NZ-OD1 3.3Å; K27-D379 IonicContact NZ-OD2 3.24Å; K27-D379 PolarHBondContact NZ-OD2 2.6Å
28E65.4Low65.6Low185 Ų18576.6 Ų76.686%0.86438%0.375SS*.PPolyproline II helixtrans-69.4125.1170.6-65.7-167.1159.700109.7
29I58.5Low64.5Low23 Ų2378.1 Ų78.112%0.11839%0.385CS..  trans-111.7130.1170.9-62.7-178.5000106K27 R31 I36 I104 F116K27-I29 PolarHBondContact O-N 3.41Å; I29-R31 PolarHBondContact O-N 2.73Å; I29-I36 HydrophobicContact CG2-CD1 3.68Å; I29-I36 HydrophobicContact CG2-CG1 3.62Å; I29-I36 HydrophobicContact CG2-CG2 4.3Å; I29-I104 HydrophobicContact CD1-CG2 3.72Å; I29-F116 HydrophobicContact CB-CD2 4.03Å; I29-F116 HydrophobicContact CB-CE2 3.86Å; I29-F116 HydrophobicContact CD1-CB 3.97Å; I29-F116 HydrophobicContact CD1-CD2 3.34Å; I29-F116 HydrophobicContact CD1-CE2 3.94Å; I29-F116 HydrophobicContact CD1-CG 3.73Å; I29-F116 HydrophobicContact CG1-CD2 3.58Å; I29-F116 HydrophobicContact CG1-CE2 3.97Å; I29-F116 HydrophobicContact CG1-CG 4.44Å
30G51.6Low63.1Low32 Ų3280.9 Ų80.933%0.3342%0.419SS..  trans-45134177.600000111D32 I36G30-D32 PolarHBondContact O-N 2.66Å; G30-I36 VanDerWaalsContact O-CD1 3.31Å; G30-I36 WeakPolarHBondContact O-CD1 3.07Å; G30-I36 WeakPolarHBondContact O-CG1 2.96Å
31R47.9Very low62Low232 Ų23279.8 Ų79.888%0.87540%0.401SS*.SBendtrans-66.4-26.1-169.1-71.1-179.2-175.4171.83.1112.5I29I29-R31 PolarHBondContact O-N 2.73Å
32D48.2Very low61.4Low97 Ų9783.8 Ų83.852%0.51942%0.418SS..SBendtrans-98130.6-172.6-152.6-8.4000111.5G30 K34 E35 I36G30-D32 PolarHBondContact O-N 2.66Å; D32-K34 PolarHBondContact O-N 3.26Å; D32-K34 VanDerWaalsContact O-N 3.13Å; D32-E35 HydrophobicContact CB-CG 4.36Å; D32-E35 WeakPolarHBondContact O-CA 3.02Å; D32-E35 WeakPolarHBondContact O-CB 3.14Å; D32-E35 PolarHBondContact O-N 2.68Å; D32-I36 WeakPolarHBondContact O-CG1 3.14Å; D32-I36 PolarHBondContact O-N 3.21Å
33M49.4Very low61.4Low38 Ų3887.7 Ų87.719%0.18743%0.433CS..Hα-helixtrans-60.3-30.8-178.1-170.1173.1-16300110.8E35 I36 L37 P105 Y570M33-E35 VanDerWaalsContact C-N 3.27Å; M33-E35 PolarHBondContact O-N 3.22Å; M33-I36 PolarHBondContact O-N 3.46Å; M33-L37 HydrophobicContact CE-CD1 4.02Å; M33-L37 HydrophobicContact CE-CD2 3.86Å; M33-L37 HydrophobicContact CE-CG 4.18Å; M33-L37 HydrophobicContact CG-CD1 3.58Å; M33-L37 HydrophobicContact CG-CD2 4.33Å; M33-L37 HydrophobicContact CG-CG 3.66Å; M33-L37 WeakPolarHBondContact O-CB 3.3Å; M33-L37 WeakPolarHBondContact O-CG 3.49Å; M33-L37 PolarHBondContact O-N 2.77Å; M33-L37 HydrophobicContact SD-CD1 4.11Å; M33-P105 HydrophobicContact CE-CG 4.15Å; M33-Y570 HydrophobicContact CB-CE1 4.39Å; M33-Y570 HydrophobicContact CE-CE2 3.64Å; M33-Y570 WeakPolarHBondContact CE-OH 3.11Å; M33-Y570 HydrophobicContact CG-CE1 4.43Å; M33-Y570 HydrophobicContact SD-CD1 4.41Å; M33-Y570 HydrophobicContact SD-CD2 3.86Å; M33-Y570 HydrophobicContact SD-CE1 3.86Å; M33-Y570 HydrophobicContact SD-CE2 3.14Å; M33-Y570 WeakPolarHBondContact SD-CE2 3.29Å; M33-Y570 HydrophobicContact SD-CG 4.43Å; M33-Y570 PolarHBondContact SD-OH 3.03Å; M33-Y570 VanDerWaalsContact SD-OH 3.42Å
34K48.4Very low61.4Low161 Ų16189.1 Ų89.170%0.745%0.445SS*.Hα-helixtrans-59.5-36.5172.2-83.2-177.6179175.40112.8D32 K38D32-K34 PolarHBondContact O-N 3.26Å; D32-K34 VanDerWaalsContact O-N 3.13Å; K34-K38 WeakPolarHBondContact O-CB 3.16Å; K34-K38 VanDerWaalsContact O-CG 3.26Å; K34-K38 WeakPolarHBondContact O-CG 3.13Å; K34-K38 PolarHBondContact O-N 3.36Å
35E53Low61.3Low115 Ų11583.4 Ų83.454%0.53742%0.421SS..Hα-helixtrans-74.3-43.3173.9-68.7-175.3150.400111.8D32 M33 L37 K38D32-E35 HydrophobicContact CB-CG 4.36Å; D32-E35 WeakPolarHBondContact O-CA 3.02Å; D32-E35 WeakPolarHBondContact O-CB 3.14Å; D32-E35 PolarHBondContact O-N 2.68Å; M33-E35 VanDerWaalsContact C-N 3.27Å; M33-E35 PolarHBondContact O-N 3.22Å; E35-L37 PolarHBondContact O-N 2.99Å; E35-K38 PolarHBondContact O-N 3.26Å; E35-K38 VanDerWaalsContact O-N 3.15Å
36I52.7Low61.5Low20 Ų2083.5 Ų83.510%0.10343%0.427CS..Hα-helixtrans-59.1-38176-56.2177.6000110.7I29 G30 D32 M33 P105 K106I29-I36 HydrophobicContact CG2-CD1 3.68Å; I29-I36 HydrophobicContact CG2-CG1 3.62Å; I29-I36 HydrophobicContact CG2-CG2 4.3Å; G30-I36 VanDerWaalsContact O-CD1 3.31Å; G30-I36 WeakPolarHBondContact O-CD1 3.07Å; G30-I36 WeakPolarHBondContact O-CG1 2.96Å; D32-I36 WeakPolarHBondContact O-CG1 3.14Å; D32-I36 PolarHBondContact O-N 3.21Å; M33-I36 PolarHBondContact O-N 3.46Å; I36-P105 HydrophobicContact CG2-CG 4.02Å; I36-K106 HydrophobicContact CG2-CG 4.31Å
37L53.5Low61.9Low38 Ų3883.7 Ų83.720%0.19943%0.431CS..Hα-helixtrans-82.7-16.3-179.1-70.6-178.5000113.6M33 E35 T39 R43 P105 P285M33-L37 HydrophobicContact CE-CD1 4.02Å; M33-L37 HydrophobicContact CE-CD2 3.86Å; M33-L37 HydrophobicContact CE-CG 4.18Å; M33-L37 HydrophobicContact CG-CD1 3.58Å; M33-L37 HydrophobicContact CG-CD2 4.33Å; M33-L37 HydrophobicContact CG-CG 3.66Å; M33-L37 WeakPolarHBondContact O-CB 3.3Å; M33-L37 WeakPolarHBondContact O-CG 3.49Å; M33-L37 PolarHBondContact O-N 2.77Å; M33-L37 HydrophobicContact SD-CD1 4.11Å; E35-L37 PolarHBondContact O-N 2.99Å; L37-T39 PolarHBondContact O-N 2.85Å; L37-R43 PolarHBondContact O-NH2 2.95Å; L37-P105 HydrophobicContact CD2-CB 4.29Å; L37-P105 HydrophobicContact CD2-CG 3.7Å; L37-P285 HydrophobicContact CD2-CG 4.44Å
38K50.9Low62.6Low177 Ų17785.6 Ų85.677%0.7745%0.447SS*.  trans-7379.8169.8-87.5176.9-179.4-1780108.4K34 E35K34-K38 WeakPolarHBondContact O-CB 3.16Å; K34-K38 VanDerWaalsContact O-CG 3.26Å; K34-K38 WeakPolarHBondContact O-CG 3.13Å; K34-K38 PolarHBondContact O-N 3.36Å; E35-K38 PolarHBondContact O-N 3.26Å; E35-K38 VanDerWaalsContact O-N 3.15Å
39T58.2Low63.5Low32 Ų3280 Ų8020%0.19642%0.423CS..  trans-102.5160.3174.963.40000109.1L37 M41 E280L37-T39 PolarHBondContact O-N 2.85Å; T39-M41 PolarHBondContact O-N 3.38Å; T39-M41 VanDerWaalsContact O-N 3.13Å; T39-E280 VanDerWaalsContact CB-OE2 3.31Å; T39-E280 WeakPolarHBondContact CB-OE2 3.1Å; T39-E280 HydrophobicContact CG2-CB 4.08Å; T39-E280 VanDerWaalsContact CG2-CD 3.42Å; T39-E280 HydrophobicContact CG2-CG 3.71Å; T39-E280 WeakPolarHBondContact CG2-OE2 3.45Å
40G55Low64.8Low90 Ų9079 Ų7993%0.92842%0.418SS*.SBendtrans-72.25.3175.200000114.3
41M58.4Low66.6Low60 Ų6078.9 Ų78.930%0.29641%0.409SS..SBendtrans-112.1143.5-170.7-63.8-160.8-76.400112.4T39 A107 E280 E281T39-M41 PolarHBondContact O-N 3.38Å; T39-M41 VanDerWaalsContact O-N 3.13Å; M41-A107 HydrophobicContact CE-CB 4.43Å; M41-E280 HydrophobicContact CE-CB 3.44Å; M41-E280 VanDerWaalsContact CE-CB 3.44Å; M41-E280 HydrophobicContact CE-CG 4.03Å; M41-E280 WeakPolarHBondContact CE-OE2 3.48Å; M41-E281 HydrophobicContact CB-CG 4.12Å; M41-E281 HydrophobicContact CE-CG 4.32Å; M41-E281 HydrophobicContact SD-CG 4.05Å
42N65.3Low68.3Low142 Ų14268.1 Ų68.176%0.75937%0.37SS*.  trans-76.9129.6179.4-81.8-13000111.3C44N42-C44 VanDerWaalsContact C-N 3.32Å; N42-C44 PolarHBondContact O-N 3.15Å
43R75.4Confident69.9Low82 Ų8265.7 Ų65.731%0.30935%0.354SS..  trans-7875.9177-67.5175.1-177.6-113.6-25.1112.3L37 E281 K283L37-R43 PolarHBondContact O-NH2 2.95Å; R43-E281 CarbonylContact C-O 3.44Å; R43-E281 VanDerWaalsContact CA-O 3.31Å; R43-E281 WeakPolarHBondContact CA-O 3.07Å; R43-K283 WeakPolarHBondContact O-CG 3.31Å
44C79.5Confident71.6Confident69 Ų6963.9 Ų63.947%0.46635%0.345SS..  trans-103.6-20.8-175.659.50000113.9N42 E281 K283N42-C44 VanDerWaalsContact C-N 3.32Å; N42-C44 PolarHBondContact O-N 3.15Å; C44-E281 PolarHBondContact N-O 3Å; C44-E281 VanDerWaalsContact N-O 3.09Å; C44-K283 VanDerWaalsContact O-CE 3.29Å; C44-K283 WeakPolarHBondContact O-CE 3.36Å
45L80.5Confident73.4Confident22 Ų2256.8 Ų56.812%0.11532%0.315CS..BIsolated β-bridgetrans-79.5126-170.7-60.3178.4000112.3D49 L50 C278 E281 K283L45-D49 HydrophobicContact CB-CB 4.39Å; L45-D49 HydrophobicContact CD2-CB 3.91Å; L45-L50 HydrophobicContact CB-CD2 4.38Å; L45-L50 HydrophobicContact CB-CG 4.3Å; L45-L50 HydrophobicContact CD1-CD2 4Å; L45-C278 HydrophobicContact CD1-CB 3.77Å; L45-E281 HydrophobicContact CD1-CB 3.63Å; L45-E281 HydrophobicContact CG-CB 3.94Å; L45-E281 PolarHBondContact N-O 3.46Å; L45-K283 PolarHBondContact O-N 3.22Å
46T87.7Confident74.7Confident48 Ų4851.6 Ų51.629%0.29429%0.292SS..  trans-86.8170.8170.669.40000111V48 D49 L50 K283T46-V48 PolarHBondContact O-N 3.06Å; T46-V48 PolarHBondContact OG1-N 3.29Å; T46-D49 WeakPolarHBondContact CB-OD2 3.31Å; T46-D49 PolarHBondContact N-OD2 2.92Å; T46-D49 PolarHBondContact O-N 3.09Å; T46-D49 PolarHBondContact OG1-N 3.13Å; T46-D49 PolarHBondContact OG1-OD2 3.03Å; T46-L50 WeakPolarHBondContact O-CG 3.46Å; T46-L50 PolarHBondContact O-N 3.08Å; T46-K283 HydrophobicContact CG2-CD 4.25Å
47T89.3Confident76.1Confident40 Ų4051.3 Ų51.325%0.24529%0.292CS..Hα-helixtrans-58.9-36.2174.5-430000111.9L50 I51 S288 R291 A292T47-L50 PolarHBondContact O-N 3.49Å; T47-I51 HydrophobicContact CG2-CD1 4.23Å; T47-I51 VanDerWaalsContact O-CG1 3.26Å; T47-I51 WeakPolarHBondContact O-CG1 3.15Å; T47-I51 PolarHBondContact O-N 3.48Å; T47-S288 PolarHBondContact OG1-OG 2.74Å; T47-R291 HydrophobicContact CG2-CB 4.05Å; T47-A292 HydrophobicContact CG2-CB 4.31Å
48V86.6Confident77.7Confident95 Ų9549.6 Ų49.658%0.57628%0.283SS*.Hα-helixtrans-67.6-42.4178.8179.90000110.8T46 L50 I51 A52T46-V48 PolarHBondContact O-N 3.06Å; T46-V48 PolarHBondContact OG1-N 3.29Å; V48-L50 VanDerWaalsContact C-N 3.3Å; V48-L50 PolarHBondContact O-N 3.31Å; V48-I51 PolarHBondContact O-N 3.45Å; V48-A52 PolarHBondContact O-N 3.43Å
49D84.2Confident79.3Confident68 Ų6841.2 Ų41.236%0.36425%0.246SC..Hα-helixtrans-62.2-40.7177-53.6-46000111L45 T46 A52 Y53L45-D49 HydrophobicContact CB-CB 4.39Å; L45-D49 HydrophobicContact CD2-CB 3.91Å; T46-D49 WeakPolarHBondContact CB-OD2 3.31Å; T46-D49 PolarHBondContact N-OD2 2.92Å; T46-D49 PolarHBondContact O-N 3.09Å; T46-D49 PolarHBondContact OG1-N 3.13Å; T46-D49 PolarHBondContact OG1-OD2 3.03Å; D49-A52 PolarHBondContact O-N 3.13Å; D49-Y53 WeakPolarHBondContact O-CB 3.44Å; D49-Y53 PolarHBondContact O-N 3.01Å
50L85.3Confident80.3Confident0 Ų039.9 Ų39.90%024%0.239CC..Hα-helixtrans-67-38.3176.4-70.2167.2000112.6L45 T46 T47 V48 Y53 G54 I275 C278 A282 L289 A292L45-L50 HydrophobicContact CB-CD2 4.38Å; L45-L50 HydrophobicContact CB-CG 4.3Å; L45-L50 HydrophobicContact CD1-CD2 4Å; T46-L50 WeakPolarHBondContact O-CG 3.46Å; T46-L50 PolarHBondContact O-N 3.08Å; T47-L50 PolarHBondContact O-N 3.49Å; V48-L50 VanDerWaalsContact C-N 3.3Å; V48-L50 PolarHBondContact O-N 3.31Å; L50-Y53 PolarHBondContact O-N 3.22Å; L50-G54 PolarHBondContact O-N 2.91Å; L50-I275 HydrophobicContact CB-CG2 4.23Å; L50-I275 HydrophobicContact CD2-CG2 4.21Å; L50-C278 HydrophobicContact CD2-CB 3.74Å; L50-A282 HydrophobicContact CD1-CB 3.97Å; L50-L289 HydrophobicContact CD1-CD2 4.21Å; L50-A292 HydrophobicContact CB-CB 3.61Å
51I89.3Confident81.4Confident30 Ų3035.6 Ų35.615%0.15420%0.195CC..Hα-helixtrans-62.4-50.3173.5-69.6162000109.5T47 V48 Y53 G54 L55 A292 V295 A296 I299T47-I51 HydrophobicContact CG2-CD1 4.23Å; T47-I51 VanDerWaalsContact O-CG1 3.26Å; T47-I51 WeakPolarHBondContact O-CG1 3.15Å; T47-I51 PolarHBondContact O-N 3.48Å; V48-I51 PolarHBondContact O-N 3.45Å; I51-Y53 VanDerWaalsContact C-N 3.32Å; I51-Y53 PolarHBondContact O-N 3.22Å; I51-G54 PolarHBondContact O-N 3.14Å; I51-L55 HydrophobicContact CG2-CD1 4.03Å; I51-L55 HydrophobicContact CG2-CG 4.28Å; I51-L55 VanDerWaalsContact O-CG 3.31Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 3.34Å; I51-A292 HydrophobicContact CG1-CB 3.86Å; I51-V295 HydrophobicContact CD1-CB 4.09Å; I51-V295 HydrophobicContact CD1-CG1 3.82Å; I51-V295 HydrophobicContact CG1-CB 4.33Å; I51-V295 HydrophobicContact CG1-CG1 4.28Å; I51-V295 HydrophobicContact CG2-CG1 4.32Å; I51-A296 HydrophobicContact CG2-CB 4.49Å; I51-I299 HydrophobicContact CG2-CD1 4.29Å
52A84.3Confident82.7Confident7 Ų733 Ų336%0.05818%0.183CC..Hα-helixtrans-56.9-48.717800000110.5V48 D49 G54 L55 G56 I209V48-A52 PolarHBondContact O-N 3.43Å; D49-A52 PolarHBondContact O-N 3.13Å; A52-G54 PolarHBondContact O-N 3.21Å; A52-L55 WeakPolarHBondContact O-CB 3.33Å; A52-L55 PolarHBondContact O-N 3.42Å; A52-L55 VanDerWaalsContact O-N 3.15Å; A52-G56 PolarHBondContact O-N 2.81Å; A52-I209 WeakPolarHBondContact O-CD1 3.29Å
53Y80.3Confident84Confident46 Ų4626.3 Ų26.318%0.1815%0.147CC..Hα-helixtrans-56.2-47.1177.3-170.6-97.4000112.6D49 L50 I51 L55 G56 S57 A274 C278 T364D49-Y53 WeakPolarHBondContact O-CB 3.44Å; D49-Y53 PolarHBondContact O-N 3.01Å; L50-Y53 PolarHBondContact O-N 3.22Å; I51-Y53 VanDerWaalsContact C-N 3.32Å; I51-Y53 PolarHBondContact O-N 3.22Å; Y53-L55 PolarHBondContact O-N 3.49Å; Y53-G56 PolarHBondContact O-N 3.05Å; Y53-S57 PolarHBondContact O-N 3.18Å; Y53-S57 VanDerWaalsContact O-N 3.09Å; Y53-S57 PolarHBondContact O-OG 3.29Å; Y53-A274 HydrophobicContact CD1-CB 4.37Å; Y53-A274 HydrophobicContact CE1-CB 3.7Å; Y53-A274 WeakPolarHBondContact CE1-O 3.27Å; Y53-C278 VanDerWaalsContact CE1-SG 3.53Å; Y53-T364 HydrophobicContact CD2-CG2 4.33Å; Y53-T364 HydrophobicContact CE1-CG2 4.46Å; Y53-T364 HydrophobicContact CE2-CG2 3.56Å
54G85.1Confident84.7Confident0 Ų022.5 Ų22.50%013%0.132CC..Hα-helixtrans-63.7-36.517600000114.2L50 I51 A52 G56 S57 M58L50-G54 PolarHBondContact O-N 2.91Å; I51-G54 PolarHBondContact O-N 3.14Å; A52-G54 PolarHBondContact O-N 3.21Å; G54-G56 VanDerWaalsContact C-N 3.33Å; G54-S57 WeakPolarHBondContact CA-OG 3.38Å; G54-S57 PolarHBondContact O-OG 3.06Å; G54-M58 WeakPolarHBondContact O-CB 3.31Å; G54-M58 WeakPolarHBondContact O-CE 3.3Å; G54-M58 WeakPolarHBondContact O-CG 3.23Å; G54-M58 PolarHBondContact O-N 3.3Å; G54-M58 VanDerWaalsContact O-N 3.1Å
55L87.3Confident85.1Confident12 Ų1219.2 Ų19.26%0.06311%0.11CC..Hα-helixtrans-65.6-37.9173.6-69.5178.3000111.5I51 A52 Y53 L59 I209 A296 I299 V300I51-L55 HydrophobicContact CG2-CD1 4.03Å; I51-L55 HydrophobicContact CG2-CG 4.28Å; I51-L55 VanDerWaalsContact O-CG 3.31Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 3.34Å; A52-L55 WeakPolarHBondContact O-CB 3.33Å; A52-L55 PolarHBondContact O-N 3.42Å; A52-L55 VanDerWaalsContact O-N 3.15Å; Y53-L55 PolarHBondContact O-N 3.49Å; L55-L59 HydrophobicContact CB-CD1 4.48Å; L55-L59 VanDerWaalsContact O-CB 3.25Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 3.23Å; L55-I209 HydrophobicContact CB-CG2 3.69Å; L55-A296 HydrophobicContact CD2-CB 4.23Å; L55-A296 HydrophobicContact CG-CB 4.43Å; L55-I299 HydrophobicContact CD1-CD1 4.34Å; L55-I299 HydrophobicContact CD1-CG2 4.15Å; L55-I299 HydrophobicContact CD2-CB 3.95Å; L55-I299 HydrophobicContact CD2-CG2 3.69Å; L55-V300 HydrophobicContact CD2-CG2 3.59Å
56G79.8Confident85.5Confident6 Ų618.2 Ų18.26%0.06211%0.105CC..Hα-helixtrans-70.6-31.817800000114.9A52 Y53 G54 I209 C361A52-G56 PolarHBondContact O-N 2.81Å; Y53-G56 PolarHBondContact O-N 3.05Å; G54-G56 VanDerWaalsContact C-N 3.33Å; G56-I209 VanDerWaalsContact CA-CG1 3.45Å; G56-C361 PolarHBondContact O-SG 3.35Å; G56-C361 VanDerWaalsContact O-SG 3.37Å
57S81.3Confident85.8Confident13 Ų1315.9 Ų15.99%0.0919%0.091CC..Hα-helixtrans-74.3-39.4173.555.80000112.1Y53 G54 G271Y53-S57 PolarHBondContact O-N 3.18Å; Y53-S57 VanDerWaalsContact O-N 3.09Å; Y53-S57 PolarHBondContact O-OG 3.29Å; G54-S57 WeakPolarHBondContact CA-OG 3.38Å; G54-S57 PolarHBondContact O-OG 3.06Å; S57-G271 VanDerWaalsContact CB-O 3.31Å; S57-G271 WeakPolarHBondContact CB-O 3.46Å; S57-G271 PolarHBondContact OG-O 2.93Å
58M88.1Confident85.9Confident2 Ų214 Ų141%0.018%0.079CC..Hα-helixtrans-78.3-45.7-179-73-173.9-79.400114.2G54 G60 V268 F272 A296 V297 V300G54-M58 WeakPolarHBondContact O-CB 3.31Å; G54-M58 WeakPolarHBondContact O-CE 3.3Å; G54-M58 WeakPolarHBondContact O-CG 3.23Å; G54-M58 PolarHBondContact O-N 3.3Å; G54-M58 VanDerWaalsContact O-N 3.1Å; M58-G60 PolarHBondContact O-N 3.32Å; M58-V268 CarbonylContact C-O 3.39Å; M58-V268 WeakPolarHBondContact CB-O 3.34Å; M58-F272 HydrophobicContact CE-CB 4.19Å; M58-F272 HydrophobicContact CG-CB 4.25Å; M58-F272 HydrophobicContact SD-CB 3.67Å; M58-A296 HydrophobicContact CE-CB 3.45Å; M58-A296 VanDerWaalsContact CE-CB 3.45Å; M58-V297 HydrophobicContact CE-CG2 4.44Å; M58-V297 HydrophobicContact SD-CG2 4.15Å; M58-V300 HydrophobicContact CB-CG2 3.93Å; M58-V300 HydrophobicContact CE-CG2 3.88Å; M58-V300 HydrophobicContact SD-CG2 4.04Å
59L84.9Confident86.1Confident1 Ų19.7 Ų9.71%0.0055%0.054CC..SBendtrans-78.453.8-176.9-64.3174.2000112.5L55 N212 V213 L216 V300 L303L55-L59 HydrophobicContact CB-CD1 4.48Å; L55-L59 VanDerWaalsContact O-CB 3.25Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 3.23Å; L59-N212 PolarHBondContact O-ND2 2.9Å; L59-V213 HydrophobicContact CD1-CG2 3.51Å; L59-L216 HydrophobicContact CD2-CD1 4.23Å; L59-V300 HydrophobicContact CD2-CB 4.45Å; L59-V300 HydrophobicContact CD2-CG1 4.02Å; L59-V300 HydrophobicContact CD2-CG2 3.99Å; L59-V300 HydrophobicContact CG-CG2 3.99Å; L59-L303 HydrophobicContact CD1-CD1 4.08Å
60G78.9Confident86.4Confident4 Ų46.6 Ų6.64%0.0414%0.037CC..SBendtrans-80.8-153.2174.600000113.8M58 S62 C361M58-G60 PolarHBondContact O-N 3.32Å; G60-S62 PolarHBondContact O-N 3.46Å; G60-C361 VanDerWaalsContact CA-SG 3.55Å
61G77.5Confident86.8Confident0 Ų06.6 Ų6.60%04%0.037CC..THydrogen-bonded Turntrans-67.1-16.9-177.500000115.1I63 Y64 V65 C144G61-I63 PolarHBondContact O-N 3.23Å; G61-Y64 PolarHBondContact O-N 2.9Å; G61-V65 PolarHBondContact O-N 3.49Å; G61-C144 VanDerWaalsContact C-SG 3.59Å; G61-C144 PolarHBondContact O-SG 3.34Å; G61-C144 VanDerWaalsContact O-SG 3.35Å
62S86.6Confident86.8Confident6 Ų66.8 Ų6.84%0.0424%0.039CC..Hα-helixtrans-60.4-44.3-173.1-55.60000112.3G60 Y64 L66 T67 N267G60-S62 PolarHBondContact O-N 3.46Å; S62-Y64 PolarHBondContact O-N 3.09Å; S62-L66 WeakPolarHBondContact O-CA 2.95Å; S62-L66 WeakPolarHBondContact O-CB 3.39Å; S62-L66 PolarHBondContact O-N 3.42Å; S62-T67 PolarHBondContact O-N 3.23Å; S62-N267 PolarHBondContact OG-O 3.47Å
63I91.5Very high86.9Confident1 Ų110.6 Ų10.61%0.0055%0.051CC..Hα-helixtrans-64.1-40.8-180-17554.7000111.8G61 V65 T67 L216 T304 F326G61-I63 PolarHBondContact O-N 3.23Å; I63-V65 PolarHBondContact O-N 3.05Å; I63-T67 WeakPolarHBondContact CD1-OG1 3.49Å; I63-T67 VanDerWaalsContact O-CB 3.27Å; I63-T67 WeakPolarHBondContact O-CB 3.48Å; I63-T67 PolarHBondContact O-OG1 3.5Å; I63-L216 HydrophobicContact CG1-CD1 4.44Å; I63-L216 HydrophobicContact CG1-CD2 4.04Å; I63-L216 HydrophobicContact CG2-CD1 4.1Å; I63-L216 HydrophobicContact CG2-CD2 4.24Å; I63-T304 HydrophobicContact CD1-CG2 4.02Å; I63-T304 HydrophobicContact CG1-CG2 4.44Å; I63-F326 HydrophobicContact CD1-CE2 4.46Å; I63-F326 HydrophobicContact CD1-CZ 4.37Å; I63-F326 HydrophobicContact CG1-CE2 4.22Å; I63-F326 HydrophobicContact CG1-CZ 4.4Å; I63-F326 WeakPolarHBondContact O-CE2 3.34Å
64Y90Very high87.3Confident2 Ų212.5 Ų12.51%0.0086%0.058CC..Hα-helixtrans-74.6-25.4-173-67.8-69.8000115G61 S62 N212 L216 S325 F326 V350 L358G61-Y64 PolarHBondContact O-N 2.9Å; S62-Y64 PolarHBondContact O-N 3.09Å; Y64-N212 WeakPolarHBondContact CE2-OD1 3.46Å; Y64-N212 PolarHBondContact OH-OD1 3.49Å; Y64-L216 HydrophobicContact CD1-CD2 4.33Å; Y64-L216 HydrophobicContact CE1-CD2 3.53Å; Y64-L216 HydrophobicContact CE1-CG 4.34Å; Y64-L216 WeakPolarHBondContact OH-CG 3.15Å; Y64-S325 WeakPolarHBondContact O-CB 3.4Å; Y64-S325 PolarHBondContact O-N 3.22Å; Y64-S325 PolarHBondContact O-OG 2.88Å; Y64-F326 AromaticContact CD1-CD2 3.88Å; Y64-F326 HydrophobicContact CD1-CD2 3.88Å; Y64-F326 HydrophobicContact CD1-CE2 4.34Å; Y64-V350 HydrophobicContact CE1-CG1 4.48Å; Y64-L358 HydrophobicContact CD2-CD2 4.27Å
65V88.9Confident87.6Confident0 Ų012.5 Ų12.50%06%0.058CC..Hα-helixtrans-120.5-53-172.7-173.80000111.7G61 I63 T67 G68 A69 C144 M148 T322 E323 S325 V416G61-V65 PolarHBondContact O-N 3.49Å; I63-V65 PolarHBondContact O-N 3.05Å; V65-T67 PolarHBondContact O-N 3.45Å; V65-G68 PolarHBondContact O-N 3.2Å; V65-G68 VanDerWaalsContact O-N 3.16Å; V65-A69 PolarHBondContact O-N 3.16Å; V65-C144 HydrophobicContact CG2-CB 3.68Å; V65-C144 VanDerWaalsContact CG2-SG 3.54Å; V65-M148 HydrophobicContact CG2-CE 3.48Å; V65-M148 VanDerWaalsContact CG2-CE 3.48Å; V65-T322 WeakPolarHBondContact CG1-O 3.26Å; V65-E323 WeakPolarHBondContact CG1-O 3.18Å; V65-E323 WeakPolarHBondContact CG2-O 3.46Å; V65-S325 PolarHBondContact O-OG 3.19Å; V65-V416 HydrophobicContact CB-CG1 4.28Å; V65-V416 HydrophobicContact CG1-CB 4.38Å; V65-V416 HydrophobicContact CG1-CG1 3.73Å; V65-V416 HydrophobicContact CG1-CG2 4.41Å
66L87.8Confident87.8Confident1 Ų112 Ų121%0.0056%0.055CC..Hα-helixtrans-66.6-28.6-172.9-15964.8000112S62 G68 A69 V70 I264 N267 A420S62-L66 WeakPolarHBondContact O-CA 2.95Å; S62-L66 WeakPolarHBondContact O-CB 3.39Å; S62-L66 PolarHBondContact O-N 3.42Å; L66-G68 VanDerWaalsContact C-N 3.34Å; L66-G68 PolarHBondContact O-N 3.35Å; L66-A69 HydrophobicContact CD1-CB 4.48Å; L66-A69 PolarHBondContact O-N 2.99Å; L66-V70 HydrophobicContact CG-CG2 4.2Å; L66-V70 WeakPolarHBondContact O-CB 3.47Å; L66-V70 VanDerWaalsContact O-CG2 3.28Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 3.36Å; L66-I264 HydrophobicContact CD1-CG2 3.61Å; L66-I264 HydrophobicContact CD2-CG2 3.51Å; L66-I264 WeakPolarHBondContact CD2-O 3.34Å; L66-I264 HydrophobicContact CG-CG2 3.55Å; L66-N267 HydrophobicContact CD2-CB 3.69Å; L66-A420 HydrophobicContact CD1-CB 3.64Å; L66-A420 HydrophobicContact CD2-CB 3.81Å; L66-A420 HydrophobicContact CG-CB 4.39Å
67T93.9Very high88.4Confident0 Ų011.7 Ų11.70%05%0.053CC..Hα-helixtrans-55.1-49.3173.6-570000111.3S62 I63 V65 M71 V79 Y83 L311S62-T67 PolarHBondContact O-N 3.23Å; I63-T67 WeakPolarHBondContact CD1-OG1 3.49Å; I63-T67 VanDerWaalsContact O-CB 3.27Å; I63-T67 WeakPolarHBondContact O-CB 3.48Å; I63-T67 PolarHBondContact O-OG1 3.5Å; V65-T67 PolarHBondContact O-N 3.45Å; T67-M71 HydrophobicContact CG2-CE 4.11Å; T67-M71 WeakPolarHBondContact O-CB 3.18Å; T67-M71 PolarHBondContact O-N 3.28Å; T67-V79 HydrophobicContact CG2-CG2 4.38Å; T67-Y83 HydrophobicContact CG2-CE2 4.17Å; T67-Y83 PolarHBondContact OG1-OH 3.39Å; T67-L311 HydrophobicContact CG2-CD2 3.95Å
68G92.1Very high89.1Confident0 Ų011 Ų110%05%0.048CC..Hα-helixtrans-69-38.2178.700000112.3V65 L66 M71 N72 S325V65-G68 PolarHBondContact O-N 3.2Å; V65-G68 VanDerWaalsContact O-N 3.16Å; L66-G68 VanDerWaalsContact C-N 3.34Å; L66-G68 PolarHBondContact O-N 3.35Å; G68-M71 PolarHBondContact O-N 2.71Å; G68-N72 WeakPolarHBondContact O-CB 3.06Å; G68-N72 PolarHBondContact O-N 2.73Å; G68-S325 WeakPolarHBondContact CA-OG 3.42Å; G68-S325 PolarHBondContact N-OG 2.92Å
69A90.2Very high89.4Confident5 Ų511 Ų114%0.0415%0.048CC..Hα-helixtrans-60.4-47.4175.100000112.6V65 L66 R73 T322 D417V65-A69 PolarHBondContact O-N 3.16Å; L66-A69 HydrophobicContact CD1-CB 4.48Å; L66-A69 PolarHBondContact O-N 2.99Å; A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 PolarHBondContact O-N 3.46Å; A69-T322 HydrophobicContact CB-CG2 4.27Å; A69-D417 WeakPolarHBondContact CB-OD1 3.28Å
70V91.8Very high90Very high2 Ų212.4 Ų12.41%0.0125%0.054CC..Hα-helixtrans-69-39178.1175.80000111.5L66 R74 T75 V79 I264L66-V70 HydrophobicContact CG-CG2 4.2Å; L66-V70 WeakPolarHBondContact O-CB 3.47Å; L66-V70 VanDerWaalsContact O-CG2 3.28Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 3.36Å; V70-R74 HydrophobicContact CG1-CB 4.32Å; V70-R74 WeakPolarHBondContact O-CA 3.46Å; V70-R74 WeakPolarHBondContact O-CB 3.5Å; V70-R74 PolarHBondContact O-N 2.83Å; V70-T75 HydrophobicContact CG1-CG2 3.61Å; V70-T75 PolarHBondContact O-N 3.01Å; V70-T75 PolarHBondContact O-OG1 2.94Å; V70-V79 HydrophobicContact CG1-CG2 4.21Å; V70-I264 HydrophobicContact CG2-CB 3.71Å; V70-I264 HydrophobicContact CG2-CD1 4.42Å; V70-I264 HydrophobicContact CG2-CG2 3.35Å
71M92.9Very high90.8Very high0 Ų014.8 Ų14.80%07%0.066CC..Iπ-helixtrans-65-47.5177.3-161.8-168.3-56.600111.1T67 G68 T75 G76 V79 L311 T312 W317 I320T67-M71 HydrophobicContact CG2-CE 4.11Å; T67-M71 WeakPolarHBondContact O-CB 3.18Å; T67-M71 PolarHBondContact O-N 3.28Å; G68-M71 PolarHBondContact O-N 2.71Å; M71-T75 WeakPolarHBondContact CA-OG1 3.46Å; M71-G76 WeakPolarHBondContact CG-O 3.31Å; M71-G76 WeakPolarHBondContact O-CA 3.06Å; M71-G76 PolarHBondContact O-N 2.59Å; M71-V79 HydrophobicContact CB-CB 4.16Å; M71-V79 HydrophobicContact CB-CG1 4.22Å; M71-V79 HydrophobicContact CB-CG2 4.35Å; M71-V79 HydrophobicContact CE-CG1 3.59Å; M71-V79 HydrophobicContact CG-CB 4.09Å; M71-V79 HydrophobicContact CG-CG1 3.81Å; M71-V79 HydrophobicContact SD-CG1 4.28Å; M71-L311 HydrophobicContact CE-CB 4.18Å; M71-L311 HydrophobicContact CE-CD2 3.7Å; M71-L311 HydrophobicContact CE-CG 3.81Å; M71-T312 WeakPolarHBondContact CE-OG1 3.43Å; M71-T312 PolarHBondContact SD-OG1 2.64Å; M71-W317 HydrophobicContact CG-CB 3.91Å; M71-W317 HydrophobicContact SD-CB 3.67Å; M71-I320 HydrophobicContact CE-CD1 3.84Å; M71-I320 HydrophobicContact SD-CD1 3.31Å; M71-I320 WeakPolarHBondContact SD-CD1 3.35Å
72N90.1Very high91.7Very high35 Ų3514.8 Ų14.819%0.1877%0.066CC..Iπ-helixtrans-70.3-42.1-177-170.9-90.4000112.6G68 F253 F318 T322G68-N72 WeakPolarHBondContact O-CB 3.06Å; G68-N72 PolarHBondContact O-N 2.73Å; N72-F253 WeakPolarHBondContact O-CZ 3.21Å; N72-F318 PolarHBondContact ND2-O 2.75Å; N72-T322 HydrophobicContact CB-CG2 4.21Å
73R86.3Confident92.2Very high87 Ų8714.5 Ų14.533%0.3286%0.064SC..Iπ-helixtrans-104.4-15-168.7-60.2-171.7-178.8157.112.1116A69 D417A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 PolarHBondContact O-N 3.46Å; R73-D417 IonicContact CZ-OD2 3.8Å; R73-D417 IonicContact NH1-OD2 2.6Å; R73-D417 PolarHBondContact NH1-OD2 3.33Å; R73-D417 IonicContact NH2-OD2 2.7Å
74R87.3Confident92.5Very high85 Ų8518.2 Ų18.232%0.3218%0.083SC..Iπ-helixtrans-133.2-43.5-169.4-63.3-67.3-169136.87.3115.2V70 F253 G257 I264V70-R74 HydrophobicContact CG1-CB 4.32Å; V70-R74 WeakPolarHBondContact O-CA 3.46Å; V70-R74 WeakPolarHBondContact O-CB 3.5Å; V70-R74 PolarHBondContact O-N 2.83Å; R74-F253 WeakPolarHBondContact O-CB 3.33Å; R74-F253 WeakPolarHBondContact O-CD2 3.26Å; R74-F253 VanDerWaalsContact O-CG 3.27Å; R74-F253 WeakPolarHBondContact O-CG 3.43Å; R74-G257 CarbonylContact O-C 3.22Å; R74-G257 WeakPolarHBondContact O-CA 3.45Å; R74-I264 HydrophobicContact CG-CD1 4.42Å
75T92Very high92.8Very high1 Ų122 Ų221%0.00610%0.102CC..Iπ-helixtrans-114.4-24.2-16756.30000113.7V70 M71 V79 A82V70-T75 HydrophobicContact CG1-CG2 3.61Å; V70-T75 PolarHBondContact O-N 3.01Å; V70-T75 PolarHBondContact O-OG1 2.94Å; M71-T75 WeakPolarHBondContact CA-OG1 3.46Å; T75-V79 WeakPolarHBondContact OG1-CA 3.25Å; T75-V79 WeakPolarHBondContact OG1-CB 3.05Å; T75-A82 HydrophobicContact CG2-CB 4.11Å
76G91.8Very high93.1Very high0 Ų022 Ų220%010%0.102CC..G310 helixtrans63.1-141.8-168.700000110.8M71 A78 V79M71-G76 WeakPolarHBondContact CG-O 3.31Å; M71-G76 WeakPolarHBondContact O-CA 3.06Å; M71-G76 PolarHBondContact O-N 2.59Å; G76-A78 PolarHBondContact O-N 3.38Å; G76-V79 PolarHBondContact O-N 3.25Å
77P93.4Very high93.5Very high0 Ų023 Ų230%011%0.11CC..G310 helixtrans-69.5-12.6-177.729.1-33.2000113.6V79 F80 L232 F250 T312P77-V79 PolarHBondContact O-N 3.17Å; P77-F80 WeakPolarHBondContact O-CD1 2.9Å; P77-F80 WeakPolarHBondContact O-CE1 3.23Å; P77-L232 HydrophobicContact CB-CD2 4.3Å; P77-L232 WeakPolarHBondContact CG-O 3.29Å; P77-F250 HydrophobicContact CB-CD2 4.42Å; P77-F250 WeakPolarHBondContact CD-O 3.47Å; P77-F250 HydrophobicContact CG-CD2 4.05Å; P77-F250 VanDerWaalsContact CG-O 3.28Å; P77-F250 WeakPolarHBondContact CG-O 3.4Å; P77-T312 VanDerWaalsContact CA-CG2 3.48Å; P77-T312 HydrophobicContact CB-CG2 3.39Å
78A94.7Very high93.5Very high0 Ų028.6 Ų28.60%013%0.134CC..G310 helixtrans-78.89.9178.700000114.8G76 F80 L81 A82 F250 L251 L258G76-A78 PolarHBondContact O-N 3.38Å; A78-F80 PolarHBondContact O-N 3.5Å; A78-F80 VanDerWaalsContact O-N 3.16Å; A78-L81 HydrophobicContact CB-CD1 4.32Å; A78-L81 WeakPolarHBondContact O-CB 2.99Å; A78-L81 PolarHBondContact O-N 3.42Å; A78-A82 PolarHBondContact O-N 2.94Å; A78-F250 HydrophobicContact CB-CD1 4.41Å; A78-F250 HydrophobicContact CB-CE1 3.88Å; A78-F250 HydrophobicContact CB-CE2 4.38Å; A78-F250 HydrophobicContact CB-CZ 3.86Å; A78-L251 HydrophobicContact CB-CD2 3.5Å; A78-L251 HydrophobicContact CB-CG 4.29Å; A78-L258 HydrophobicContact CB-CD1 4.26Å
79V95.8Very high93.7Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-55.3-33.7-178.264.90000113.5T67 V70 M71 T75 G76 P77 L81 A82 Y83T67-V79 HydrophobicContact CG2-CG2 4.38Å; V70-V79 HydrophobicContact CG1-CG2 4.21Å; M71-V79 HydrophobicContact CB-CB 4.16Å; M71-V79 HydrophobicContact CB-CG1 4.22Å; M71-V79 HydrophobicContact CB-CG2 4.35Å; M71-V79 HydrophobicContact CE-CG1 3.59Å; M71-V79 HydrophobicContact CG-CB 4.09Å; M71-V79 HydrophobicContact CG-CG1 3.81Å; M71-V79 HydrophobicContact SD-CG1 4.28Å; T75-V79 WeakPolarHBondContact OG1-CA 3.25Å; T75-V79 WeakPolarHBondContact OG1-CB 3.05Å; G76-V79 PolarHBondContact O-N 3.25Å; P77-V79 PolarHBondContact O-N 3.17Å; V79-L81 VanDerWaalsContact C-N 3.29Å; V79-L81 PolarHBondContact O-N 3.14Å; V79-A82 VanDerWaalsContact O-CB 3.31Å; V79-A82 WeakPolarHBondContact O-CB 3.44Å; V79-A82 PolarHBondContact O-N 3.2Å; V79-A82 VanDerWaalsContact O-N 3.11Å; V79-Y83 HydrophobicContact CG2-CD2 4.19Å; V79-Y83 HydrophobicContact CG2-CE2 3.96Å; V79-Y83 WeakPolarHBondContact O-CD2 3.3Å; V79-Y83 PolarHBondContact O-N 2.86Å; V79-Y83 VanDerWaalsContact O-N 3.07Å
80F96.5Very high93.9Very high31 Ų3128.8 Ų28.814%0.13614%0.135CC..Hα-helixtrans-66.7-31.2177.870.7-86.3000112.2P77 A78 A82 Y83 I84 F250 T305 S308 L309P77-F80 WeakPolarHBondContact O-CD1 2.9Å; P77-F80 WeakPolarHBondContact O-CE1 3.23Å; A78-F80 PolarHBondContact O-N 3.5Å; A78-F80 VanDerWaalsContact O-N 3.16Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-Y83 PolarHBondContact O-N 3.26Å; F80-I84 HydrophobicContact CD2-CD1 4.31Å; F80-I84 WeakPolarHBondContact O-CG1 3.47Å; F80-I84 PolarHBondContact O-N 3.25Å; F80-F250 AromaticContact CE1-CE2 3.83Å; F80-F250 HydrophobicContact CE1-CE2 3.83Å; F80-F250 AromaticContact CE1-CZ 3.75Å; F80-F250 HydrophobicContact CE1-CZ 3.75Å; F80-F250 HydrophobicContact CZ-CE2 4.11Å; F80-F250 AromaticContact CZ-CZ 3.72Å; F80-F250 HydrophobicContact CZ-CZ 3.72Å; F80-T305 HydrophobicContact CB-CG2 4.28Å; F80-S308 WeakPolarHBondContact CA-OG 3.22Å; F80-S308 WeakPolarHBondContact CB-OG 3.43Å; F80-L309 HydrophobicContact CB-CB 3.99Å; F80-L309 HydrophobicContact CD1-CD1 3.8Å; F80-L309 HydrophobicContact CD2-CD1 4.48Å; F80-L309 HydrophobicContact CE1-CD1 3.94Å; F80-L309 HydrophobicContact CG-CB 4.21Å; F80-L309 HydrophobicContact CG-CD1 4.09Å; F80-L309 HydrophobicContact CZ-CD1 4.34Å
81L96.6Very high94Very high55 Ų5531 Ų3129%0.28815%0.147SC..Hα-helixtrans-68.1-36.7172.4-63.2179000111A78 V79 Y83 I84 L85 F250 L258A78-L81 HydrophobicContact CB-CD1 4.32Å; A78-L81 WeakPolarHBondContact O-CB 2.99Å; A78-L81 PolarHBondContact O-N 3.42Å; V79-L81 VanDerWaalsContact C-N 3.29Å; V79-L81 PolarHBondContact O-N 3.14Å; L81-Y83 VanDerWaalsContact C-N 3.3Å; L81-Y83 PolarHBondContact O-N 2.96Å; L81-I84 HydrophobicContact CD2-CD1 4.21Å; L81-I84 PolarHBondContact O-N 3.06Å; L81-L85 WeakPolarHBondContact O-CG 3.26Å; L81-L85 PolarHBondContact O-N 3.36Å; L81-F250 HydrophobicContact CD1-CE1 3.64Å; L81-F250 HydrophobicContact CD1-CZ 3.78Å; L81-F250 HydrophobicContact CG-CZ 4.45Å; L81-L258 HydrophobicContact CB-CD1 3.97Å
82A95.9Very high94.1Very high0 Ų032 Ų320%015%0.151CC..Hα-helixtrans-62.2-39.1173.600000111.4T75 A78 V79 F80 L85 A86 L258 T262 C265T75-A82 HydrophobicContact CG2-CB 4.11Å; A78-A82 PolarHBondContact O-N 2.94Å; V79-A82 VanDerWaalsContact O-CB 3.31Å; V79-A82 WeakPolarHBondContact O-CB 3.44Å; V79-A82 PolarHBondContact O-N 3.2Å; V79-A82 VanDerWaalsContact O-N 3.11Å; F80-A82 VanDerWaalsContact C-N 3.34Å; A82-L85 PolarHBondContact O-N 3.49Å; A82-A86 VanDerWaalsContact O-CB 3.23Å; A82-A86 WeakPolarHBondContact O-CB 3.4Å; A82-A86 PolarHBondContact O-N 2.82Å; A82-L258 HydrophobicContact CB-CD1 4.04Å; A82-T262 WeakPolarHBondContact CA-OG1 3.3Å; A82-C265 HydrophobicContact CB-CB 4.45Å
83Y97.1Very high94.3Very high0 Ų030.3 Ų30.30%014%0.142CC..Hα-helixtrans-66.2-38.9172.9-82.1-62.7000113.6T67 V79 F80 L81 A86 S87 C265 V268 F269 S308T67-Y83 HydrophobicContact CG2-CE2 4.17Å; T67-Y83 PolarHBondContact OG1-OH 3.39Å; V79-Y83 HydrophobicContact CG2-CD2 4.19Å; V79-Y83 HydrophobicContact CG2-CE2 3.96Å; V79-Y83 WeakPolarHBondContact O-CD2 3.3Å; V79-Y83 PolarHBondContact O-N 2.86Å; V79-Y83 VanDerWaalsContact O-N 3.07Å; F80-Y83 PolarHBondContact O-N 3.26Å; L81-Y83 VanDerWaalsContact C-N 3.3Å; L81-Y83 PolarHBondContact O-N 2.96Å; Y83-A86 PolarHBondContact O-N 2.99Å; Y83-S87 WeakPolarHBondContact O-CB 3.41Å; Y83-S87 PolarHBondContact O-N 3.15Å; Y83-C265 HydrophobicContact CD1-CB 3.8Å; Y83-C265 HydrophobicContact CE1-CB 3.66Å; Y83-C265 HydrophobicContact CG-CB 4.32Å; Y83-V268 HydrophobicContact CE1-CB 4.12Å; Y83-V268 HydrophobicContact CE1-CG2 3.52Å; Y83-F269 HydrophobicContact CD1-CE2 4.44Å; Y83-S308 WeakPolarHBondContact CD2-OG 3.02Å
84I97.5Very high94.6Very high78 Ų7826.1 Ų26.140%0.413%0.127SC..Hα-helixtrans-60.9-48.7174.1-70165.7000110.2F80 L81 S87 F88 T305F80-I84 HydrophobicContact CD2-CD1 4.31Å; F80-I84 WeakPolarHBondContact O-CG1 3.47Å; F80-I84 PolarHBondContact O-N 3.25Å; L81-I84 HydrophobicContact CD2-CD1 4.21Å; L81-I84 PolarHBondContact O-N 3.06Å; I84-S87 PolarHBondContact O-N 3.37Å; I84-S87 PolarHBondContact O-OG 2.95Å; I84-F88 PolarHBondContact O-N 3.09Å; I84-F88 VanDerWaalsContact O-N 3.14Å; I84-T305 HydrophobicContact CD1-CG2 3.78Å; I84-T305 HydrophobicContact CG1-CG2 3.59Å
85L95.8Very high94.8Very high81 Ų8123.4 Ų23.442%0.42412%0.118SC..Hα-helixtrans-61.9-46.5177.9-67.3174.4000111.2L81 A82 S87 F88 V89 L258 T262L81-L85 WeakPolarHBondContact O-CG 3.26Å; L81-L85 PolarHBondContact O-N 3.36Å; A82-L85 PolarHBondContact O-N 3.49Å; L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 2.64Å; L85-F88 WeakPolarHBondContact O-CB 3.31Å; L85-F88 PolarHBondContact O-N 2.95Å; L85-F88 VanDerWaalsContact O-N 3.15Å; L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.12Å; L85-V89 PolarHBondContact O-N 3.38Å; L85-V89 VanDerWaalsContact O-N 3.14Å; L85-L258 HydrophobicContact CD1-CD2 4.4Å; L85-L258 HydrophobicContact CD1-CG 4.39Å; L85-T262 HydrophobicContact CB-CG2 3.58Å
86A95.2Very high94.9Very high0 Ų023.3 Ų23.30%012%0.118CC..Hα-helixtrans-60.2-37.3177.700000112.1A82 Y83 F88 V89 A90 T262 C265 F266 F269A82-A86 VanDerWaalsContact O-CB 3.23Å; A82-A86 WeakPolarHBondContact O-CB 3.4Å; A82-A86 PolarHBondContact O-N 2.82Å; Y83-A86 PolarHBondContact O-N 2.99Å; A86-F88 PolarHBondContact O-N 3.03Å; A86-V89 PolarHBondContact O-N 3.46Å; A86-A90 WeakPolarHBondContact O-CB 3.38Å; A86-A90 PolarHBondContact O-N 2.68Å; A86-T262 HydrophobicContact CB-CG2 4.07Å; A86-C265 HydrophobicContact CB-CB 4.07Å; A86-F266 HydrophobicContact CB-CB 4.43Å; A86-F269 HydrophobicContact CB-CD2 4.13Å; A86-F269 HydrophobicContact CB-CE2 3.81Å
87S96Very high94.7Very high23 Ų2323.4 Ų23.416%0.16112%0.118CC..Hα-helixtrans-66.3-36.317777.40000113Y83 I84 L85 A90 L91 F269 A301Y83-S87 WeakPolarHBondContact O-CB 3.41Å; Y83-S87 PolarHBondContact O-N 3.15Å; I84-S87 PolarHBondContact O-N 3.37Å; I84-S87 PolarHBondContact O-OG 2.95Å; L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 2.64Å; S87-A90 PolarHBondContact O-N 3.47Å; S87-L91 WeakPolarHBondContact O-CB 3.21Å; S87-L91 PolarHBondContact O-N 3.21Å; S87-F269 VanDerWaalsContact CB-CZ 3.41Å; S87-A301 VanDerWaalsContact CB-CB 3.4Å
88F95.5Very high94.6Very high118 Ų11823.5 Ų23.552%0.51812%0.119SC..Hα-helixtrans-65.1-43.8174.5179.4-102.1000110.7I84 L85 A86 A90 L91 L92 I589I84-F88 PolarHBondContact O-N 3.09Å; I84-F88 VanDerWaalsContact O-N 3.14Å; L85-F88 WeakPolarHBondContact O-CB 3.31Å; L85-F88 PolarHBondContact O-N 2.95Å; L85-F88 VanDerWaalsContact O-N 3.15Å; A86-F88 PolarHBondContact O-N 3.03Å; F88-A90 PolarHBondContact O-N 3.43Å; F88-L91 PolarHBondContact O-N 3.46Å; F88-L92 HydrophobicContact CD1-CD1 4.06Å; F88-L92 HydrophobicContact CE1-CD1 3.51Å; F88-L92 HydrophobicContact CE1-CG 4.22Å; F88-L92 HydrophobicContact CZ-CD1 3.87Å; F88-L92 HydrophobicContact CZ-CD2 4.38Å; F88-L92 HydrophobicContact CZ-CG 4.25Å; F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.11Å; F88-I589 HydrophobicContact CE1-CD1 4.18Å
89V94.6Very high94.4Very high9 Ų923.5 Ų23.56%0.05512%0.119CC..Hα-helixtrans-61-45.3174.8-174.80000111.1L85 A86 L91 L92 N93 F266 I589 L593L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.12Å; L85-V89 PolarHBondContact O-N 3.38Å; L85-V89 VanDerWaalsContact O-N 3.14Å; A86-V89 PolarHBondContact O-N 3.46Å; V89-L91 VanDerWaalsContact C-N 3.34Å; V89-L91 PolarHBondContact O-N 3.07Å; V89-L92 PolarHBondContact O-N 3.21Å; V89-N93 PolarHBondContact O-N 3.32Å; V89-N93 PolarHBondContact O-ND2 2.94Å; V89-N93 VanDerWaalsContact O-ND2 3.15Å; V89-F266 HydrophobicContact CB-CD2 4.23Å; V89-F266 HydrophobicContact CB-CE2 4.16Å; V89-F266 HydrophobicContact CG1-CD2 4.14Å; V89-F266 HydrophobicContact CG1-CE2 3.82Å; V89-I589 HydrophobicContact CB-CG2 4.14Å; V89-I589 HydrophobicContact CG1-CG2 3.71Å; V89-I589 HydrophobicContact CG2-CG2 3.41Å; V89-I589 VanDerWaalsContact CG2-CG2 3.41Å; V89-L593 HydrophobicContact CB-CD1 4.42Å; V89-L593 HydrophobicContact CG1-CD1 3.9Å; V89-L593 HydrophobicContact CG2-CD1 4.07Å
90A94.9Very high94.1Very high0 Ų023.5 Ų23.50%012%0.119CC..Hα-helixtrans-60.8-43.1177.300000111.7A86 S87 F88 L92 N93 S94 F266 F269 V297A86-A90 WeakPolarHBondContact O-CB 3.38Å; A86-A90 PolarHBondContact O-N 2.68Å; S87-A90 PolarHBondContact O-N 3.47Å; F88-A90 PolarHBondContact O-N 3.43Å; A90-L92 PolarHBondContact O-N 2.78Å; A90-N93 PolarHBondContact O-N 3.03Å; A90-S94 WeakPolarHBondContact O-CB 3.3Å; A90-S94 PolarHBondContact O-N 3.07Å; A90-S94 PolarHBondContact O-OG 2.91Å; A90-F266 HydrophobicContact CB-CE2 4.03Å; A90-F269 HydrophobicContact CB-CB 3.43Å; A90-F269 VanDerWaalsContact CB-CB 3.43Å; A90-F269 HydrophobicContact CB-CD1 3.72Å; A90-F269 HydrophobicContact CB-CD2 4Å; A90-F269 HydrophobicContact CB-CE1 4.5Å; A90-F269 HydrophobicContact CB-CG 3.43Å; A90-F269 VanDerWaalsContact CB-CG 3.43Å; A90-V297 HydrophobicContact CB-CG1 4.04Å
91L94.4Very high93.6Very high49 Ų4922.1 Ų22.126%0.25711%0.113SC..Hα-helixtrans-61.9-45.9178.1-173.364.2000111.1S87 F88 V89 N93 S94 L95 I294 V297S87-L91 WeakPolarHBondContact O-CB 3.21Å; S87-L91 PolarHBondContact O-N 3.21Å; F88-L91 PolarHBondContact O-N 3.46Å; V89-L91 VanDerWaalsContact C-N 3.34Å; V89-L91 PolarHBondContact O-N 3.07Å; L91-N93 PolarHBondContact O-N 3.5Å; L91-S94 WeakPolarHBondContact CA-OG 2.93Å; L91-S94 PolarHBondContact O-N 3.23Å; L91-S94 PolarHBondContact O-OG 3.4Å; L91-L95 HydrophobicContact CG-CD1 4.36Å; L91-L95 VanDerWaalsContact O-CG 3.25Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 3.46Å; L91-I294 HydrophobicContact CD1-CG1 4.32Å; L91-I294 HydrophobicContact CD1-CG2 4.25Å; L91-V297 HydrophobicContact CB-CG1 4.33Å; L91-V297 HydrophobicContact CD1-CG1 4.49Å
92L94.8Very high93.1Very high19 Ų1919.6 Ų19.610%0.09910%0.1CC..Hα-helixtrans-60-46.9175.8-67.2179000111.9F88 V89 A90 S94 L95 N96 I582 I589F88-L92 HydrophobicContact CD1-CD1 4.06Å; F88-L92 HydrophobicContact CE1-CD1 3.51Å; F88-L92 HydrophobicContact CE1-CG 4.22Å; F88-L92 HydrophobicContact CZ-CD1 3.87Å; F88-L92 HydrophobicContact CZ-CD2 4.38Å; F88-L92 HydrophobicContact CZ-CG 4.25Å; F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.11Å; V89-L92 PolarHBondContact O-N 3.21Å; A90-L92 PolarHBondContact O-N 2.78Å; L92-S94 PolarHBondContact O-N 2.99Å; L92-L95 PolarHBondContact O-N 3.25Å; L92-N96 PolarHBondContact O-N 2.75Å; L92-N96 PolarHBondContact O-ND2 2.82Å; L92-I582 HydrophobicContact CD2-CG2 4.1Å; L92-I589 HydrophobicContact CD1-CD1 3.67Å
93N93.8Very high92.6Very high0 Ų020.5 Ų20.50%010%0.103CC..Hα-helixtrans-60-44.9175.9-77.6-45.8000111.7V89 A90 L91 L95 N96 Y97 F272 Y431 T586 N590V89-N93 PolarHBondContact O-N 3.32Å; V89-N93 PolarHBondContact O-ND2 2.94Å; V89-N93 VanDerWaalsContact O-ND2 3.15Å; A90-N93 PolarHBondContact O-N 3.03Å; L91-N93 PolarHBondContact O-N 3.5Å; N93-L95 VanDerWaalsContact C-N 3.31Å; N93-L95 PolarHBondContact O-N 3.44Å; N93-N96 PolarHBondContact O-N 3.14Å; N93-Y97 PolarHBondContact O-N 2.83Å; N93-F272 HydrophobicContact CB-CE1 4.1Å; N93-F272 HydrophobicContact CB-CZ 3.95Å; N93-Y431 HydrophobicContact CB-CD2 3.78Å; N93-Y431 HydrophobicContact CB-CE2 4.3Å; N93-Y431 HydrophobicContact CB-CG 4.31Å; N93-Y431 WeakPolarHBondContact OD1-CB 3.29Å; N93-T586 WeakPolarHBondContact OD1-CG2 3.46Å; N93-N590 PolarHBondContact ND2-OD1 3.13Å; N93-N590 PolarHBondContact OD1-ND2 3.16Å; N93-N590 PolarHBondContact OD1-OD1 3.02Å
94S92.4Very high91.8Very high0 Ų020.7 Ų20.70%011%0.105CC..Hα-helixtrans-61.4-37.6-179.983.20000112.6A90 L91 L92 Y97 S98 N293A90-S94 WeakPolarHBondContact O-CB 3.3Å; A90-S94 PolarHBondContact O-N 3.07Å; A90-S94 PolarHBondContact O-OG 2.91Å; L91-S94 WeakPolarHBondContact CA-OG 2.93Å; L91-S94 PolarHBondContact O-N 3.23Å; L91-S94 PolarHBondContact O-OG 3.4Å; L92-S94 PolarHBondContact O-N 2.99Å; S94-Y97 PolarHBondContact O-N 3.14Å; S94-S98 WeakPolarHBondContact O-CB 3.43Å; S94-S98 PolarHBondContact O-N 2.76Å; S94-S98 PolarHBondContact O-OG 2.74Å; S94-N293 WeakPolarHBondContact CA-ND2 3.35Å; S94-N293 VanDerWaalsContact CB-ND2 3.34Å; S94-N293 WeakPolarHBondContact CB-ND2 3.28Å; S94-N293 PolarHBondContact O-ND2 2.85Å
95L92.9Very high90.8Very high27 Ų2717 Ų1714%0.1419%0.086CC..Hα-helixtrans-68.8-41.7179-71.5171.4000111.6L91 L92 N93 S98 E99 I294 F574 L576L91-L95 HydrophobicContact CG-CD1 4.36Å; L91-L95 VanDerWaalsContact O-CG 3.25Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 3.46Å; L92-L95 PolarHBondContact O-N 3.25Å; N93-L95 VanDerWaalsContact C-N 3.31Å; N93-L95 PolarHBondContact O-N 3.44Å; L95-S98 PolarHBondContact O-N 3.35Å; L95-E99 PolarHBondContact O-N 3.47Å; L95-I294 HydrophobicContact CD2-CD1 3.63Å; L95-I294 HydrophobicContact CD2-CG1 3.85Å; L95-F574 HydrophobicContact CD2-CZ 4.2Å; L95-L576 HydrophobicContact CB-CD1 3.48Å; L95-L576 VanDerWaalsContact CB-CD1 3.48Å; L95-L576 HydrophobicContact CG-CD1 4.5Å
96N92.4Very high89.8Confident0 Ų016 Ų160%08%0.078CC..Hα-helixtrans-60-46.8173.4-70.9-68.9000111L92 N93 S98 E99 I438 L576 P583 T586L92-N96 PolarHBondContact O-N 2.75Å; L92-N96 PolarHBondContact O-ND2 2.82Å; N93-N96 PolarHBondContact O-N 3.14Å; N96-S98 VanDerWaalsContact C-N 3.33Å; N96-S98 PolarHBondContact O-N 2.99Å; N96-E99 PolarHBondContact O-N 2.82Å; N96-I438 HydrophobicContact CB-CG1 4.25Å; N96-I438 WeakPolarHBondContact O-CD1 3.29Å; N96-L576 WeakPolarHBondContact OD1-CD2 3.3Å; N96-P583 WeakPolarHBondContact OD1-CG 3.06Å; N96-T586 PolarHBondContact ND2-OG1 3.24Å
97Y89.3Confident88.4Confident2 Ų218 Ų181%0.0089%0.094CC..Hα-helixtrans-60.8-40176.3-99.7-102.1000113.4N93 S94 E99 L100 A101 S110 Y113 F272 D273 Y431 T434N93-Y97 PolarHBondContact O-N 2.83Å; S94-Y97 PolarHBondContact O-N 3.14Å; Y97-E99 VanDerWaalsContact C-N 3.28Å; Y97-E99 PolarHBondContact O-N 3.38Å; Y97-L100 PolarHBondContact O-N 3.05Å; Y97-L100 VanDerWaalsContact O-N 3.17Å; Y97-A101 WeakPolarHBondContact O-CB 3.48Å; Y97-A101 PolarHBondContact O-N 3.32Å; Y97-S110 WeakPolarHBondContact CE1-OG 3.46Å; Y97-S110 PolarHBondContact OH-OG 3.02Å; Y97-Y113 HydrophobicContact CD1-CE2 4.5Å; Y97-F272 HydrophobicContact CD1-CE2 4.26Å; Y97-F272 AromaticContact CD2-CE2 3.92Å; Y97-F272 HydrophobicContact CD2-CE2 3.92Å; Y97-F272 AromaticContact CD2-CZ 3.98Å; Y97-F272 HydrophobicContact CD2-CZ 3.98Å; Y97-F272 HydrophobicContact CE2-CE2 4.49Å; Y97-F272 HydrophobicContact CE2-CZ 4.3Å; Y97-F272 AromaticContact CG-CE2 3.76Å; Y97-F272 HydrophobicContact CG-CE2 3.76Å; Y97-F272 HydrophobicContact CG-CZ 4.3Å; Y97-D273 HydrophobicContact CD1-CB 3.92Å; Y97-D273 HydrophobicContact CE1-CB 3.52Å; Y97-Y431 HydrophobicContact CD2-CD1 4.32Å; Y97-Y431 AromaticContact CE2-CD1 3.22Å; Y97-Y431 HydrophobicContact CE2-CD1 3.22Å; Y97-Y431 AromaticContact CE2-CE1 3.56Å; Y97-Y431 HydrophobicContact CE2-CE1 3.56Å; Y97-Y431 AromaticContact CE2-CG 3.99Å; Y97-Y431 HydrophobicContact CE2-CG 3.99Å; Y97-Y431 AromaticContact CZ-CD1 3.52Å; Y97-Y431 AromaticContact CZ-CE1 3.52Å; Y97-Y431 WeakPolarHBondContact OH-CD1 3.34Å; Y97-Y431 WeakPolarHBondContact OH-CE1 3.31Å; Y97-T434 HydrophobicContact CD2-CG2 4.05Å; Y97-T434 WeakPolarHBondContact CD2-OG1 3.5Å; Y97-T434 HydrophobicContact CE1-CG2 4.22Å; Y97-T434 HydrophobicContact CE2-CG2 3.41Å; Y97-T434 VanDerWaalsContact CE2-CG2 3.41Å; Y97-T434 WeakPolarHBondContact CE2-OG1 3.5Å
98S90Very high87Confident2 Ų217.3 Ų17.31%0.0149%0.091CC..Hα-helixtrans-62.1-37.1-175.4-610000111.9S94 L95 N96 C102 N293S94-S98 WeakPolarHBondContact O-CB 3.43Å; S94-S98 PolarHBondContact O-N 2.76Å; S94-S98 PolarHBondContact O-OG 2.74Å; L95-S98 PolarHBondContact O-N 3.35Å; N96-S98 VanDerWaalsContact C-N 3.33Å; N96-S98 PolarHBondContact O-N 2.99Å; S98-C102 WeakPolarHBondContact O-CB 2.92Å; S98-C102 PolarHBondContact O-N 3.49Å; S98-C102 VanDerWaalsContact O-N 3.08Å; S98-C102 PolarHBondContact O-SG 2.91Å; S98-N293 PolarHBondContact OG-ND2 3.24Å; S98-N293 VanDerWaalsContact OG-ND2 3.12Å
99E90.4Very high86.2Confident0 Ų011.7 Ų11.70%07%0.066CC..Hα-helixtrans-68.1-44.4174.6174169.7179.600112L95 N96 Y97 C102 R103 I438 R442 F574 L576L95-E99 PolarHBondContact O-N 3.47Å; N96-E99 PolarHBondContact O-N 2.82Å; Y97-E99 VanDerWaalsContact C-N 3.28Å; Y97-E99 PolarHBondContact O-N 3.38Å; E99-C102 PolarHBondContact O-N 3.16Å; E99-R103 HydrophobicContact CG-CG 4.42Å; E99-R103 WeakPolarHBondContact O-CG 3.49Å; E99-R103 PolarHBondContact O-N 2.82Å; E99-R103 IonicContact OE1-CZ 3.19Å; E99-R103 IonicContact OE1-NE 2.85Å; E99-R103 PolarHBondContact OE1-NE 2.72Å; E99-R103 IonicContact OE1-NH2 2.72Å; E99-R103 PolarHBondContact OE1-NH2 2.85Å; E99-I438 HydrophobicContact CB-CD1 3.75Å; E99-I438 HydrophobicContact CG-CD1 3.74Å; E99-R442 IonicContact OE1-CZ 3.18Å; E99-R442 IonicContact OE1-NE 2.74Å; E99-R442 PolarHBondContact OE1-NE 2.98Å; E99-R442 IonicContact OE1-NH2 2.99Å; E99-R442 PolarHBondContact OE1-NH2 2.9Å; E99-R442 IonicContact OE2-CZ 3.57Å; E99-R442 IonicContact OE2-NE 3.49Å; E99-R442 PolarHBondContact OE2-NE 3.32Å; E99-R442 IonicContact OE2-NH2 2.76Å; E99-R442 PolarHBondContact OE2-NH2 2.75Å; E99-F574 HydrophobicContact CB-CD1 4.11Å; E99-F574 HydrophobicContact CB-CE1 4.32Å; E99-L576 WeakPolarHBondContact OE2-CB 3.36Å; E99-L576 PolarHBondContact OE2-N 3.47Å
100L89.4Confident85.6Confident0 Ų011.2 Ų11.20%06%0.063CC..Hα-helixtrans-62-45.6177.5-65.2-179.7000111.6Y97 C102 R103 I104 Y113 I117 T434 A437 I438 I441Y97-L100 PolarHBondContact O-N 3.05Å; Y97-L100 VanDerWaalsContact O-N 3.17Å; L100-C102 VanDerWaalsContact C-N 3.27Å; L100-C102 PolarHBondContact O-N 2.66Å; L100-R103 PolarHBondContact O-N 2.79Å; L100-R103 VanDerWaalsContact O-N 3.14Å; L100-I104 PolarHBondContact O-N 3.09Å; L100-Y113 HydrophobicContact CB-CD2 3.6Å; L100-Y113 HydrophobicContact CB-CE2 4.04Å; L100-Y113 HydrophobicContact CB-CG 3.94Å; L100-Y113 HydrophobicContact CD1-CD2 4.05Å; L100-Y113 HydrophobicContact CD1-CG 4.43Å; L100-Y113 HydrophobicContact CG-CD2 4.46Å; L100-I117 HydrophobicContact CD2-CD1 3.56Å; L100-T434 HydrophobicContact CD1-CG2 4.09Å; L100-A437 HydrophobicContact CD1-CB 4.2Å; L100-I438 HydrophobicContact CD1-CG1 4.31Å; L100-I438 HydrophobicContact CD2-CD1 3.54Å; L100-I438 HydrophobicContact CD2-CG1 4.05Å; L100-I438 HydrophobicContact CG-CD1 3.61Å; L100-I438 HydrophobicContact CG-CG1 3.94Å; L100-I441 HydrophobicContact CD2-CG2 4.46Å
101A87.1Confident85.1Confident2 Ų211.3 Ų11.32%0.0176%0.064CC..Hα-helixtrans-63.9-32.5179.200000112.7Y97 I104 P105 Y113 L289Y97-A101 WeakPolarHBondContact O-CB 3.48Å; Y97-A101 PolarHBondContact O-N 3.32Å; A101-I104 CarbonylContact O-C 3.48Å; A101-P105 WeakPolarHBondContact O-CA 3.4Å; A101-Y113 WeakPolarHBondContact CA-OH 3.42Å; A101-Y113 HydrophobicContact CB-CE2 4.4Å; A101-Y113 WeakPolarHBondContact CB-OH 3.31Å; A101-L289 HydrophobicContact CB-CD1 4.06Å
102C86.7Confident84.5Confident1 Ų19.2 Ų9.21%0.0075%0.053CC..Hα-helixtrans-72.7-41.8172.5-68.90000111.9S98 E99 L100 P290 Y570 L573 F574S98-C102 WeakPolarHBondContact O-CB 2.92Å; S98-C102 PolarHBondContact O-N 3.49Å; S98-C102 VanDerWaalsContact O-N 3.08Å; S98-C102 PolarHBondContact O-SG 2.91Å; E99-C102 PolarHBondContact O-N 3.16Å; L100-C102 VanDerWaalsContact C-N 3.27Å; L100-C102 PolarHBondContact O-N 2.66Å; C102-P290 VanDerWaalsContact SG-CG 3.55Å; C102-Y570 PolarHBondContact O-OH 2.98Å; C102-L573 HydrophobicContact CB-CD1 3.98Å; C102-L573 HydrophobicContact CB-CD2 4.27Å; C102-L573 HydrophobicContact CB-CG 3.94Å; C102-L573 WeakPolarHBondContact O-CD1 3.07Å; C102-F574 HydrophobicContact CB-CB 4.45Å
103R83.9Confident84Confident19 Ų198.3 Ų8.37%0.0725%0.048CC..Hα-helixtrans-66.9-39.5-179.6-75.6-178.2-177.9-109.72.9111.9E99 L100 P105 I441 L573E99-R103 HydrophobicContact CG-CG 4.42Å; E99-R103 WeakPolarHBondContact O-CG 3.49Å; E99-R103 PolarHBondContact O-N 2.82Å; E99-R103 IonicContact OE1-CZ 3.19Å; E99-R103 IonicContact OE1-NE 2.85Å; E99-R103 PolarHBondContact OE1-NE 2.72Å; E99-R103 IonicContact OE1-NH2 2.72Å; E99-R103 PolarHBondContact OE1-NH2 2.85Å; L100-R103 PolarHBondContact O-N 2.79Å; L100-R103 VanDerWaalsContact O-N 3.14Å; R103-P105 WeakPolarHBondContact O-CD 3.28Å; R103-I441 VanDerWaalsContact CD-CD1 3.47Å; R103-L573 HydrophobicContact CB-CD2 4.1Å; R103-L573 HydrophobicContact CG-CD2 3.2Å
104I81Confident83.7Confident5 Ų58.3 Ų8.33%0.0265%0.048CC..  trans-125.177.8-174.5-50.9166000107.5I29 L100 A101 K106 T112 Y113 F116 I117I29-I104 HydrophobicContact CD1-CG2 3.72Å; L100-I104 PolarHBondContact O-N 3.09Å; A101-I104 CarbonylContact O-C 3.48Å; I104-K106 HydrophobicContact CG2-CB 4.33Å; I104-K106 PolarHBondContact O-N 3.13Å; I104-T112 HydrophobicContact CG2-CG2 4.23Å; I104-Y113 HydrophobicContact CB-CD1 3.74Å; I104-Y113 HydrophobicContact CB-CE1 3.94Å; I104-Y113 HydrophobicContact CD1-CD1 3.96Å; I104-Y113 HydrophobicContact CD1-CG 4.46Å; I104-Y113 HydrophobicContact CG1-CD1 4.44Å; I104-Y113 HydrophobicContact CG2-CD1 3.95Å; I104-Y113 HydrophobicContact CG2-CE1 4.17Å; I104-Y113 WeakPolarHBondContact O-CE1 3.4Å; I104-F116 HydrophobicContact CD1-CB 3.94Å; I104-F116 HydrophobicContact CD1-CD1 3.52Å; I104-F116 HydrophobicContact CD1-CE1 4.34Å; I104-F116 HydrophobicContact CD1-CG 3.97Å; I104-F116 HydrophobicContact CG1-CD1 4.16Å; I104-I117 HydrophobicContact CD1-CD1 4.37Å
105P77Confident83.4Confident1 Ų19 Ų91%0.0065%0.051CC..  trans-78.755-179.334.8-37.1000110.6M33 I36 L37 A101 R103 A279 E280 P285M33-P105 HydrophobicContact CE-CG 4.15Å; I36-P105 HydrophobicContact CG2-CG 4.02Å; L37-P105 HydrophobicContact CD2-CB 4.29Å; L37-P105 HydrophobicContact CD2-CG 3.7Å; A101-P105 WeakPolarHBondContact O-CA 3.4Å; R103-P105 WeakPolarHBondContact O-CD 3.28Å; P105-A279 HydrophobicContact CB-CB 4.21Å; P105-E280 VanDerWaalsContact O-CG 3.31Å; P105-E280 WeakPolarHBondContact O-CG 3.31Å; P105-P285 HydrophobicContact CB-CB 4.31Å; P105-P285 HydrophobicContact CB-CG 4.35Å
106K73.5Confident83Confident59 Ų599.8 Ų9.826%0.2575%0.053SC..  trans-112.9151173.4-79.7-164173.4-173.40110.7I36 I104 T112 E280I36-K106 HydrophobicContact CG2-CG 4.31Å; I104-K106 HydrophobicContact CG2-CB 4.33Å; I104-K106 PolarHBondContact O-N 3.13Å; K106-T112 HydrophobicContact CB-CG2 4.15Å; K106-E280 VanDerWaalsContact CA-OE1 3.23Å; K106-E280 WeakPolarHBondContact CA-OE1 3.24Å
107A65.5Low82.6Confident42 Ų4210.1 Ų10.135%0.3476%0.055SC..SBendtrans-65.9146.6173.700000110.6M41 T112 E280M41-A107 HydrophobicContact CE-CB 4.43Å; A107-T112 PolarHBondContact O-OG1 3.07Å; A107-T112 VanDerWaalsContact O-OG1 3.06Å; A107-E280 HydrophobicContact CB-CG 4.44Å; A107-E280 PolarHBondContact N-OE1 3.33Å
108G67.6Low82.4Confident8 Ų812.4 Ų12.48%0.0827%0.066CC..SBendtrans120.4-0.5-179.900000115.3S110 Y111 T112G108-S110 PolarHBondContact O-N 2.99Å; G108-Y111 WeakPolarHBondContact O-CB 3.18Å; G108-Y111 PolarHBondContact O-N 3.44Å; G108-T112 WeakPolarHBondContact CA-OG1 3.4Å
109S78.6Confident82.3Confident0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans51.2-138.3176.3-173.30000110.6Y111 T112 Y113 D273 S276S109-Y111 VanDerWaalsContact C-N 3.27Å; S109-Y111 PolarHBondContact O-N 3.06Å; S109-T112 PolarHBondContact O-N 3.33Å; S109-Y113 VanDerWaalsContact C-CE2 3.5Å; S109-Y113 WeakPolarHBondContact O-CD1 3.17Å; S109-Y113 WeakPolarHBondContact O-CD2 3.31Å; S109-Y113 WeakPolarHBondContact O-CE1 3.19Å; S109-Y113 WeakPolarHBondContact O-CE2 3.31Å; S109-Y113 VanDerWaalsContact O-CG 3.26Å; S109-Y113 PolarHBondContact O-N 3.35Å; S109-D273 PolarHBondContact OG-OD2 2.89Å; S109-S276 PolarHBondContact OG-OG 2.98Å
110S82.4Confident82.2Confident0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-65.5-24.5-175.4-44.10000115Y97 G108 T112 Y113 T114 T434Y97-S110 WeakPolarHBondContact CE1-OG 3.46Å; Y97-S110 PolarHBondContact OH-OG 3.02Å; G108-S110 PolarHBondContact O-N 2.99Å; S110-T112 VanDerWaalsContact C-N 3.33Å; S110-T112 PolarHBondContact O-N 3.48Å; S110-Y113 PolarHBondContact O-N 3.32Å; S110-T114 VanDerWaalsContact O-CB 3.26Å; S110-T114 WeakPolarHBondContact O-CB 3.37Å; S110-T114 PolarHBondContact O-N 3.3Å; S110-T114 PolarHBondContact O-OG1 3.42Å; S110-T434 VanDerWaalsContact OG-CG2 3.26Å; S110-T434 WeakPolarHBondContact OG-CG2 3.17Å
111Y84.7Confident82.3Confident1 Ų114.7 Ų14.70%0.0048%0.076CC..Hα-helixtrans-56-52.7174.3162-106.6000110.1G108 S109 Y113 T114 Y115 A123 M376 D379 L381G108-Y111 WeakPolarHBondContact O-CB 3.18Å; G108-Y111 PolarHBondContact O-N 3.44Å; S109-Y111 VanDerWaalsContact C-N 3.27Å; S109-Y111 PolarHBondContact O-N 3.06Å; Y111-Y113 VanDerWaalsContact C-N 3.35Å; Y111-Y113 PolarHBondContact O-N 2.86Å; Y111-T114 PolarHBondContact O-N 3.04Å; Y111-Y115 HydrophobicContact CE1-CD1 4.45Å; Y111-Y115 HydrophobicContact CE2-CD1 4.07Å; Y111-Y115 AromaticContact CZ-CD1 3.72Å; Y111-Y115 WeakPolarHBondContact O-CB 3.06Å; Y111-Y115 PolarHBondContact O-N 2.87Å; Y111-Y115 VanDerWaalsContact OH-CD1 3.3Å; Y111-Y115 WeakPolarHBondContact OH-CD1 3.38Å; Y111-Y115 WeakPolarHBondContact OH-CE1 3.1Å; Y111-A123 HydrophobicContact CD2-CB 4.14Å; Y111-A123 WeakPolarHBondContact CD2-O 3.2Å; Y111-A123 HydrophobicContact CE2-CB 4.09Å; Y111-M376 HydrophobicContact CD1-CG 4.35Å; Y111-M376 HydrophobicContact CD2-CG 4.09Å; Y111-M376 HydrophobicContact CE1-CG 4.21Å; Y111-M376 HydrophobicContact CE2-CG 3.95Å; Y111-M376 HydrophobicContact CG-CG 4.29Å; Y111-D379 VanDerWaalsContact CE1-OD2 3.29Å; Y111-D379 WeakPolarHBondContact CE1-OD2 3.44Å; Y111-D379 WeakPolarHBondContact OH-CB 3.36Å; Y111-D379 VanDerWaalsContact OH-CG 3.26Å; Y111-D379 PolarHBondContact OH-OD2 2.86Å; Y111-L381 HydrophobicContact CE2-CD1 3.46Å; Y111-L381 VanDerWaalsContact CE2-CD1 3.46Å; Y111-L381 WeakPolarHBondContact OH-CD1 3.46Å
112T81.8Confident82.4Confident5 Ų515.5 Ų15.53%0.0318%0.081CC..Hα-helixtrans-66.5-38-179.7-54.10000111.8I104 K106 A107 G108 S109 S110 Y115 F116I104-T112 HydrophobicContact CG2-CG2 4.23Å; K106-T112 HydrophobicContact CB-CG2 4.15Å; A107-T112 PolarHBondContact O-OG1 3.07Å; A107-T112 VanDerWaalsContact O-OG1 3.06Å; G108-T112 WeakPolarHBondContact CA-OG1 3.4Å; S109-T112 PolarHBondContact O-N 3.33Å; S110-T112 VanDerWaalsContact C-N 3.33Å; S110-T112 PolarHBondContact O-N 3.48Å; T112-Y115 PolarHBondContact O-N 3.47Å; T112-F116 WeakPolarHBondContact O-CB 3.43Å; T112-F116 PolarHBondContact O-N 3.08Å
113Y84.2Confident82.5Confident0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-65.7-46.9178.9-50.9-24.3000111.3Y97 L100 A101 I104 S109 S110 Y111 Y115 F116 I117 S276Y97-Y113 HydrophobicContact CD1-CE2 4.5Å; L100-Y113 HydrophobicContact CB-CD2 3.6Å; L100-Y113 HydrophobicContact CB-CE2 4.04Å; L100-Y113 HydrophobicContact CB-CG 3.94Å; L100-Y113 HydrophobicContact CD1-CD2 4.05Å; L100-Y113 HydrophobicContact CD1-CG 4.43Å; L100-Y113 HydrophobicContact CG-CD2 4.46Å; A101-Y113 WeakPolarHBondContact CA-OH 3.42Å; A101-Y113 HydrophobicContact CB-CE2 4.4Å; A101-Y113 WeakPolarHBondContact CB-OH 3.31Å; I104-Y113 HydrophobicContact CB-CD1 3.74Å; I104-Y113 HydrophobicContact CB-CE1 3.94Å; I104-Y113 HydrophobicContact CD1-CD1 3.96Å; I104-Y113 HydrophobicContact CD1-CG 4.46Å; I104-Y113 HydrophobicContact CG1-CD1 4.44Å; I104-Y113 HydrophobicContact CG2-CD1 3.95Å; I104-Y113 HydrophobicContact CG2-CE1 4.17Å; I104-Y113 WeakPolarHBondContact O-CE1 3.4Å; S109-Y113 VanDerWaalsContact C-CE2 3.5Å; S109-Y113 WeakPolarHBondContact O-CD1 3.17Å; S109-Y113 WeakPolarHBondContact O-CD2 3.31Å; S109-Y113 WeakPolarHBondContact O-CE1 3.19Å; S109-Y113 WeakPolarHBondContact O-CE2 3.31Å; S109-Y113 VanDerWaalsContact O-CG 3.26Å; S109-Y113 PolarHBondContact O-N 3.35Å; S110-Y113 PolarHBondContact O-N 3.32Å; Y111-Y113 VanDerWaalsContact C-N 3.35Å; Y111-Y113 PolarHBondContact O-N 2.86Å; Y113-Y115 VanDerWaalsContact C-N 3.34Å; Y113-Y115 PolarHBondContact O-N 3.17Å; Y113-F116 PolarHBondContact O-N 3.4Å; Y113-I117 WeakPolarHBondContact O-CB 3.47Å; Y113-I117 WeakPolarHBondContact O-CD1 3.19Å; Y113-I117 VanDerWaalsContact O-CG1 3.25Å; Y113-I117 WeakPolarHBondContact O-CG1 3.2Å; Y113-I117 PolarHBondContact O-N 2.8Å; Y113-S276 WeakPolarHBondContact OH-CB 3.49Å
114T87Confident82.8Confident0 Ų014.7 Ų14.70%08%0.078CC..Hα-helixtrans-65.9-37.6178.1-57.70000111.1S110 Y111 F116 I117 M118 G119 P122 A123 T126 I433S110-T114 VanDerWaalsContact O-CB 3.26Å; S110-T114 WeakPolarHBondContact O-CB 3.37Å; S110-T114 PolarHBondContact O-N 3.3Å; S110-T114 PolarHBondContact O-OG1 3.42Å; Y111-T114 PolarHBondContact O-N 3.04Å; T114-F116 VanDerWaalsContact C-N 3.34Å; T114-F116 PolarHBondContact O-N 2.95Å; T114-I117 PolarHBondContact O-N 3.45Å; T114-M118 HydrophobicContact CG2-CB 4Å; T114-M118 HydrophobicContact CG2-CG 4.3Å; T114-M118 HydrophobicContact CG2-SD 4.03Å; T114-M118 WeakPolarHBondContact O-CA 3.27Å; T114-M118 WeakPolarHBondContact O-CB 3.3Å; T114-M118 PolarHBondContact O-N 3.06Å; T114-G119 PolarHBondContact O-N 2.78Å; T114-P122 VanDerWaalsContact CG2-C 3.45Å; T114-P122 HydrophobicContact CG2-CB 3.66Å; T114-A123 HydrophobicContact CG2-CB 4.28Å; T114-T126 PolarHBondContact OG1-OG1 3.33Å; T114-I433 HydrophobicContact CG2-CG2 3.88Å
115Y86.5Confident83.3Confident14 Ų1416.4 Ų16.46%0.0559%0.087CC..Hα-helixtrans-63.8-42177.4-155162.9000111.6R25 K27 Y111 T112 Y113 G119 E120 A123 D379 L381R25-Y115 VanDerWaalsContact O-CE2 3.31Å; R25-Y115 WeakPolarHBondContact O-CE2 3.48Å; K27-Y115 HydrophobicContact CB-CD1 4.3Å; K27-Y115 HydrophobicContact CB-CD2 3.94Å; K27-Y115 HydrophobicContact CB-CE2 4.21Å; K27-Y115 HydrophobicContact CB-CG 3.97Å; K27-Y115 HydrophobicContact CD-CD1 4.21Å; Y111-Y115 HydrophobicContact CE1-CD1 4.45Å; Y111-Y115 HydrophobicContact CE2-CD1 4.07Å; Y111-Y115 AromaticContact CZ-CD1 3.72Å; Y111-Y115 WeakPolarHBondContact O-CB 3.06Å; Y111-Y115 PolarHBondContact O-N 2.87Å; Y111-Y115 VanDerWaalsContact OH-CD1 3.3Å; Y111-Y115 WeakPolarHBondContact OH-CD1 3.38Å; Y111-Y115 WeakPolarHBondContact OH-CE1 3.1Å; T112-Y115 PolarHBondContact O-N 3.47Å; Y113-Y115 VanDerWaalsContact C-N 3.34Å; Y113-Y115 PolarHBondContact O-N 3.17Å; Y115-G119 WeakPolarHBondContact O-CA 3.26Å; Y115-G119 PolarHBondContact O-N 2.95Å; Y115-E120 HydrophobicContact CD2-CB 4.44Å; Y115-E120 HydrophobicContact CE2-CB 3.77Å; Y115-E120 HydrophobicContact CE2-CG 4.11Å; Y115-A123 VanDerWaalsContact CA-CB 3.42Å; Y115-A123 VanDerWaalsContact CB-CB 3.47Å; Y115-A123 HydrophobicContact CD1-CB 4.32Å; Y115-A123 HydrophobicContact CD2-CB 4.37Å; Y115-A123 HydrophobicContact CG-CB 3.83Å; Y115-D379 HydrophobicContact CE1-CB 4.11Å; Y115-L381 HydrophobicContact CE1-CD1 4.43Å
116F82.9Confident83.9Confident45 Ų4516.3 Ų16.320%0.1979%0.087CC..Hα-helixtrans-66.2-40.5176.7-178.6-105.3000112.6K27 I29 I104 T112 Y113 T114 Q446K27-F116 WeakPolarHBondContact O-CD2 3.38Å; I29-F116 HydrophobicContact CB-CD2 4.03Å; I29-F116 HydrophobicContact CB-CE2 3.86Å; I29-F116 HydrophobicContact CD1-CB 3.97Å; I29-F116 HydrophobicContact CD1-CD2 3.34Å; I29-F116 HydrophobicContact CD1-CE2 3.94Å; I29-F116 HydrophobicContact CD1-CG 3.73Å; I29-F116 HydrophobicContact CG1-CD2 3.58Å; I29-F116 HydrophobicContact CG1-CE2 3.97Å; I29-F116 HydrophobicContact CG1-CG 4.44Å; I104-F116 HydrophobicContact CD1-CB 3.94Å; I104-F116 HydrophobicContact CD1-CD1 3.52Å; I104-F116 HydrophobicContact CD1-CE1 4.34Å; I104-F116 HydrophobicContact CD1-CG 3.97Å; I104-F116 HydrophobicContact CG1-CD1 4.16Å; T112-F116 WeakPolarHBondContact O-CB 3.43Å; T112-F116 PolarHBondContact O-N 3.08Å; Y113-F116 PolarHBondContact O-N 3.4Å; T114-F116 VanDerWaalsContact C-N 3.34Å; T114-F116 PolarHBondContact O-N 2.95Å; F116-Q446 HydrophobicContact CE1-CB 4.37Å; F116-Q446 HydrophobicContact CE1-CG 4.47Å; F116-Q446 HydrophobicContact CZ-CB 4.46Å
117I85.3Confident84.6Confident6 Ų613.5 Ų13.53%0.0317%0.074CC..Hα-helixtrans-91.2-45.4-169.1-62.4168.2000112.5L100 I104 Y113 T114 A437 C440 I441L100-I117 HydrophobicContact CD2-CD1 3.56Å; I104-I117 HydrophobicContact CD1-CD1 4.37Å; Y113-I117 WeakPolarHBondContact O-CB 3.47Å; Y113-I117 WeakPolarHBondContact O-CD1 3.19Å; Y113-I117 VanDerWaalsContact O-CG1 3.25Å; Y113-I117 WeakPolarHBondContact O-CG1 3.2Å; Y113-I117 PolarHBondContact O-N 2.8Å; T114-I117 PolarHBondContact O-N 3.45Å; I117-A437 HydrophobicContact CD1-CB 3.87Å; I117-A437 HydrophobicContact CG2-CB 4.29Å; I117-C440 HydrophobicContact CG2-CB 3.61Å; I117-I441 HydrophobicContact CD1-CB 4.24Å; I117-I441 HydrophobicContact CD1-CD1 3.96Å; I117-I441 HydrophobicContact CG1-CD1 4.17Å
118M85.3Confident85.8Confident50 Ų5011.9 Ų11.925%0.2466%0.059CC..Hα-helixtrans-111.1-16.7-168.6-58.6-178.271.300113.2T114 P122 I433 I436 A437T114-M118 HydrophobicContact CG2-CB 4Å; T114-M118 HydrophobicContact CG2-CG 4.3Å; T114-M118 HydrophobicContact CG2-SD 4.03Å; T114-M118 WeakPolarHBondContact O-CA 3.27Å; T114-M118 WeakPolarHBondContact O-CB 3.3Å; T114-M118 PolarHBondContact O-N 3.06Å; M118-P122 HydrophobicContact CB-CB 3.99Å; M118-P122 HydrophobicContact CB-CG 4.06Å; M118-P122 HydrophobicContact CE-CB 4.4Å; M118-I433 HydrophobicContact SD-CG2 4.05Å; M118-I436 HydrophobicContact CE-CG2 3.67Å; M118-I436 HydrophobicContact SD-CG2 4.03Å; M118-A437 HydrophobicContact SD-CB 4.42Å
119G86.9Confident86.9Confident0 Ų011.5 Ų11.50%06%0.055CC..  trans98.1-176179.600000114.1R25 T114 Y115 A123R25-G119 CarbonylContact O-C 3.54Å; R25-G119 WeakPolarHBondContact O-CA 3.49Å; T114-G119 PolarHBondContact O-N 2.78Å; Y115-G119 WeakPolarHBondContact O-CA 3.26Å; Y115-G119 PolarHBondContact O-N 2.95Å; G119-A123 VanDerWaalsContact O-CB 3.24Å; G119-A123 WeakPolarHBondContact O-CB 3.4Å; G119-A123 PolarHBondContact O-N 3.45Å
120E89.4Confident87.4Confident0 Ų011.6 Ų11.60%06%0.056CC..Hα-helixtrans-60.5-50.3-166.7-167.1176.1142.600114.6G22 R25 Y115 A123 F124 L381 Y616 T624G22-E120 WeakPolarHBondContact O-CB 3.37Å; R25-E120 IonicContact CZ-OE2 3.87Å; R25-E120 IonicContact NE-OE2 2.78Å; R25-E120 PolarHBondContact NE-OE2 3.12Å; R25-E120 IonicContact NH2-OE1 3.5Å; R25-E120 IonicContact NH2-OE2 2.75Å; R25-E120 PolarHBondContact NH2-OE2 3.07Å; R25-E120 PolarHBondContact O-N 3.37Å; Y115-E120 HydrophobicContact CD2-CB 4.44Å; Y115-E120 HydrophobicContact CE2-CB 3.77Å; Y115-E120 HydrophobicContact CE2-CG 4.11Å; E120-A123 CarbonylContact O-C 3.17Å; E120-A123 WeakPolarHBondContact O-CB 3.47Å; E120-A123 PolarHBondContact O-N 3.33Å; E120-F124 PolarHBondContact O-N 3.05Å; E120-L381 HydrophobicContact CG-CD2 3.6Å; E120-L381 WeakPolarHBondContact OE1-CD2 3.25Å; E120-Y616 HydrophobicContact CG-CE2 4.06Å; E120-Y616 PolarHBondContact OE1-OH 3.31Å; E120-T624 WeakPolarHBondContact OE1-CB 3.09Å; E120-T624 WeakPolarHBondContact OE1-CG2 3.26Å; E120-T624 PolarHBondContact OE1-OG1 3.42Å; E120-T624 PolarHBondContact OE2-OG1 2.88Å
121F90.1Very high87.8Confident50 Ų5011.6 Ų11.622%0.2196%0.056CC..Hα-helixtrans-67.7-49.6-172.8174.6-106.6000113.6L23 A123 F124 I125 L613 Y616 F617L23-F121 HydrophobicContact CD2-CB 3.82Å; L23-F121 HydrophobicContact CD2-CD1 4.39Å; L23-F121 HydrophobicContact CD2-CD2 4.06Å; L23-F121 HydrophobicContact CD2-CG 3.84Å; L23-F121 VanDerWaalsContact O-CB 3.23Å; L23-F121 WeakPolarHBondContact O-CB 3.45Å; L23-F121 PolarHBondContact O-N 3.41Å; F121-A123 PolarHBondContact O-N 3.15Å; F121-F124 PolarHBondContact O-N 3.26Å; F121-I125 HydrophobicContact CD1-CD1 4.21Å; F121-I125 HydrophobicContact CE1-CD1 3.62Å; F121-I125 HydrophobicContact CE2-CD1 4.08Å; F121-I125 HydrophobicContact CE2-CG1 4.45Å; F121-I125 HydrophobicContact CZ-CD1 3.58Å; F121-I125 HydrophobicContact CZ-CG1 4.42Å; F121-I125 PolarHBondContact O-N 2.93Å; F121-I125 VanDerWaalsContact O-N 3.1Å; F121-L613 HydrophobicContact CE2-CD2 3.64Å; F121-L613 HydrophobicContact CZ-CD2 4.06Å; F121-Y616 HydrophobicContact CB-CE1 4.33Å; F121-Y616 AromaticContact CD2-CD1 3.92Å; F121-Y616 HydrophobicContact CD2-CD1 3.92Å; F121-Y616 AromaticContact CD2-CE1 3.5Å; F121-Y616 HydrophobicContact CD2-CE1 3.5Å; F121-Y616 HydrophobicContact CE2-CD1 4.33Å; F121-Y616 HydrophobicContact CE2-CE1 4.28Å; F121-Y616 HydrophobicContact CG-CE1 4.39Å; F121-F617 HydrophobicContact CD2-CZ 4.46Å; F121-F617 HydrophobicContact CE2-CE2 4.09Å; F121-F617 HydrophobicContact CE2-CZ 4.02Å
122P89.3Confident88.1Confident20 Ų2011.7 Ų11.713%0.136%0.056CC..Hα-helixtrans-59.6-33.8172.1-23.235000112.1T114 M118 T126T114-P122 VanDerWaalsContact CG2-C 3.45Å; T114-P122 HydrophobicContact CG2-CB 3.66Å; M118-P122 HydrophobicContact CB-CB 3.99Å; M118-P122 HydrophobicContact CB-CG 4.06Å; M118-P122 HydrophobicContact CE-CB 4.4Å; P122-T126 WeakPolarHBondContact O-CB 3.37Å; P122-T126 PolarHBondContact O-N 3.24Å; P122-T126 PolarHBondContact O-OG1 3.49Å
123A89.1Confident88.5Confident0 Ų011.7 Ų11.70%06%0.056CC..Hα-helixtrans-65.9-45.9176.200000111.9Y111 T114 Y115 G119 E120 F121 I125 T126 G127Y111-A123 HydrophobicContact CD2-CB 4.14Å; Y111-A123 WeakPolarHBondContact CD2-O 3.2Å; Y111-A123 HydrophobicContact CE2-CB 4.09Å; T114-A123 HydrophobicContact CG2-CB 4.28Å; Y115-A123 VanDerWaalsContact CA-CB 3.42Å; Y115-A123 VanDerWaalsContact CB-CB 3.47Å; Y115-A123 HydrophobicContact CD1-CB 4.32Å; Y115-A123 HydrophobicContact CD2-CB 4.37Å; Y115-A123 HydrophobicContact CG-CB 3.83Å; G119-A123 VanDerWaalsContact O-CB 3.24Å; G119-A123 WeakPolarHBondContact O-CB 3.4Å; G119-A123 PolarHBondContact O-N 3.45Å; E120-A123 CarbonylContact O-C 3.17Å; E120-A123 WeakPolarHBondContact O-CB 3.47Å; E120-A123 PolarHBondContact O-N 3.33Å; F121-A123 PolarHBondContact O-N 3.15Å; A123-I125 PolarHBondContact O-N 3.5Å; A123-T126 CarbonylContact O-C 3.51Å; A123-T126 WeakPolarHBondContact O-CB 3.49Å; A123-T126 PolarHBondContact O-N 3.33Å; A123-T126 VanDerWaalsContact O-N 3.13Å; A123-G127 PolarHBondContact O-N 2.77Å
124F90.8Very high88.8Confident2 Ų212.4 Ų12.41%0.0096%0.059CC..Hα-helixtrans-56.4-49.3175.7176.2-96.4000111.3E120 F121 T126 G127 W128 L381 I382 G612 Y616E120-F124 PolarHBondContact O-N 3.05Å; F121-F124 PolarHBondContact O-N 3.26Å; F124-T126 VanDerWaalsContact C-N 3.28Å; F124-T126 PolarHBondContact O-N 3.27Å; F124-G127 PolarHBondContact O-N 3.06Å; F124-W128 HydrophobicContact CE1-CB 4.28Å; F124-W128 HydrophobicContact CE1-CG 4.38Å; F124-W128 HydrophobicContact CZ-CB 4.27Å; F124-W128 HydrophobicContact CZ-CD2 4.23Å; F124-W128 HydrophobicContact CZ-CE3 4.34Å; F124-W128 HydrophobicContact CZ-CG 4.2Å; F124-W128 WeakPolarHBondContact O-CB 3.4Å; F124-W128 PolarHBondContact O-N 3.2Å; F124-L381 HydrophobicContact CB-CD1 4.35Å; F124-L381 HydrophobicContact CD2-CB 4.02Å; F124-L381 HydrophobicContact CD2-CD1 4.31Å; F124-I382 HydrophobicContact CE2-CG2 4.15Å; F124-G612 VanDerWaalsContact CE1-C 3.48Å; F124-G612 WeakPolarHBondContact CE1-O 3.48Å; F124-G612 WeakPolarHBondContact CZ-O 3.41Å; F124-Y616 HydrophobicContact CB-CD2 3.91Å; F124-Y616 HydrophobicContact CB-CE2 4.09Å; F124-Y616 HydrophobicContact CD1-CD2 4.01Å; F124-Y616 AromaticContact CD1-CG 3.91Å; F124-Y616 HydrophobicContact CD1-CG 3.91Å; F124-Y616 AromaticContact CD2-CD2 3.86Å; F124-Y616 HydrophobicContact CD2-CD2 3.86Å; F124-Y616 HydrophobicContact CD2-CG 4.44Å; F124-Y616 HydrophobicContact CE1-CG 4.27Å; F124-Y616 HydrophobicContact CE2-CD2 4.43Å; F124-Y616 AromaticContact CG-CD2 3.61Å; F124-Y616 HydrophobicContact CG-CD2 3.61Å; F124-Y616 HydrophobicContact CG-CE2 4.3Å; F124-Y616 HydrophobicContact CG-CG 4.01Å
125I90.9Very high89.1Confident41 Ų4112.4 Ų12.421%0.216%0.059CC..Hα-helixtrans-57.5-44.9176.8-66.5174.2000110.6F121 A123 A129 I609F121-I125 HydrophobicContact CD1-CD1 4.21Å; F121-I125 HydrophobicContact CE1-CD1 3.62Å; F121-I125 HydrophobicContact CE2-CD1 4.08Å; F121-I125 HydrophobicContact CE2-CG1 4.45Å; F121-I125 HydrophobicContact CZ-CD1 3.58Å; F121-I125 HydrophobicContact CZ-CG1 4.42Å; F121-I125 PolarHBondContact O-N 2.93Å; F121-I125 VanDerWaalsContact O-N 3.1Å; A123-I125 PolarHBondContact O-N 3.5Å; I125-A129 VanDerWaalsContact O-CB 3.3Å; I125-A129 WeakPolarHBondContact O-CB 3.18Å; I125-A129 PolarHBondContact O-N 2.9Å; I125-I609 HydrophobicContact CG2-CD1 4.39Å
126T89.2Confident89.4Confident0 Ų011.8 Ų11.80%06%0.056CC..Hα-helixtrans-63.4-48.1179.4-53.50000111.5T114 P122 A123 F124 A129 I130 I433T114-T126 PolarHBondContact OG1-OG1 3.33Å; P122-T126 WeakPolarHBondContact O-CB 3.37Å; P122-T126 PolarHBondContact O-N 3.24Å; P122-T126 PolarHBondContact O-OG1 3.49Å; A123-T126 CarbonylContact O-C 3.51Å; A123-T126 WeakPolarHBondContact O-CB 3.49Å; A123-T126 PolarHBondContact O-N 3.33Å; A123-T126 VanDerWaalsContact O-N 3.13Å; F124-T126 VanDerWaalsContact C-N 3.28Å; F124-T126 PolarHBondContact O-N 3.27Å; T126-A129 PolarHBondContact O-N 3.07Å; T126-I130 HydrophobicContact CG2-CD1 4.02Å; T126-I130 VanDerWaalsContact O-CG1 3.31Å; T126-I130 WeakPolarHBondContact O-CG1 3.47Å; T126-I130 PolarHBondContact O-N 3.2Å; T126-I433 WeakPolarHBondContact OG1-CD1 3.49Å
127G89.2Confident89.9Confident0 Ų010.1 Ų10.10%05%0.052CC..Hα-helixtrans-66.4-38.5179.700000112.7A123 F124 I130 L131 M376A123-G127 PolarHBondContact O-N 2.77Å; F124-G127 PolarHBondContact O-N 3.06Å; G127-I130 PolarHBondContact O-N 3.05Å; G127-L131 WeakPolarHBondContact O-CB 3.33Å; G127-L131 PolarHBondContact O-N 3.43Å; G127-M376 VanDerWaalsContact C-SD 3.51Å
128W91.5Very high90.3Very high8 Ų89.9 Ų9.93%0.035%0.051CC..Hα-helixtrans-68.3-34.9176.3-166.2-113.4000112.5F124 L131 L132 I382 W608 I611 G612 L615F124-W128 HydrophobicContact CE1-CB 4.28Å; F124-W128 HydrophobicContact CE1-CG 4.38Å; F124-W128 HydrophobicContact CZ-CB 4.27Å; F124-W128 HydrophobicContact CZ-CD2 4.23Å; F124-W128 HydrophobicContact CZ-CE3 4.34Å; F124-W128 HydrophobicContact CZ-CG 4.2Å; F124-W128 WeakPolarHBondContact O-CB 3.4Å; F124-W128 PolarHBondContact O-N 3.2Å; W128-L131 HydrophobicContact CE3-CD2 4.14Å; W128-L131 HydrophobicContact CZ3-CD2 3.94Å; W128-L132 PolarHBondContact O-N 3.24Å; W128-I382 HydrophobicContact CZ3-CG2 4.33Å; W128-W608 AromaticContact CD1-CD1 3.44Å; W128-W608 VanDerWaalsContact CD1-CD1 3.44Å; W128-W608 AromaticContact CD1-NE1 3.17Å; W128-W608 HydrophobicContact CD2-CZ2 4.27Å; W128-W608 AromaticContact CD2-NE1 3.89Å; W128-W608 AromaticContact CE2-CE2 3.48Å; W128-W608 VanDerWaalsContact CE2-CE2 3.48Å; W128-W608 AromaticContact CE2-CZ2 3.65Å; W128-W608 AromaticContact CE2-NE1 3.43Å; W128-W608 AromaticContact CG-NE1 3.73Å; W128-W608 HydrophobicContact CH2-CH2 4.25Å; W128-W608 AromaticContact CH2-CZ2 3.97Å; W128-W608 HydrophobicContact CH2-CZ2 3.97Å; W128-W608 HydrophobicContact CZ2-CD2 4.33Å; W128-W608 AromaticContact CZ2-CE2 3.7Å; W128-W608 AromaticContact CZ2-CH2 3.88Å; W128-W608 HydrophobicContact CZ2-CH2 3.88Å; W128-W608 AromaticContact CZ2-CZ2 3.47Å; W128-W608 HydrophobicContact CZ2-CZ2 3.47Å; W128-W608 VanDerWaalsContact CZ2-CZ2 3.47Å; W128-W608 HydrophobicContact CZ2-CZ3 4.45Å; W128-W608 AromaticContact NE1-CD1 3.27Å; W128-W608 VanDerWaalsContact NE1-CD1 3.27Å; W128-W608 AromaticContact NE1-CD2 3.86Å; W128-W608 AromaticContact NE1-CE2 3.38Å; W128-W608 AromaticContact NE1-CG 3.84Å; W128-W608 AromaticContact NE1-NE1 2.96Å; W128-W608 PolarHBondContact NE1-O 3.19Å; W128-W608 PolarHBondContact O-NE1 2.67Å; W128-W608 VanDerWaalsContact O-NE1 3.09Å; W128-I611 HydrophobicContact CZ2-CG2 4.28Å; W128-G612 VanDerWaalsContact NE1-CA 3.28Å; W128-L615 HydrophobicContact CH2-CD1 3.69Å; W128-L615 HydrophobicContact CZ2-CD1 4.07Å; W128-L615 HydrophobicContact CZ3-CD1 4.31Å
129A90.6Very high90.7Very high0 Ų07.5 Ų7.50%04%0.039CC..Hα-helixtrans-70.5-42.5172.800000112.2I125 T126 L132 E133 F605I125-A129 VanDerWaalsContact O-CB 3.3Å; I125-A129 WeakPolarHBondContact O-CB 3.18Å; I125-A129 PolarHBondContact O-N 2.9Å; T126-A129 PolarHBondContact O-N 3.07Å; A129-L132 WeakPolarHBondContact O-CB 3.23Å; A129-L132 PolarHBondContact O-N 3.27Å; A129-E133 PolarHBondContact O-N 3.41Å; A129-F605 HydrophobicContact CB-CE2 4.33Å; A129-F605 HydrophobicContact CB-CZ 4.4Å
130I88.8Confident91Very high1 Ų17.5 Ų7.51%0.0054%0.039CC..Hα-helixtrans-67-39.3176.8-68.5174.8000111T126 G127 L132 E133 Y134 I372 A430T126-I130 HydrophobicContact CG2-CD1 4.02Å; T126-I130 VanDerWaalsContact O-CG1 3.31Å; T126-I130 WeakPolarHBondContact O-CG1 3.47Å; T126-I130 PolarHBondContact O-N 3.2Å; G127-I130 PolarHBondContact O-N 3.05Å; I130-L132 VanDerWaalsContact C-N 3.28Å; I130-L132 PolarHBondContact O-N 3.14Å; I130-E133 WeakPolarHBondContact O-CB 3.44Å; I130-E133 PolarHBondContact O-N 2.99Å; I130-Y134 HydrophobicContact CG2-CD2 3.85Å; I130-Y134 HydrophobicContact CG2-CE2 3.71Å; I130-Y134 WeakPolarHBondContact O-CD2 3.24Å; I130-Y134 PolarHBondContact O-N 3Å; I130-I372 HydrophobicContact CG2-CD1 3.75Å; I130-A430 HydrophobicContact CD1-CB 4.44Å; I130-A430 HydrophobicContact CG1-CB 4.02Å
131L90Very high91.3Very high0 Ų08 Ų80%04%0.042CC..Hα-helixtrans-59.3-42.5174.8179.662.7000111.3G127 W128 Y134 I135 I372 M376 F402 V403G127-L131 WeakPolarHBondContact O-CB 3.33Å; G127-L131 PolarHBondContact O-N 3.43Å; W128-L131 HydrophobicContact CE3-CD2 4.14Å; W128-L131 HydrophobicContact CZ3-CD2 3.94Å; L131-Y134 PolarHBondContact O-N 3.25Å; L131-I135 HydrophobicContact CD1-CD1 4.39Å; L131-I135 HydrophobicContact CG-CD1 4.08Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 3.07Å; L131-I135 VanDerWaalsContact O-N 3.08Å; L131-I372 HydrophobicContact CB-CG2 4.5Å; L131-M376 HydrophobicContact CB-CE 4.03Å; L131-M376 HydrophobicContact CD2-CE 3.78Å; L131-M376 HydrophobicContact CG-CE 4.42Å; L131-F402 HydrophobicContact CD2-CE1 4.46Å; L131-V403 HydrophobicContact CD1-CG2 4.2Å
132L91.5Very high91.5Very high3 Ų35.6 Ų5.62%0.0163%0.031CC..Hα-helixtrans-61.9-44.3173.8-17966.4000112.1W128 A129 I130 Y134 I135 L136 F422 F605 W608W128-L132 PolarHBondContact O-N 3.24Å; A129-L132 WeakPolarHBondContact O-CB 3.23Å; A129-L132 PolarHBondContact O-N 3.27Å; I130-L132 VanDerWaalsContact C-N 3.28Å; I130-L132 PolarHBondContact O-N 3.14Å; L132-Y134 VanDerWaalsContact C-N 3.32Å; L132-Y134 PolarHBondContact O-N 3.42Å; L132-I135 PolarHBondContact O-N 3.03Å; L132-L136 HydrophobicContact CD1-CD1 3.97Å; L132-L136 HydrophobicContact CD1-CG 4.02Å; L132-L136 HydrophobicContact CD2-CD1 4.12Å; L132-L136 HydrophobicContact CG-CD1 3.66Å; L132-L136 HydrophobicContact CG-CG 4.12Å; L132-L136 WeakPolarHBondContact O-CB 3.27Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 3.37Å; L132-F422 HydrophobicContact CD1-CE1 4.24Å; L132-F422 HydrophobicContact CD1-CZ 4.05Å; L132-F422 HydrophobicContact CD2-CE2 3.67Å; L132-F422 HydrophobicContact CD2-CZ 3.67Å; L132-F422 HydrophobicContact CG-CZ 4.35Å; L132-F605 HydrophobicContact CD2-CD2 4.01Å; L132-F605 HydrophobicContact CD2-CE2 4.34Å; L132-W608 HydrophobicContact CB-CD2 4.46Å; L132-W608 HydrophobicContact CB-CG 4.48Å; L132-W608 HydrophobicContact CB-CZ2 4.25Å; L132-W608 HydrophobicContact CD1-CD2 3.7Å; L132-W608 HydrophobicContact CD1-CE3 4.07Å; L132-W608 HydrophobicContact CD1-CG 3.98Å; L132-W608 HydrophobicContact CD1-CZ2 4.2Å; L132-W608 HydrophobicContact CD1-CZ3 4.47Å; L132-W608 HydrophobicContact CD2-CB 4.18Å; L132-W608 HydrophobicContact CD2-CD2 4.36Å; L132-W608 HydrophobicContact CD2-CG 3.76Å; L132-W608 HydrophobicContact CG-CD2 4.37Å; L132-W608 HydrophobicContact CG-CG 4.27Å
133E90.8Very high91.8Very high6 Ų64.9 Ų4.93%0.0283%0.026CC..Hα-helixtrans-54.1-48.9176.7169.6-176.2155.800111A129 I130 I135 L136 G137 I270 M423 T427A129-E133 PolarHBondContact O-N 3.41Å; I130-E133 WeakPolarHBondContact O-CB 3.44Å; I130-E133 PolarHBondContact O-N 2.99Å; E133-I135 PolarHBondContact O-N 2.95Å; E133-L136 PolarHBondContact O-N 3.01Å; E133-G137 PolarHBondContact O-N 2.88Å; E133-I270 HydrophobicContact CG-CG2 4.01Å; E133-I270 WeakPolarHBondContact OE1-CG2 3.01Å; E133-M423 HydrophobicContact CG-CG 4.23Å; E133-T427 VanDerWaalsContact CG-OG1 3.29Å; E133-T427 WeakPolarHBondContact CG-OG1 3.44Å; E133-T427 WeakPolarHBondContact OE2-CA 3.49Å; E133-T427 WeakPolarHBondContact OE2-CB 3.36Å; E133-T427 WeakPolarHBondContact OE2-CG2 3.27Å; E133-T427 PolarHBondContact OE2-OG1 2.77Å
134Y90Very high92Very high14 Ų144.9 Ų4.96%0.0553%0.026CC..Hα-helixtrans-63.3-42.4177.1-83.2-76.1000112.6I130 L131 L132 L136 G137 I138 A368 A369 I372I130-Y134 HydrophobicContact CG2-CD2 3.85Å; I130-Y134 HydrophobicContact CG2-CE2 3.71Å; I130-Y134 WeakPolarHBondContact O-CD2 3.24Å; I130-Y134 PolarHBondContact O-N 3Å; L131-Y134 PolarHBondContact O-N 3.25Å; L132-Y134 VanDerWaalsContact C-N 3.32Å; L132-Y134 PolarHBondContact O-N 3.42Å; Y134-L136 VanDerWaalsContact C-N 3.34Å; Y134-L136 PolarHBondContact O-N 3.35Å; Y134-G137 PolarHBondContact O-N 2.96Å; Y134-I138 WeakPolarHBondContact O-CD1 3.19Å; Y134-I138 WeakPolarHBondContact O-CG1 3.41Å; Y134-I138 PolarHBondContact O-N 3.37Å; Y134-A368 HydrophobicContact CD1-CB 4.1Å; Y134-A368 HydrophobicContact CE1-CB 3.49Å; Y134-A368 VanDerWaalsContact CE1-CB 3.49Å; Y134-A369 HydrophobicContact CD1-CB 4.43Å; Y134-A369 HydrophobicContact CG-CB 4.05Å; Y134-I372 HydrophobicContact CD2-CD1 3.37Å; Y134-I372 HydrophobicContact CE2-CD1 3.11Å; Y134-I372 HydrophobicContact CG-CD1 4.45Å
135I93.5Very high92.2Very high0 Ų06.4 Ų6.40%03%0.032CC..Hα-helixtrans-59.3-46.3176.5-73.9166.5000110.8L131 L132 E133 S139 V403 I406 L410 W608L131-I135 HydrophobicContact CD1-CD1 4.39Å; L131-I135 HydrophobicContact CG-CD1 4.08Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 3.07Å; L131-I135 VanDerWaalsContact O-N 3.08Å; L132-I135 PolarHBondContact O-N 3.03Å; E133-I135 PolarHBondContact O-N 2.95Å; I135-S139 WeakPolarHBondContact O-CB 3.49Å; I135-S139 PolarHBondContact O-N 3.36Å; I135-S139 VanDerWaalsContact O-N 3.08Å; I135-S139 PolarHBondContact O-OG 3.28Å; I135-V403 HydrophobicContact CG1-CG1 4.07Å; I135-I406 HydrophobicContact CD1-CG2 4.41Å; I135-I406 HydrophobicContact CG2-CB 4.41Å; I135-I406 HydrophobicContact CG2-CG2 3.72Å; I135-L410 HydrophobicContact CG2-CD1 3.58Å; I135-W608 HydrophobicContact CD1-CH2 4.2Å; I135-W608 HydrophobicContact CD1-CZ2 4.44Å
136L92.9Very high92.4Very high1 Ų14.5 Ų4.51%0.0052%0.022CC..Hα-helixtrans-68-39.9178.4-68.7172.6000111.6L132 E133 Y134 S139 L140 L410 L419 F422 M423L132-L136 HydrophobicContact CD1-CD1 3.97Å; L132-L136 HydrophobicContact CD1-CG 4.02Å; L132-L136 HydrophobicContact CD2-CD1 4.12Å; L132-L136 HydrophobicContact CG-CD1 3.66Å; L132-L136 HydrophobicContact CG-CG 4.12Å; L132-L136 WeakPolarHBondContact O-CB 3.27Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 3.37Å; E133-L136 PolarHBondContact O-N 3.01Å; Y134-L136 VanDerWaalsContact C-N 3.34Å; Y134-L136 PolarHBondContact O-N 3.35Å; L136-S139 WeakPolarHBondContact O-CB 3.48Å; L136-S139 PolarHBondContact O-N 2.97Å; L136-L140 VanDerWaalsContact O-CB 3.24Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 PolarHBondContact O-N 3.42Å; L136-L410 HydrophobicContact CD2-CD1 3.91Å; L136-L419 HydrophobicContact CD2-CD2 3.79Å; L136-F422 HydrophobicContact CD1-CB 3.92Å; L136-F422 HydrophobicContact CD1-CD1 3.55Å; L136-F422 HydrophobicContact CD1-CD2 3.93Å; L136-F422 HydrophobicContact CD1-CE1 3.96Å; L136-F422 HydrophobicContact CD1-CE2 4.29Å; L136-F422 HydrophobicContact CD1-CG 3.51Å; L136-F422 HydrophobicContact CD1-CZ 4.31Å; L136-F422 HydrophobicContact CD2-CB 4.38Å; L136-F422 HydrophobicContact CD2-CD1 3.38Å; L136-F422 HydrophobicContact CD2-CE1 3.86Å; L136-F422 HydrophobicContact CD2-CG 4.1Å; L136-F422 HydrophobicContact CG-CD1 4.11Å; L136-F422 HydrophobicContact CG-CE1 4.45Å; L136-F422 HydrophobicContact CG-CG 4.49Å; L136-M423 HydrophobicContact CB-CB 4.03Å; L136-M423 HydrophobicContact CB-CG 4.38Å; L136-M423 HydrophobicContact CD1-CB 4.36Å
137G91.7Very high92.6Very high11 Ų114.6 Ų4.611%0.1132%0.023CC..Hα-helixtrans-62.2-46.6176.600000112.4E133 Y134 S139 L140 V141 M423E133-G137 PolarHBondContact O-N 2.88Å; Y134-G137 PolarHBondContact O-N 2.96Å; G137-S139 VanDerWaalsContact C-N 3.31Å; G137-S139 PolarHBondContact O-N 3.08Å; G137-L140 PolarHBondContact O-N 3.5Å; G137-V141 WeakPolarHBondContact O-CB 3.44Å; G137-V141 WeakPolarHBondContact O-CG2 3.5Å; G137-V141 PolarHBondContact O-N 3.02Å; G137-M423 WeakPolarHBondContact CA-SD 3.39Å
138I93.8Very high92.7Very high0 Ų04.7 Ų4.70%02%0.024CC..Hα-helixtrans-61.9-43.1175.3-59.9157.3000109.9Y134 L140 V141 A142 I187 L362 L366 A369 V403 T407Y134-I138 WeakPolarHBondContact O-CD1 3.19Å; Y134-I138 WeakPolarHBondContact O-CG1 3.41Å; Y134-I138 PolarHBondContact O-N 3.37Å; I138-L140 PolarHBondContact O-N 3.26Å; I138-V141 PolarHBondContact O-N 3.37Å; I138-A142 VanDerWaalsContact O-CB 3.32Å; I138-A142 WeakPolarHBondContact O-CB 3.47Å; I138-A142 PolarHBondContact O-N 2.7Å; I138-I187 HydrophobicContact CG2-CG1 4.28Å; I138-L362 HydrophobicContact CB-CD2 4.5Å; I138-L362 HydrophobicContact CG2-CD2 3.76Å; I138-L362 WeakPolarHBondContact O-CD2 3.38Å; I138-L366 HydrophobicContact CD1-CD2 3.95Å; I138-L366 HydrophobicContact CD1-CG 4.2Å; I138-L366 HydrophobicContact CG1-CG 4.46Å; I138-L366 HydrophobicContact CG2-CD2 4.09Å; I138-L366 HydrophobicContact CG2-CG 4.11Å; I138-A369 HydrophobicContact CD1-CB 4.13Å; I138-V403 HydrophobicContact CD1-CG1 4.18Å; I138-T407 HydrophobicContact CB-CG2 3.61Å; I138-T407 HydrophobicContact CG2-CG2 3.45Å; I138-T407 VanDerWaalsContact CG2-CG2 3.45Å
139S95.3Very high92.9Very high0 Ų06.8 Ų6.80%04%0.035CC..Hα-helixtrans-62-45.6179.1-54.10000111.7I135 L136 G137 A142 R143 T407 T411I135-S139 WeakPolarHBondContact O-CB 3.49Å; I135-S139 PolarHBondContact O-N 3.36Å; I135-S139 VanDerWaalsContact O-N 3.08Å; I135-S139 PolarHBondContact O-OG 3.28Å; L136-S139 WeakPolarHBondContact O-CB 3.48Å; L136-S139 PolarHBondContact O-N 2.97Å; G137-S139 VanDerWaalsContact C-N 3.31Å; G137-S139 PolarHBondContact O-N 3.08Å; S139-A142 PolarHBondContact O-N 2.79Å; S139-R143 WeakPolarHBondContact O-CG 3.38Å; S139-R143 PolarHBondContact O-N 3.18Å; S139-R143 VanDerWaalsContact O-N 3.08Å; S139-T407 WeakPolarHBondContact OG-CA 3.32Å; S139-T407 WeakPolarHBondContact OG-CG2 3.2Å; S139-T407 PolarHBondContact OG-O 3.32Å; S139-T411 VanDerWaalsContact CA-OG1 3.22Å; S139-T411 WeakPolarHBondContact CA-OG1 3.34Å; S139-T411 WeakPolarHBondContact CB-OG1 3.48Å
140L93.4Very high93.2Very high1 Ų17 Ų71%0.0054%0.036CC..Hα-helixtrans-60.8-5117917765.4000111.1L136 G137 I138 A142 R143 C144 V416 L419 A420 M423L136-L140 VanDerWaalsContact O-CB 3.24Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 PolarHBondContact O-N 3.42Å; G137-L140 PolarHBondContact O-N 3.5Å; I138-L140 PolarHBondContact O-N 3.26Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 2.75Å; L140-R143 PolarHBondContact O-N 3.49Å; L140-C144 PolarHBondContact O-N 3.08Å; L140-C144 PolarHBondContact O-SG 3.13Å; L140-V416 HydrophobicContact CD1-CB 4.3Å; L140-V416 HydrophobicContact CD1-CG1 3.53Å; L140-V416 VanDerWaalsContact CD1-O 3.3Å; L140-V416 WeakPolarHBondContact CD1-O 3.25Å; L140-L419 HydrophobicContact CB-CB 4.22Å; L140-L419 HydrophobicContact CD1-CB 4.14Å; L140-A420 HydrophobicContact CD1-CB 4.12Å; L140-A420 HydrophobicContact CD2-CB 4.16Å; L140-M423 HydrophobicContact CD2-CE 3.5Å; L140-M423 VanDerWaalsContact CD2-CE 3.5Å; L140-M423 HydrophobicContact CD2-SD 4.35Å
141V93.9Very high93.4Very high9 Ų97.1 Ų7.16%0.0554%0.037CC..Hα-helixtrans-64.6-38.4-178.4179.20000111.1G137 I138 C144 W145 L358 C361 L362G137-V141 WeakPolarHBondContact O-CB 3.44Å; G137-V141 WeakPolarHBondContact O-CG2 3.5Å; G137-V141 PolarHBondContact O-N 3.02Å; I138-V141 PolarHBondContact O-N 3.37Å; V141-C144 PolarHBondContact O-N 3.25Å; V141-W145 WeakPolarHBondContact O-CB 3.22Å; V141-W145 PolarHBondContact O-N 3.04Å; V141-L358 HydrophobicContact CG1-CB 4.24Å; V141-L358 HydrophobicContact CG1-CD2 4.04Å; V141-C361 HydrophobicContact CG1-CB 4.31Å; V141-L362 HydrophobicContact CB-CD2 3.76Å; V141-L362 HydrophobicContact CB-CG 4.17Å; V141-L362 HydrophobicContact CG1-CD1 4.28Å; V141-L362 HydrophobicContact CG1-CD2 3.79Å; V141-L362 HydrophobicContact CG1-CG 3.61Å
142A96.1Very high93.6Very high0 Ų08.6 Ų8.60%05%0.045CC..Hα-helixtrans-64.1-41.9177.300000112I138 S139 L140 W145 S146 I187 L362 T411I138-A142 VanDerWaalsContact O-CB 3.32Å; I138-A142 WeakPolarHBondContact O-CB 3.47Å; I138-A142 PolarHBondContact O-N 2.7Å; S139-A142 PolarHBondContact O-N 2.79Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 2.75Å; A142-W145 WeakPolarHBondContact O-CB 3.37Å; A142-W145 PolarHBondContact O-N 3.23Å; A142-S146 PolarHBondContact O-N 3.05Å; A142-I187 HydrophobicContact CB-CD1 3.56Å; A142-I187 HydrophobicContact CB-CG1 3.7Å; A142-L362 HydrophobicContact CB-CD2 4.2Å; A142-T411 HydrophobicContact CB-CG2 4.11Å
143R94.3Very high93.7Very high6 Ų610.1 Ų10.12%0.0236%0.058CC..Hα-helixtrans-64.7-42.8173.2-71.3-161.86489.36.5112.6S139 L140 W145 S146 S147 D180 T411 F414 V416 L419S139-R143 WeakPolarHBondContact O-CG 3.38Å; S139-R143 PolarHBondContact O-N 3.18Å; S139-R143 VanDerWaalsContact O-N 3.08Å; L140-R143 PolarHBondContact O-N 3.49Å; R143-W145 VanDerWaalsContact C-N 3.27Å; R143-W145 PolarHBondContact O-N 3.43Å; R143-S146 PolarHBondContact O-N 2.95Å; R143-S147 WeakPolarHBondContact O-CB 3.26Å; R143-S147 PolarHBondContact O-N 3.07Å; R143-D180 VanDerWaalsContact NH1-CB 3.27Å; R143-T411 HydrophobicContact CG-CG2 3.71Å; R143-T411 PolarHBondContact NH1-O 2.99Å; R143-F414 WeakPolarHBondContact CD-O 3.46Å; R143-F414 PolarHBondContact NE-O 3.33Å; R143-F414 PolarHBondContact NH1-O 2.92Å; R143-V416 HydrophobicContact CB-CG2 3.73Å; R143-L419 HydrophobicContact CG-CD1 4.23Å
144C93.7Very high93.8Very high0 Ų013.8 Ų13.80%08%0.078CC..Hα-helixtrans-59.6-41.3175.1-67.40000111.3G61 V65 L140 V141 S147 M148 L358G61-C144 VanDerWaalsContact C-SG 3.59Å; G61-C144 PolarHBondContact O-SG 3.34Å; G61-C144 VanDerWaalsContact O-SG 3.35Å; V65-C144 HydrophobicContact CG2-CB 3.68Å; V65-C144 VanDerWaalsContact CG2-SG 3.54Å; L140-C144 PolarHBondContact O-N 3.08Å; L140-C144 PolarHBondContact O-SG 3.13Å; V141-C144 PolarHBondContact O-N 3.25Å; C144-S147 PolarHBondContact O-N 3.04Å; C144-M148 WeakPolarHBondContact O-CG 3.37Å; C144-M148 PolarHBondContact O-N 3.31Å; C144-L358 HydrophobicContact CB-CD1 4.39Å
145W94.5Very high93.9Very high33 Ų3316.1 Ų16.113%0.1259%0.091CC..Hα-helixtrans-62-47.4175.9-173.499.9000111.7V141 A142 R143 S147 M148 L149 V182 L186 L355 L358V141-W145 WeakPolarHBondContact O-CB 3.22Å; V141-W145 PolarHBondContact O-N 3.04Å; A142-W145 WeakPolarHBondContact O-CB 3.37Å; A142-W145 PolarHBondContact O-N 3.23Å; R143-W145 VanDerWaalsContact C-N 3.27Å; R143-W145 PolarHBondContact O-N 3.43Å; W145-S147 VanDerWaalsContact C-N 3.31Å; W145-S147 PolarHBondContact O-N 3.16Å; W145-M148 PolarHBondContact O-N 3.45Å; W145-L149 HydrophobicContact CE3-CB 4.48Å; W145-L149 HydrophobicContact CH2-CD2 3.76Å; W145-L149 HydrophobicContact CZ3-CB 4.3Å; W145-L149 HydrophobicContact CZ3-CD2 3.62Å; W145-L149 PolarHBondContact O-N 3.36Å; W145-V182 HydrophobicContact CE3-CG1 4.26Å; W145-V182 HydrophobicContact CZ3-CG1 3.64Å; W145-L186 HydrophobicContact CB-CD2 4.01Å; W145-L186 HydrophobicContact CD2-CD2 3.45Å; W145-L186 VanDerWaalsContact CD2-CD2 3.45Å; W145-L186 HydrophobicContact CE3-CD2 3.62Å; W145-L186 HydrophobicContact CG-CD2 3.62Å; W145-L186 HydrophobicContact CH2-CD1 4.47Å; W145-L186 HydrophobicContact CZ2-CD1 4.36Å; W145-L186 HydrophobicContact CZ3-CD2 4.24Å; W145-L355 HydrophobicContact CD2-CD2 3.79Å; W145-L355 HydrophobicContact CG-CD2 3.84Å; W145-L355 HydrophobicContact CZ2-CD2 4.22Å; W145-L355 PolarHBondContact NE1-O 3.35Å; W145-L355 WeakPolarHBondContact O-CD2 3.45Å; W145-L358 HydrophobicContact CB-CB 4.42Å; W145-L358 HydrophobicContact CB-CD1 4.16Å
146S95.5Very high93.9Very high1 Ų120.7 Ų20.71%0.00712%0.115CC..Hα-helixtrans-59.8-42.3177.2-174.90000111.9A142 R143 L149 D150 D180A142-S146 PolarHBondContact O-N 3.05Å; R143-S146 PolarHBondContact O-N 2.95Å; S146-L149 PolarHBondContact O-N 3.32Å; S146-D150 WeakPolarHBondContact O-CB 3.44Å; S146-D150 PolarHBondContact O-N 2.96Å; S146-D180 VanDerWaalsContact CB-OD1 3.25Å; S146-D180 WeakPolarHBondContact CB-OD1 3.27Å; S146-D180 WeakPolarHBondContact CB-OD2 3.32Å; S146-D180 VanDerWaalsContact OG-CG 3.27Å; S146-D180 PolarHBondContact OG-OD1 3.29Å; S146-D180 PolarHBondContact OG-OD2 2.62Å
147S92.6Very high93.9Very high3 Ų322.7 Ų22.72%0.02113%0.126CC..Hα-helixtrans-66.6-38.2178.6-164.30000113.3R143 C144 W145 D150 T151 E323R143-S147 WeakPolarHBondContact O-CB 3.26Å; R143-S147 PolarHBondContact O-N 3.07Å; C144-S147 PolarHBondContact O-N 3.04Å; W145-S147 VanDerWaalsContact C-N 3.31Å; W145-S147 PolarHBondContact O-N 3.16Å; S147-D150 PolarHBondContact O-N 3.27Å; S147-T151 PolarHBondContact O-N 3.38Å; S147-T151 PolarHBondContact O-OG1 3.48Å; S147-E323 WeakPolarHBondContact OG-CB 3.31Å; S147-E323 PolarHBondContact OG-O 2.94Å; S147-E323 PolarHBondContact OG-OE2 3.42Å
148M93.2Very high94Very high2 Ų222.9 Ų22.91%0.0113%0.125CC..Hα-helixtrans-62.4-45.2170.7-70-47.698.600111.5V65 C144 W145 T151 L152 E323 S324 L327 L355 L358V65-M148 HydrophobicContact CG2-CE 3.48Å; V65-M148 VanDerWaalsContact CG2-CE 3.48Å; C144-M148 WeakPolarHBondContact O-CG 3.37Å; C144-M148 PolarHBondContact O-N 3.31Å; W145-M148 PolarHBondContact O-N 3.45Å; M148-T151 PolarHBondContact O-N 3.13Å; M148-L152 WeakPolarHBondContact O-CG 3.14Å; M148-L152 PolarHBondContact O-N 3.24Å; M148-E323 VanDerWaalsContact CE-O 3.24Å; M148-E323 WeakPolarHBondContact CE-O 3.34Å; M148-S324 VanDerWaalsContact CE-CA 3.5Å; M148-S324 VanDerWaalsContact CE-CB 3.46Å; M148-L327 HydrophobicContact CB-CD1 4.39Å; M148-L327 HydrophobicContact SD-CD1 3.68Å; M148-L327 HydrophobicContact SD-CG 4.22Å; M148-L355 HydrophobicContact CB-CD2 3.8Å; M148-L355 HydrophobicContact CB-CG 4.45Å; M148-L358 HydrophobicContact CG-CD1 4.36Å
149L95.5Very high93.9Very high51 Ų5128.6 Ų28.627%0.26715%0.15SC..Hα-helixtrans-63.2-43.6179.3-176.368.6000111.3W145 S146 T151 L152 A153 I157 V182 L355W145-L149 HydrophobicContact CE3-CB 4.48Å; W145-L149 HydrophobicContact CH2-CD2 3.76Å; W145-L149 HydrophobicContact CZ3-CB 4.3Å; W145-L149 HydrophobicContact CZ3-CD2 3.62Å; W145-L149 PolarHBondContact O-N 3.36Å; S146-L149 PolarHBondContact O-N 3.32Å; L149-T151 VanDerWaalsContact C-N 3.31Å; L149-T151 PolarHBondContact O-N 2.93Å; L149-L152 WeakPolarHBondContact O-CB 3.25Å; L149-L152 PolarHBondContact O-N 3.12Å; L149-A153 WeakPolarHBondContact O-CB 3.5Å; L149-A153 PolarHBondContact O-N 2.97Å; L149-I157 HydrophobicContact CD2-CD1 4.13Å; L149-I157 HydrophobicContact CG-CD1 4.15Å; L149-V182 HydrophobicContact CD2-CG1 3.94Å; L149-L355 HydrophobicContact CB-CD2 4.23Å; L149-L355 HydrophobicContact CD1-CD1 4.08Å
150D95.1Very high94Very high4 Ų435.9 Ų35.92%0.02118%0.178CC..Hα-helixtrans-62.6-40.4177.9-170.537.4000111.4S146 S147 L152 A153 D154 N155 N156 I157 S158S146-D150 WeakPolarHBondContact O-CB 3.44Å; S146-D150 PolarHBondContact O-N 2.96Å; S147-D150 PolarHBondContact O-N 3.27Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 2.95Å; D150-A153 CarbonylContact O-C 3.44Å; D150-A153 VanDerWaalsContact O-C 3.22Å; D150-A153 WeakPolarHBondContact O-CA 3.47Å; D150-A153 PolarHBondContact O-N 3.44Å; D150-D154 PolarHBondContact O-N 3.34Å; D150-N155 WeakPolarHBondContact O-CA 3.23Å; D150-N155 PolarHBondContact O-N 3.45Å; D150-N155 WeakPolarHBondContact OD1-CA 3.5Å; D150-N156 PolarHBondContact OD1-N 3.36Å; D150-I157 HydrophobicContact CB-CB 4.27Å; D150-I157 HydrophobicContact CB-CD1 4.31Å; D150-I157 VanDerWaalsContact OD1-CA 3.31Å; D150-I157 WeakPolarHBondContact OD1-CA 3.36Å; D150-I157 WeakPolarHBondContact OD1-CB 3.31Å; D150-I157 PolarHBondContact OD1-N 2.6Å; D150-S158 PolarHBondContact OD1-N 2.96Å; D150-S158 VanDerWaalsContact OD1-N 3.15Å; D150-S158 WeakPolarHBondContact OD2-CB 3.34Å; D150-S158 PolarHBondContact OD2-N 2.83Å; D150-S158 PolarHBondContact OD2-OG 3.3Å
151T93.5Very high94Very high4 Ų436 Ų363%0.02518%0.179CC..Hα-helixtrans-63.2-39.2176-57.70000112.3S147 M148 L149 A153 D154 N155 S324 L327 F347S147-T151 PolarHBondContact O-N 3.38Å; S147-T151 PolarHBondContact O-OG1 3.48Å; M148-T151 PolarHBondContact O-N 3.13Å; L149-T151 VanDerWaalsContact C-N 3.31Å; L149-T151 PolarHBondContact O-N 2.93Å; T151-A153 PolarHBondContact O-N 3.49Å; T151-D154 PolarHBondContact O-N 2.97Å; T151-N155 WeakPolarHBondContact CA-OD1 3.48Å; T151-S324 WeakPolarHBondContact CG2-OG 3.41Å; T151-S324 WeakPolarHBondContact OG1-CB 3.33Å; T151-S324 PolarHBondContact OG1-OG 3.19Å; T151-L327 HydrophobicContact CG2-CB 3.72Å; T151-L327 HydrophobicContact CG2-CD1 4.07Å; T151-F347 HydrophobicContact CG2-CE2 4.22Å; T151-F347 HydrophobicContact CG2-CZ 4.3Å
152L94.8Very high94Very high31 Ų3138.2 Ų38.216%0.16219%0.189CC..Hα-helixtrans-66.5-28.8173.2-73.8166.3000112.5M148 L149 D150 D154 L327 F347 Y348 L355M148-L152 WeakPolarHBondContact O-CG 3.14Å; M148-L152 PolarHBondContact O-N 3.24Å; L149-L152 WeakPolarHBondContact O-CB 3.25Å; L149-L152 PolarHBondContact O-N 3.12Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 2.95Å; L152-D154 VanDerWaalsContact C-N 3.3Å; L152-L327 HydrophobicContact CG-CD1 4.34Å; L152-F347 HydrophobicContact CD2-CD1 4.22Å; L152-F347 HydrophobicContact CD2-CE1 3.7Å; L152-F347 HydrophobicContact CD2-CZ 4.17Å; L152-Y348 HydrophobicContact CD2-CD1 4.05Å; L152-Y348 HydrophobicContact CD2-CE1 4.42Å; L152-L355 HydrophobicContact CD1-CD1 3.64Å; L152-L355 HydrophobicContact CD1-CG 4.38Å
153A94.6Very high93.8Very high35 Ų3545.9 Ų45.929%0.28923%0.225SC..THydrogen-bonded Turntrans-91.223.2174.700000113.1L149 D150 T151 N155 N156 I157L149-A153 WeakPolarHBondContact O-CB 3.5Å; L149-A153 PolarHBondContact O-N 2.97Å; D150-A153 CarbonylContact O-C 3.44Å; D150-A153 VanDerWaalsContact O-C 3.22Å; D150-A153 WeakPolarHBondContact O-CA 3.47Å; D150-A153 PolarHBondContact O-N 3.44Å; T151-A153 PolarHBondContact O-N 3.49Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.67Å; A153-N156 VanDerWaalsContact O-CB 3.23Å; A153-N156 WeakPolarHBondContact O-CB 3.27Å; A153-N156 PolarHBondContact O-N 2.89Å; A153-N156 VanDerWaalsContact O-N 3.07Å; A153-N156 PolarHBondContact O-ND2 3.42Å; A153-I157 HydrophobicContact CB-CD1 4.38Å; A153-I157 HydrophobicContact CB-CG1 4.36Å
154D91.9Very high93.8Very high84 Ų8450 Ų5045%0.44925%0.248SC..THydrogen-bonded Turntrans57.232.7178.9-70.7-50.7000115.5D150 T151 L152 N156 K159 K331D150-D154 PolarHBondContact O-N 3.34Å; T151-D154 PolarHBondContact O-N 2.97Å; L152-D154 VanDerWaalsContact C-N 3.3Å; D154-N156 PolarHBondContact O-N 2.78Å; D154-K159 PolarHBondContact O-NZ 2.86Å; D154-K331 IonicContact OD1-NZ 2.9Å; D154-K331 PolarHBondContact OD1-NZ 2.87Å
155N92.1Very high93.8Very high63 Ų6353.3 Ų53.334%0.33727%0.268SS..THydrogen-bonded Turntrans59.526.9-175.6-57.8-24.3000113.2D150 T151 A153 S158 K159D150-N155 WeakPolarHBondContact O-CA 3.23Å; D150-N155 PolarHBondContact O-N 3.45Å; D150-N155 WeakPolarHBondContact OD1-CA 3.5Å; T151-N155 WeakPolarHBondContact CA-OD1 3.48Å; A153-N155 VanDerWaalsContact C-N 3.26Å; A153-N155 PolarHBondContact O-N 2.67Å; N155-S158 PolarHBondContact O-OG 3.41Å; N155-K159 WeakPolarHBondContact O-CB 3.24Å; N155-K159 VanDerWaalsContact O-CD 3.23Å; N155-K159 WeakPolarHBondContact O-CD 3.34Å; N155-K159 WeakPolarHBondContact O-CG 3.43Å; N155-K159 PolarHBondContact O-N 3.06Å
156N94.2Very high93.6Very high95 Ų9553.1 Ų53.151%0.50828%0.276SS..Hα-helixtrans-73.8-27.2-177.9-72.4-27.8000112.7D150 A153 D154 W160D150-N156 PolarHBondContact OD1-N 3.36Å; A153-N156 VanDerWaalsContact O-CB 3.23Å; A153-N156 WeakPolarHBondContact O-CB 3.27Å; A153-N156 PolarHBondContact O-N 2.89Å; A153-N156 VanDerWaalsContact O-N 3.07Å; A153-N156 PolarHBondContact O-ND2 3.42Å; D154-N156 PolarHBondContact O-N 2.78Å; N156-W160 WeakPolarHBondContact O-CB 3.45Å; N156-W160 PolarHBondContact O-N 2.88Å
157I93.3Very high93.4Very high43 Ų4359.2 Ų59.222%0.22130%0.299CS..Hα-helixtrans-71.7-48.8-179.8-51.3174.2000109.5L149 D150 A153 W160 T161 V182L149-I157 HydrophobicContact CD2-CD1 4.13Å; L149-I157 HydrophobicContact CG-CD1 4.15Å; D150-I157 HydrophobicContact CB-CB 4.27Å; D150-I157 HydrophobicContact CB-CD1 4.31Å; D150-I157 VanDerWaalsContact OD1-CA 3.31Å; D150-I157 WeakPolarHBondContact OD1-CA 3.36Å; D150-I157 WeakPolarHBondContact OD1-CB 3.31Å; D150-I157 PolarHBondContact OD1-N 2.6Å; A153-I157 HydrophobicContact CB-CD1 4.38Å; A153-I157 HydrophobicContact CB-CG1 4.36Å; I157-W160 PolarHBondContact O-N 3.37Å; I157-T161 WeakPolarHBondContact O-CB 3.46Å; I157-T161 PolarHBondContact O-N 3.19Å; I157-T161 PolarHBondContact O-OG1 3.47Å; I157-V182 HydrophobicContact CG2-CG2 3.83Å
158S91.8Very high93.2Very high15 Ų1561.2 Ų61.211%0.10531%0.309CS..Hα-helixtrans-63.7-45.4176.554.30000111.4D150 N155 W160 T161 I162D150-S158 PolarHBondContact OD1-N 2.96Å; D150-S158 VanDerWaalsContact OD1-N 3.15Å; D150-S158 WeakPolarHBondContact OD2-CB 3.34Å; D150-S158 PolarHBondContact OD2-N 2.83Å; D150-S158 PolarHBondContact OD2-OG 3.3Å; N155-S158 PolarHBondContact O-OG 3.41Å; S158-W160 PolarHBondContact O-N 3.45Å; S158-T161 PolarHBondContact O-N 3.49Å; S158-I162 WeakPolarHBondContact O-CB 3.4Å; S158-I162 VanDerWaalsContact O-CG1 3.24Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.34Å
159K93.8Very high93.1Very high120 Ų12062.9 Ų62.952%0.52232%0.32SS..Hα-helixtrans-57.5-47.9175.6-73.7168.6-168.4159.10112.2D154 N155 T161 I162 H163D154-K159 PolarHBondContact O-NZ 2.86Å; N155-K159 WeakPolarHBondContact O-CB 3.24Å; N155-K159 VanDerWaalsContact O-CD 3.23Å; N155-K159 WeakPolarHBondContact O-CD 3.34Å; N155-K159 WeakPolarHBondContact O-CG 3.43Å; N155-K159 PolarHBondContact O-N 3.06Å; K159-T161 VanDerWaalsContact C-N 3.33Å; K159-T161 PolarHBondContact O-N 2.86Å; K159-I162 PolarHBondContact O-N 3.05Å; K159-H163 VanDerWaalsContact O-CB 3.31Å; K159-H163 WeakPolarHBondContact O-CB 3.44Å; K159-H163 PolarHBondContact O-N 3.46Å
160W95.6Very high92.6Very high153 Ų15366.9 Ų66.958%0.5834%0.337SS*.Hα-helixtrans-61.8-42.4178.4179.591.6000111.6N156 I157 S158 H163 N164N156-W160 WeakPolarHBondContact O-CB 3.45Å; N156-W160 PolarHBondContact O-N 2.88Å; I157-W160 PolarHBondContact O-N 3.37Å; S158-W160 PolarHBondContact O-N 3.45Å; W160-H163 PolarHBondContact O-N 2.93Å; W160-N164 VanDerWaalsContact CE2-ND2 3.34Å; W160-N164 HydrophobicContact CZ2-CB 4.41Å; W160-N164 PolarHBondContact NE1-ND2 2.93Å; W160-N164 VanDerWaalsContact NE1-ND2 3.1Å; W160-N164 WeakPolarHBondContact O-CB 3.39Å; W160-N164 PolarHBondContact O-N 3.47Å; W160-N164 PolarHBondContact O-ND2 3.36Å
161T94.3Very high91.8Very high5 Ų569.1 Ų69.13%0.03135%0.352CS..Hα-helixtrans-65.5-46.6179.8-54.10000111.3I157 S158 K159 H163 N164 V165 G166 Y178 F181I157-T161 WeakPolarHBondContact O-CB 3.46Å; I157-T161 PolarHBondContact O-N 3.19Å; I157-T161 PolarHBondContact O-OG1 3.47Å; S158-T161 PolarHBondContact O-N 3.49Å; K159-T161 VanDerWaalsContact C-N 3.33Å; K159-T161 PolarHBondContact O-N 2.86Å; T161-H163 VanDerWaalsContact C-N 3.27Å; T161-H163 PolarHBondContact O-N 3.42Å; T161-N164 PolarHBondContact O-N 2.9Å; T161-V165 HydrophobicContact CG2-CB 4.38Å; T161-V165 HydrophobicContact CG2-CG2 4.41Å; T161-V165 WeakPolarHBondContact O-CB 3.49Å; T161-V165 PolarHBondContact O-N 3.38Å; T161-G166 PolarHBondContact O-N 3.22Å; T161-Y178 HydrophobicContact CG2-CD2 4.39Å; T161-F181 HydrophobicContact CG2-CD2 4.23Å; T161-F181 HydrophobicContact CG2-CE2 4.06Å
162I92.8Very high90.8Very high54 Ų5471.1 Ų71.128%0.27737%0.373SS..Hα-helixtrans-61.4-38.6177.2-67.8166.5000110.8S158 K159 G166 R167 E177 Y178S158-I162 WeakPolarHBondContact O-CB 3.4Å; S158-I162 VanDerWaalsContact O-CG1 3.24Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.34Å; K159-I162 PolarHBondContact O-N 3.05Å; I162-G166 CarbonylContact O-C 3.58Å; I162-G166 WeakPolarHBondContact O-CA 3.5Å; I162-G166 PolarHBondContact O-N 3Å; I162-R167 HydrophobicContact CG2-CB 4.28Å; I162-E177 HydrophobicContact CD1-CG 4.17Å; I162-Y178 HydrophobicContact CD1-CD1 4.4Å
163H92.9Very high90.2Very high161 Ų16170.8 Ų70.875%0.74538%0.378SS*.Hα-helixtrans-71.5-44.2-179.4-172.268.2000113.3K159 W160 T161K159-H163 VanDerWaalsContact O-CB 3.31Å; K159-H163 WeakPolarHBondContact O-CB 3.44Å; K159-H163 PolarHBondContact O-N 3.46Å; W160-H163 PolarHBondContact O-N 2.93Å; T161-H163 VanDerWaalsContact C-N 3.27Å; T161-H163 PolarHBondContact O-N 3.42Å
164N95.2Very high89.8Confident94 Ų9471.9 Ų71.950%0.50338%0.381SS..Hα-helixtrans-92.6-37.4-172.5-68-79.1000114.1W160 T161W160-N164 VanDerWaalsContact CE2-ND2 3.34Å; W160-N164 HydrophobicContact CZ2-CB 4.41Å; W160-N164 PolarHBondContact NE1-ND2 2.93Å; W160-N164 VanDerWaalsContact NE1-ND2 3.1Å; W160-N164 WeakPolarHBondContact O-CB 3.39Å; W160-N164 PolarHBondContact O-N 3.47Å; W160-N164 PolarHBondContact O-ND2 3.36Å; T161-N164 PolarHBondContact O-N 2.9Å
165V92.6Very high89.6Confident69 Ų6970.7 Ų70.742%0.41837%0.374SS..THydrogen-bonded Turntrans-98.6-25.7-177.2-174.70000111.3T161 Y179 F181T161-V165 HydrophobicContact CG2-CB 4.38Å; T161-V165 HydrophobicContact CG2-CG2 4.41Å; T161-V165 WeakPolarHBondContact O-CB 3.49Å; T161-V165 PolarHBondContact O-N 3.38Å; V165-Y179 HydrophobicContact CG1-CD2 3.7Å; V165-Y179 HydrophobicContact CG1-CE2 4.11Å; V165-F181 HydrophobicContact CG1-CE2 4.4Å; V165-F181 HydrophobicContact CG1-CZ 4.39Å; V165-F181 HydrophobicContact CG2-CE2 4.01Å; V165-F181 HydrophobicContact CG2-CZ 4.49Å
166G90.5Very high89.6Confident28 Ų2867.8 Ų67.829%0.28936%0.358SS..  trans100.4160.7-177.500000112.8T161 I162T161-G166 PolarHBondContact O-N 3.22Å; I162-G166 CarbonylContact O-C 3.58Å; I162-G166 WeakPolarHBondContact O-CA 3.5Å; I162-G166 PolarHBondContact O-N 3Å
167R91.1Very high89.3Confident130 Ų13065.8 Ų65.849%0.49135%0.346SS..  trans-80.1124176-160.1-174.1-158.4168.18.9109.5I162 S169 E177I162-R167 HydrophobicContact CG2-CB 4.28Å; R167-S169 WeakPolarHBondContact CG-O 3.46Å; R167-S169 PolarHBondContact NE-O 3.23Å; R167-E177 HydrophobicContact CG-CG 3.92Å; R167-E177 WeakPolarHBondContact CG-O 3.33Å; R167-E177 IonicContact CZ-OE1 3.18Å; R167-E177 IonicContact NE-OE1 3.01Å; R167-E177 PolarHBondContact NE-OE1 2.88Å; R167-E177 IonicContact NH2-OE1 2.64Å; R167-E177 PolarHBondContact NH2-OE1 3.22Å
168L89.4Confident89.2Confident45 Ų4564.3 Ų64.324%0.23634%0.338CS..  trans-75.9-42.6-179173.561.4000111.7L175 A176 E177 Y179 I413L168-L175 HydrophobicContact CD2-CB 4.15Å; L168-L175 HydrophobicContact CG-CB 4.24Å; L168-A176 WeakPolarHBondContact CB-O 3.23Å; L168-E177 PolarHBondContact N-O 3.15Å; L168-Y179 HydrophobicContact CB-CE2 4.44Å; L168-Y179 HydrophobicContact CD1-CE1 4.02Å; L168-Y179 HydrophobicContact CD1-CE2 4.37Å; L168-Y179 WeakPolarHBondContact CD1-OH 3.47Å; L168-Y179 HydrophobicContact CD2-CD1 4.03Å; L168-Y179 HydrophobicContact CD2-CE1 3.75Å; L168-Y179 HydrophobicContact CG-CE1 4.38Å; L168-I413 HydrophobicContact CD2-CG2 4.46Å
169S89.6Confident89.4Confident36 Ų3667.2 Ų67.225%0.25235%0.347SS..SBendtrans-152.7172.2-176.8-154.80000112.8R167 A176R167-S169 WeakPolarHBondContact CG-O 3.46Å; R167-S169 PolarHBondContact NE-O 3.23Å; S169-A176 PolarHBondContact N-O 2.96Å
170H84.9Confident89.4Confident135 Ų13561.6 Ų61.663%0.62532%0.323SS*.  trans-71.4148.1174.3-170.978.2000110.8G172 G173H170-G172 PolarHBondContact O-N 3.41Å; H170-G173 PolarHBondContact O-N 3.47Å
171P78.9Confident89.5Confident51 Ų5159 Ų5933%0.33132%0.316SS..THydrogen-bonded Turntrans-54.9137.7175.8-27.636.8000112.5G173P171-G173 PolarHBondContact O-N 2.92Å
172G73.5Confident89.6Confident46 Ų4660.5 Ų60.547%0.47433%0.325SS..THydrogen-bonded Turntrans71.88.6-17700000114.7H170H170-G172 PolarHBondContact O-N 3.41Å
173G81.4Confident89.8Confident24 Ų2458 Ų5825%0.24731%0.312CS..SBendtrans-70.5174.4170.100000113.7H170 P171 L175 S415H170-G173 PolarHBondContact O-N 3.47Å; P171-G173 PolarHBondContact O-N 2.92Å; G173-L175 CarbonylContact C-O 3.53Å; G173-S415 PolarHBondContact O-OG 2.96Å
174V85.4Confident90Very high59 Ų5951.5 Ų51.536%0.35828%0.284SS..SBendtrans-62.7-45.6173.4156.80000111.4F414 S415 S418 V600V174-F414 HydrophobicContact CG1-CD1 4.31Å; V174-F414 HydrophobicContact CG1-CE1 4.01Å; V174-S415 PolarHBondContact O-N 3.49Å; V174-S415 PolarHBondContact O-OG 3.27Å; V174-S418 VanDerWaalsContact CA-OG 3.31Å; V174-S418 WeakPolarHBondContact CA-OG 3.32Å; V174-S418 WeakPolarHBondContact O-CB 3.38Å; V174-S418 PolarHBondContact O-OG 2.74Å; V174-V600 HydrophobicContact CG2-CG1 4.01Å; V174-V600 HydrophobicContact CG2-CG2 4.43Å
175L89.5Confident90.1Very high59 Ų5952.6 Ų52.631%0.30929%0.289SS..BIsolated β-bridgetrans-82.9152.9176.2-58.7173.6000108.8L168 G173 I413 F414L168-L175 HydrophobicContact CD2-CB 4.15Å; L168-L175 HydrophobicContact CG-CB 4.24Å; G173-L175 CarbonylContact C-O 3.53Å; L175-I413 WeakPolarHBondContact CA-O 3.11Å; L175-I413 HydrophobicContact CD2-CG2 3.49Å; L175-I413 VanDerWaalsContact CD2-CG2 3.49Å; L175-F414 HydrophobicContact CD2-CE1 4.49Å
176A90.2Very high90.3Very high1 Ų150 Ų501%0.00827%0.273CS..  trans-60.5152.217200000110.7L168 S169 Y178 I413L168-A176 WeakPolarHBondContact CB-O 3.23Å; S169-A176 PolarHBondContact N-O 2.96Å; A176-Y178 VanDerWaalsContact CB-O 3.25Å; A176-Y178 WeakPolarHBondContact CB-O 3.44Å; A176-Y178 PolarHBondContact O-N 3.07Å; A176-I413 PolarHBondContact N-O 3.42Å
177E89.3Confident90.6Very high53 Ų5348.7 Ų48.725%0.24826%0.259CS..SBendtrans-64.2-35.2173.1176.6168.9-170.500111.6I162 R167 L168I162-E177 HydrophobicContact CD1-CG 4.17Å; R167-E177 HydrophobicContact CG-CG 3.92Å; R167-E177 WeakPolarHBondContact CG-O 3.33Å; R167-E177 IonicContact CZ-OE1 3.18Å; R167-E177 IonicContact NE-OE1 3.01Å; R167-E177 PolarHBondContact NE-OE1 2.88Å; R167-E177 IonicContact NH2-OE1 2.64Å; R167-E177 PolarHBondContact NH2-OE1 3.22Å; L168-E177 PolarHBondContact N-O 3.15Å
178Y91.5Very high90.8Very high13 Ų1346.7 Ų46.75%0.05126%0.257CS..SBendtrans-140.2155.7179.161.8-88.8000110.8T161 I162 A176T161-Y178 HydrophobicContact CG2-CD2 4.39Å; I162-Y178 HydrophobicContact CD1-CD1 4.4Å; A176-Y178 VanDerWaalsContact CB-O 3.25Å; A176-Y178 WeakPolarHBondContact CB-O 3.44Å; A176-Y178 PolarHBondContact O-N 3.07Å
179Y94.7Very high91Very high75 Ų7549.3 Ų49.329%0.29427%0.271SS..  trans-69.5126.7175-67.5-68.1000111.3V165 L168 F181 L412V165-Y179 HydrophobicContact CG1-CD2 3.7Å; V165-Y179 HydrophobicContact CG1-CE2 4.11Å; L168-Y179 HydrophobicContact CB-CE2 4.44Å; L168-Y179 HydrophobicContact CD1-CE1 4.02Å; L168-Y179 HydrophobicContact CD1-CE2 4.37Å; L168-Y179 WeakPolarHBondContact CD1-OH 3.47Å; L168-Y179 HydrophobicContact CD2-CD1 4.03Å; L168-Y179 HydrophobicContact CD2-CE1 3.75Å; L168-Y179 HydrophobicContact CG-CE1 4.38Å; Y179-F181 HydrophobicContact CG-CZ 4.48Å; Y179-F181 PolarHBondContact O-N 3.46Å; Y179-L412 WeakPolarHBondContact CA-O 3.31Å; Y179-L412 HydrophobicContact CD1-CD1 4.12Å; Y179-L412 HydrophobicContact CD1-CG 3.89Å; Y179-L412 HydrophobicContact CG-CD1 4.39Å
180D95.2Very high91.1Very high3 Ų348 Ų482%0.01626%0.261CS..  trans-93.876.8-176.6-170.82.5000112.7R143 S146 V182 G183 V184 L412R143-D180 VanDerWaalsContact NH1-CB 3.27Å; S146-D180 VanDerWaalsContact CB-OD1 3.25Å; S146-D180 WeakPolarHBondContact CB-OD1 3.27Å; S146-D180 WeakPolarHBondContact CB-OD2 3.32Å; S146-D180 VanDerWaalsContact OG-CG 3.27Å; S146-D180 PolarHBondContact OG-OD1 3.29Å; S146-D180 PolarHBondContact OG-OD2 2.62Å; D180-V182 PolarHBondContact O-N 3.26Å; D180-V182 PolarHBondContact OD1-N 2.91Å; D180-G183 PolarHBondContact O-N 3.32Å; D180-G183 PolarHBondContact OD1-N 2.69Å; D180-V184 WeakPolarHBondContact O-CG2 3.26Å; D180-V184 PolarHBondContact O-N 3.48Å; D180-L412 PolarHBondContact N-O 3.38Å
181F96.3Very high91.4Very high98 Ų9842 Ų4243%0.4323%0.234SC..Hα-helixtrans-63.5-31.2177.3-62.5-70.9000113T161 V165 Y179 V184 L185 L412T161-F181 HydrophobicContact CG2-CD2 4.23Å; T161-F181 HydrophobicContact CG2-CE2 4.06Å; V165-F181 HydrophobicContact CG1-CE2 4.4Å; V165-F181 HydrophobicContact CG1-CZ 4.39Å; V165-F181 HydrophobicContact CG2-CE2 4.01Å; V165-F181 HydrophobicContact CG2-CZ 4.49Å; Y179-F181 HydrophobicContact CG-CZ 4.48Å; Y179-F181 PolarHBondContact O-N 3.46Å; F181-V184 PolarHBondContact O-N 2.66Å; F181-L185 WeakPolarHBondContact O-CB 3.35Å; F181-L185 PolarHBondContact O-N 3.3Å; F181-L412 HydrophobicContact CD1-CD1 4.04Å; F181-L412 HydrophobicContact CE1-CD1 4.01Å
182V96.5Very high91.9Very high37 Ų3742 Ų4222%0.22424%0.239CC..Hα-helixtrans-69.8-45.9-179.3170.90000110.6W145 L149 I157 D180 V184 L185 L186W145-V182 HydrophobicContact CE3-CG1 4.26Å; W145-V182 HydrophobicContact CZ3-CG1 3.64Å; L149-V182 HydrophobicContact CD2-CG1 3.94Å; I157-V182 HydrophobicContact CG2-CG2 3.83Å; D180-V182 PolarHBondContact O-N 3.26Å; D180-V182 PolarHBondContact OD1-N 2.91Å; V182-V184 VanDerWaalsContact C-N 3.33Å; V182-V184 PolarHBondContact O-N 2.83Å; V182-L185 PolarHBondContact O-N 3.26Å; V182-L186 PolarHBondContact O-N 3.25Å
183G96.7Very high92.5Very high0 Ų043.9 Ų43.90%024%0.237CC..Hα-helixtrans-60.8-41.6174.100000112.3D180 L186 I187D180-G183 PolarHBondContact O-N 3.32Å; D180-G183 PolarHBondContact OD1-N 2.69Å; G183-L186 WeakPolarHBondContact O-CB 3.24Å; G183-L186 PolarHBondContact O-N 3.37Å; G183-I187 WeakPolarHBondContact O-CG1 3.46Å; G183-I187 PolarHBondContact O-N 3.11Å
184V97.8Very high92.6Very high25 Ų2543.1 Ų43.115%0.15223%0.228CC..Hα-helixtrans-62.3-47.4175.31700000112D180 F181 V182 L186 I187 I188 A408 T411 L412D180-V184 WeakPolarHBondContact O-CG2 3.26Å; D180-V184 PolarHBondContact O-N 3.48Å; F181-V184 PolarHBondContact O-N 2.66Å; V182-V184 VanDerWaalsContact C-N 3.33Å; V182-V184 PolarHBondContact O-N 2.83Å; V184-L186 VanDerWaalsContact C-N 3.27Å; V184-L186 PolarHBondContact O-N 2.67Å; V184-I187 PolarHBondContact O-N 3.26Å; V184-I188 HydrophobicContact CG1-CD1 3.83Å; V184-I188 HydrophobicContact CG1-CG1 4.5Å; V184-I188 WeakPolarHBondContact O-CG1 3.18Å; V184-I188 PolarHBondContact O-N 2.99Å; V184-A408 HydrophobicContact CG1-CB 4.03Å; V184-A408 HydrophobicContact CG2-CB 4.34Å; V184-A408 VanDerWaalsContact CG2-O 3.31Å; V184-A408 WeakPolarHBondContact CG2-O 3.29Å; V184-T411 HydrophobicContact CG2-CG2 4.43Å; V184-L412 HydrophobicContact CG2-CB 3.89Å; V184-L412 HydrophobicContact CG2-CD1 4.16Å
185L97.1Very high92.5Very high117 Ų11741.8 Ų41.861%0.61322%0.221SC*.Hα-helixtrans-59-41.9178.1179.763.3000111.2F181 V182 I188 L189F181-L185 WeakPolarHBondContact O-CB 3.35Å; F181-L185 PolarHBondContact O-N 3.3Å; V182-L185 PolarHBondContact O-N 3.26Å; L185-I188 PolarHBondContact O-N 2.79Å; L185-L189 WeakPolarHBondContact O-CB 3.31Å; L185-L189 PolarHBondContact O-N 3.25Å
186L96.2Very high91.9Very high15 Ų1542.7 Ų42.78%0.07923%0.231CC..Hα-helixtrans-61.2-45.3176.3-177.169.1000111.9W145 V182 G183 V184 I188 L189 L190 L362W145-L186 HydrophobicContact CB-CD2 4.01Å; W145-L186 HydrophobicContact CD2-CD2 3.45Å; W145-L186 VanDerWaalsContact CD2-CD2 3.45Å; W145-L186 HydrophobicContact CE3-CD2 3.62Å; W145-L186 HydrophobicContact CG-CD2 3.62Å; W145-L186 HydrophobicContact CH2-CD1 4.47Å; W145-L186 HydrophobicContact CZ2-CD1 4.36Å; W145-L186 HydrophobicContact CZ3-CD2 4.24Å; V182-L186 PolarHBondContact O-N 3.25Å; G183-L186 WeakPolarHBondContact O-CB 3.24Å; G183-L186 PolarHBondContact O-N 3.37Å; V184-L186 VanDerWaalsContact C-N 3.27Å; V184-L186 PolarHBondContact O-N 2.67Å; L186-I188 PolarHBondContact O-N 3.18Å; L186-L189 PolarHBondContact O-N 2.83Å; L186-L190 HydrophobicContact CD1-CD1 3.91Å; L186-L190 HydrophobicContact CD1-CG 4.03Å; L186-L190 HydrophobicContact CG-CD1 3.92Å; L186-L190 HydrophobicContact CG-CG 4.29Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 VanDerWaalsContact O-CG 3.32Å; L186-L190 WeakPolarHBondContact O-CG 3.2Å; L186-L190 PolarHBondContact O-N 2.75Å; L186-L362 HydrophobicContact CD2-CD1 3.43Å; L186-L362 VanDerWaalsContact CD2-CD1 3.43Å; L186-L362 HydrophobicContact CG-CD1 4.12Å
187I96.9Very high90.8Very high0 Ų043.8 Ų43.80%024%0.243CC..Hα-helixtrans-60.5-44.9177.5-72.4161.3000111.1I138 A142 G183 V184 S191 T404 T407 T411I138-I187 HydrophobicContact CG2-CG1 4.28Å; A142-I187 HydrophobicContact CB-CD1 3.56Å; A142-I187 HydrophobicContact CB-CG1 3.7Å; G183-I187 WeakPolarHBondContact O-CG1 3.46Å; G183-I187 PolarHBondContact O-N 3.11Å; V184-I187 PolarHBondContact O-N 3.26Å; I187-S191 WeakPolarHBondContact O-CB 3.35Å; I187-S191 PolarHBondContact O-N 2.59Å; I187-S191 PolarHBondContact O-OG 3.1Å; I187-T404 HydrophobicContact CG2-CG2 3.8Å; I187-T407 HydrophobicContact CD1-CG2 3.69Å; I187-T407 HydrophobicContact CG1-CG2 4.34Å; I187-T407 HydrophobicContact CG2-CG2 4.36Å; I187-T411 HydrophobicContact CD1-CG2 3.91Å; I187-T411 WeakPolarHBondContact CD1-OG1 3.27Å
188I95.8Very high89.4Confident88 Ų8843.8 Ų43.845%0.45125%0.246SC..Hα-helixtrans-64-44.1178.8-66.1169.6000110.7V184 L185 L186 S191 A192V184-I188 HydrophobicContact CG1-CD1 3.83Å; V184-I188 HydrophobicContact CG1-CG1 4.5Å; V184-I188 WeakPolarHBondContact O-CG1 3.18Å; V184-I188 PolarHBondContact O-N 2.99Å; L185-I188 PolarHBondContact O-N 2.79Å; L186-I188 PolarHBondContact O-N 3.18Å; I188-S191 WeakPolarHBondContact CA-OG 3.06Å; I188-S191 PolarHBondContact O-OG 3.5Å; I188-A192 WeakPolarHBondContact O-CB 3.31Å; I188-A192 PolarHBondContact O-N 3.35Å
189L93.7Very high87.4Confident101 Ų10155.1 Ų55.153%0.52929%0.289SS..Hα-helixtrans-62.1-50.5177.8-171.395000111.6L185 L186 A192 I193L185-L189 WeakPolarHBondContact O-CB 3.31Å; L185-L189 PolarHBondContact O-N 3.25Å; L186-L189 PolarHBondContact O-N 2.83Å; L189-A192 PolarHBondContact O-N 3.49Å; L189-I193 HydrophobicContact CD2-CD1 4.24Å; L189-I193 HydrophobicContact CG-CD1 4.15Å; L189-I193 WeakPolarHBondContact O-CG1 3.45Å; L189-I193 PolarHBondContact O-N 3.09Å
190L91.9Very high85.6Confident8 Ų854 Ų544%0.04230%0.301CS..Hα-helixtrans-71.2-32-176.7-65.9-176.3000112.6L186 I193 S194 I359 L362 I363 L366L186-L190 HydrophobicContact CD1-CD1 3.91Å; L186-L190 HydrophobicContact CD1-CG 4.03Å; L186-L190 HydrophobicContact CG-CD1 3.92Å; L186-L190 HydrophobicContact CG-CG 4.29Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 VanDerWaalsContact O-CG 3.32Å; L186-L190 WeakPolarHBondContact O-CG 3.2Å; L186-L190 PolarHBondContact O-N 2.75Å; L190-I193 HydrophobicContact CD2-CD1 4.15Å; L190-I193 PolarHBondContact O-N 2.98Å; L190-S194 WeakPolarHBondContact O-CB 3.46Å; L190-S194 PolarHBondContact O-N 3.36Å; L190-S194 PolarHBondContact O-OG 2.88Å; L190-I359 HydrophobicContact CD1-CG2 4.44Å; L190-I359 HydrophobicContact CD2-CG2 4.24Å; L190-L362 HydrophobicContact CD1-CB 3.62Å; L190-L362 HydrophobicContact CD1-CD1 3.76Å; L190-L362 HydrophobicContact CD1-CG 4.32Å; L190-I363 HydrophobicContact CD1-CG1 4.46Å; L190-I363 HydrophobicContact CD2-CD1 4.32Å; L190-I363 HydrophobicContact CD2-CG1 4.17Å; L190-L366 HydrophobicContact CB-CD1 3.57Å
191S91.6Very high84Confident9 Ų955.6 Ų55.66%0.06331%0.312CS..Hα-helixtrans-67.3-41.617358.50000111.5I187 I188 I193 S194 C195 T404I187-S191 WeakPolarHBondContact O-CB 3.35Å; I187-S191 PolarHBondContact O-N 2.59Å; I187-S191 PolarHBondContact O-OG 3.1Å; I188-S191 WeakPolarHBondContact CA-OG 3.06Å; I188-S191 PolarHBondContact O-OG 3.5Å; S191-I193 PolarHBondContact O-N 3.48Å; S191-S194 PolarHBondContact O-N 3.1Å; S191-C195 PolarHBondContact O-N 3.09Å; S191-C195 PolarHBondContact O-SG 3.42Å; S191-T404 WeakPolarHBondContact CB-OG1 3.5Å; S191-T404 VanDerWaalsContact OG-CG2 3.28Å; S191-T404 WeakPolarHBondContact OG-CG2 3.46Å
192A89Confident82.6Confident52 Ų5254.2 Ų54.243%0.4332%0.318SS..Hα-helixtrans-60.2-44.617300000111.7I188 L189 S194 C195 C196I188-A192 WeakPolarHBondContact O-CB 3.31Å; I188-A192 PolarHBondContact O-N 3.35Å; L189-A192 PolarHBondContact O-N 3.49Å; A192-S194 VanDerWaalsContact C-N 3.32Å; A192-S194 PolarHBondContact O-N 3.06Å; A192-C195 WeakPolarHBondContact O-CB 3.42Å; A192-C195 PolarHBondContact O-N 3.05Å; A192-C196 PolarHBondContact O-N 3.26Å; A192-C196 PolarHBondContact O-SG 3.07Å; A192-C196 VanDerWaalsContact O-SG 3.41Å
193I86.1Confident81.5Confident84 Ų8460.8 Ų60.843%0.43134%0.344SS..Hα-helixtrans-61-41.8174.9-68.2163.8000111.1L189 L190 S191 C195 C196L189-I193 HydrophobicContact CD2-CD1 4.24Å; L189-I193 HydrophobicContact CG-CD1 4.15Å; L189-I193 WeakPolarHBondContact O-CG1 3.45Å; L189-I193 PolarHBondContact O-N 3.09Å; L190-I193 HydrophobicContact CD2-CD1 4.15Å; L190-I193 PolarHBondContact O-N 2.98Å; S191-I193 PolarHBondContact O-N 3.48Å; I193-C195 VanDerWaalsContact C-N 3.31Å; I193-C195 PolarHBondContact O-N 3.46Å; I193-C196 PolarHBondContact O-N 3.26Å
194S82.8Confident80.4Confident9 Ų965.5 Ų65.56%0.06337%0.372CS..Hα-helixtrans-65.3-34.7179.2-58.70000112.2L190 S191 A192L190-S194 WeakPolarHBondContact O-CB 3.46Å; L190-S194 PolarHBondContact O-N 3.36Å; L190-S194 PolarHBondContact O-OG 2.88Å; S191-S194 PolarHBondContact O-N 3.1Å; A192-S194 VanDerWaalsContact C-N 3.32Å; A192-S194 PolarHBondContact O-N 3.06Å
195C82.8Confident79.2Confident31 Ų3164.8 Ų64.821%0.20937%0.368CS..Hα-helixtrans-66.4-33.4174.6-75.90000113.3S191 A192 I193 G197 T395 T400S191-C195 PolarHBondContact O-N 3.09Å; S191-C195 PolarHBondContact O-SG 3.42Å; A192-C195 WeakPolarHBondContact O-CB 3.42Å; A192-C195 PolarHBondContact O-N 3.05Å; I193-C195 VanDerWaalsContact C-N 3.31Å; I193-C195 PolarHBondContact O-N 3.46Å; C195-G197 PolarHBondContact O-N 3.02Å; C195-G197 VanDerWaalsContact O-N 3.08Å; C195-T395 PolarHBondContact O-OG1 3.06Å; C195-T400 VanDerWaalsContact SG-CG2 3.59Å
196C78.9Confident78.3Confident77 Ų7760.5 Ų60.552%0.5235%0.349SS..THydrogen-bonded Turntrans-72.88.5-179.7-690000114.7A192 I193 F393A192-C196 PolarHBondContact O-N 3.26Å; A192-C196 PolarHBondContact O-SG 3.07Å; A192-C196 VanDerWaalsContact O-SG 3.41Å; I193-C196 PolarHBondContact O-N 3.26Å; C196-F393 HydrophobicContact CB-CE2 4.46Å; C196-F393 VanDerWaalsContact O-CD1 3.24Å; C196-F393 WeakPolarHBondContact O-CD1 3.28Å; C196-F393 WeakPolarHBondContact O-CE1 3.38Å; C196-F393 WeakPolarHBondContact O-CE2 3.44Å; C196-F393 WeakPolarHBondContact O-CG 3.31Å; C196-F393 WeakPolarHBondContact O-CZ 3.3Å
197G66Low77.6Confident25 Ų2564.2 Ų64.226%0.25837%0.373SS..  trans82.3110.5174.500000112.6C195 R199C195-G197 PolarHBondContact O-N 3.02Å; C195-G197 VanDerWaalsContact O-N 3.08Å; G197-R199 PolarHBondContact O-N 3.46Å
198V59.4Low76.9Confident53 Ų5365.1 Ų65.132%0.32138%0.379SS..  trans-87.351.5-177.3-126.40000111.4G200 S201 I363 V367V198-G200 PolarHBondContact O-N 3.41Å; V198-S201 PolarHBondContact O-N 3.39Å; V198-I363 HydrophobicContact CG1-CG2 4.48Å; V198-V367 HydrophobicContact CG2-CG2 3.76Å
199R50.2Low76.3Confident251 Ų25161.3 Ų61.395%0.94736%0.359SS*.THydrogen-bonded Turntrans-68.8101.3172-88.6-177.9175.2165-1.3108.6G197G197-R199 PolarHBondContact O-N 3.46Å
200G56.8Low75.9Confident52 Ų5262.6 Ų62.654%0.53636%0.361SS..THydrogen-bonded Turntrans114.2-0.9-178.700000115V198 A202V198-G200 PolarHBondContact O-N 3.41Å; G200-A202 VanDerWaalsContact C-N 3.27Å; G200-A202 PolarHBondContact O-N 2.95Å
201S62.3Low75.6Confident36 Ų3664.8 Ų64.825%0.25238%0.375SS..Hα-helixtrans-57.8-38.9-177.6104.50000112.7V198 K203 V204 T205V198-S201 PolarHBondContact O-N 3.39Å; S201-K203 VanDerWaalsContact C-N 3.28Å; S201-K203 PolarHBondContact O-N 3.29Å; S201-K203 VanDerWaalsContact O-N 3.14Å; S201-V204 PolarHBondContact O-N 2.99Å; S201-T205 WeakPolarHBondContact O-CB 3.4Å; S201-T205 PolarHBondContact O-N 2.77Å; S201-T205 PolarHBondContact O-OG1 3.25Å
202A66.4Low75.4Confident68 Ų6864.6 Ų64.656%0.56237%0.373SS*.Hα-helixtrans-54.6-42-171.800000113.3G200 A206G200-A202 VanDerWaalsContact C-N 3.27Å; G200-A202 PolarHBondContact O-N 2.95Å; A202-A206 VanDerWaalsContact O-CB 3.23Å; A202-A206 WeakPolarHBondContact O-CB 3.36Å; A202-A206 PolarHBondContact O-N 2.87Å
203K72.6Confident75.6Confident176 Ų17663.4 Ų63.477%0.76536%0.36SS*.Hα-helixtrans-69.9-44.5178.3-69.1-175.2-180-179.20112S201 A206 V207S201-K203 VanDerWaalsContact C-N 3.28Å; S201-K203 PolarHBondContact O-N 3.29Å; S201-K203 VanDerWaalsContact O-N 3.14Å; K203-A206 PolarHBondContact O-N 3.45Å; K203-V207 WeakPolarHBondContact O-CG2 3.38Å; K203-V207 PolarHBondContact O-N 2.9Å
204V73.3Confident75.9Confident98 Ų9860.8 Ų60.859%0.59435%0.354SS*.Hα-helixtrans-65.1-46.9179.61780000110.2S201 A206 V207 S208S201-V204 PolarHBondContact O-N 2.99Å; V204-A206 PolarHBondContact O-N 3.49Å; V204-V207 PolarHBondContact O-N 2.94Å; V204-S208 PolarHBondContact O-N 3.05Å; V204-S208 PolarHBondContact O-OG 2.96Å
205T73.3Confident76.4Confident10 Ų1060.5 Ų60.56%0.06135%0.352CS..Hα-helixtrans-57.1-48.9175-55.70000110.3S201 V207 S208 I209 A360 T364S201-T205 WeakPolarHBondContact O-CB 3.4Å; S201-T205 PolarHBondContact O-N 2.77Å; S201-T205 PolarHBondContact O-OG1 3.25Å; T205-V207 PolarHBondContact O-N 3.26Å; T205-S208 PolarHBondContact O-N 2.8Å; T205-I209 HydrophobicContact CG2-CD1 3.9Å; T205-I209 VanDerWaalsContact O-CD1 3.27Å; T205-I209 WeakPolarHBondContact O-CD1 3.4Å; T205-I209 WeakPolarHBondContact O-CG1 3.48Å; T205-I209 PolarHBondContact O-N 2.93Å; T205-A360 HydrophobicContact CG2-CB 4.47Å; T205-T364 WeakPolarHBondContact CG2-OG1 3.29Å
206A77.6Confident77Confident27 Ų2759.1 Ų59.122%0.22334%0.342CS..Hα-helixtrans-57.3-45.5177.600000112.6A202 K203 V204 I209 F210A202-A206 VanDerWaalsContact O-CB 3.23Å; A202-A206 WeakPolarHBondContact O-CB 3.36Å; A202-A206 PolarHBondContact O-N 2.87Å; K203-A206 PolarHBondContact O-N 3.45Å; V204-A206 PolarHBondContact O-N 3.49Å; A206-I209 WeakPolarHBondContact O-CB 3.4Å; A206-I209 PolarHBondContact O-N 2.83Å; A206-F210 WeakPolarHBondContact O-CD2 3.34Å; A206-F210 PolarHBondContact O-N 3.17Å; A206-F210 VanDerWaalsContact O-N 3.11Å
207V82Confident77.8Confident94 Ų9458 Ų5857%0.5733%0.333SS*.Hα-helixtrans-60.4-47.5176.61710000111.2K203 V204 T205 I209 F210 V211K203-V207 WeakPolarHBondContact O-CG2 3.38Å; K203-V207 PolarHBondContact O-N 2.9Å; V204-V207 PolarHBondContact O-N 2.94Å; T205-V207 PolarHBondContact O-N 3.26Å; V207-I209 PolarHBondContact O-N 3.33Å; V207-F210 PolarHBondContact O-N 3.08Å; V207-V211 WeakPolarHBondContact O-CG2 3.07Å; V207-V211 PolarHBondContact O-N 3.26Å
208S82.4Confident79.2Confident19 Ų1960 Ų6013%0.13334%0.34CS..Hα-helixtrans-61.7-32.3178.4-64.50000113.1V204 T205 V211 N212V204-S208 PolarHBondContact O-N 3.05Å; V204-S208 PolarHBondContact O-OG 2.96Å; T205-S208 PolarHBondContact O-N 2.8Å; S208-V211 PolarHBondContact O-N 3.23Å; S208-N212 WeakPolarHBondContact O-CB 3.45Å; S208-N212 PolarHBondContact O-N 3.36Å
209I83.5Confident81Confident7 Ų757.5 Ų57.54%0.03633%0.325CS..Hα-helixtrans-67-46.4175.1-64.9155.9000110.8A52 L55 G56 T205 A206 V207 V211 N212 V213A52-I209 WeakPolarHBondContact O-CD1 3.29Å; L55-I209 HydrophobicContact CB-CG2 3.69Å; G56-I209 VanDerWaalsContact CA-CG1 3.45Å; T205-I209 HydrophobicContact CG2-CD1 3.9Å; T205-I209 VanDerWaalsContact O-CD1 3.27Å; T205-I209 WeakPolarHBondContact O-CD1 3.4Å; T205-I209 WeakPolarHBondContact O-CG1 3.48Å; T205-I209 PolarHBondContact O-N 2.93Å; A206-I209 WeakPolarHBondContact O-CB 3.4Å; A206-I209 PolarHBondContact O-N 2.83Å; V207-I209 PolarHBondContact O-N 3.33Å; I209-V211 VanDerWaalsContact C-N 3.26Å; I209-V211 PolarHBondContact O-N 2.94Å; I209-N212 WeakPolarHBondContact O-CB 3.23Å; I209-N212 PolarHBondContact O-N 3.16Å; I209-N212 VanDerWaalsContact O-N 3.12Å; I209-V213 HydrophobicContact CG2-CG2 4.46Å; I209-V213 WeakPolarHBondContact O-CG2 3.23Å; I209-V213 PolarHBondContact O-N 3.43Å
210F85.3Confident83.2Confident128 Ų12846 Ų4656%0.56128%0.283SS*.Hα-helixtrans-61.4-37.8175.9-75-66000111.7A206 V207 G214A206-F210 WeakPolarHBondContact O-CD2 3.34Å; A206-F210 PolarHBondContact O-N 3.17Å; A206-F210 VanDerWaalsContact O-N 3.11Å; V207-F210 PolarHBondContact O-N 3.08Å; F210-G214 PolarHBondContact O-N 3.48Å
211V86.3Confident85.1Confident55 Ų5548.2 Ų48.233%0.33328%0.282SS..Hα-helixtrans-60-48.8171.61720000110.6V207 S208 I209 V213 G214 V215 I356V207-V211 WeakPolarHBondContact O-CG2 3.07Å; V207-V211 PolarHBondContact O-N 3.26Å; S208-V211 PolarHBondContact O-N 3.23Å; I209-V211 VanDerWaalsContact C-N 3.26Å; I209-V211 PolarHBondContact O-N 2.94Å; V211-V213 PolarHBondContact O-N 2.91Å; V211-G214 PolarHBondContact O-N 2.82Å; V211-V215 HydrophobicContact CG1-CG2 4.23Å; V211-V215 WeakPolarHBondContact O-CG2 3.36Å; V211-V215 PolarHBondContact O-N 2.97Å; V211-I356 HydrophobicContact CG1-CG2 4.46Å
212N87.6Confident86.8Confident4 Ų447.5 Ų47.52%0.02127%0.274CS..Hα-helixtrans-62.2-44.6-178.8-165.427.3000112.6L59 Y64 S208 I209 G214 V215 L216L59-N212 PolarHBondContact O-ND2 2.9Å; Y64-N212 WeakPolarHBondContact CE2-OD1 3.46Å; Y64-N212 PolarHBondContact OH-OD1 3.49Å; S208-N212 WeakPolarHBondContact O-CB 3.45Å; S208-N212 PolarHBondContact O-N 3.36Å; I209-N212 WeakPolarHBondContact O-CB 3.23Å; I209-N212 PolarHBondContact O-N 3.16Å; I209-N212 VanDerWaalsContact O-N 3.12Å; N212-G214 VanDerWaalsContact C-N 3.34Å; N212-G214 PolarHBondContact O-N 3.34Å; N212-V215 PolarHBondContact O-N 2.96Å; N212-L216 PolarHBondContact O-N 3.42Å
213V92.4Very high88.2Confident28 Ų2844.2 Ų44.217%0.1725%0.247CC..Hα-helixtrans-60.9-43.9173.7170.60000110.9L59 I209 V211 L216 T217 L303L59-V213 HydrophobicContact CD1-CG2 3.51Å; I209-V213 HydrophobicContact CG2-CG2 4.46Å; I209-V213 WeakPolarHBondContact O-CG2 3.23Å; I209-V213 PolarHBondContact O-N 3.43Å; V211-V213 PolarHBondContact O-N 2.91Å; V213-L216 PolarHBondContact O-N 3.15Å; V213-T217 WeakPolarHBondContact O-CB 3.16Å; V213-T217 PolarHBondContact O-N 2.92Å; V213-T217 PolarHBondContact O-OG1 3.02Å; V213-L303 HydrophobicContact CB-CD1 4.46Å; V213-L303 HydrophobicContact CG1-CD1 3.89Å; V213-L303 HydrophobicContact CG1-CD2 4.47Å; V213-L303 HydrophobicContact CG2-CD1 4.1Å
214G92.5Very high89.4Confident29 Ų2939 Ų3930%0.29922%0.224SC..Hα-helixtrans-61.1-44.4176.800000112.3F210 V211 N212 T217 V218F210-G214 PolarHBondContact O-N 3.48Å; V211-G214 PolarHBondContact O-N 2.82Å; N212-G214 VanDerWaalsContact C-N 3.34Å; N212-G214 PolarHBondContact O-N 3.34Å; G214-T217 PolarHBondContact O-N 3.3Å; G214-V218 WeakPolarHBondContact O-CB 3.18Å; G214-V218 VanDerWaalsContact O-CG2 3.29Å; G214-V218 WeakPolarHBondContact O-CG2 3.27Å; G214-V218 PolarHBondContact O-N 3.46Å
215V94.1Very high90.5Very high3 Ų339 Ų392%0.01823%0.225CC..Hα-helixtrans-59.8-51177.3170.80000110.7V211 N212 T217 V218 T219 F349 V350V211-V215 HydrophobicContact CG1-CG2 4.23Å; V211-V215 WeakPolarHBondContact O-CG2 3.36Å; V211-V215 PolarHBondContact O-N 2.97Å; N212-V215 PolarHBondContact O-N 2.96Å; V215-T217 VanDerWaalsContact C-N 3.33Å; V215-T217 PolarHBondContact O-N 3.27Å; V215-V218 PolarHBondContact O-N 2.91Å; V215-T219 VanDerWaalsContact O-CB 3.27Å; V215-T219 WeakPolarHBondContact O-CB 3.36Å; V215-T219 PolarHBondContact O-N 2.9Å; V215-T219 PolarHBondContact O-OG1 3.23Å; V215-F349 HydrophobicContact CB-CE1 4.27Å; V215-F349 HydrophobicContact CG1-CE1 4.27Å; V215-F349 HydrophobicContact CG2-CE1 4.09Å; V215-F349 HydrophobicContact CG2-CZ 3.96Å; V215-V350 HydrophobicContact CG1-CG1 4.48Å
216L93.9Very high91.5Very high1 Ų142 Ų421%0.00524%0.235CC..Hα-helixtrans-60.8-41.3177.8-72.3173.1000112.4L59 I63 Y64 N212 V213 S220L59-L216 HydrophobicContact CD2-CD1 4.23Å; I63-L216 HydrophobicContact CG1-CD1 4.44Å; I63-L216 HydrophobicContact CG1-CD2 4.04Å; I63-L216 HydrophobicContact CG2-CD1 4.1Å; I63-L216 HydrophobicContact CG2-CD2 4.24Å; Y64-L216 HydrophobicContact CD1-CD2 4.33Å; Y64-L216 HydrophobicContact CE1-CD2 3.53Å; Y64-L216 HydrophobicContact CE1-CG 4.34Å; Y64-L216 WeakPolarHBondContact OH-CG 3.15Å; N212-L216 PolarHBondContact O-N 3.42Å; V213-L216 PolarHBondContact O-N 3.15Å; L216-S220 WeakPolarHBondContact O-CB 3.36Å; L216-S220 PolarHBondContact O-N 2.95Å; L216-S220 PolarHBondContact O-OG 3.06Å
217T96Very high92.3Very high54 Ų5442.8 Ų42.833%0.33124%0.239SC..Hα-helixtrans-65.5-50.9-179.6-55.30000111.3V213 G214 V215 T219 S220 I221 L303V213-T217 WeakPolarHBondContact O-CB 3.16Å; V213-T217 PolarHBondContact O-N 2.92Å; V213-T217 PolarHBondContact O-OG1 3.02Å; G214-T217 PolarHBondContact O-N 3.3Å; V215-T217 VanDerWaalsContact C-N 3.33Å; V215-T217 PolarHBondContact O-N 3.27Å; T217-T219 VanDerWaalsContact C-N 3.32Å; T217-T219 PolarHBondContact O-N 3.29Å; T217-S220 PolarHBondContact O-N 3.3Å; T217-I221 HydrophobicContact CG2-CD1 4.03Å; T217-I221 VanDerWaalsContact O-CG1 3.31Å; T217-I221 WeakPolarHBondContact O-CG1 3.35Å; T217-I221 PolarHBondContact O-N 3.3Å; T217-L303 WeakPolarHBondContact OG1-CD2 3.38Å
218V96.5Very high92.8Very high67 Ų6741.7 Ų41.741%0.40623%0.227SC..Hα-helixtrans-63.4-39.7179.1173.80000110.9G214 V215 I221 Y222 M346 F349G214-V218 WeakPolarHBondContact O-CB 3.18Å; G214-V218 VanDerWaalsContact O-CG2 3.29Å; G214-V218 WeakPolarHBondContact O-CG2 3.27Å; G214-V218 PolarHBondContact O-N 3.46Å; V215-V218 PolarHBondContact O-N 2.91Å; V218-I221 PolarHBondContact O-N 2.83Å; V218-Y222 WeakPolarHBondContact O-CB 3.36Å; V218-Y222 PolarHBondContact O-N 3.06Å; V218-M346 HydrophobicContact CG1-CE 4.14Å; V218-M346 HydrophobicContact CG1-SD 4.32Å; V218-F349 HydrophobicContact CB-CE1 3.91Å; V218-F349 HydrophobicContact CB-CZ 4.22Å; V218-F349 HydrophobicContact CG1-CE1 3.87Å; V218-F349 HydrophobicContact CG1-CZ 4.26Å; V218-F349 HydrophobicContact CG2-CZ 4.47Å
219T95.4Very high93.2Very high1 Ų145.6 Ų45.61%0.00625%0.25CC..Hα-helixtrans-62.2-45.5175.6-54.10000111.6V215 T217 I221 Y222 M223 F326 V350V215-T219 VanDerWaalsContact O-CB 3.27Å; V215-T219 WeakPolarHBondContact O-CB 3.36Å; V215-T219 PolarHBondContact O-N 2.9Å; V215-T219 PolarHBondContact O-OG1 3.23Å; T217-T219 VanDerWaalsContact C-N 3.32Å; T217-T219 PolarHBondContact O-N 3.29Å; T219-I221 PolarHBondContact O-N 3.43Å; T219-Y222 PolarHBondContact O-N 3.48Å; T219-M223 HydrophobicContact CG2-CE 3.85Å; T219-M223 HydrophobicContact CG2-CG 4.39Å; T219-M223 HydrophobicContact CG2-SD 4.07Å; T219-M223 WeakPolarHBondContact O-CB 3.35Å; T219-M223 WeakPolarHBondContact O-CG 3.43Å; T219-M223 PolarHBondContact O-N 3.49Å; T219-F326 HydrophobicContact CG2-CD1 3.85Å; T219-V350 HydrophobicContact CG2-CG2 3.82Å; T219-V350 WeakPolarHBondContact OG1-CG2 3.35Å
220S96.5Very high93.5Very high9 Ų951.8 Ų51.86%0.06328%0.278CS..Hα-helixtrans-61-45.8177.9-59.60000111.1L216 T217 Y222 M223 F224 S307L216-S220 WeakPolarHBondContact O-CB 3.36Å; L216-S220 PolarHBondContact O-N 2.95Å; L216-S220 PolarHBondContact O-OG 3.06Å; T217-S220 PolarHBondContact O-N 3.3Å; S220-Y222 PolarHBondContact O-N 3.34Å; S220-M223 PolarHBondContact O-N 3.5Å; S220-F224 WeakPolarHBondContact O-CB 3.26Å; S220-F224 WeakPolarHBondContact O-CD2 3.18Å; S220-F224 WeakPolarHBondContact O-CG 3.43Å; S220-F224 PolarHBondContact O-N 2.86Å; S220-S307 VanDerWaalsContact OG-CA 3.27Å; S220-S307 WeakPolarHBondContact OG-CA 3.45Å; S220-S307 WeakPolarHBondContact OG-CB 3.46Å; S220-S307 PolarHBondContact OG-OG 2.89Å
221I97.3Very high93.7Very high99 Ų9946.8 Ų46.851%0.50826%0.256SS..Hα-helixtrans-59.4-48.6176.8-66.7165.1000110.4T217 V218 T219 M223 F224 V225T217-I221 HydrophobicContact CG2-CD1 4.03Å; T217-I221 VanDerWaalsContact O-CG1 3.31Å; T217-I221 WeakPolarHBondContact O-CG1 3.35Å; T217-I221 PolarHBondContact O-N 3.3Å; V218-I221 PolarHBondContact O-N 2.83Å; T219-I221 PolarHBondContact O-N 3.43Å; I221-M223 PolarHBondContact O-N 3.37Å; I221-F224 PolarHBondContact O-N 3.48Å; I221-V225 WeakPolarHBondContact O-CG2 3.37Å; I221-V225 PolarHBondContact O-N 2.89Å
222Y97.2Very high93.8Very high20 Ų2045.4 Ų45.48%0.07825%0.247CC..Hα-helixtrans-57.9-47.9177.5-179.6-91.9000112.1V218 T219 S220 F224 V225 Y226 Y314 L330 G337 V342 R343 M346V218-Y222 WeakPolarHBondContact O-CB 3.36Å; V218-Y222 PolarHBondContact O-N 3.06Å; T219-Y222 PolarHBondContact O-N 3.48Å; S220-Y222 PolarHBondContact O-N 3.34Å; Y222-F224 VanDerWaalsContact C-N 3.32Å; Y222-F224 PolarHBondContact O-N 2.72Å; Y222-V225 PolarHBondContact O-N 3.47Å; Y222-Y226 HydrophobicContact CD1-CD2 4.4Å; Y222-Y226 HydrophobicContact CD2-CD2 4.17Å; Y222-Y226 AromaticContact CD2-CE2 3.97Å; Y222-Y226 HydrophobicContact CD2-CE2 3.97Å; Y222-Y226 HydrophobicContact CE1-CD2 4.02Å; Y222-Y226 HydrophobicContact CE1-CE2 4.48Å; Y222-Y226 AromaticContact CE2-CD2 3.79Å; Y222-Y226 HydrophobicContact CE2-CD2 3.79Å; Y222-Y226 AromaticContact CE2-CE2 3.45Å; Y222-Y226 HydrophobicContact CE2-CE2 3.45Å; Y222-Y226 VanDerWaalsContact CE2-CE2 3.45Å; Y222-Y226 HydrophobicContact CG-CD2 4.47Å; Y222-Y226 AromaticContact CZ-CD2 3.71Å; Y222-Y226 AromaticContact CZ-CE2 3.74Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.4Å; Y222-Y226 PolarHBondContact O-N 3.37Å; Y222-Y314 HydrophobicContact CD1-CE2 4.42Å; Y222-Y314 HydrophobicContact CE1-CE2 4Å; Y222-L330 HydrophobicContact CD1-CD2 4.04Å; Y222-L330 HydrophobicContact CE1-CD2 3.75Å; Y222-G337 PolarHBondContact OH-O 3.29Å; Y222-V342 HydrophobicContact CD2-CG1 4.45Å; Y222-V342 HydrophobicContact CE2-CG1 3.66Å; Y222-R343 WeakPolarHBondContact OH-CA 3.16Å; Y222-R343 WeakPolarHBondContact OH-CB 3.49Å; Y222-R343 PolarHBondContact OH-N 2.99Å; Y222-M346 HydrophobicContact CD1-CG 4.17Å; Y222-M346 HydrophobicContact CD2-CG 3.66Å; Y222-M346 HydrophobicContact CD2-SD 4.3Å; Y222-M346 HydrophobicContact CE1-CG 4.29Å; Y222-M346 HydrophobicContact CE2-CG 3.76Å; Y222-M346 HydrophobicContact CG-CE 4.07Å; Y222-M346 HydrophobicContact CG-CG 3.86Å; Y222-M346 HydrophobicContact CG-SD 4.36Å
223M96.9Very high93.6Very high0 Ų051.8 Ų51.80%027%0.271CS..Hα-helixtrans-64.4-35.8179.6-76-173.2175.600112.3T219 S220 I221 Y226 S227 A310 L311 Y314 F326 A329 L330T219-M223 HydrophobicContact CG2-CE 3.85Å; T219-M223 HydrophobicContact CG2-CG 4.39Å; T219-M223 HydrophobicContact CG2-SD 4.07Å; T219-M223 WeakPolarHBondContact O-CB 3.35Å; T219-M223 WeakPolarHBondContact O-CG 3.43Å; T219-M223 PolarHBondContact O-N 3.49Å; S220-M223 PolarHBondContact O-N 3.5Å; I221-M223 PolarHBondContact O-N 3.37Å; M223-Y226 CarbonylContact O-C 3.44Å; M223-S227 WeakPolarHBondContact O-CB 3.35Å; M223-S227 PolarHBondContact O-N 2.92Å; M223-S227 VanDerWaalsContact O-N 3.14Å; M223-A310 HydrophobicContact CB-CB 3.81Å; M223-L311 HydrophobicContact CE-CD1 4.04Å; M223-L311 HydrophobicContact SD-CB 4.28Å; M223-L311 HydrophobicContact SD-CD1 4.01Å; M223-Y314 HydrophobicContact CB-CD2 4.09Å; M223-Y314 HydrophobicContact CB-CG 4.02Å; M223-Y314 HydrophobicContact CE-CD1 4.14Å; M223-Y314 HydrophobicContact CE-CE1 4.43Å; M223-Y314 HydrophobicContact CG-CD1 4.09Å; M223-Y314 HydrophobicContact CG-CD2 3.96Å; M223-Y314 HydrophobicContact CG-CE2 4.5Å; M223-Y314 HydrophobicContact CG-CG 3.71Å; M223-Y314 HydrophobicContact SD-CD1 4.36Å; M223-Y314 HydrophobicContact SD-CG 4.36Å; M223-F326 HydrophobicContact CE-CB 4.18Å; M223-F326 HydrophobicContact CE-CD1 3.71Å; M223-F326 HydrophobicContact CE-CG 4.42Å; M223-F326 HydrophobicContact SD-CD1 3.82Å; M223-F326 HydrophobicContact SD-CE1 4.23Å; M223-A329 HydrophobicContact CE-CB 4.37Å; M223-L330 HydrophobicContact CE-CD2 4.31Å; M223-L330 HydrophobicContact CE-CG 4.03Å
224F96.9Very high93.2Very high65 Ų6553 Ų5329%0.28528%0.276SS..Hα-helixtrans-67.6-38.4172.3-78.3-55.6000113S220 I221 Y222 Y226 S227 L306 L309 A310 L313S220-F224 WeakPolarHBondContact O-CB 3.26Å; S220-F224 WeakPolarHBondContact O-CD2 3.18Å; S220-F224 WeakPolarHBondContact O-CG 3.43Å; S220-F224 PolarHBondContact O-N 2.86Å; I221-F224 PolarHBondContact O-N 3.48Å; Y222-F224 VanDerWaalsContact C-N 3.32Å; Y222-F224 PolarHBondContact O-N 2.72Å; F224-Y226 VanDerWaalsContact C-N 3.27Å; F224-Y226 PolarHBondContact O-N 2.98Å; F224-S227 VanDerWaalsContact O-CB 3.25Å; F224-S227 WeakPolarHBondContact O-CB 3.37Å; F224-S227 PolarHBondContact O-N 3.3Å; F224-S227 PolarHBondContact O-OG 2.81Å; F224-L306 HydrophobicContact CE2-CB 4.37Å; F224-L306 HydrophobicContact CZ-CD2 4.44Å; F224-L306 WeakPolarHBondContact CZ-O 3.08Å; F224-L309 HydrophobicContact CE1-CD2 4.19Å; F224-L309 HydrophobicContact CE1-CG 4.04Å; F224-L309 HydrophobicContact CZ-CB 4.32Å; F224-L309 HydrophobicContact CZ-CD2 4.2Å; F224-L309 HydrophobicContact CZ-CG 4.21Å; F224-A310 HydrophobicContact CD1-CB 4.1Å; F224-A310 HydrophobicContact CD2-CB 3.85Å; F224-A310 HydrophobicContact CE1-CB 3.92Å; F224-A310 HydrophobicContact CE2-CB 3.66Å; F224-A310 HydrophobicContact CG-CB 4.05Å; F224-A310 HydrophobicContact CZ-CB 3.69Å; F224-L313 HydrophobicContact CD1-CD1 4.23Å; F224-L313 HydrophobicContact CE1-CD1 3.96Å
225V96.1Very high92.4Very high100 Ų10054.9 Ų54.961%0.60628%0.282SS*.Hα-helixtrans-60.8-38.7178.21690000111.5I221 Y222I221-V225 WeakPolarHBondContact O-CG2 3.37Å; I221-V225 PolarHBondContact O-N 2.89Å; Y222-V225 PolarHBondContact O-N 3.47Å
226Y95.2Very high91.6Very high72 Ų7255.2 Ų55.228%0.28229%0.285SS..THydrogen-bonded Turntrans-103.528178.8-61.9-74.2000112.8Y222 M223 F224 G338 P339Y222-Y226 HydrophobicContact CD1-CD2 4.4Å; Y222-Y226 HydrophobicContact CD2-CD2 4.17Å; Y222-Y226 AromaticContact CD2-CE2 3.97Å; Y222-Y226 HydrophobicContact CD2-CE2 3.97Å; Y222-Y226 HydrophobicContact CE1-CD2 4.02Å; Y222-Y226 HydrophobicContact CE1-CE2 4.48Å; Y222-Y226 AromaticContact CE2-CD2 3.79Å; Y222-Y226 HydrophobicContact CE2-CD2 3.79Å; Y222-Y226 AromaticContact CE2-CE2 3.45Å; Y222-Y226 HydrophobicContact CE2-CE2 3.45Å; Y222-Y226 VanDerWaalsContact CE2-CE2 3.45Å; Y222-Y226 HydrophobicContact CG-CD2 4.47Å; Y222-Y226 AromaticContact CZ-CD2 3.71Å; Y222-Y226 AromaticContact CZ-CE2 3.74Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.4Å; Y222-Y226 PolarHBondContact O-N 3.37Å; M223-Y226 CarbonylContact O-C 3.44Å; F224-Y226 VanDerWaalsContact C-N 3.27Å; F224-Y226 PolarHBondContact O-N 2.98Å; Y226-G338 VanDerWaalsContact CD1-CA 3.47Å; Y226-P339 VanDerWaalsContact OH-CD 3.26Å; Y226-P339 WeakPolarHBondContact OH-CD 3.24Å
227S93.6Very high90.5Very high44 Ų4460 Ų6031%0.30832%0.316SS..  trans-78.3150.5-178.861.30000112.9M223 F224 L313M223-S227 WeakPolarHBondContact O-CB 3.35Å; M223-S227 PolarHBondContact O-N 2.92Å; M223-S227 VanDerWaalsContact O-N 3.14Å; F224-S227 VanDerWaalsContact O-CB 3.25Å; F224-S227 WeakPolarHBondContact O-CB 3.37Å; F224-S227 PolarHBondContact O-N 3.3Å; F224-S227 PolarHBondContact O-OG 2.81Å; S227-L313 CarbonylContact C-O 3.59Å; S227-L313 WeakPolarHBondContact CA-O 3.44Å
228K92.6Very high89.2Confident71 Ų7164.7 Ų64.731%0.30934%0.339SS..  trans-125.7121.5169.2-66.8-169.4174.8-173.20110.1E230 Y231 L313 N336K228-E230 PolarHBondContact O-N 3.29Å; K228-Y231 HydrophobicContact CB-CD2 4.01Å; K228-Y231 HydrophobicContact CB-CE1 4.49Å; K228-Y231 HydrophobicContact CB-CE2 3.92Å; K228-Y231 HydrophobicContact CB-CG 4.32Å; K228-Y231 HydrophobicContact CD-CE1 4.44Å; K228-Y231 HydrophobicContact CD-CE2 4.29Å; K228-Y231 HydrophobicContact CG-CE2 4.33Å; K228-Y231 PolarHBondContact O-N 2.82Å; K228-Y231 VanDerWaalsContact O-N 3.17Å; K228-L313 PolarHBondContact N-O 3.25Å; K228-N336 VanDerWaalsContact CE-CG 3.41Å; K228-N336 WeakPolarHBondContact CE-OD1 3.39Å; K228-N336 PolarHBondContact NZ-ND2 3.35Å; K228-N336 VanDerWaalsContact NZ-ND2 3.1Å; K228-N336 PolarHBondContact NZ-OD1 3.01Å
229T90.5Very high87.9Confident100 Ų10063.8 Ų63.861%0.61333%0.331SS*.G310 helixtrans-64.1-24.2179.351.80000112.9Y231 L232T229-Y231 PolarHBondContact O-N 3.03Å; T229-L232 WeakPolarHBondContact O-CB 3.39Å; T229-L232 PolarHBondContact O-N 3.28Å; T229-L232 VanDerWaalsContact O-N 3.13Å
230E89.9Confident86.4Confident137 Ų13770.3 Ų70.364%0.6437%0.371SS*.G310 helixtrans-56.8-30.2174.5-62.5173.7-171.100112.8K228 L232 Y233 I234K228-E230 PolarHBondContact O-N 3.29Å; E230-L232 PolarHBondContact O-N 2.95Å; E230-Y233 PolarHBondContact O-N 3.28Å; E230-I234 PolarHBondContact O-N 3.43Å
231Y90.1Very high85.1Confident23 Ų2371.7 Ų71.79%0.0938%0.379CS..G310 helixtrans-70.1-12.2-179.7-61.3-21.3000113.7K228 T229 Y233 I234 T312 L313 Y314 P316 N336K228-Y231 HydrophobicContact CB-CD2 4.01Å; K228-Y231 HydrophobicContact CB-CE1 4.49Å; K228-Y231 HydrophobicContact CB-CE2 3.92Å; K228-Y231 HydrophobicContact CB-CG 4.32Å; K228-Y231 HydrophobicContact CD-CE1 4.44Å; K228-Y231 HydrophobicContact CD-CE2 4.29Å; K228-Y231 HydrophobicContact CG-CE2 4.33Å; K228-Y231 PolarHBondContact O-N 2.82Å; K228-Y231 VanDerWaalsContact O-N 3.17Å; T229-Y231 PolarHBondContact O-N 3.03Å; Y231-Y233 VanDerWaalsContact C-N 3.34Å; Y231-I234 WeakPolarHBondContact O-CG2 3.21Å; Y231-T312 WeakPolarHBondContact CB-O 3.49Å; Y231-L313 VanDerWaalsContact CD2-O 3.26Å; Y231-L313 WeakPolarHBondContact CD2-O 3.45Å; Y231-Y314 WeakPolarHBondContact CE2-O 2.88Å; Y231-P316 HydrophobicContact CD1-CG 4.15Å; Y231-P316 HydrophobicContact CE1-CG 3.99Å; Y231-N336 PolarHBondContact OH-ND2 2.71Å; Y231-N336 VanDerWaalsContact OH-ND2 3.12Å
232L88.1Confident83.6Confident27 Ų2769.5 Ų69.514%0.14137%0.368CS..G310 helixtrans-75-23.4169.9-71.3169.3000113.4P77 T229 E230 F250 T312 L313P77-L232 HydrophobicContact CB-CD2 4.3Å; P77-L232 WeakPolarHBondContact CG-O 3.29Å; T229-L232 WeakPolarHBondContact O-CB 3.39Å; T229-L232 PolarHBondContact O-N 3.28Å; T229-L232 VanDerWaalsContact O-N 3.13Å; E230-L232 PolarHBondContact O-N 2.95Å; L232-F250 HydrophobicContact CD2-CE2 4.22Å; L232-T312 HydrophobicContact CD2-CG2 3.91Å; L232-L313 HydrophobicContact CD1-CD2 3.67Å; L232-L313 HydrophobicContact CD2-CD2 4.12Å; L232-L313 HydrophobicContact CG-CD2 3.53Å
233Y84.2Confident82.1Confident138 Ų13878 Ų7854%0.54141%0.406SS..SBendtrans-118.28.3-172.6-56-77.4000112.9E230 Y231 N249E230-Y233 PolarHBondContact O-N 3.28Å; Y231-Y233 VanDerWaalsContact C-N 3.34Å; Y233-N249 WeakPolarHBondContact O-CB 3.33Å; Y233-N249 PolarHBondContact O-ND2 3.23Å
234I83.1Confident80.7Confident53 Ų5385.8 Ų85.827%0.27244%0.44SS..PPolyproline II helixtrans-76.1127.2179-165.8170.6000111.1E230 Y231 W317 F318E230-I234 PolarHBondContact O-N 3.43Å; Y231-I234 WeakPolarHBondContact O-CG2 3.21Å; I234-W317 PolarHBondContact O-NE1 2.84Å; I234-W317 VanDerWaalsContact O-NE1 3.1Å; I234-F318 HydrophobicContact CD1-CE1 3.91Å; I234-F318 HydrophobicContact CD1-CZ 3.99Å; I234-F318 HydrophobicContact CG1-CE1 3.99Å; I234-F318 HydrophobicContact CG1-CZ 4.45Å; I234-F318 HydrophobicContact CG2-CE1 3.93Å
235T76.5Confident79.5Confident68 Ų6883.3 Ų83.342%0.41743%0.431SS..PPolyproline II helixtrans-86.9134175.1-40.50000109.7V241 N249T235-V241 HydrophobicContact CG2-CG2 3.99Å; T235-N249 PolarHBondContact OG1-OD1 2.59Å
236S76.6Confident78.4Confident11 Ų1183.4 Ų83.48%0.07743%0.433CS..PPolyproline II helixtrans-69.3134.9173174.40000110.1N238 I239S236-N238 VanDerWaalsContact C-N 3.26Å; S236-N238 PolarHBondContact O-N 3.47Å; S236-N238 PolarHBondContact OG-N 3.41Å; S236-I239 WeakPolarHBondContact OG-CG1 3.39Å
237P72.3Confident77.8Confident102 Ų10282.9 Ų82.966%0.66244%0.435SS*.SBendtrans-69.1-22.9178.126.3-33.2000113.3
238N68.5Low77.1Confident151 Ų15183.5 Ų83.581%0.80744%0.439SS*.SBendtrans-113.4-4.5-169-71-8.8000114.5S236S236-N238 VanDerWaalsContact C-N 3.26Å; S236-N238 PolarHBondContact O-N 3.47Å; S236-N238 PolarHBondContact OG-N 3.41Å
239I68Low76.7Confident48 Ų4882.8 Ų82.825%0.24644%0.438CS..SBendtrans-105.7125.7-176.4-62.1170.5000108.9S236 V241 F253 W317 F318S236-I239 WeakPolarHBondContact OG-CG1 3.39Å; I239-V241 PolarHBondContact O-N 2.79Å; I239-V241 VanDerWaalsContact O-N 3.11Å; I239-F253 HydrophobicContact CD1-CZ 4.44Å; I239-F253 HydrophobicContact CG2-CE1 4Å; I239-F253 HydrophobicContact CG2-CZ 4.13Å; I239-W317 HydrophobicContact CD1-CH2 3.6Å; I239-W317 HydrophobicContact CD1-CZ3 3.69Å; I239-F318 HydrophobicContact CD1-CB 4.39Å
240T64.7Low76.6Confident138 Ų13879.7 Ų79.785%0.84742%0.416SS*.  trans-67.3108.8172440000109.2
241V68.8Low76.5Confident39 Ų3973.9 Ų73.924%0.23639%0.39CS..  trans-71.5137.9176-178.70000109.6T235 I239 K243 P248 P252T235-V241 HydrophobicContact CG2-CG2 3.99Å; I239-V241 PolarHBondContact O-N 2.79Å; I239-V241 VanDerWaalsContact O-N 3.11Å; V241-K243 PolarHBondContact O-N 3.33Å; V241-K243 VanDerWaalsContact O-N 3.11Å; V241-P248 HydrophobicContact CB-CB 4.4Å; V241-P248 HydrophobicContact CG1-CB 3.25Å; V241-P248 WeakPolarHBondContact CG1-O 3.49Å; V241-P252 HydrophobicContact CG2-CB 4.4Å
242D66.8Low76.4Confident52 Ų5272.9 Ų72.928%0.27839%0.386SS..  trans-61.4114.4172.1-176.35000109.9F244 S245 P252D242-F244 PolarHBondContact O-N 3.08Å; D242-F244 PolarHBondContact OD1-N 2.87Å; D242-S245 VanDerWaalsContact O-CB 3.22Å; D242-S245 WeakPolarHBondContact O-CB 3.45Å; D242-S245 PolarHBondContact O-N 3.41Å; D242-P252 PolarHBondContact N-O 3.49Å
243K64.9Low76.3Confident199 Ų19974.2 Ų74.287%0.86539%0.39SS*.THydrogen-bonded Turntrans-62.3-22.3-179.5-69.9-178.8178.5179.30112.7V241V241-K243 PolarHBondContact O-N 3.33Å; V241-K243 VanDerWaalsContact O-N 3.11Å
244F67.8Low76.5Confident164 Ų16467.7 Ų67.772%0.71937%0.365SS*.THydrogen-bonded Turntrans-93.64.1178.5-58.1-75.6000112.9D242D242-F244 PolarHBondContact O-N 3.08Å; D242-F244 PolarHBondContact OD1-N 2.87Å
245S71.9Confident76.7Confident12 Ų1268.8 Ų68.88%0.08437%0.371CS..  trans-66.1135.3177.2-175.90000111.1D242 N247 L251D242-S245 VanDerWaalsContact O-CB 3.22Å; D242-S245 WeakPolarHBondContact O-CB 3.45Å; D242-S245 PolarHBondContact O-N 3.41Å; S245-N247 PolarHBondContact O-N 3.02Å; S245-N247 PolarHBondContact OG-O 3.23Å; S245-L251 WeakPolarHBondContact CB-O 3.49Å; S245-L251 WeakPolarHBondContact OG-CB 3.3Å; S245-L251 PolarHBondContact OG-O 3.49Å
246P72.9Confident77Confident102 Ų10268.8 Ų68.866%0.66237%0.372SS*.SBendtrans-57.4-31.2175.4-23.232.1000113.3I255P246-I255 HydrophobicContact CG-CG1 4.38Å
247N82.4Confident77.5Confident61 Ų6168.6 Ų68.633%0.32637%0.372SS..SBendtrans-145.895.4176.1-170.4-20.7000109.2S245 N249 F250 L251S245-N247 PolarHBondContact O-N 3.02Å; S245-N247 PolarHBondContact OG-O 3.23Å; N247-N249 PolarHBondContact O-N 2.97Å; N247-N249 PolarHBondContact OD1-N 3.46Å; N247-F250 HydrophobicContact CB-CB 4.21Å; N247-F250 PolarHBondContact O-N 3.11Å; N247-L251 WeakPolarHBondContact O-CA 3.34Å; N247-L251 PolarHBondContact O-N 3.29Å
248P78.4Confident78.4Confident58 Ų5864.6 Ų64.638%0.37735%0.345SS..THydrogen-bonded Turntrans-60.1-30.5-172.220.5-32000113.8V241 P252V241-P248 HydrophobicContact CB-CB 4.4Å; V241-P248 HydrophobicContact CG1-CB 3.25Å; V241-P248 WeakPolarHBondContact CG1-O 3.49Å; P248-P252 VanDerWaalsContact O-CA 3.28Å; P248-P252 WeakPolarHBondContact O-CA 3.36Å
249N83.7Confident79.4Confident55 Ų5559.3 Ų59.329%0.29432%0.316SS..THydrogen-bonded Turntrans-77.3-34.6-178.9-68.3-9.9000112.4Y233 T235 N247Y233-N249 WeakPolarHBondContact O-CB 3.33Å; Y233-N249 PolarHBondContact O-ND2 3.23Å; T235-N249 PolarHBondContact OG1-OD1 2.59Å; N247-N249 PolarHBondContact O-N 2.97Å; N247-N249 PolarHBondContact OD1-N 3.46Å
250F88.2Confident80.2Confident35 Ų3557.1 Ų57.115%0.15431%0.305CS..THydrogen-bonded Turntrans-92.4-32.6-178.1-177.6-110.7000113.1P77 A78 F80 L81 L232 N247 P252P77-F250 HydrophobicContact CB-CD2 4.42Å; P77-F250 WeakPolarHBondContact CD-O 3.47Å; P77-F250 HydrophobicContact CG-CD2 4.05Å; P77-F250 VanDerWaalsContact CG-O 3.28Å; P77-F250 WeakPolarHBondContact CG-O 3.4Å; A78-F250 HydrophobicContact CB-CD1 4.41Å; A78-F250 HydrophobicContact CB-CE1 3.88Å; A78-F250 HydrophobicContact CB-CE2 4.38Å; A78-F250 HydrophobicContact CB-CZ 3.86Å; F80-F250 AromaticContact CE1-CE2 3.83Å; F80-F250 HydrophobicContact CE1-CE2 3.83Å; F80-F250 AromaticContact CE1-CZ 3.75Å; F80-F250 HydrophobicContact CE1-CZ 3.75Å; F80-F250 HydrophobicContact CZ-CE2 4.11Å; F80-F250 AromaticContact CZ-CZ 3.72Å; F80-F250 HydrophobicContact CZ-CZ 3.72Å; L81-F250 HydrophobicContact CD1-CE1 3.64Å; L81-F250 HydrophobicContact CD1-CZ 3.78Å; L81-F250 HydrophobicContact CG-CZ 4.45Å; L232-F250 HydrophobicContact CD2-CE2 4.22Å; N247-F250 HydrophobicContact CB-CB 4.21Å; N247-F250 PolarHBondContact O-N 3.11Å; F250-P252 VanDerWaalsContact C-CD 3.46Å; F250-P252 WeakPolarHBondContact O-CD 3.43Å
251L89Confident81.4Confident16 Ų1650.5 Ų50.58%0.08427%0.265CS..  trans-123.970.6178.8-74164.1000109.2A78 S245 N247 F253 G254 I255 L258A78-L251 HydrophobicContact CB-CD2 3.5Å; A78-L251 HydrophobicContact CB-CG 4.29Å; S245-L251 WeakPolarHBondContact CB-O 3.49Å; S245-L251 WeakPolarHBondContact OG-CB 3.3Å; S245-L251 PolarHBondContact OG-O 3.49Å; N247-L251 WeakPolarHBondContact O-CA 3.34Å; N247-L251 PolarHBondContact O-N 3.29Å; L251-F253 PolarHBondContact O-N 2.7Å; L251-G254 PolarHBondContact O-N 3.22Å; L251-I255 HydrophobicContact CD1-CD1 4.06Å; L251-L258 HydrophobicContact CD2-CB 4.08Å; L251-L258 HydrophobicContact CD2-CD2 4.26Å
252P87.4Confident82.5Confident2 Ų248.9 Ų48.91%0.01326%0.255CS..THydrogen-bonded Turntrans-61.8-27.8-175.522.9-32.9000113.3V241 D242 P248 F250 W317V241-P252 HydrophobicContact CG2-CB 4.4Å; D242-P252 PolarHBondContact N-O 3.49Å; P248-P252 VanDerWaalsContact O-CA 3.28Å; P248-P252 WeakPolarHBondContact O-CA 3.36Å; F250-P252 VanDerWaalsContact C-CD 3.46Å; F250-P252 WeakPolarHBondContact O-CD 3.43Å; P252-W317 HydrophobicContact CB-CH2 3.97Å; P252-W317 HydrophobicContact CB-CZ2 4.04Å; P252-W317 HydrophobicContact CG-CH2 3.65Å; P252-W317 HydrophobicContact CG-CZ2 3.7Å; P252-W317 HydrophobicContact CG-CZ3 4.3Å
253F87.4Confident83.5Confident54 Ų5446.4 Ų46.424%0.23724%0.242CC..THydrogen-bonded Turntrans-101.511178.3-56.4-78.3000113.3N72 R74 I239 L251 G257 W317N72-F253 WeakPolarHBondContact O-CZ 3.21Å; R74-F253 WeakPolarHBondContact O-CB 3.33Å; R74-F253 WeakPolarHBondContact O-CD2 3.26Å; R74-F253 VanDerWaalsContact O-CG 3.27Å; R74-F253 WeakPolarHBondContact O-CG 3.43Å; I239-F253 HydrophobicContact CD1-CZ 4.44Å; I239-F253 HydrophobicContact CG2-CE1 4Å; I239-F253 HydrophobicContact CG2-CZ 4.13Å; L251-F253 PolarHBondContact O-N 2.7Å; F253-G257 PolarHBondContact O-N 2.99Å; F253-W317 HydrophobicContact CE2-CH2 4.27Å; F253-W317 AromaticContact CE2-CZ3 3.92Å; F253-W317 HydrophobicContact CE2-CZ3 3.92Å; F253-W317 HydrophobicContact CZ-CZ3 4.28Å
254G87.1Confident84.7Confident1 Ų137.6 Ų37.61%0.0120%0.204CC..Hα-helixtrans65.1-170.7-178.600000114.5L251 G257 L258L251-G254 PolarHBondContact O-N 3.22Å; G254-G257 PolarHBondContact O-N 3.1Å; G254-L258 PolarHBondContact O-N 2.93Å
255I86.8Confident85.8Confident76 Ų7629.8 Ų29.839%0.3917%0.17SC..Hα-helixtrans-62.7-39.1176.3-58.8-60.8000112.7P246 L251 G257 L258 I259P246-I255 HydrophobicContact CG-CG1 4.38Å; L251-I255 HydrophobicContact CD1-CD1 4.06Å; I255-G257 VanDerWaalsContact C-N 3.28Å; I255-G257 PolarHBondContact O-N 3.3Å; I255-L258 WeakPolarHBondContact O-CB 3.45Å; I255-L258 PolarHBondContact O-N 3.26Å; I255-L258 VanDerWaalsContact O-N 3.16Å; I255-I259 HydrophobicContact CG2-CD1 3.71Å; I255-I259 HydrophobicContact CG2-CG1 4.19Å; I255-I259 WeakPolarHBondContact O-CG1 3.26Å; I255-I259 PolarHBondContact O-N 3.49Å
256P83.9Confident86.8Confident69 Ų6929.2 Ų29.245%0.44817%0.166SC..Hα-helixtrans-60-37.9175.1-24.835.8000112.7I259 G260P256-I259 PolarHBondContact O-N 3.2Å; P256-G260 PolarHBondContact O-N 2.93Å
257G86.5Confident87.6Confident7 Ų724.5 Ų24.57%0.07214%0.135CC..Hα-helixtrans-63-42.6173.900000113.1R74 F253 G254 I255 G261R74-G257 CarbonylContact O-C 3.22Å; R74-G257 WeakPolarHBondContact O-CA 3.45Å; F253-G257 PolarHBondContact O-N 2.99Å; G254-G257 PolarHBondContact O-N 3.1Å; I255-G257 VanDerWaalsContact C-N 3.28Å; I255-G257 PolarHBondContact O-N 3.3Å; G257-G261 PolarHBondContact O-N 3.23Å
258L91.6Very high88.1Confident17 Ų1721.6 Ų21.69%0.08912%0.119CC..Hα-helixtrans-60.7-46.8175.3179.663.7000112.3A78 L81 A82 L85 L251 G254 I255 G261 T262A78-L258 HydrophobicContact CB-CD1 4.26Å; L81-L258 HydrophobicContact CB-CD1 3.97Å; A82-L258 HydrophobicContact CB-CD1 4.04Å; L85-L258 HydrophobicContact CD1-CD2 4.4Å; L85-L258 HydrophobicContact CD1-CG 4.39Å; L251-L258 HydrophobicContact CD2-CB 4.08Å; L251-L258 HydrophobicContact CD2-CD2 4.26Å; G254-L258 PolarHBondContact O-N 2.93Å; I255-L258 WeakPolarHBondContact O-CB 3.45Å; I255-L258 PolarHBondContact O-N 3.26Å; I255-L258 VanDerWaalsContact O-N 3.16Å; L258-G261 PolarHBondContact O-N 3.39Å; L258-T262 PolarHBondContact O-N 2.96Å; L258-T262 PolarHBondContact O-OG1 2.63Å
259I88.7Confident88.7Confident40 Ų4018.8 Ų18.821%0.20510%0.101CC..Hα-helixtrans-68.5-46.7-179.4-63.7173000110.5I255 P256 G261 T262 A263 F592 E596I255-I259 HydrophobicContact CG2-CD1 3.71Å; I255-I259 HydrophobicContact CG2-CG1 4.19Å; I255-I259 WeakPolarHBondContact O-CG1 3.26Å; I255-I259 PolarHBondContact O-N 3.49Å; P256-I259 PolarHBondContact O-N 3.2Å; I259-G261 VanDerWaalsContact C-N 3.27Å; I259-G261 PolarHBondContact O-N 2.88Å; I259-T262 WeakPolarHBondContact O-CA 3.16Å; I259-T262 VanDerWaalsContact O-CB 3.24Å; I259-T262 WeakPolarHBondContact O-CB 3.49Å; I259-T262 PolarHBondContact O-N 3.48Å; I259-A263 PolarHBondContact O-N 3.1Å; I259-F592 HydrophobicContact CD1-CE1 4.13Å; I259-F592 HydrophobicContact CD1-CZ 4.06Å; I259-F592 HydrophobicContact CG2-CD1 4.24Å; I259-F592 HydrophobicContact CG2-CE1 3.35Å; I259-F592 HydrophobicContact CG2-CZ 3.88Å; I259-E596 HydrophobicContact CG2-CG 3.96Å
260G85.7Confident89Confident2 Ų216.7 Ų16.72%0.0219%0.09CC..Hα-helixtrans-61.5-36.417600000112.5P256 T262 A263P256-G260 PolarHBondContact O-N 2.93Å; G260-T262 VanDerWaalsContact C-N 3.35Å; G260-A263 PolarHBondContact O-N 3.03Å
261G89.3Confident88.8Confident0 Ų015.4 Ų15.40%09%0.087CC..Hα-helixtrans-65.4-35.6171.200000113.3G257 L258 I259 A263 I264 C265G257-G261 PolarHBondContact O-N 3.23Å; L258-G261 PolarHBondContact O-N 3.39Å; I259-G261 VanDerWaalsContact C-N 3.27Å; I259-G261 PolarHBondContact O-N 2.88Å; G261-A263 VanDerWaalsContact C-N 3.34Å; G261-A263 PolarHBondContact O-N 3.29Å; G261-I264 PolarHBondContact O-N 2.8Å; G261-C265 WeakPolarHBondContact O-CB 3.28Å; G261-C265 PolarHBondContact O-N 3.42Å; G261-C265 PolarHBondContact O-SG 3.43Å; G261-C265 VanDerWaalsContact O-SG 3.34Å
262T92.2Very high88.6Confident5 Ų514.7 Ų14.73%0.0318%0.083CC..Hα-helixtrans-61.3-41.7176.6-590000111.7A82 L85 A86 L258 I259 G260 I264 C265 F266 L593A82-T262 WeakPolarHBondContact CA-OG1 3.3Å; L85-T262 HydrophobicContact CB-CG2 3.58Å; A86-T262 HydrophobicContact CB-CG2 4.07Å; L258-T262 PolarHBondContact O-N 2.96Å; L258-T262 PolarHBondContact O-OG1 2.63Å; I259-T262 WeakPolarHBondContact O-CA 3.16Å; I259-T262 VanDerWaalsContact O-CB 3.24Å; I259-T262 WeakPolarHBondContact O-CB 3.49Å; I259-T262 PolarHBondContact O-N 3.48Å; G260-T262 VanDerWaalsContact C-N 3.35Å; T262-I264 VanDerWaalsContact C-N 3.27Å; T262-I264 PolarHBondContact O-N 3.43Å; T262-C265 PolarHBondContact O-N 3.09Å; T262-F266 PolarHBondContact O-N 2.92Å; T262-L593 HydrophobicContact CG2-CD2 4.2Å
263A88.6Confident88.5Confident0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-59.3-39.3176.200000111.9I259 G260 G261 F266 S424 L593 L597I259-A263 PolarHBondContact O-N 3.1Å; G260-A263 PolarHBondContact O-N 3.03Å; G261-A263 VanDerWaalsContact C-N 3.34Å; G261-A263 PolarHBondContact O-N 3.29Å; A263-F266 WeakPolarHBondContact O-CB 3.41Å; A263-S424 PolarHBondContact O-OG 2.77Å; A263-L593 HydrophobicContact CB-CB 4.25Å; A263-L593 HydrophobicContact CB-CD2 4.05Å; A263-L597 HydrophobicContact CB-CD2 4.16Å
264I88.7Confident88.1Confident14 Ų1412.1 Ų12.17%0.0727%0.072CC..Hα-helixtrans-77.3-40.8178.1-57.3176.8000111.2L66 V70 R74 G261 T262 F266 N267 D421L66-I264 HydrophobicContact CD1-CG2 3.61Å; L66-I264 HydrophobicContact CD2-CG2 3.51Å; L66-I264 WeakPolarHBondContact CD2-O 3.34Å; L66-I264 HydrophobicContact CG-CG2 3.55Å; V70-I264 HydrophobicContact CG2-CB 3.71Å; V70-I264 HydrophobicContact CG2-CD1 4.42Å; V70-I264 HydrophobicContact CG2-CG2 3.35Å; R74-I264 HydrophobicContact CG-CD1 4.42Å; G261-I264 PolarHBondContact O-N 2.8Å; T262-I264 VanDerWaalsContact C-N 3.27Å; T262-I264 PolarHBondContact O-N 3.43Å; I264-F266 PolarHBondContact O-N 3.23Å; I264-N267 VanDerWaalsContact O-CB 3.23Å; I264-N267 WeakPolarHBondContact O-CB 3.26Å; I264-N267 PolarHBondContact O-N 3.29Å; I264-N267 PolarHBondContact O-ND2 2.87Å; I264-D421 WeakPolarHBondContact CD1-OD1 3.25Å; I264-D421 WeakPolarHBondContact CG1-OD1 3.16Å
265C91.7Very high87.8Confident0 Ų012.2 Ų12.20%07%0.072CC..Hα-helixtrans-60.5-27.3175.6-76.70000112.6A82 Y83 A86 G261 T262 N267 V268A82-C265 HydrophobicContact CB-CB 4.45Å; Y83-C265 HydrophobicContact CD1-CB 3.8Å; Y83-C265 HydrophobicContact CE1-CB 3.66Å; Y83-C265 HydrophobicContact CG-CB 4.32Å; A86-C265 HydrophobicContact CB-CB 4.07Å; G261-C265 WeakPolarHBondContact O-CB 3.28Å; G261-C265 PolarHBondContact O-N 3.42Å; G261-C265 PolarHBondContact O-SG 3.43Å; G261-C265 VanDerWaalsContact O-SG 3.34Å; T262-C265 PolarHBondContact O-N 3.09Å; C265-N267 PolarHBondContact O-N 2.88Å; C265-N267 VanDerWaalsContact O-N 3.11Å; C265-V268 PolarHBondContact O-N 3.43Å; C265-V268 VanDerWaalsContact O-N 3.12Å
266F91.6Very high87.5Confident0 Ų08.9 Ų8.90%06%0.056CC..G310 helixtrans-53.6-27.9172.8-172.1-101.3000112.9A86 V89 A90 T262 A263 I264 V268 F269 I270 T427 L428 Y431A86-F266 HydrophobicContact CB-CB 4.43Å; V89-F266 HydrophobicContact CB-CD2 4.23Å; V89-F266 HydrophobicContact CB-CE2 4.16Å; V89-F266 HydrophobicContact CG1-CD2 4.14Å; V89-F266 HydrophobicContact CG1-CE2 3.82Å; A90-F266 HydrophobicContact CB-CE2 4.03Å; T262-F266 PolarHBondContact O-N 2.92Å; A263-F266 WeakPolarHBondContact O-CB 3.41Å; I264-F266 PolarHBondContact O-N 3.23Å; F266-V268 PolarHBondContact O-N 3.18Å; F266-F269 PolarHBondContact O-N 3.12Å; F266-I270 HydrophobicContact CD1-CD1 4.17Å; F266-I270 HydrophobicContact CD1-CG1 4.03Å; F266-I270 HydrophobicContact CE1-CD1 4.4Å; F266-I270 HydrophobicContact CE1-CG1 4.04Å; F266-I270 PolarHBondContact O-N 3.29Å; F266-T427 HydrophobicContact CE1-CG2 4.28Å; F266-L428 HydrophobicContact CD1-CD2 4Å; F266-L428 HydrophobicContact CD1-CG 4.32Å; F266-L428 HydrophobicContact CE1-CD2 3.7Å; F266-L428 HydrophobicContact CE1-CG 4.22Å; F266-L428 HydrophobicContact CZ-CD2 3.98Å; F266-Y431 HydrophobicContact CE1-CD2 4.07Å; F266-Y431 AromaticContact CE1-CE2 3.82Å; F266-Y431 HydrophobicContact CE1-CE2 3.82Å; F266-Y431 AromaticContact CZ-CD2 3.7Å; F266-Y431 HydrophobicContact CZ-CD2 3.7Å; F266-Y431 AromaticContact CZ-CE2 3.55Å; F266-Y431 HydrophobicContact CZ-CE2 3.55Å
267N90.5Very high87.1Confident2 Ų26.7 Ų6.71%0.0114%0.041CC..G310 helixtrans-55.3-22176.2-74.6-65.6000114.7S62 L66 I264 C265 F269 I270 A420 M423 S424S62-N267 PolarHBondContact OG-O 3.47Å; L66-N267 HydrophobicContact CD2-CB 3.69Å; I264-N267 VanDerWaalsContact O-CB 3.23Å; I264-N267 WeakPolarHBondContact O-CB 3.26Å; I264-N267 PolarHBondContact O-N 3.29Å; I264-N267 PolarHBondContact O-ND2 2.87Å; C265-N267 PolarHBondContact O-N 2.88Å; C265-N267 VanDerWaalsContact O-N 3.11Å; N267-F269 VanDerWaalsContact C-N 3.31Å; N267-I270 WeakPolarHBondContact OD1-CD1 3.11Å; N267-A420 PolarHBondContact ND2-O 2.98Å; N267-A420 PolarHBondContact OD1-O 3.39Å; N267-M423 HydrophobicContact CB-CE 3.88Å; N267-M423 WeakPolarHBondContact OD1-CE 3.23Å; N267-S424 PolarHBondContact ND2-OG 2.92Å; N267-S424 PolarHBondContact OD1-OG 2.61Å
268V92.9Very high86.6Confident0 Ų06.6 Ų6.60%04%0.039CC..G310 helixtrans-76.6-21.6176-173.70000112.3M58 Y83 C265 F266 V300 T304M58-V268 CarbonylContact C-O 3.39Å; M58-V268 WeakPolarHBondContact CB-O 3.34Å; Y83-V268 HydrophobicContact CE1-CB 4.12Å; Y83-V268 HydrophobicContact CE1-CG2 3.52Å; C265-V268 PolarHBondContact O-N 3.43Å; C265-V268 VanDerWaalsContact O-N 3.12Å; F266-V268 PolarHBondContact O-N 3.18Å; V268-V300 HydrophobicContact CG1-CG1 3.83Å; V268-T304 HydrophobicContact CB-CG2 4.26Å; V268-T304 HydrophobicContact CG1-CG2 3.4Å; V268-T304 VanDerWaalsContact CG1-CG2 3.4Å
269F91.6Very high86Confident0 Ų05.8 Ų5.80%04%0.035CC..THydrogen-bonded Turntrans-92.9-7.4177.9-59.7-78.3000112.9Y83 A86 S87 A90 F266 N267 G271 F272 V297 V300 A301Y83-F269 HydrophobicContact CD1-CE2 4.44Å; A86-F269 HydrophobicContact CB-CD2 4.13Å; A86-F269 HydrophobicContact CB-CE2 3.81Å; S87-F269 VanDerWaalsContact CB-CZ 3.41Å; A90-F269 HydrophobicContact CB-CB 3.43Å; A90-F269 VanDerWaalsContact CB-CB 3.43Å; A90-F269 HydrophobicContact CB-CD1 3.72Å; A90-F269 HydrophobicContact CB-CD2 4Å; A90-F269 HydrophobicContact CB-CE1 4.5Å; A90-F269 HydrophobicContact CB-CG 3.43Å; A90-F269 VanDerWaalsContact CB-CG 3.43Å; F266-F269 PolarHBondContact O-N 3.12Å; N267-F269 VanDerWaalsContact C-N 3.31Å; F269-G271 PolarHBondContact O-N 2.99Å; F269-F272 WeakPolarHBondContact O-CD1 3.24Å; F269-F272 PolarHBondContact O-N 3.4Å; F269-V297 HydrophobicContact CD1-CG1 4.25Å; F269-V297 HydrophobicContact CE1-CG1 4.45Å; F269-V300 HydrophobicContact CD1-CB 4.32Å; F269-V300 HydrophobicContact CD1-CG1 3.86Å; F269-V300 HydrophobicContact CE1-CB 4.06Å; F269-V300 HydrophobicContact CE1-CG1 3.67Å; F269-V300 HydrophobicContact CZ-CG1 4.38Å; F269-A301 HydrophobicContact CE1-CB 4.06Å; F269-A301 HydrophobicContact CZ-CB 4.23Å
270I88.9Confident85.3Confident11 Ų115 Ų56%0.0563%0.03CC..THydrogen-bonded Turntrans-65132.9175.3-62.7-171.2000108.6E133 F266 N267 M423 T427E133-I270 HydrophobicContact CG-CG2 4.01Å; E133-I270 WeakPolarHBondContact OE1-CG2 3.01Å; F266-I270 HydrophobicContact CD1-CD1 4.17Å; F266-I270 HydrophobicContact CD1-CG1 4.03Å; F266-I270 HydrophobicContact CE1-CD1 4.4Å; F266-I270 HydrophobicContact CE1-CG1 4.04Å; F266-I270 PolarHBondContact O-N 3.29Å; N267-I270 WeakPolarHBondContact OD1-CD1 3.11Å; I270-M423 HydrophobicContact CB-CE 4.34Å; I270-M423 HydrophobicContact CD1-CE 3.98Å; I270-M423 HydrophobicContact CD1-CG 3.98Å; I270-M423 HydrophobicContact CG2-CE 4.35Å; I270-M423 HydrophobicContact CG2-CG 4.38Å; I270-M423 HydrophobicContact CG2-SD 4.17Å; I270-T427 HydrophobicContact CD1-CG2 4.03Å; I270-T427 HydrophobicContact CG1-CG2 4.03Å; I270-T427 HydrophobicContact CG2-CG2 4.28Å
271G83.9Confident85Confident8 Ų86.9 Ų6.98%0.0824%0.038CC..THydrogen-bonded Turntrans105.7-5-174.900000115.2S57 F269 D273 A274S57-G271 VanDerWaalsContact CB-O 3.31Å; S57-G271 WeakPolarHBondContact CB-O 3.46Å; S57-G271 PolarHBondContact OG-O 2.93Å; F269-G271 PolarHBondContact O-N 2.99Å; G271-D273 WeakPolarHBondContact CA-OD1 3.09Å; G271-D273 PolarHBondContact O-N 3.47Å; G271-A274 WeakPolarHBondContact O-CB 3.4Å; G271-A274 PolarHBondContact O-N 3.37Å
272F86.5Confident84.7Confident0 Ų06.9 Ų6.90%04%0.038CC..THydrogen-bonded Turntrans-59.2-30.8172.376.7-108.2000111.8M58 N93 Y97 F269 A274 I275 N293 V297 Y431M58-F272 HydrophobicContact CE-CB 4.19Å; M58-F272 HydrophobicContact CG-CB 4.25Å; M58-F272 HydrophobicContact SD-CB 3.67Å; N93-F272 HydrophobicContact CB-CE1 4.1Å; N93-F272 HydrophobicContact CB-CZ 3.95Å; Y97-F272 HydrophobicContact CD1-CE2 4.26Å; Y97-F272 AromaticContact CD2-CE2 3.92Å; Y97-F272 HydrophobicContact CD2-CE2 3.92Å; Y97-F272 AromaticContact CD2-CZ 3.98Å; Y97-F272 HydrophobicContact CD2-CZ 3.98Å; Y97-F272 HydrophobicContact CE2-CE2 4.49Å; Y97-F272 HydrophobicContact CE2-CZ 4.3Å; Y97-F272 AromaticContact CG-CE2 3.76Å; Y97-F272 HydrophobicContact CG-CE2 3.76Å; Y97-F272 HydrophobicContact CG-CZ 4.3Å; F269-F272 WeakPolarHBondContact O-CD1 3.24Å; F269-F272 PolarHBondContact O-N 3.4Å; F272-A274 PolarHBondContact O-N 3.23Å; F272-I275 VanDerWaalsContact O-CB 3.28Å; F272-I275 WeakPolarHBondContact O-CB 3.4Å; F272-I275 VanDerWaalsContact O-CG1 3.25Å; F272-I275 WeakPolarHBondContact O-CG1 3.23Å; F272-I275 PolarHBondContact O-N 3.11Å; F272-I275 VanDerWaalsContact O-N 3.11Å; F272-N293 WeakPolarHBondContact CB-OD1 2.98Å; F272-N293 VanDerWaalsContact CD2-OD1 3.23Å; F272-N293 WeakPolarHBondContact CD2-OD1 3.24Å; F272-V297 HydrophobicContact CB-CG2 4.12Å; F272-V297 HydrophobicContact CG-CG2 4.49Å; F272-Y431 HydrophobicContact CD1-CE2 4.37Å; F272-Y431 HydrophobicContact CE1-CD2 4.22Å; F272-Y431 HydrophobicContact CE1-CE1 4.31Å; F272-Y431 AromaticContact CE1-CE2 3.31Å; F272-Y431 HydrophobicContact CE1-CE2 3.31Å; F272-Y431 AromaticContact CE1-CZ 3.36Å; F272-Y431 VanDerWaalsContact CE1-OH 3.26Å; F272-Y431 WeakPolarHBondContact CE1-OH 3.28Å; F272-Y431 HydrophobicContact CZ-CD2 4.29Å; F272-Y431 AromaticContact CZ-CE1 3.96Å; F272-Y431 HydrophobicContact CZ-CE1 3.96Å; F272-Y431 AromaticContact CZ-CE2 3.66Å; F272-Y431 HydrophobicContact CZ-CE2 3.66Å; F272-Y431 AromaticContact CZ-CZ 3.45Å; F272-Y431 VanDerWaalsContact CZ-CZ 3.45Å
273D84.1Confident84.3Confident1 Ų111.7 Ų11.71%0.0056%0.059CC..THydrogen-bonded Turntrans-69.5-15.9178.769.3-46.9000112.3Y97 S109 G271 I275 S276 T277Y97-D273 HydrophobicContact CD1-CB 3.92Å; Y97-D273 HydrophobicContact CE1-CB 3.52Å; S109-D273 PolarHBondContact OG-OD2 2.89Å; G271-D273 WeakPolarHBondContact CA-OD1 3.09Å; G271-D273 PolarHBondContact O-N 3.47Å; D273-I275 PolarHBondContact O-N 3.23Å; D273-S276 WeakPolarHBondContact O-CA 3.42Å; D273-S276 WeakPolarHBondContact O-CB 3.47Å; D273-S276 PolarHBondContact O-N 2.86Å; D273-S276 PolarHBondContact O-OG 3.11Å; D273-T277 PolarHBondContact O-N 2.92Å
274A78.4Confident84.2Confident2 Ų216.5 Ų16.52%0.0178%0.084CC..Hα-helixtrans-56.5-33.216800000111.3Y53 G271 F272 S276 T277Y53-A274 HydrophobicContact CD1-CB 4.37Å; Y53-A274 HydrophobicContact CE1-CB 3.7Å; Y53-A274 WeakPolarHBondContact CE1-O 3.27Å; G271-A274 WeakPolarHBondContact O-CB 3.4Å; G271-A274 PolarHBondContact O-N 3.37Å; F272-A274 PolarHBondContact O-N 3.23Å; A274-S276 PolarHBondContact O-N 3.47Å; A274-T277 WeakPolarHBondContact O-CB 3.25Å; A274-T277 PolarHBondContact O-N 2.89Å; A274-T277 PolarHBondContact O-OG1 3.26Å
275I81.7Confident84Confident3 Ų316.1 Ų16.12%0.0158%0.083CC..Hα-helixtrans-57-38173.8-58.3171.7000110.7L50 F272 D273 T277 C278 L289 A292 N293 A296L50-I275 HydrophobicContact CB-CG2 4.23Å; L50-I275 HydrophobicContact CD2-CG2 4.21Å; F272-I275 VanDerWaalsContact O-CB 3.28Å; F272-I275 WeakPolarHBondContact O-CB 3.4Å; F272-I275 VanDerWaalsContact O-CG1 3.25Å; F272-I275 WeakPolarHBondContact O-CG1 3.23Å; F272-I275 PolarHBondContact O-N 3.11Å; F272-I275 VanDerWaalsContact O-N 3.11Å; D273-I275 PolarHBondContact O-N 3.23Å; I275-T277 VanDerWaalsContact C-N 3.33Å; I275-T277 PolarHBondContact O-N 3.38Å; I275-C278 PolarHBondContact O-N 3.35Å; I275-L289 HydrophobicContact CG2-CD2 4Å; I275-A292 HydrophobicContact CG2-CB 4.13Å; I275-N293 HydrophobicContact CD1-CB 4.32Å; I275-A296 HydrophobicContact CD1-CB 4.18Å
276S79.6Confident83.8Confident6 Ų617.4 Ų17.44%0.0429%0.092CC..Hα-helixtrans-71.7-26.4-18078.30000113S109 Y113 D273 A274 C278 A279S109-S276 PolarHBondContact OG-OG 2.98Å; Y113-S276 WeakPolarHBondContact OH-CB 3.49Å; D273-S276 WeakPolarHBondContact O-CA 3.42Å; D273-S276 WeakPolarHBondContact O-CB 3.47Å; D273-S276 PolarHBondContact O-N 2.86Å; D273-S276 PolarHBondContact O-OG 3.11Å; A274-S276 PolarHBondContact O-N 3.47Å; S276-C278 PolarHBondContact O-N 2.92Å; S276-A279 WeakPolarHBondContact O-CB 3.43Å; S276-A279 PolarHBondContact O-N 3.25Å; S276-A279 VanDerWaalsContact O-N 3.15Å
277T76Confident83.6Confident22 Ų2223.5 Ų23.514%0.13512%0.116CC..Hα-helixtrans-66.2-25.9173.971.60000112.5D273 A274 I275 A279D273-T277 PolarHBondContact O-N 2.92Å; A274-T277 WeakPolarHBondContact O-CB 3.25Å; A274-T277 PolarHBondContact O-N 2.89Å; A274-T277 PolarHBondContact O-OG1 3.26Å; I275-T277 VanDerWaalsContact C-N 3.33Å; I275-T277 PolarHBondContact O-N 3.38Å; T277-A279 VanDerWaalsContact C-N 3.3Å; T277-A279 PolarHBondContact O-N 3.14Å
278C75.9Confident83.7Confident5 Ų523.8 Ų23.83%0.03412%0.118CC..THydrogen-bonded Turntrans-87.910.3176.5-64.10000113.3L45 L50 Y53 I275 S276 E280 E281 A282L45-C278 HydrophobicContact CD1-CB 3.77Å; L50-C278 HydrophobicContact CD2-CB 3.74Å; Y53-C278 VanDerWaalsContact CE1-SG 3.53Å; I275-C278 PolarHBondContact O-N 3.35Å; S276-C278 PolarHBondContact O-N 2.92Å; C278-E280 PolarHBondContact O-N 3.45Å; C278-E281 PolarHBondContact O-N 3.46Å; C278-A282 PolarHBondContact O-N 3.02Å; C278-A282 VanDerWaalsContact O-N 3.15Å
279A79.3Confident83.5Confident0 Ų023.9 Ų23.90%012%0.119CC..THydrogen-bonded Turntrans-57.9-33.8-176.900000113.5P105 S276 T277 A282 L289P105-A279 HydrophobicContact CB-CB 4.21Å; S276-A279 WeakPolarHBondContact O-CB 3.43Å; S276-A279 PolarHBondContact O-N 3.25Å; S276-A279 VanDerWaalsContact O-N 3.15Å; T277-A279 VanDerWaalsContact C-N 3.3Å; T277-A279 PolarHBondContact O-N 3.14Å; A279-A282 PolarHBondContact O-N 3.15Å; A279-L289 HydrophobicContact CB-CD1 3.72Å; A279-L289 HydrophobicContact CB-CD2 4.39Å
280E75.1Confident83.5Confident24 Ų2424.2 Ų24.211%0.11212%0.121CC..THydrogen-bonded Turntrans-71.4-28.2177.8-66.4-167.9-173.600113.4T39 M41 P105 K106 A107 C278T39-E280 VanDerWaalsContact CB-OE2 3.31Å; T39-E280 WeakPolarHBondContact CB-OE2 3.1Å; T39-E280 HydrophobicContact CG2-CB 4.08Å; T39-E280 VanDerWaalsContact CG2-CD 3.42Å; T39-E280 HydrophobicContact CG2-CG 3.71Å; T39-E280 WeakPolarHBondContact CG2-OE2 3.45Å; M41-E280 HydrophobicContact CE-CB 3.44Å; M41-E280 VanDerWaalsContact CE-CB 3.44Å; M41-E280 HydrophobicContact CE-CG 4.03Å; M41-E280 WeakPolarHBondContact CE-OE2 3.48Å; P105-E280 VanDerWaalsContact O-CG 3.31Å; P105-E280 WeakPolarHBondContact O-CG 3.31Å; K106-E280 VanDerWaalsContact CA-OE1 3.23Å; K106-E280 WeakPolarHBondContact CA-OE1 3.24Å; A107-E280 HydrophobicContact CB-CG 4.44Å; A107-E280 PolarHBondContact N-OE1 3.33Å; C278-E280 PolarHBondContact O-N 3.45Å
281E79.1Confident83.7Confident42 Ų4231.2 Ų31.220%0.19615%0.146CC..THydrogen-bonded Turntrans-89.8-10.4179.4-64.9178.3-159.500112.1M41 R43 C44 L45 C278M41-E281 HydrophobicContact CB-CG 4.12Å; M41-E281 HydrophobicContact CE-CG 4.32Å; M41-E281 HydrophobicContact SD-CG 4.05Å; R43-E281 CarbonylContact C-O 3.44Å; R43-E281 VanDerWaalsContact CA-O 3.31Å; R43-E281 WeakPolarHBondContact CA-O 3.07Å; C44-E281 PolarHBondContact N-O 3Å; C44-E281 VanDerWaalsContact N-O 3.09Å; L45-E281 HydrophobicContact CD1-CB 3.63Å; L45-E281 HydrophobicContact CG-CB 3.94Å; L45-E281 PolarHBondContact N-O 3.46Å; C278-E281 PolarHBondContact O-N 3.46Å
282A83.6Confident84.1Confident0 Ų030.9 Ų30.90%014%0.143CC..BIsolated β-bridgetrans-73.1130.7179.800000111.8L50 C278 A279 N284 P285L50-A282 HydrophobicContact CD1-CB 3.97Å; C278-A282 PolarHBondContact O-N 3.02Å; C278-A282 VanDerWaalsContact O-N 3.15Å; A279-A282 PolarHBondContact O-N 3.15Å; A282-N284 PolarHBondContact O-N 2.79Å; A282-P285 HydrophobicContact CB-CB 4.31Å
283K83.8Confident84.3Confident105 Ų10531.2 Ų31.246%0.45715%0.145SC..SBendtrans-58.1-49.4177.6-74.1178.3-179.9174.20112.9R43 C44 L45 T46R43-K283 WeakPolarHBondContact O-CG 3.31Å; C44-K283 VanDerWaalsContact O-CE 3.29Å; C44-K283 WeakPolarHBondContact O-CE 3.36Å; L45-K283 PolarHBondContact O-N 3.22Å; T46-K283 HydrophobicContact CG2-CD 4.25Å
284N86.1Confident84.8Confident101 Ų10133.7 Ų33.754%0.5416%0.157SC..SBendtrans-13178.4-177.9-72.6-35.8000110.1A282 S286 Y287 S288A282-N284 PolarHBondContact O-N 2.79Å; N284-S286 VanDerWaalsContact C-N 3.3Å; N284-S286 PolarHBondContact O-N 3.12Å; N284-Y287 PolarHBondContact O-N 3.34Å; N284-S288 WeakPolarHBondContact O-CB 3.46Å; N284-S288 PolarHBondContact O-N 3.21Å; N284-S288 PolarHBondContact O-OG 3.03Å
285P85Confident85.6Confident7 Ų736.5 Ų36.55%0.04517%0.174CC..Hα-helixtrans-59.1-38.7-17020.2-31.1000113.1L37 P105 A282 Y287 L289L37-P285 HydrophobicContact CD2-CG 4.44Å; P105-P285 HydrophobicContact CB-CB 4.31Å; P105-P285 HydrophobicContact CB-CG 4.35Å; A282-P285 HydrophobicContact CB-CB 4.31Å; P285-Y287 PolarHBondContact O-N 3.03Å; P285-L289 HydrophobicContact CB-CD1 3.66Å; P285-L289 HydrophobicContact CB-CG 4.21Å; P285-L289 VanDerWaalsContact O-CB 3.3Å; P285-L289 WeakPolarHBondContact O-CB 3.39Å; P285-L289 VanDerWaalsContact O-CG 3.29Å; P285-L289 WeakPolarHBondContact O-CG 3.45Å; P285-L289 PolarHBondContact O-N 3.49Å
286S86.1Confident86.2Confident27 Ų2736.3 Ų36.319%0.18917%0.173CC..Hα-helixtrans-60.4-27.9-177.956.10000114.8N284N284-S286 VanDerWaalsContact C-N 3.3Å; N284-S286 PolarHBondContact O-N 3.12Å
287Y88.8Confident86.9Confident128 Ų12836.1 Ų36.150%0.50217%0.172SC..Hα-helixtrans-109.2-38.1179.9-65.7-76.6000112.3N284 P285 R291N284-Y287 PolarHBondContact O-N 3.34Å; P285-Y287 PolarHBondContact O-N 3.03Å; Y287-R291 WeakPolarHBondContact O-CB 3.45Å; Y287-R291 WeakPolarHBondContact O-CD 3.42Å; Y287-R291 VanDerWaalsContact O-CG 3.26Å; Y287-R291 WeakPolarHBondContact O-CG 3.5Å; Y287-R291 PolarHBondContact O-N 3.41Å
288S90.7Very high87.9Confident7 Ų738.7 Ų38.75%0.04918%0.184CC..Hα-helixtrans-73.4-40.2-176.2-66.30000112.4T47 N284 A292T47-S288 PolarHBondContact OG1-OG 2.74Å; N284-S288 WeakPolarHBondContact O-CB 3.46Å; N284-S288 PolarHBondContact O-N 3.21Å; N284-S288 PolarHBondContact O-OG 3.03Å; S288-A292 WeakPolarHBondContact O-CB 3.45Å; S288-A292 PolarHBondContact O-N 2.95Å
289L89Confident88.8Confident3 Ų341.1 Ų41.12%0.01620%0.196CC..Hα-helixtrans-65.3-51.3-176.9-62.3168.7000112.1L50 A101 I275 A279 P285 R291 A292 N293L50-L289 HydrophobicContact CD1-CD2 4.21Å; A101-L289 HydrophobicContact CB-CD1 4.06Å; I275-L289 HydrophobicContact CG2-CD2 4Å; A279-L289 HydrophobicContact CB-CD1 3.72Å; A279-L289 HydrophobicContact CB-CD2 4.39Å; P285-L289 HydrophobicContact CB-CD1 3.66Å; P285-L289 HydrophobicContact CB-CG 4.21Å; P285-L289 VanDerWaalsContact O-CB 3.3Å; P285-L289 WeakPolarHBondContact O-CB 3.39Å; P285-L289 VanDerWaalsContact O-CG 3.29Å; P285-L289 WeakPolarHBondContact O-CG 3.45Å; P285-L289 PolarHBondContact O-N 3.49Å; L289-R291 PolarHBondContact O-N 3.38Å; L289-A292 PolarHBondContact O-N 3.27Å; L289-N293 WeakPolarHBondContact O-CB 3.34Å; L289-N293 PolarHBondContact O-N 3.4Å
290P91.8Very high89.6Confident6 Ų641.1 Ų41.14%0.03920%0.196CC..Hα-helixtrans-64.6-41.4-178.7-1932000112.2C102 N293 I294 F574C102-P290 VanDerWaalsContact SG-CG 3.55Å; P290-N293 PolarHBondContact O-N 3.21Å; P290-I294 WeakPolarHBondContact O-CB 3.27Å; P290-I294 VanDerWaalsContact O-CG1 3.3Å; P290-I294 WeakPolarHBondContact O-CG1 3.16Å; P290-I294 PolarHBondContact O-N 3.09Å; P290-F574 HydrophobicContact CB-CB 4.41Å; P290-F574 HydrophobicContact CB-CD1 4.13Å; P290-F574 HydrophobicContact CB-CD2 3.94Å; P290-F574 HydrophobicContact CB-CE1 4.41Å; P290-F574 HydrophobicContact CB-CE2 4.23Å; P290-F574 HydrophobicContact CB-CG 3.88Å; P290-F574 HydrophobicContact CB-CZ 4.46Å; P290-F574 HydrophobicContact CG-CB 3.56Å; P290-F574 HydrophobicContact CG-CD1 3.89Å; P290-F574 HydrophobicContact CG-CD2 4.01Å; P290-F574 HydrophobicContact CG-CG 3.53Å
291R93.3Very high90.6Very high159 Ų15940.5 Ų40.560%0.620%0.195SC*.Hα-helixtrans-64.1-45.1177.6-71.9-179.7179.8178.50.4111.3T47 Y287 L289 N293 V295T47-R291 HydrophobicContact CG2-CB 4.05Å; Y287-R291 WeakPolarHBondContact O-CB 3.45Å; Y287-R291 WeakPolarHBondContact O-CD 3.42Å; Y287-R291 VanDerWaalsContact O-CG 3.26Å; Y287-R291 WeakPolarHBondContact O-CG 3.5Å; Y287-R291 PolarHBondContact O-N 3.41Å; L289-R291 PolarHBondContact O-N 3.38Å; R291-N293 VanDerWaalsContact C-N 3.33Å; R291-N293 PolarHBondContact O-N 3.36Å; R291-V295 VanDerWaalsContact O-CB 3.27Å; R291-V295 WeakPolarHBondContact O-CB 3.41Å; R291-V295 WeakPolarHBondContact O-CG2 3.34Å; R291-V295 PolarHBondContact O-N 2.85Å
292A92.7Very high91.5Very high0 Ų043 Ų430%021%0.208CC..Hα-helixtrans-62-4417900000111.4T47 L50 I51 I275 S288 L289 A296T47-A292 HydrophobicContact CG2-CB 4.31Å; L50-A292 HydrophobicContact CB-CB 3.61Å; I51-A292 HydrophobicContact CG1-CB 3.86Å; I275-A292 HydrophobicContact CG2-CB 4.13Å; S288-A292 WeakPolarHBondContact O-CB 3.45Å; S288-A292 PolarHBondContact O-N 2.95Å; L289-A292 PolarHBondContact O-N 3.27Å; A292-A296 WeakPolarHBondContact O-CB 3.25Å; A292-A296 PolarHBondContact O-N 3.14Å
293N91.4Very high92Very high8 Ų843.9 Ų43.94%0.04321%0.213CC..Hα-helixtrans-64.2-50.6-178.9-154.412.6000112.2S94 S98 F272 I275 L289 P290 R291 V295 A296 V297S94-N293 WeakPolarHBondContact CA-ND2 3.35Å; S94-N293 VanDerWaalsContact CB-ND2 3.34Å; S94-N293 WeakPolarHBondContact CB-ND2 3.28Å; S94-N293 PolarHBondContact O-ND2 2.85Å; S98-N293 PolarHBondContact OG-ND2 3.24Å; S98-N293 VanDerWaalsContact OG-ND2 3.12Å; F272-N293 WeakPolarHBondContact CB-OD1 2.98Å; F272-N293 VanDerWaalsContact CD2-OD1 3.23Å; F272-N293 WeakPolarHBondContact CD2-OD1 3.24Å; I275-N293 HydrophobicContact CD1-CB 4.32Å; L289-N293 WeakPolarHBondContact O-CB 3.34Å; L289-N293 PolarHBondContact O-N 3.4Å; P290-N293 PolarHBondContact O-N 3.21Å; R291-N293 VanDerWaalsContact C-N 3.33Å; R291-N293 PolarHBondContact O-N 3.36Å; N293-V295 PolarHBondContact O-N 3.07Å; N293-A296 PolarHBondContact O-N 3.3Å; N293-V297 WeakPolarHBondContact O-CB 3.36Å; N293-V297 VanDerWaalsContact O-CG2 3.31Å; N293-V297 WeakPolarHBondContact O-CG2 3.42Å; N293-V297 PolarHBondContact O-N 2.8Å
294I94.1Very high92.6Very high53 Ų5338.9 Ų38.927%0.27219%0.192SC..Hα-helixtrans-61.5-48.2178.7-66.8167.5000111L91 L95 P290 V297 I298L91-I294 HydrophobicContact CD1-CG1 4.32Å; L91-I294 HydrophobicContact CD1-CG2 4.25Å; L95-I294 HydrophobicContact CD2-CD1 3.63Å; L95-I294 HydrophobicContact CD2-CG1 3.85Å; P290-I294 WeakPolarHBondContact O-CB 3.27Å; P290-I294 VanDerWaalsContact O-CG1 3.3Å; P290-I294 WeakPolarHBondContact O-CG1 3.16Å; P290-I294 PolarHBondContact O-N 3.09Å; I294-V297 PolarHBondContact O-N 3.23Å; I294-I298 HydrophobicContact CG2-CD1 3.63Å; I294-I298 HydrophobicContact CG2-CG1 4.43Å; I294-I298 WeakPolarHBondContact O-CB 3.5Å; I294-I298 VanDerWaalsContact O-CG1 3.24Å; I294-I298 WeakPolarHBondContact O-CG1 3.49Å; I294-I298 PolarHBondContact O-N 3.44Å
295V94.8Very high93.1Very high60 Ų6035.2 Ų35.236%0.36417%0.173SC..Hα-helixtrans-65.3-43.2-178.1172.50000110.9I51 R291 N293 I298 I299I51-V295 HydrophobicContact CD1-CB 4.09Å; I51-V295 HydrophobicContact CD1-CG1 3.82Å; I51-V295 HydrophobicContact CG1-CB 4.33Å; I51-V295 HydrophobicContact CG1-CG1 4.28Å; I51-V295 HydrophobicContact CG2-CG1 4.32Å; R291-V295 VanDerWaalsContact O-CB 3.27Å; R291-V295 WeakPolarHBondContact O-CB 3.41Å; R291-V295 WeakPolarHBondContact O-CG2 3.34Å; R291-V295 PolarHBondContact O-N 2.85Å; N293-V295 PolarHBondContact O-N 3.07Å; V295-I298 PolarHBondContact O-N 3.36Å; V295-I299 HydrophobicContact CG1-CD1 3.67Å; V295-I299 HydrophobicContact CG1-CG1 4.34Å; V295-I299 WeakPolarHBondContact O-CB 3.4Å; V295-I299 VanDerWaalsContact O-CG1 3.27Å; V295-I299 WeakPolarHBondContact O-CG1 3.5Å; V295-I299 PolarHBondContact O-N 3.34Å
296A93.6Very high93.7Very high0 Ų038.7 Ų38.70%019%0.191CC..Hα-helixtrans-63.4-46.8178.700000111.3I51 L55 M58 I275 A292 N293 I298 I299 V300I51-A296 HydrophobicContact CG2-CB 4.49Å; L55-A296 HydrophobicContact CD2-CB 4.23Å; L55-A296 HydrophobicContact CG-CB 4.43Å; M58-A296 HydrophobicContact CE-CB 3.45Å; M58-A296 VanDerWaalsContact CE-CB 3.45Å; I275-A296 HydrophobicContact CD1-CB 4.18Å; A292-A296 WeakPolarHBondContact O-CB 3.25Å; A292-A296 PolarHBondContact O-N 3.14Å; N293-A296 PolarHBondContact O-N 3.3Å; A296-I298 VanDerWaalsContact C-N 3.35Å; A296-I298 PolarHBondContact O-N 2.93Å; A296-I299 PolarHBondContact O-N 2.73Å; A296-V300 WeakPolarHBondContact O-CG2 3.11Å; A296-V300 PolarHBondContact O-N 2.79Å
297V95.3Very high94.2Very high2 Ų237.4 Ų37.41%0.01218%0.182CC..Hα-helixtrans-60.8-42.7177170.80000111.3M58 A90 L91 F269 F272 N293 I294 V300 A301M58-V297 HydrophobicContact CE-CG2 4.44Å; M58-V297 HydrophobicContact SD-CG2 4.15Å; A90-V297 HydrophobicContact CB-CG1 4.04Å; L91-V297 HydrophobicContact CB-CG1 4.33Å; L91-V297 HydrophobicContact CD1-CG1 4.49Å; F269-V297 HydrophobicContact CD1-CG1 4.25Å; F269-V297 HydrophobicContact CE1-CG1 4.45Å; F272-V297 HydrophobicContact CB-CG2 4.12Å; F272-V297 HydrophobicContact CG-CG2 4.49Å; N293-V297 WeakPolarHBondContact O-CB 3.36Å; N293-V297 VanDerWaalsContact O-CG2 3.31Å; N293-V297 WeakPolarHBondContact O-CG2 3.42Å; N293-V297 PolarHBondContact O-N 2.8Å; I294-V297 PolarHBondContact O-N 3.23Å; V297-V300 PolarHBondContact O-N 2.94Å; V297-A301 VanDerWaalsContact O-CB 3.26Å; V297-A301 WeakPolarHBondContact O-CB 3.41Å; V297-A301 PolarHBondContact O-N 3.37Å
298I96.4Very high94.6Very high75 Ų7531.3 Ų31.339%0.38516%0.158SC..Hα-helixtrans-64.4-42.9177.8-70.9170.7000111.6I294 V295 A296 A301 I302I294-I298 HydrophobicContact CG2-CD1 3.63Å; I294-I298 HydrophobicContact CG2-CG1 4.43Å; I294-I298 WeakPolarHBondContact O-CB 3.5Å; I294-I298 VanDerWaalsContact O-CG1 3.24Å; I294-I298 WeakPolarHBondContact O-CG1 3.49Å; I294-I298 PolarHBondContact O-N 3.44Å; V295-I298 PolarHBondContact O-N 3.36Å; A296-I298 VanDerWaalsContact C-N 3.35Å; A296-I298 PolarHBondContact O-N 2.93Å; I298-A301 WeakPolarHBondContact O-CB 3.36Å; I298-A301 PolarHBondContact O-N 3.14Å; I298-I302 HydrophobicContact CG2-CD1 3.81Å; I298-I302 HydrophobicContact CG2-CG1 4.45Å; I298-I302 WeakPolarHBondContact O-CG1 3.48Å; I298-I302 PolarHBondContact O-N 3.3Å
299I95.3Very high94.9Very high56 Ų5633 Ų3329%0.28717%0.166SC..Hα-helixtrans-61.8-47.3177.3-71.3168000110.2I51 L55 V295 A296 A301 I302 L303I51-I299 HydrophobicContact CG2-CD1 4.29Å; L55-I299 HydrophobicContact CD1-CD1 4.34Å; L55-I299 HydrophobicContact CD1-CG2 4.15Å; L55-I299 HydrophobicContact CD2-CB 3.95Å; L55-I299 HydrophobicContact CD2-CG2 3.69Å; V295-I299 HydrophobicContact CG1-CD1 3.67Å; V295-I299 HydrophobicContact CG1-CG1 4.34Å; V295-I299 WeakPolarHBondContact O-CB 3.4Å; V295-I299 VanDerWaalsContact O-CG1 3.27Å; V295-I299 WeakPolarHBondContact O-CG1 3.5Å; V295-I299 PolarHBondContact O-N 3.34Å; A296-I299 PolarHBondContact O-N 2.73Å; I299-A301 VanDerWaalsContact C-N 3.31Å; I299-A301 PolarHBondContact O-N 3.42Å; I299-I302 PolarHBondContact O-N 2.98Å; I299-L303 HydrophobicContact CG2-CD1 3.73Å; I299-L303 HydrophobicContact CG2-CG 4.35Å; I299-L303 WeakPolarHBondContact O-CB 3.48Å; I299-L303 VanDerWaalsContact O-CG 3.31Å; I299-L303 WeakPolarHBondContact O-CG 3.3Å; I299-L303 PolarHBondContact O-N 3.03Å
300V95.3Very high95.3Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-61.3-41.7176.5175.80000110.9L55 M58 L59 V268 F269 A296 V297 I302 L303 T304L55-V300 HydrophobicContact CD2-CG2 3.59Å; M58-V300 HydrophobicContact CB-CG2 3.93Å; M58-V300 HydrophobicContact CE-CG2 3.88Å; M58-V300 HydrophobicContact SD-CG2 4.04Å; L59-V300 HydrophobicContact CD2-CB 4.45Å; L59-V300 HydrophobicContact CD2-CG1 4.02Å; L59-V300 HydrophobicContact CD2-CG2 3.99Å; L59-V300 HydrophobicContact CG-CG2 3.99Å; V268-V300 HydrophobicContact CG1-CG1 3.83Å; F269-V300 HydrophobicContact CD1-CB 4.32Å; F269-V300 HydrophobicContact CD1-CG1 3.86Å; F269-V300 HydrophobicContact CE1-CB 4.06Å; F269-V300 HydrophobicContact CE1-CG1 3.67Å; F269-V300 HydrophobicContact CZ-CG1 4.38Å; A296-V300 WeakPolarHBondContact O-CG2 3.11Å; A296-V300 PolarHBondContact O-N 2.79Å; V297-V300 PolarHBondContact O-N 2.94Å; V300-I302 PolarHBondContact O-N 3.36Å; V300-L303 PolarHBondContact O-N 3.47Å; V300-T304 HydrophobicContact CG1-CG2 3.86Å; V300-T304 VanDerWaalsContact O-CB 3.31Å; V300-T304 WeakPolarHBondContact O-CB 3.5Å; V300-T304 WeakPolarHBondContact O-CG2 3.5Å; V300-T304 PolarHBondContact O-N 2.97Å; V300-T304 PolarHBondContact O-OG1 3.25Å
301A96.7Very high95.5Very high12 Ų1232.5 Ų32.510%0.09916%0.163CC..Hα-helixtrans-58.8-48.3177.700000112.1S87 F269 V297 I298 I299 T304 T305S87-A301 VanDerWaalsContact CB-CB 3.4Å; F269-A301 HydrophobicContact CE1-CB 4.06Å; F269-A301 HydrophobicContact CZ-CB 4.23Å; V297-A301 VanDerWaalsContact O-CB 3.26Å; V297-A301 WeakPolarHBondContact O-CB 3.41Å; V297-A301 PolarHBondContact O-N 3.37Å; I298-A301 WeakPolarHBondContact O-CB 3.36Å; I298-A301 PolarHBondContact O-N 3.14Å; I299-A301 VanDerWaalsContact C-N 3.31Å; I299-A301 PolarHBondContact O-N 3.42Å; A301-T304 PolarHBondContact O-OG1 3.37Å; A301-T305 WeakPolarHBondContact O-CB 3.46Å; A301-T305 PolarHBondContact O-N 3.38Å; A301-T305 PolarHBondContact O-OG1 2.99Å
302I96.9Very high95.6Very high93 Ų9325 Ų2548%0.47713%0.134SC..Hα-helixtrans-64.2-50178.8-67.3167.2000110I298 I299 V300 T304 T305 L306I298-I302 HydrophobicContact CG2-CD1 3.81Å; I298-I302 HydrophobicContact CG2-CG1 4.45Å; I298-I302 WeakPolarHBondContact O-CG1 3.48Å; I298-I302 PolarHBondContact O-N 3.3Å; I299-I302 PolarHBondContact O-N 2.98Å; V300-I302 PolarHBondContact O-N 3.36Å; I302-T304 PolarHBondContact O-N 3.44Å; I302-T305 PolarHBondContact O-N 3.18Å; I302-L306 HydrophobicContact CG2-CD1 3.65Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 VanDerWaalsContact O-CB 3.31Å; I302-L306 WeakPolarHBondContact O-CB 3.48Å; I302-L306 VanDerWaalsContact O-CG 3.26Å; I302-L306 WeakPolarHBondContact O-CG 3.33Å; I302-L306 PolarHBondContact O-N 3.44Å
303L95.6Very high95.8Very high20 Ų2025.7 Ų25.711%0.10514%0.138CC..Hα-helixtrans-60-48.8-178.3-73.5172.2000111.8L59 V213 T217 I299 V300 S307L59-L303 HydrophobicContact CD1-CD1 4.08Å; V213-L303 HydrophobicContact CB-CD1 4.46Å; V213-L303 HydrophobicContact CG1-CD1 3.89Å; V213-L303 HydrophobicContact CG1-CD2 4.47Å; V213-L303 HydrophobicContact CG2-CD1 4.1Å; T217-L303 WeakPolarHBondContact OG1-CD2 3.38Å; I299-L303 HydrophobicContact CG2-CD1 3.73Å; I299-L303 HydrophobicContact CG2-CG 4.35Å; I299-L303 WeakPolarHBondContact O-CB 3.48Å; I299-L303 VanDerWaalsContact O-CG 3.31Å; I299-L303 WeakPolarHBondContact O-CG 3.3Å; I299-L303 PolarHBondContact O-N 3.03Å; V300-L303 PolarHBondContact O-N 3.47Å; L303-S307 WeakPolarHBondContact O-CB 3.45Å; L303-S307 PolarHBondContact O-N 3.43Å; L303-S307 PolarHBondContact O-OG 3.3Å
304T95.7Very high96Very high0 Ų025.3 Ų25.30%014%0.136CC..Hα-helixtrans-68.3-41.3-177.5540000112.2I63 V268 V300 A301 I302 S308I63-T304 HydrophobicContact CD1-CG2 4.02Å; I63-T304 HydrophobicContact CG1-CG2 4.44Å; V268-T304 HydrophobicContact CB-CG2 4.26Å; V268-T304 HydrophobicContact CG1-CG2 3.4Å; V268-T304 VanDerWaalsContact CG1-CG2 3.4Å; V300-T304 HydrophobicContact CG1-CG2 3.86Å; V300-T304 VanDerWaalsContact O-CB 3.31Å; V300-T304 WeakPolarHBondContact O-CB 3.5Å; V300-T304 WeakPolarHBondContact O-CG2 3.5Å; V300-T304 PolarHBondContact O-N 2.97Å; V300-T304 PolarHBondContact O-OG1 3.25Å; A301-T304 PolarHBondContact O-OG1 3.37Å; I302-T304 PolarHBondContact O-N 3.44Å; T304-S308 WeakPolarHBondContact O-CB 3.47Å; T304-S308 PolarHBondContact O-N 3.27Å; T304-S308 PolarHBondContact O-OG 3.16Å
305T97.1Very high96Very high23 Ų2324.5 Ų24.514%0.14113%0.13CC..Hα-helixtrans-64.2-47.8176.6-58.20000111F80 I84 A301 I302 S308 L309F80-T305 HydrophobicContact CB-CG2 4.28Å; I84-T305 HydrophobicContact CD1-CG2 3.78Å; I84-T305 HydrophobicContact CG1-CG2 3.59Å; A301-T305 WeakPolarHBondContact O-CB 3.46Å; A301-T305 PolarHBondContact O-N 3.38Å; A301-T305 PolarHBondContact O-OG1 2.99Å; I302-T305 PolarHBondContact O-N 3.18Å; T305-S308 PolarHBondContact O-OG 2.95Å; T305-L309 VanDerWaalsContact O-CB 3.31Å; T305-L309 WeakPolarHBondContact O-CB 3.35Å; T305-L309 PolarHBondContact O-N 3.41Å
306L97.4Very high95.9Very high81 Ų8122.2 Ų22.242%0.42412%0.116SC..Hα-helixtrans-67.6-42179-68.8179.1000112F224 I302 L309 A310F224-L306 HydrophobicContact CE2-CB 4.37Å; F224-L306 HydrophobicContact CZ-CD2 4.44Å; F224-L306 WeakPolarHBondContact CZ-O 3.08Å; I302-L306 HydrophobicContact CG2-CD1 3.65Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 VanDerWaalsContact O-CB 3.31Å; I302-L306 WeakPolarHBondContact O-CB 3.48Å; I302-L306 VanDerWaalsContact O-CG 3.26Å; I302-L306 WeakPolarHBondContact O-CG 3.33Å; I302-L306 PolarHBondContact O-N 3.44Å; L306-L309 PolarHBondContact O-N 3.42Å; L306-A310 VanDerWaalsContact O-CB 3.27Å; L306-A310 WeakPolarHBondContact O-CB 3.46Å; L306-A310 PolarHBondContact O-N 3.03Å
307S96.4Very high95.9Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-65.6-41179.2-55.20000111.7S220 L303 A310 L311S220-S307 VanDerWaalsContact OG-CA 3.27Å; S220-S307 WeakPolarHBondContact OG-CA 3.45Å; S220-S307 WeakPolarHBondContact OG-CB 3.46Å; S220-S307 PolarHBondContact OG-OG 2.89Å; L303-S307 WeakPolarHBondContact O-CB 3.45Å; L303-S307 PolarHBondContact O-N 3.43Å; L303-S307 PolarHBondContact O-OG 3.3Å; S307-A310 PolarHBondContact O-N 3.36Å; S307-L311 VanDerWaalsContact O-CB 3.3Å; S307-L311 WeakPolarHBondContact O-CB 3.35Å; S307-L311 PolarHBondContact O-N 2.99Å
308S96.6Very high95.7Very high0 Ų024.2 Ų24.20%013%0.125CC..Hα-helixtrans-69.3-40.3177.860.20000112F80 Y83 T304 T305 L311 T312F80-S308 WeakPolarHBondContact CA-OG 3.22Å; F80-S308 WeakPolarHBondContact CB-OG 3.43Å; Y83-S308 WeakPolarHBondContact CD2-OG 3.02Å; T304-S308 WeakPolarHBondContact O-CB 3.47Å; T304-S308 PolarHBondContact O-N 3.27Å; T304-S308 PolarHBondContact O-OG 3.16Å; T305-S308 PolarHBondContact O-OG 2.95Å; S308-L311 PolarHBondContact O-N 3.22Å; S308-T312 PolarHBondContact O-N 2.89Å; S308-T312 PolarHBondContact O-OG1 3.49Å; S308-T312 VanDerWaalsContact O-OG1 3.1Å
309L96.9Very high95.4Very high41 Ų4125 Ų2522%0.21513%0.129CC..Hα-helixtrans-63-45.2172.8179.362.3000111.8F80 F224 T305 L306 L311 T312 L313F80-L309 HydrophobicContact CB-CB 3.99Å; F80-L309 HydrophobicContact CD1-CD1 3.8Å; F80-L309 HydrophobicContact CD2-CD1 4.48Å; F80-L309 HydrophobicContact CE1-CD1 3.94Å; F80-L309 HydrophobicContact CG-CB 4.21Å; F80-L309 HydrophobicContact CG-CD1 4.09Å; F80-L309 HydrophobicContact CZ-CD1 4.34Å; F224-L309 HydrophobicContact CE1-CD2 4.19Å; F224-L309 HydrophobicContact CE1-CG 4.04Å; F224-L309 HydrophobicContact CZ-CB 4.32Å; F224-L309 HydrophobicContact CZ-CD2 4.2Å; F224-L309 HydrophobicContact CZ-CG 4.21Å; T305-L309 VanDerWaalsContact O-CB 3.31Å; T305-L309 WeakPolarHBondContact O-CB 3.35Å; T305-L309 PolarHBondContact O-N 3.41Å; L306-L309 PolarHBondContact O-N 3.42Å; L309-L311 VanDerWaalsContact C-N 3.3Å; L309-L311 PolarHBondContact O-N 3.5Å; L309-T312 PolarHBondContact O-N 3.47Å; L309-L313 HydrophobicContact CD1-CD1 4.02Å; L309-L313 HydrophobicContact CD1-CG 4.29Å; L309-L313 HydrophobicContact CG-CD1 4.02Å; L309-L313 WeakPolarHBondContact O-CB 3.21Å; L309-L313 WeakPolarHBondContact O-CG 3.35Å; L309-L313 PolarHBondContact O-N 2.99Å
310A97.3Very high95.3Very high0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-59.3-43.7176.700000111.1M223 F224 L306 S307 L313 Y314M223-A310 HydrophobicContact CB-CB 3.81Å; F224-A310 HydrophobicContact CD1-CB 4.1Å; F224-A310 HydrophobicContact CD2-CB 3.85Å; F224-A310 HydrophobicContact CE1-CB 3.92Å; F224-A310 HydrophobicContact CE2-CB 3.66Å; F224-A310 HydrophobicContact CG-CB 4.05Å; F224-A310 HydrophobicContact CZ-CB 3.69Å; L306-A310 VanDerWaalsContact O-CB 3.27Å; L306-A310 WeakPolarHBondContact O-CB 3.46Å; L306-A310 PolarHBondContact O-N 3.03Å; S307-A310 PolarHBondContact O-N 3.36Å; A310-L313 PolarHBondContact O-N 2.84Å; A310-Y314 WeakPolarHBondContact O-CB 3.36Å; A310-Y314 PolarHBondContact O-N 2.68Å
311L96.7Very high94.9Very high0 Ų024.4 Ų24.40%013%0.13CC..Hα-helixtrans-63.2-46.5178.2-178.661.7000112.1T67 M71 M223 S307 S308 L309 L313 Y314 Y315 I320 F326 A329T67-L311 HydrophobicContact CG2-CD2 3.95Å; M71-L311 HydrophobicContact CE-CB 4.18Å; M71-L311 HydrophobicContact CE-CD2 3.7Å; M71-L311 HydrophobicContact CE-CG 3.81Å; M223-L311 HydrophobicContact CE-CD1 4.04Å; M223-L311 HydrophobicContact SD-CB 4.28Å; M223-L311 HydrophobicContact SD-CD1 4.01Å; S307-L311 VanDerWaalsContact O-CB 3.3Å; S307-L311 WeakPolarHBondContact O-CB 3.35Å; S307-L311 PolarHBondContact O-N 2.99Å; S308-L311 PolarHBondContact O-N 3.22Å; L309-L311 VanDerWaalsContact C-N 3.3Å; L309-L311 PolarHBondContact O-N 3.5Å; L311-L313 VanDerWaalsContact C-N 3.26Å; L311-L313 PolarHBondContact O-N 3.49Å; L311-Y314 PolarHBondContact O-N 3.24Å; L311-Y315 PolarHBondContact O-N 2.96Å; L311-I320 HydrophobicContact CD1-CD1 4.25Å; L311-I320 HydrophobicContact CD2-CD1 4.38Å; L311-I320 HydrophobicContact CG-CD1 3.94Å; L311-F326 HydrophobicContact CB-CE1 4.1Å; L311-F326 HydrophobicContact CD1-CD1 4.28Å; L311-F326 HydrophobicContact CD2-CD1 4.48Å; L311-F326 HydrophobicContact CD2-CE1 4.27Å; L311-F326 HydrophobicContact CD2-CE2 4.47Å; L311-F326 HydrophobicContact CD2-CZ 4.26Å; L311-A329 HydrophobicContact CD1-CB 3.55Å
312T95.5Very high94.4Very high0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-58.8-38.2175.9-640000112.4M71 P77 Y231 L232 S308 L309M71-T312 WeakPolarHBondContact CE-OG1 3.43Å; M71-T312 PolarHBondContact SD-OG1 2.64Å; P77-T312 VanDerWaalsContact CA-CG2 3.48Å; P77-T312 HydrophobicContact CB-CG2 3.39Å; Y231-T312 WeakPolarHBondContact CB-O 3.49Å; L232-T312 HydrophobicContact CD2-CG2 3.91Å; S308-T312 PolarHBondContact O-N 2.89Å; S308-T312 PolarHBondContact O-OG1 3.49Å; S308-T312 VanDerWaalsContact O-OG1 3.1Å; L309-T312 PolarHBondContact O-N 3.47Å
313L96.1Very high93.8Very high15 Ų1522.9 Ų22.98%0.07912%0.12CC..Hα-helixtrans-82-15.7-180-70.9172000114F224 S227 K228 Y231 L232 L309 A310 L311F224-L313 HydrophobicContact CD1-CD1 4.23Å; F224-L313 HydrophobicContact CE1-CD1 3.96Å; S227-L313 CarbonylContact C-O 3.59Å; S227-L313 WeakPolarHBondContact CA-O 3.44Å; K228-L313 PolarHBondContact N-O 3.25Å; Y231-L313 VanDerWaalsContact CD2-O 3.26Å; Y231-L313 WeakPolarHBondContact CD2-O 3.45Å; L232-L313 HydrophobicContact CD1-CD2 3.67Å; L232-L313 HydrophobicContact CD2-CD2 4.12Å; L232-L313 HydrophobicContact CG-CD2 3.53Å; L309-L313 HydrophobicContact CD1-CD1 4.02Å; L309-L313 HydrophobicContact CD1-CG 4.29Å; L309-L313 HydrophobicContact CG-CD1 4.02Å; L309-L313 WeakPolarHBondContact O-CB 3.21Å; L309-L313 WeakPolarHBondContact O-CG 3.35Å; L309-L313 PolarHBondContact O-N 2.99Å; A310-L313 PolarHBondContact O-N 2.84Å; L311-L313 VanDerWaalsContact C-N 3.26Å; L311-L313 PolarHBondContact O-N 3.49Å
314Y96.1Very high93.5Very high0 Ų022.1 Ų22.10%012%0.117CC..Hα-helixtrans-91.8-34.8-177.8178.2-96.9000112.6Y222 M223 Y231 A310 L311 A329 L330 N333 G337Y222-Y314 HydrophobicContact CD1-CE2 4.42Å; Y222-Y314 HydrophobicContact CE1-CE2 4Å; M223-Y314 HydrophobicContact CB-CD2 4.09Å; M223-Y314 HydrophobicContact CB-CG 4.02Å; M223-Y314 HydrophobicContact CE-CD1 4.14Å; M223-Y314 HydrophobicContact CE-CE1 4.43Å; M223-Y314 HydrophobicContact CG-CD1 4.09Å; M223-Y314 HydrophobicContact CG-CD2 3.96Å; M223-Y314 HydrophobicContact CG-CE2 4.5Å; M223-Y314 HydrophobicContact CG-CG 3.71Å; M223-Y314 HydrophobicContact SD-CD1 4.36Å; M223-Y314 HydrophobicContact SD-CG 4.36Å; Y231-Y314 WeakPolarHBondContact CE2-O 2.88Å; A310-Y314 WeakPolarHBondContact O-CB 3.36Å; A310-Y314 PolarHBondContact O-N 2.68Å; L311-Y314 PolarHBondContact O-N 3.24Å; Y314-A329 HydrophobicContact CD1-CB 4.05Å; Y314-A329 HydrophobicContact CE1-CB 4.24Å; Y314-A329 WeakPolarHBondContact CE1-O 3.31Å; Y314-L330 HydrophobicContact CE1-CD2 4.24Å; Y314-N333 HydrophobicContact CE1-CB 3.76Å; Y314-N333 PolarHBondContact O-ND2 3.33Å; Y314-G337 WeakPolarHBondContact OH-CA 3.46Å; Y314-G337 PolarHBondContact OH-O 2.93Å
315Y94.8Very high93.4Very high36 Ų3622.1 Ų22.114%0.14112%0.117CC..SBendtrans-143.2140.6-177.6-167.5-124.3000111.3L311 W317 L319 I320 A329 N333L311-Y315 PolarHBondContact O-N 2.96Å; Y315-W317 PolarHBondContact O-N 3.47Å; Y315-L319 HydrophobicContact CD1-CB 4.22Å; Y315-L319 HydrophobicContact CE1-CB 3.39Å; Y315-L319 HydrophobicContact CE2-CD1 4.28Å; Y315-I320 HydrophobicContact CD1-CG1 3.69Å; Y315-A329 HydrophobicContact CD1-CB 4.05Å; Y315-A329 HydrophobicContact CG-CB 4.15Å; Y315-N333 HydrophobicContact CD2-CB 3.77Å; Y315-N333 HydrophobicContact CE2-CB 4.28Å
316P93.4Very high93.3Very high12 Ų1221.1 Ų21.18%0.07811%0.11CC..  trans-53.8126.8-178.3-27.635.9000112.4Y231 F318 L319Y231-P316 HydrophobicContact CD1-CG 4.15Å; Y231-P316 HydrophobicContact CE1-CG 3.99Å; P316-F318 HydrophobicContact CB-CD1 4.31Å; P316-F318 HydrophobicContact CB-CE1 3.8Å; P316-F318 HydrophobicContact CB-CE2 4.35Å; P316-F318 HydrophobicContact CB-CZ 3.81Å; P316-F318 PolarHBondContact O-N 3.48Å; P316-F318 VanDerWaalsContact O-N 3.07Å; P316-L319 HydrophobicContact CB-CD1 4.24Å; P316-L319 HydrophobicContact CB-CG 4.42Å; P316-L319 HydrophobicContact CG-CD1 4.3Å; P316-L319 PolarHBondContact O-N 2.93Å
317W92.2Very high93.2Very high2 Ų217.3 Ų17.31%0.0089%0.09CC..G310 helixtrans-56.8-31.3-169.564.4-94000114.3M71 I234 I239 P252 F253 Y315M71-W317 HydrophobicContact CG-CB 3.91Å; M71-W317 HydrophobicContact SD-CB 3.67Å; I234-W317 PolarHBondContact O-NE1 2.84Å; I234-W317 VanDerWaalsContact O-NE1 3.1Å; I239-W317 HydrophobicContact CD1-CH2 3.6Å; I239-W317 HydrophobicContact CD1-CZ3 3.69Å; P252-W317 HydrophobicContact CB-CH2 3.97Å; P252-W317 HydrophobicContact CB-CZ2 4.04Å; P252-W317 HydrophobicContact CG-CH2 3.65Å; P252-W317 HydrophobicContact CG-CZ2 3.7Å; P252-W317 HydrophobicContact CG-CZ3 4.3Å; F253-W317 HydrophobicContact CE2-CH2 4.27Å; F253-W317 AromaticContact CE2-CZ3 3.92Å; F253-W317 HydrophobicContact CE2-CZ3 3.92Å; F253-W317 HydrophobicContact CZ-CZ3 4.28Å; Y315-W317 PolarHBondContact O-N 3.47Å
318F91.3Very high93Very high43 Ų4318.2 Ų18.219%0.18910%0.097CC..G310 helixtrans-80.3-12.6-179.756.7-95000114.1N72 I234 I239 P316N72-F318 PolarHBondContact ND2-O 2.75Å; I234-F318 HydrophobicContact CD1-CE1 3.91Å; I234-F318 HydrophobicContact CD1-CZ 3.99Å; I234-F318 HydrophobicContact CG1-CE1 3.99Å; I234-F318 HydrophobicContact CG1-CZ 4.45Å; I234-F318 HydrophobicContact CG2-CE1 3.93Å; I239-F318 HydrophobicContact CD1-CB 4.39Å; P316-F318 HydrophobicContact CB-CD1 4.31Å; P316-F318 HydrophobicContact CB-CE1 3.8Å; P316-F318 HydrophobicContact CB-CE2 4.35Å; P316-F318 HydrophobicContact CB-CZ 3.81Å; P316-F318 PolarHBondContact O-N 3.48Å; P316-F318 VanDerWaalsContact O-N 3.07Å
319L91.5Very high92.9Very high91 Ų9118.2 Ų18.248%0.47610%0.097SC..G310 helixtrans-97.1-10.1175.9-64.3177.4000113.2Y315 P316 S321Y315-L319 HydrophobicContact CD1-CB 4.22Å; Y315-L319 HydrophobicContact CE1-CB 3.39Å; Y315-L319 HydrophobicContact CE2-CD1 4.28Å; P316-L319 HydrophobicContact CB-CD1 4.24Å; P316-L319 HydrophobicContact CB-CG 4.42Å; P316-L319 HydrophobicContact CG-CD1 4.3Å; P316-L319 PolarHBondContact O-N 2.93Å; L319-S321 PolarHBondContact O-N 3.24Å
320I92.1Very high92.8Very high4 Ų416.3 Ų16.32%0.0219%0.087CC..SBendtrans-67.6130.3-179.1-69.4168.3000110M71 L311 Y315M71-I320 HydrophobicContact CE-CD1 3.84Å; M71-I320 HydrophobicContact SD-CD1 3.31Å; M71-I320 WeakPolarHBondContact SD-CD1 3.35Å; L311-I320 HydrophobicContact CD1-CD1 4.25Å; L311-I320 HydrophobicContact CD2-CD1 4.38Å; L311-I320 HydrophobicContact CG-CD1 3.94Å; Y315-I320 HydrophobicContact CD1-CG1 3.69Å
321S87.4Confident92.7Very high40 Ų4020.3 Ų20.328%0.2810%0.104SC..  trans-66.9138.7175.9-179.20000111.4L319 E323 S328L319-S321 PolarHBondContact O-N 3.24Å; S321-E323 PolarHBondContact O-N 3.33Å; S321-E323 PolarHBondContact OG-N 3.29Å; S321-E323 VanDerWaalsContact OG-N 3.13Å; S321-S328 VanDerWaalsContact CB-CB 3.49Å; S321-S328 VanDerWaalsContact CB-OG 3.29Å; S321-S328 WeakPolarHBondContact CB-OG 3.31Å; S321-S328 PolarHBondContact N-OG 3.3Å
322T85.3Confident92.4Very high21 Ų2121.8 Ų21.813%0.12912%0.119CC..SBendtrans-76-8.4172620000113.1V65 A69 N72V65-T322 WeakPolarHBondContact CG1-O 3.26Å; A69-T322 HydrophobicContact CB-CG2 4.27Å; N72-T322 HydrophobicContact CB-CG2 4.21Å
323E84.6Confident92.3Very high52 Ų5222.1 Ų22.124%0.24312%0.121CC..SBendtrans-102.2-32.8-177.1-66.6-58.1153.900111.8V65 S147 M148 S321V65-E323 WeakPolarHBondContact CG1-O 3.18Å; V65-E323 WeakPolarHBondContact CG2-O 3.46Å; S147-E323 WeakPolarHBondContact OG-CB 3.31Å; S147-E323 PolarHBondContact OG-O 2.94Å; S147-E323 PolarHBondContact OG-OE2 3.42Å; M148-E323 VanDerWaalsContact CE-O 3.24Å; M148-E323 WeakPolarHBondContact CE-O 3.34Å; S321-E323 PolarHBondContact O-N 3.33Å; S321-E323 PolarHBondContact OG-N 3.29Å; S321-E323 VanDerWaalsContact OG-N 3.13Å
324S89.2Confident92Very high4 Ų425.7 Ų25.73%0.02814%0.144CC..  trans-15180.8-178.459.70000113.7M148 T151 F326 S328M148-S324 VanDerWaalsContact CE-CA 3.5Å; M148-S324 VanDerWaalsContact CE-CB 3.46Å; T151-S324 WeakPolarHBondContact CG2-OG 3.41Å; T151-S324 WeakPolarHBondContact OG1-CB 3.33Å; T151-S324 PolarHBondContact OG1-OG 3.19Å; S324-F326 PolarHBondContact O-N 2.66Å; S324-S328 WeakPolarHBondContact O-CB 3.41Å; S324-S328 PolarHBondContact O-N 3.14Å; S324-S328 PolarHBondContact O-OG 3.49Å
325S93.6Very high91.6Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-65.4-50.2-162.8-40.80000113.3Y64 V65 G68 S328 A329Y64-S325 WeakPolarHBondContact O-CB 3.4Å; Y64-S325 PolarHBondContact O-N 3.22Å; Y64-S325 PolarHBondContact O-OG 2.88Å; V65-S325 PolarHBondContact O-OG 3.19Å; G68-S325 WeakPolarHBondContact CA-OG 3.42Å; G68-S325 PolarHBondContact N-OG 2.92Å; S325-S328 PolarHBondContact O-OG 3.04Å; S325-A329 WeakPolarHBondContact O-CB 3.47Å; S325-A329 PolarHBondContact O-N 3.31Å
326F95.1Very high91.3Very high2 Ų234.1 Ų34.11%0.00919%0.19CC..Hα-helixtrans-73-42.9-179.1-65.3-89.3000112.5I63 Y64 T219 M223 L311 S324 A329 L330 V350I63-F326 HydrophobicContact CD1-CE2 4.46Å; I63-F326 HydrophobicContact CD1-CZ 4.37Å; I63-F326 HydrophobicContact CG1-CE2 4.22Å; I63-F326 HydrophobicContact CG1-CZ 4.4Å; I63-F326 WeakPolarHBondContact O-CE2 3.34Å; Y64-F326 AromaticContact CD1-CD2 3.88Å; Y64-F326 HydrophobicContact CD1-CD2 3.88Å; Y64-F326 HydrophobicContact CD1-CE2 4.34Å; T219-F326 HydrophobicContact CG2-CD1 3.85Å; M223-F326 HydrophobicContact CE-CB 4.18Å; M223-F326 HydrophobicContact CE-CD1 3.71Å; M223-F326 HydrophobicContact CE-CG 4.42Å; M223-F326 HydrophobicContact SD-CD1 3.82Å; M223-F326 HydrophobicContact SD-CE1 4.23Å; L311-F326 HydrophobicContact CB-CE1 4.1Å; L311-F326 HydrophobicContact CD1-CD1 4.28Å; L311-F326 HydrophobicContact CD2-CD1 4.48Å; L311-F326 HydrophobicContact CD2-CE1 4.27Å; L311-F326 HydrophobicContact CD2-CE2 4.47Å; L311-F326 HydrophobicContact CD2-CZ 4.26Å; S324-F326 PolarHBondContact O-N 2.66Å; F326-A329 PolarHBondContact O-N 3.15Å; F326-L330 WeakPolarHBondContact O-CG 3.31Å; F326-L330 PolarHBondContact O-N 3.15Å; F326-V350 HydrophobicContact CB-CG1 4.13Å
327L94.7Very high91.1Very high0 Ų033.5 Ų33.50%019%0.187CC..Hα-helixtrans-66.7-43.7179.7-69-179000112.1M148 T151 L152 A329 L330 K331 F347 V350M148-L327 HydrophobicContact CB-CD1 4.39Å; M148-L327 HydrophobicContact SD-CD1 3.68Å; M148-L327 HydrophobicContact SD-CG 4.22Å; T151-L327 HydrophobicContact CG2-CB 3.72Å; T151-L327 HydrophobicContact CG2-CD1 4.07Å; L152-L327 HydrophobicContact CG-CD1 4.34Å; L327-A329 VanDerWaalsContact C-N 3.33Å; L327-A329 PolarHBondContact O-N 3.5Å; L327-L330 PolarHBondContact O-N 3.46Å; L327-K331 WeakPolarHBondContact O-CB 3.42Å; L327-K331 PolarHBondContact O-N 3.48Å; L327-F347 HydrophobicContact CB-CD2 4.31Å; L327-F347 HydrophobicContact CB-CE2 3.92Å; L327-F347 HydrophobicContact CD2-CD2 3.9Å; L327-F347 HydrophobicContact CD2-CE2 4.04Å; L327-F347 HydrophobicContact CD2-CG 4.43Å; L327-F347 VanDerWaalsContact CD2-O 3.23Å; L327-F347 WeakPolarHBondContact CD2-O 3.38Å; L327-F347 HydrophobicContact CG-CE2 4.48Å; L327-V350 HydrophobicContact CD2-CB 4.05Å; L327-V350 HydrophobicContact CD2-CG1 4.09Å
328S92Very high91.1Very high20 Ų2034.4 Ų34.414%0.1420%0.196CC..Hα-helixtrans-64.2-38.5176.965.10000111.9S321 S324 S325 K331 G332S321-S328 VanDerWaalsContact CB-CB 3.49Å; S321-S328 VanDerWaalsContact CB-OG 3.29Å; S321-S328 WeakPolarHBondContact CB-OG 3.31Å; S321-S328 PolarHBondContact N-OG 3.3Å; S324-S328 WeakPolarHBondContact O-CB 3.41Å; S324-S328 PolarHBondContact O-N 3.14Å; S324-S328 PolarHBondContact O-OG 3.49Å; S325-S328 PolarHBondContact O-OG 3.04Å; S328-K331 PolarHBondContact O-N 3.05Å; S328-G332 PolarHBondContact O-N 3.49Å
329A95.1Very high91.2Very high0 Ų035.7 Ų35.70%021%0.209CC..Hα-helixtrans-63.1-46.1174.700000111.6M223 L311 Y314 Y315 S325 F326 L327 K331 G332 N333M223-A329 HydrophobicContact CE-CB 4.37Å; L311-A329 HydrophobicContact CD1-CB 3.55Å; Y314-A329 HydrophobicContact CD1-CB 4.05Å; Y314-A329 HydrophobicContact CE1-CB 4.24Å; Y314-A329 WeakPolarHBondContact CE1-O 3.31Å; Y315-A329 HydrophobicContact CD1-CB 4.05Å; Y315-A329 HydrophobicContact CG-CB 4.15Å; S325-A329 WeakPolarHBondContact O-CB 3.47Å; S325-A329 PolarHBondContact O-N 3.31Å; F326-A329 PolarHBondContact O-N 3.15Å; L327-A329 VanDerWaalsContact C-N 3.33Å; L327-A329 PolarHBondContact O-N 3.5Å; A329-K331 PolarHBondContact O-N 3.14Å; A329-G332 PolarHBondContact O-N 3.38Å; A329-N333 VanDerWaalsContact O-CB 3.31Å; A329-N333 WeakPolarHBondContact O-CB 3.42Å; A329-N333 PolarHBondContact O-N 2.86Å
330L96Very high91.3Very high1 Ų137.8 Ų37.81%0.00522%0.216CC..Hα-helixtrans-60.9-43.4176.2-72.8168.5000111.8Y222 M223 Y314 F326 L327 R343 M346 F347 V350Y222-L330 HydrophobicContact CD1-CD2 4.04Å; Y222-L330 HydrophobicContact CE1-CD2 3.75Å; M223-L330 HydrophobicContact CE-CD2 4.31Å; M223-L330 HydrophobicContact CE-CG 4.03Å; Y314-L330 HydrophobicContact CE1-CD2 4.24Å; F326-L330 WeakPolarHBondContact O-CG 3.31Å; F326-L330 PolarHBondContact O-N 3.15Å; L327-L330 PolarHBondContact O-N 3.46Å; L330-R343 HydrophobicContact CD2-CG 4.48Å; L330-R343 VanDerWaalsContact O-CD 3.22Å; L330-R343 WeakPolarHBondContact O-CD 3.44Å; L330-R343 WeakPolarHBondContact O-CG 3.29Å; L330-R343 PolarHBondContact O-NH1 3.48Å; L330-M346 HydrophobicContact CD1-CB 4.34Å; L330-M346 HydrophobicContact CD2-CB 4.18Å; L330-F347 HydrophobicContact CB-CB 4.42Å; L330-F347 HydrophobicContact CB-CD2 4.31Å; L330-V350 HydrophobicContact CD1-CB 4.25Å; L330-V350 HydrophobicContact CD1-CG2 3.94Å
331K93.4Very high91.4Very high84 Ų8444.4 Ų44.437%0.36525%0.251SS..Hα-helixtrans-67.6-42.9178.6-170.3174.2-172.11690112.6D154 L327 S328 A329 R343 F347D154-K331 IonicContact OD1-NZ 2.9Å; D154-K331 PolarHBondContact OD1-NZ 2.87Å; L327-K331 WeakPolarHBondContact O-CB 3.42Å; L327-K331 PolarHBondContact O-N 3.48Å; S328-K331 PolarHBondContact O-N 3.05Å; A329-K331 PolarHBondContact O-N 3.14Å; K331-R343 PolarHBondContact O-NH1 2.94Å; K331-F347 HydrophobicContact CB-CD2 4.3Å; K331-F347 HydrophobicContact CB-CE2 4.08Å; K331-F347 HydrophobicContact CD-CE2 4.4Å
332G91.6Very high91.7Very high31 Ų3145.9 Ų45.932%0.3226%0.259SS..Hα-helixtrans-78.3-31.6-174.700000114.7S328 A329 T334S328-G332 PolarHBondContact O-N 3.49Å; A329-G332 PolarHBondContact O-N 3.38Å; G332-T334 VanDerWaalsContact C-N 3.27Å; G332-T334 PolarHBondContact O-N 3.47Å
333N93.1Very high92.2Very high6 Ų645.9 Ų45.93%0.03226%0.256CS..  trans-82.863.7-177.9-166.37.5000112.8Y314 Y315 A329 N336 G337 R343Y314-N333 HydrophobicContact CE1-CB 3.76Å; Y314-N333 PolarHBondContact O-ND2 3.33Å; Y315-N333 HydrophobicContact CD2-CB 3.77Å; Y315-N333 HydrophobicContact CE2-CB 4.28Å; A329-N333 VanDerWaalsContact O-CB 3.31Å; A329-N333 WeakPolarHBondContact O-CB 3.42Å; A329-N333 PolarHBondContact O-N 2.86Å; N333-N336 WeakPolarHBondContact OD1-CB 3.42Å; N333-N336 PolarHBondContact OD1-N 2.92Å; N333-G337 WeakPolarHBondContact ND2-CA 3.38Å; N333-G337 PolarHBondContact ND2-N 3.44Å; N333-G337 VanDerWaalsContact O-CA 3.3Å; N333-G337 WeakPolarHBondContact O-CA 3.39Å; N333-G337 PolarHBondContact O-N 3.2Å; N333-G337 VanDerWaalsContact O-N 3.14Å; N333-G337 PolarHBondContact OD1-N 2.87Å; N333-R343 WeakPolarHBondContact O-CD 3.17Å
334T90.5Very high92.7Very high90 Ų9046.1 Ų46.155%0.55226%0.261SS*.THydrogen-bonded Turntrans-70.9-30-178.454.70000113.5G332G332-T334 VanDerWaalsContact C-N 3.27Å; G332-T334 PolarHBondContact O-N 3.47Å
335L86.9Confident93Very high156 Ų15647.9 Ų47.982%0.81728%0.28SS*.THydrogen-bonded Turntrans-87.2-38.5-172.9-71.1161.8000113.2
336N89.1Confident93.2Very high57 Ų5748.8 Ų48.831%0.30529%0.285SS..THydrogen-bonded Turntrans-119.2-3.5-172.4-58.4-52.4000113.4K228 Y231 N333 G338K228-N336 VanDerWaalsContact CE-CG 3.41Å; K228-N336 WeakPolarHBondContact CE-OD1 3.39Å; K228-N336 PolarHBondContact NZ-ND2 3.35Å; K228-N336 VanDerWaalsContact NZ-ND2 3.1Å; K228-N336 PolarHBondContact NZ-OD1 3.01Å; Y231-N336 PolarHBondContact OH-ND2 2.71Å; Y231-N336 VanDerWaalsContact OH-ND2 3.12Å; N333-N336 WeakPolarHBondContact OD1-CB 3.42Å; N333-N336 PolarHBondContact OD1-N 2.92Å; N336-G338 PolarHBondContact O-N 3.48Å; N336-G338 VanDerWaalsContact O-N 3.15Å
337G89.4Confident93.2Very high0 Ų049.6 Ų49.60%029%0.288CS..SBendtrans-83.522.1-171.700000115.4Y222 Y314 N333Y222-G337 PolarHBondContact OH-O 3.29Å; Y314-G337 WeakPolarHBondContact OH-CA 3.46Å; Y314-G337 PolarHBondContact OH-O 2.93Å; N333-G337 WeakPolarHBondContact ND2-CA 3.38Å; N333-G337 PolarHBondContact ND2-N 3.44Å; N333-G337 VanDerWaalsContact O-CA 3.3Å; N333-G337 WeakPolarHBondContact O-CA 3.39Å; N333-G337 PolarHBondContact O-N 3.2Å; N333-G337 VanDerWaalsContact O-N 3.14Å; N333-G337 PolarHBondContact OD1-N 2.87Å
338G91.7Very high93.3Very high20 Ų2055.8 Ų55.821%0.20631%0.313CS..SBendtrans83.6-179.1-176.300000114.8Y226 N336 E340Y226-G338 VanDerWaalsContact CD1-CA 3.47Å; N336-G338 PolarHBondContact O-N 3.48Å; N336-G338 VanDerWaalsContact O-N 3.15Å; G338-E340 PolarHBondContact O-N 2.92Å
339P93.6Very high93.5Very high70 Ų7059 Ų5946%0.45532%0.324SS..  trans-57.8137.4-179.1-2232.2000111.7Y226 N341 V342 R343Y226-P339 VanDerWaalsContact OH-CD 3.26Å; Y226-P339 WeakPolarHBondContact OH-CD 3.24Å; P339-N341 VanDerWaalsContact C-N 3.31Å; P339-N341 PolarHBondContact O-N 3.11Å; P339-V342 HydrophobicContact CB-CG2 4.17Å; P339-V342 HydrophobicContact CG-CG2 4.4Å; P339-V342 PolarHBondContact O-N 3.31Å; P339-R343 PolarHBondContact O-N 3.26Å
340E93.1Very high93.5Very high136 Ų13659 Ų5964%0.63632%0.324SS*.Hα-helixtrans-53.4-45.4-173.5-173.3176.6-177.800112.9G338 V342 R343 T344G338-E340 PolarHBondContact O-N 2.92Å; E340-V342 VanDerWaalsContact C-N 3.33Å; E340-V342 PolarHBondContact O-N 2.69Å; E340-R343 PolarHBondContact O-N 3.43Å; E340-T344 WeakPolarHBondContact O-CB 3.29Å; E340-T344 PolarHBondContact O-N 2.69Å; E340-T344 PolarHBondContact O-OG1 2.84Å
341N93.9Very high93.4Very high142 Ų14259 Ų5976%0.75932%0.324SS*.Hα-helixtrans-60.3-41.1179.5-63.5-16.6000112.5P339 G345P339-N341 VanDerWaalsContact C-N 3.31Å; P339-N341 PolarHBondContact O-N 3.11Å; N341-G345 PolarHBondContact O-N 2.87Å
342V94.8Very high93.4Very high71 Ų7158.7 Ų58.743%0.4333%0.329SS..Hα-helixtrans-73.7-42.1-179.1-173.60000110.1Y222 P339 E340 T344 G345 M346Y222-V342 HydrophobicContact CD2-CG1 4.45Å; Y222-V342 HydrophobicContact CE2-CG1 3.66Å; P339-V342 HydrophobicContact CB-CG2 4.17Å; P339-V342 HydrophobicContact CG-CG2 4.4Å; P339-V342 PolarHBondContact O-N 3.31Å; E340-V342 VanDerWaalsContact C-N 3.33Å; E340-V342 PolarHBondContact O-N 2.69Å; V342-T344 PolarHBondContact O-N 2.95Å; V342-G345 PolarHBondContact O-N 2.98Å; V342-M346 WeakPolarHBondContact O-CB 3.35Å; V342-M346 WeakPolarHBondContact O-CG 3.38Å; V342-M346 PolarHBondContact O-N 3.48Å
343R95.5Very high93.5Very high22 Ų2257.5 Ų57.58%0.08332%0.316CS..Hα-helixtrans-62-43.3177.2-172.3-178.165.8117.7-0.1111.9Y222 L330 K331 N333 P339 E340 M346 F347Y222-R343 WeakPolarHBondContact OH-CA 3.16Å; Y222-R343 WeakPolarHBondContact OH-CB 3.49Å; Y222-R343 PolarHBondContact OH-N 2.99Å; L330-R343 HydrophobicContact CD2-CG 4.48Å; L330-R343 VanDerWaalsContact O-CD 3.22Å; L330-R343 WeakPolarHBondContact O-CD 3.44Å; L330-R343 WeakPolarHBondContact O-CG 3.29Å; L330-R343 PolarHBondContact O-NH1 3.48Å; K331-R343 PolarHBondContact O-NH1 2.94Å; N333-R343 WeakPolarHBondContact O-CD 3.17Å; P339-R343 PolarHBondContact O-N 3.26Å; E340-R343 PolarHBondContact O-N 3.43Å; R343-M346 PolarHBondContact O-N 3.47Å; R343-F347 WeakPolarHBondContact O-CB 3.49Å; R343-F347 PolarHBondContact O-N 3.4Å
344T95Very high93.4Very high57 Ų5757.2 Ų57.235%0.3532%0.315SS..Hα-helixtrans-65.8-41.6174.8-60.50000111.2E340 V342 M346 F347 Y348E340-T344 WeakPolarHBondContact O-CB 3.29Å; E340-T344 PolarHBondContact O-N 2.69Å; E340-T344 PolarHBondContact O-OG1 2.84Å; V342-T344 PolarHBondContact O-N 2.95Å; T344-M346 VanDerWaalsContact C-N 3.32Å; T344-M346 PolarHBondContact O-N 2.88Å; T344-F347 WeakPolarHBondContact O-CB 3.37Å; T344-F347 PolarHBondContact O-N 3.16Å; T344-Y348 HydrophobicContact CG2-CD2 4Å; T344-Y348 HydrophobicContact CG2-CE2 3.64Å; T344-Y348 WeakPolarHBondContact O-CD2 3.18Å; T344-Y348 PolarHBondContact O-N 3.35Å; T344-Y348 VanDerWaalsContact O-N 3.14Å
345G96Very high93.5Very high41 Ų4153.9 Ų53.942%0.42329%0.294SS..Hα-helixtrans-57.5-44.8171.400000112.4N341 V342 Y348 F349N341-G345 PolarHBondContact O-N 2.87Å; V342-G345 PolarHBondContact O-N 2.98Å; G345-Y348 PolarHBondContact O-N 3.13Å; G345-F349 VanDerWaalsContact O-CB 3.29Å; G345-F349 WeakPolarHBondContact O-CB 3.18Å; G345-F349 PolarHBondContact O-N 3.31Å
346M96Very high93.6Very high19 Ų1950 Ų509%0.09427%0.273CS..Hα-helixtrans-64.2-39.7175-76.4-58.5-60.900112.4V218 Y222 L330 V342 R343 T344 Y348 F349 V350V218-M346 HydrophobicContact CG1-CE 4.14Å; V218-M346 HydrophobicContact CG1-SD 4.32Å; Y222-M346 HydrophobicContact CD1-CG 4.17Å; Y222-M346 HydrophobicContact CD2-CG 3.66Å; Y222-M346 HydrophobicContact CD2-SD 4.3Å; Y222-M346 HydrophobicContact CE1-CG 4.29Å; Y222-M346 HydrophobicContact CE2-CG 3.76Å; Y222-M346 HydrophobicContact CG-CE 4.07Å; Y222-M346 HydrophobicContact CG-CG 3.86Å; Y222-M346 HydrophobicContact CG-SD 4.36Å; L330-M346 HydrophobicContact CD1-CB 4.34Å; L330-M346 HydrophobicContact CD2-CB 4.18Å; V342-M346 WeakPolarHBondContact O-CB 3.35Å; V342-M346 WeakPolarHBondContact O-CG 3.38Å; V342-M346 PolarHBondContact O-N 3.48Å; R343-M346 PolarHBondContact O-N 3.47Å; T344-M346 VanDerWaalsContact C-N 3.32Å; T344-M346 PolarHBondContact O-N 2.88Å; M346-Y348 PolarHBondContact O-N 3.13Å; M346-F349 HydrophobicContact CE-CD1 4.06Å; M346-F349 PolarHBondContact O-N 2.71Å; M346-F349 HydrophobicContact SD-CD1 4.24Å; M346-V350 HydrophobicContact CE-CG2 4.17Å; M346-V350 WeakPolarHBondContact O-CB 3.36Å; M346-V350 VanDerWaalsContact O-CG2 3.27Å; M346-V350 WeakPolarHBondContact O-CG2 3.32Å; M346-V350 PolarHBondContact O-N 2.73Å
347F95.9Very high93.5Very high19 Ų1947.4 Ų47.48%0.08326%0.26CS..Hα-helixtrans-56.5-48.6176176-94.9000111.5T151 L152 L327 L330 K331 R343 T344 G351T151-F347 HydrophobicContact CG2-CE2 4.22Å; T151-F347 HydrophobicContact CG2-CZ 4.3Å; L152-F347 HydrophobicContact CD2-CD1 4.22Å; L152-F347 HydrophobicContact CD2-CE1 3.7Å; L152-F347 HydrophobicContact CD2-CZ 4.17Å; L327-F347 HydrophobicContact CB-CD2 4.31Å; L327-F347 HydrophobicContact CB-CE2 3.92Å; L327-F347 HydrophobicContact CD2-CD2 3.9Å; L327-F347 HydrophobicContact CD2-CE2 4.04Å; L327-F347 HydrophobicContact CD2-CG 4.43Å; L327-F347 VanDerWaalsContact CD2-O 3.23Å; L327-F347 WeakPolarHBondContact CD2-O 3.38Å; L327-F347 HydrophobicContact CG-CE2 4.48Å; L330-F347 HydrophobicContact CB-CB 4.42Å; L330-F347 HydrophobicContact CB-CD2 4.31Å; K331-F347 HydrophobicContact CB-CD2 4.3Å; K331-F347 HydrophobicContact CB-CE2 4.08Å; K331-F347 HydrophobicContact CD-CE2 4.4Å; R343-F347 WeakPolarHBondContact O-CB 3.49Å; R343-F347 PolarHBondContact O-N 3.4Å; T344-F347 WeakPolarHBondContact O-CB 3.37Å; T344-F347 PolarHBondContact O-N 3.16Å; F347-G351 PolarHBondContact O-N 3.02Å
348Y96.3Very high93.6Very high130 Ų13047.4 Ų47.451%0.5126%0.26SS..Hα-helixtrans-70.5-37.5176.4-70-66.5000113L152 T344 G345 M346 G351 V352L152-Y348 HydrophobicContact CD2-CD1 4.05Å; L152-Y348 HydrophobicContact CD2-CE1 4.42Å; T344-Y348 HydrophobicContact CG2-CD2 4Å; T344-Y348 HydrophobicContact CG2-CE2 3.64Å; T344-Y348 WeakPolarHBondContact O-CD2 3.18Å; T344-Y348 PolarHBondContact O-N 3.35Å; T344-Y348 VanDerWaalsContact O-N 3.14Å; G345-Y348 PolarHBondContact O-N 3.13Å; M346-Y348 PolarHBondContact O-N 3.13Å; Y348-G351 PolarHBondContact O-N 2.9Å; Y348-V352 WeakPolarHBondContact O-CB 3.3Å; Y348-V352 WeakPolarHBondContact O-CG2 3.37Å; Y348-V352 PolarHBondContact O-N 3.48Å
349F95.7Very high93.4Very high87 Ų8749.1 Ų49.138%0.38226%0.264SS..Hα-helixtrans-59.7-49.4176.7174.1-97.7000111.9V215 V218 G345 M346 G353V215-F349 HydrophobicContact CB-CE1 4.27Å; V215-F349 HydrophobicContact CG1-CE1 4.27Å; V215-F349 HydrophobicContact CG2-CE1 4.09Å; V215-F349 HydrophobicContact CG2-CZ 3.96Å; V218-F349 HydrophobicContact CB-CE1 3.91Å; V218-F349 HydrophobicContact CB-CZ 4.22Å; V218-F349 HydrophobicContact CG1-CE1 3.87Å; V218-F349 HydrophobicContact CG1-CZ 4.26Å; V218-F349 HydrophobicContact CG2-CZ 4.47Å; G345-F349 VanDerWaalsContact O-CB 3.29Å; G345-F349 WeakPolarHBondContact O-CB 3.18Å; G345-F349 PolarHBondContact O-N 3.31Å; M346-F349 HydrophobicContact CE-CD1 4.06Å; M346-F349 PolarHBondContact O-N 2.71Å; M346-F349 HydrophobicContact SD-CD1 4.24Å; F349-G353 WeakPolarHBondContact O-CA 3.39Å; F349-G353 PolarHBondContact O-N 3.18Å
350V95Very high93Very high1 Ų146 Ų461%0.00624%0.244CC..Hα-helixtrans-66.7-41.1177.2179.20000111Y64 V215 T219 F326 L327 L330 M346 S354Y64-V350 HydrophobicContact CE1-CG1 4.48Å; V215-V350 HydrophobicContact CG1-CG1 4.48Å; T219-V350 HydrophobicContact CG2-CG2 3.82Å; T219-V350 WeakPolarHBondContact OG1-CG2 3.35Å; F326-V350 HydrophobicContact CB-CG1 4.13Å; L327-V350 HydrophobicContact CD2-CB 4.05Å; L327-V350 HydrophobicContact CD2-CG1 4.09Å; L330-V350 HydrophobicContact CD1-CB 4.25Å; L330-V350 HydrophobicContact CD1-CG2 3.94Å; M346-V350 HydrophobicContact CE-CG2 4.17Å; M346-V350 WeakPolarHBondContact O-CB 3.36Å; M346-V350 VanDerWaalsContact O-CG2 3.27Å; M346-V350 WeakPolarHBondContact O-CG2 3.32Å; M346-V350 PolarHBondContact O-N 2.73Å; V350-S354 WeakPolarHBondContact O-CB 3.2Å; V350-S354 PolarHBondContact O-N 2.96Å; V350-S354 PolarHBondContact O-OG 3.4Å
351G94.4Very high92.6Very high0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-62.5-59.2-179.200000111.9F347 Y348 G353 S354 L355F347-G351 PolarHBondContact O-N 3.02Å; Y348-G351 PolarHBondContact O-N 2.9Å; G351-G353 VanDerWaalsContact C-N 3.34Å; G351-G353 PolarHBondContact O-N 2.9Å; G351-S354 PolarHBondContact O-N 3.48Å; G351-S354 PolarHBondContact O-OG 3.46Å; G351-L355 VanDerWaalsContact O-CG 3.32Å; G351-L355 WeakPolarHBondContact O-CG 3.2Å; G351-L355 PolarHBondContact O-N 3.05Å; G351-L355 VanDerWaalsContact O-N 3.07Å
352V94.1Very high92.4Very high78 Ų7833 Ų3347%0.47318%0.179SC..Hα-helixtrans-64-41.6-179.71780000111Y348 S354 L355 I356Y348-V352 WeakPolarHBondContact O-CB 3.3Å; Y348-V352 WeakPolarHBondContact O-CG2 3.37Å; Y348-V352 PolarHBondContact O-N 3.48Å; V352-S354 PolarHBondContact O-N 2.9Å; V352-L355 PolarHBondContact O-N 3.49Å; V352-I356 HydrophobicContact CG1-CD1 3.94Å; V352-I356 WeakPolarHBondContact O-CG1 3.4Å; V352-I356 PolarHBondContact O-N 2.81Å
353G92.6Very high91.9Very high5 Ų531 Ų315%0.05217%0.166CC..Hα-helixtrans-61-44.6178.800000113.3F349 G351 I356 G357F349-G353 WeakPolarHBondContact O-CA 3.39Å; F349-G353 PolarHBondContact O-N 3.18Å; G351-G353 VanDerWaalsContact C-N 3.34Å; G351-G353 PolarHBondContact O-N 2.9Å; G353-I356 PolarHBondContact O-N 3.42Å; G353-G357 PolarHBondContact O-N 2.96Å
354S91.8Very high91.2Very high0 Ų030.4 Ų30.40%017%0.165CC..Hα-helixtrans-65.6-42.5175.464.10000111.6V350 G351 V352 I356 G357 L358V350-S354 WeakPolarHBondContact O-CB 3.2Å; V350-S354 PolarHBondContact O-N 2.96Å; V350-S354 PolarHBondContact O-OG 3.4Å; G351-S354 PolarHBondContact O-N 3.48Å; G351-S354 PolarHBondContact O-OG 3.46Å; V352-S354 PolarHBondContact O-N 2.9Å; S354-I356 VanDerWaalsContact C-N 3.32Å; S354-I356 PolarHBondContact O-N 2.94Å; S354-G357 PolarHBondContact O-N 3.09Å; S354-L358 WeakPolarHBondContact O-CB 3.19Å; S354-L358 WeakPolarHBondContact O-CG 3.29Å; S354-L358 PolarHBondContact O-N 3.23Å
355L92.6Very high90.7Very high21 Ų2128.4 Ų28.411%0.1115%0.153CC..Hα-helixtrans-57.6-42.8176-68.5176.5000112.3W145 M148 L149 L152 G351 V352 I359W145-L355 HydrophobicContact CD2-CD2 3.79Å; W145-L355 HydrophobicContact CG-CD2 3.84Å; W145-L355 HydrophobicContact CZ2-CD2 4.22Å; W145-L355 PolarHBondContact NE1-O 3.35Å; W145-L355 WeakPolarHBondContact O-CD2 3.45Å; M148-L355 HydrophobicContact CB-CD2 3.8Å; M148-L355 HydrophobicContact CB-CG 4.45Å; L149-L355 HydrophobicContact CB-CD2 4.23Å; L149-L355 HydrophobicContact CD1-CD1 4.08Å; L152-L355 HydrophobicContact CD1-CD1 3.64Å; L152-L355 HydrophobicContact CD1-CG 4.38Å; G351-L355 VanDerWaalsContact O-CG 3.32Å; G351-L355 WeakPolarHBondContact O-CG 3.2Å; G351-L355 PolarHBondContact O-N 3.05Å; G351-L355 VanDerWaalsContact O-N 3.07Å; V352-L355 PolarHBondContact O-N 3.49Å; L355-I359 WeakPolarHBondContact O-CD1 3.48Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.34Å; L355-I359 PolarHBondContact O-N 2.88Å
356I89.8Confident90.3Very high74 Ų7426.5 Ų26.538%0.37913%0.133SC..Hα-helixtrans-64.6-45.6176.6-66.5166.6000111V211 V352 G353 S354 L358 I359 A360V211-I356 HydrophobicContact CG1-CG2 4.46Å; V352-I356 HydrophobicContact CG1-CD1 3.94Å; V352-I356 WeakPolarHBondContact O-CG1 3.4Å; V352-I356 PolarHBondContact O-N 2.81Å; G353-I356 PolarHBondContact O-N 3.42Å; S354-I356 VanDerWaalsContact C-N 3.32Å; S354-I356 PolarHBondContact O-N 2.94Å; I356-L358 PolarHBondContact O-N 3.29Å; I356-I359 PolarHBondContact O-N 2.93Å; I356-A360 PolarHBondContact O-N 3.36Å
357G86.9Confident89.6Confident3 Ų327.1 Ų27.13%0.03114%0.137CC..Hα-helixtrans-61.7-4317900000112.8G353 S354 A360 C361G353-G357 PolarHBondContact O-N 2.96Å; S354-G357 PolarHBondContact O-N 3.09Å; G357-A360 PolarHBondContact O-N 2.83Å; G357-C361 PolarHBondContact O-N 3.48Å
358L90.5Very high88.8Confident0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-68.9-33.6-179.1-66.9179.6000113.1Y64 V141 C144 W145 M148 S354 I356 A360 C361 L362Y64-L358 HydrophobicContact CD2-CD2 4.27Å; V141-L358 HydrophobicContact CG1-CB 4.24Å; V141-L358 HydrophobicContact CG1-CD2 4.04Å; C144-L358 HydrophobicContact CB-CD1 4.39Å; W145-L358 HydrophobicContact CB-CB 4.42Å; W145-L358 HydrophobicContact CB-CD1 4.16Å; M148-L358 HydrophobicContact CG-CD1 4.36Å; S354-L358 WeakPolarHBondContact O-CB 3.19Å; S354-L358 WeakPolarHBondContact O-CG 3.29Å; S354-L358 PolarHBondContact O-N 3.23Å; I356-L358 PolarHBondContact O-N 3.29Å; L358-A360 VanDerWaalsContact C-N 3.32Å; L358-A360 PolarHBondContact O-N 3.33Å; L358-C361 PolarHBondContact O-N 3.08Å; L358-L362 WeakPolarHBondContact O-CG 3.12Å; L358-L362 PolarHBondContact O-N 2.81Å
359I88.9Confident88.3Confident55 Ų5520.3 Ų20.328%0.28211%0.112SC..Hα-helixtrans-60.8-42.5172.9-71.6164.8000110.9L190 L355 I356 L362 I363L190-I359 HydrophobicContact CD1-CG2 4.44Å; L190-I359 HydrophobicContact CD2-CG2 4.24Å; L355-I359 WeakPolarHBondContact O-CD1 3.48Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.34Å; L355-I359 PolarHBondContact O-N 2.88Å; I356-I359 PolarHBondContact O-N 2.93Å; I359-L362 PolarHBondContact O-N 2.82Å; I359-I363 HydrophobicContact CG2-CD1 3.91Å; I359-I363 WeakPolarHBondContact O-CG1 3.49Å; I359-I363 PolarHBondContact O-N 2.61Å
360A83.7Confident87.7Confident5 Ų516.3 Ų16.34%0.04110%0.095CC..Hα-helixtrans-66.6-38.417900000112.6T205 I356 G357 L358 T364T205-A360 HydrophobicContact CG2-CB 4.47Å; I356-A360 PolarHBondContact O-N 3.36Å; G357-A360 PolarHBondContact O-N 2.83Å; L358-A360 VanDerWaalsContact C-N 3.32Å; L358-A360 PolarHBondContact O-N 3.33Å; A360-T364 PolarHBondContact O-N 2.9Å; A360-T364 VanDerWaalsContact O-N 3.12Å; A360-T364 PolarHBondContact O-OG1 3.34Å
361C86.2Confident87Confident4 Ų422.2 Ų22.23%0.02712%0.117CC..Hα-helixtrans-60.3-47.6172.7-171.60000111G56 G60 V141 G357 L358 I363 T364 S365G56-C361 PolarHBondContact O-SG 3.35Å; G56-C361 VanDerWaalsContact O-SG 3.37Å; G60-C361 VanDerWaalsContact CA-SG 3.55Å; V141-C361 HydrophobicContact CG1-CB 4.31Å; G357-C361 PolarHBondContact O-N 3.48Å; L358-C361 PolarHBondContact O-N 3.08Å; C361-I363 PolarHBondContact O-N 3.18Å; C361-T364 PolarHBondContact O-N 3.03Å; C361-S365 PolarHBondContact O-N 3.39Å; C361-S365 PolarHBondContact O-OG 3.43Å
362L88.9Confident86.3Confident1 Ų122.5 Ų22.51%0.00512%0.118CC..Hα-helixtrans-59-47178-76.2169.6000112.9I138 V141 A142 L186 L190 L358 I359 T364 S365 L366I138-L362 HydrophobicContact CB-CD2 4.5Å; I138-L362 HydrophobicContact CG2-CD2 3.76Å; I138-L362 WeakPolarHBondContact O-CD2 3.38Å; V141-L362 HydrophobicContact CB-CD2 3.76Å; V141-L362 HydrophobicContact CB-CG 4.17Å; V141-L362 HydrophobicContact CG1-CD1 4.28Å; V141-L362 HydrophobicContact CG1-CD2 3.79Å; V141-L362 HydrophobicContact CG1-CG 3.61Å; A142-L362 HydrophobicContact CB-CD2 4.2Å; L186-L362 HydrophobicContact CD2-CD1 3.43Å; L186-L362 VanDerWaalsContact CD2-CD1 3.43Å; L186-L362 HydrophobicContact CG-CD1 4.12Å; L190-L362 HydrophobicContact CD1-CB 3.62Å; L190-L362 HydrophobicContact CD1-CD1 3.76Å; L190-L362 HydrophobicContact CD1-CG 4.32Å; L358-L362 WeakPolarHBondContact O-CG 3.12Å; L358-L362 PolarHBondContact O-N 2.81Å; I359-L362 PolarHBondContact O-N 2.82Å; L362-T364 VanDerWaalsContact C-N 3.29Å; L362-T364 PolarHBondContact O-N 3.41Å; L362-S365 PolarHBondContact O-N 2.83Å; L362-L366 VanDerWaalsContact O-CB 3.28Å; L362-L366 WeakPolarHBondContact O-CB 3.42Å; L362-L366 VanDerWaalsContact O-CG 3.32Å; L362-L366 WeakPolarHBondContact O-CG 3.43Å; L362-L366 PolarHBondContact O-N 2.84Å
363I84.7Confident85.9Confident30 Ų3018.8 Ų18.815%0.15410%0.096CC..Hα-helixtrans-60.4-42.7178.4-68.4168.5000110.4L190 V198 I359 C361 S365 L366 V367L190-I363 HydrophobicContact CD1-CG1 4.46Å; L190-I363 HydrophobicContact CD2-CD1 4.32Å; L190-I363 HydrophobicContact CD2-CG1 4.17Å; V198-I363 HydrophobicContact CG1-CG2 4.48Å; I359-I363 HydrophobicContact CG2-CD1 3.91Å; I359-I363 WeakPolarHBondContact O-CG1 3.49Å; I359-I363 PolarHBondContact O-N 2.61Å; C361-I363 PolarHBondContact O-N 3.18Å; I363-S365 PolarHBondContact O-N 3.34Å; I363-L366 PolarHBondContact O-N 3.47Å; I363-V367 VanDerWaalsContact O-CG2 3.28Å; I363-V367 WeakPolarHBondContact O-CG2 3.43Å; I363-V367 PolarHBondContact O-N 3.43Å
364T79.4Confident85.4Confident9 Ų921.2 Ų21.26%0.05510%0.104CC..Hα-helixtrans-62.3-45.9-179.8-53.80000111.1Y53 T205 A360 C361 L362 V367 A368Y53-T364 HydrophobicContact CD2-CG2 4.33Å; Y53-T364 HydrophobicContact CE1-CG2 4.46Å; Y53-T364 HydrophobicContact CE2-CG2 3.56Å; T205-T364 WeakPolarHBondContact CG2-OG1 3.29Å; A360-T364 PolarHBondContact O-N 2.9Å; A360-T364 VanDerWaalsContact O-N 3.12Å; A360-T364 PolarHBondContact O-OG1 3.34Å; C361-T364 PolarHBondContact O-N 3.03Å; L362-T364 VanDerWaalsContact C-N 3.29Å; L362-T364 PolarHBondContact O-N 3.41Å; T364-V367 PolarHBondContact O-N 2.91Å; T364-A368 PolarHBondContact O-N 2.98Å; T364-A368 VanDerWaalsContact O-N 3.09Å
365S85.8Confident84.8Confident14 Ų1422.1 Ų22.110%0.09811%0.111CC..Hα-helixtrans-69.2-38.1178.3-61.20000113C361 L362 I363 V367 A368 A369C361-S365 PolarHBondContact O-N 3.39Å; C361-S365 PolarHBondContact O-OG 3.43Å; L362-S365 PolarHBondContact O-N 2.83Å; I363-S365 PolarHBondContact O-N 3.34Å; S365-V367 VanDerWaalsContact C-N 3.26Å; S365-V367 PolarHBondContact O-N 2.92Å; S365-A368 PolarHBondContact O-N 3.39Å; S365-A369 WeakPolarHBondContact O-CB 3.32Å; S365-A369 PolarHBondContact O-N 3.13Å
366L86.7Confident84.5Confident2 Ų221.1 Ų21.11%0.0111%0.106CC..Hα-helixtrans-66.3-25.6175.5-79.8166.8000113I138 L190 L362 I363 P370I138-L366 HydrophobicContact CD1-CD2 3.95Å; I138-L366 HydrophobicContact CD1-CG 4.2Å; I138-L366 HydrophobicContact CG1-CG 4.46Å; I138-L366 HydrophobicContact CG2-CD2 4.09Å; I138-L366 HydrophobicContact CG2-CG 4.11Å; L190-L366 HydrophobicContact CB-CD1 3.57Å; L362-L366 VanDerWaalsContact O-CB 3.28Å; L362-L366 WeakPolarHBondContact O-CB 3.42Å; L362-L366 VanDerWaalsContact O-CG 3.32Å; L362-L366 WeakPolarHBondContact O-CG 3.43Å; L362-L366 PolarHBondContact O-N 2.84Å; I363-L366 PolarHBondContact O-N 3.47Å; L366-P370 WeakPolarHBondContact O-CD 3.38Å; L366-P370 VanDerWaalsContact O-CG 3.24Å; L366-P370 WeakPolarHBondContact O-CG 3.28Å
367V80.8Confident84.4Confident31 Ų3117.7 Ų17.719%0.1889%0.088CC..Hα-helixtrans-81-36172.2171.70000111.6V198 I363 T364 S365 R371V198-V367 HydrophobicContact CG2-CG2 3.76Å; I363-V367 VanDerWaalsContact O-CG2 3.28Å; I363-V367 WeakPolarHBondContact O-CG2 3.43Å; I363-V367 PolarHBondContact O-N 3.43Å; T364-V367 PolarHBondContact O-N 2.91Å; S365-V367 VanDerWaalsContact C-N 3.26Å; S365-V367 PolarHBondContact O-N 2.92Å; V367-R371 WeakPolarHBondContact O-CG 3.41Å
368A79.5Confident84.1Confident6 Ų623.1 Ų23.15%0.0511%0.113CC..Hα-helixtrans-75.1-45.1-177.200000113.3Y134 T364 S365 R371 I372Y134-A368 HydrophobicContact CD1-CB 4.1Å; Y134-A368 HydrophobicContact CE1-CB 3.49Å; Y134-A368 VanDerWaalsContact CE1-CB 3.49Å; T364-A368 PolarHBondContact O-N 2.98Å; T364-A368 VanDerWaalsContact O-N 3.09Å; S365-A368 PolarHBondContact O-N 3.39Å; A368-R371 WeakPolarHBondContact O-CB 3.45Å; A368-R371 PolarHBondContact O-N 3.04Å; A368-R371 VanDerWaalsContact O-N 3.11Å; A368-I372 PolarHBondContact O-N 3.43Å
369A86.1Confident83.7Confident0 Ų024.4 Ų24.40%012%0.12CC..Hα-helixtrans-58.9-47.1-173.400000113.8Y134 I138 S365 R371 I372 S373 V403Y134-A369 HydrophobicContact CD1-CB 4.43Å; Y134-A369 HydrophobicContact CG-CB 4.05Å; I138-A369 HydrophobicContact CD1-CB 4.13Å; S365-A369 WeakPolarHBondContact O-CB 3.32Å; S365-A369 PolarHBondContact O-N 3.13Å; A369-R371 PolarHBondContact O-N 3.45Å; A369-I372 PolarHBondContact O-N 3.34Å; A369-S373 PolarHBondContact O-N 3.18Å; A369-V403 HydrophobicContact CB-CG1 3.96Å; A369-V403 HydrophobicContact CB-CG2 4.42Å
370P84Confident83.5Confident4 Ų421.8 Ų21.83%0.02611%0.107CC..Hα-helixtrans-66.3-25.1179.1-21.736.1000112.9L366 Y374 P396 S399 T400L366-P370 WeakPolarHBondContact O-CD 3.38Å; L366-P370 VanDerWaalsContact O-CG 3.24Å; L366-P370 WeakPolarHBondContact O-CG 3.28Å; P370-Y374 WeakPolarHBondContact O-CB 3.38Å; P370-Y374 PolarHBondContact O-N 3.46Å; P370-P396 HydrophobicContact CB-CG 3.95Å; P370-S399 WeakPolarHBondContact CA-OG 3.32Å; P370-S399 PolarHBondContact O-OG 3.44Å; P370-T400 HydrophobicContact CG-CG2 4.27Å; P370-T400 WeakPolarHBondContact CG-OG1 3.4Å
371R79.4Confident83.6Confident124 Ų12421.6 Ų21.647%0.46811%0.105SC..Hα-helixtrans-69.7-34.6177-68.9176.5-179.1-164.7-1.1112.2V367 A368 A369 Y374 A375V367-R371 WeakPolarHBondContact O-CG 3.41Å; A368-R371 WeakPolarHBondContact O-CB 3.45Å; A368-R371 PolarHBondContact O-N 3.04Å; A368-R371 VanDerWaalsContact O-N 3.11Å; A369-R371 PolarHBondContact O-N 3.45Å; R371-Y374 PolarHBondContact O-N 3.5Å; R371-A375 WeakPolarHBondContact O-CB 3.4Å; R371-A375 PolarHBondContact O-N 3.28Å
372I80.8Confident83.6Confident6 Ų621.7 Ų21.73%0.03111%0.105CC..Hα-helixtrans-70.6-45.8176.6-67.9155.9000109.9I130 L131 Y134 A368 A369 Y374 A375 M376I130-I372 HydrophobicContact CG2-CD1 3.75Å; L131-I372 HydrophobicContact CB-CG2 4.5Å; Y134-I372 HydrophobicContact CD2-CD1 3.37Å; Y134-I372 HydrophobicContact CE2-CD1 3.11Å; Y134-I372 HydrophobicContact CG-CD1 4.45Å; A368-I372 PolarHBondContact O-N 3.43Å; A369-I372 PolarHBondContact O-N 3.34Å; I372-Y374 VanDerWaalsContact C-N 3.34Å; I372-Y374 PolarHBondContact O-N 3.06Å; I372-A375 PolarHBondContact O-N 3.33Å; I372-M376 HydrophobicContact CG2-CE 3.88Å; I372-M376 WeakPolarHBondContact O-CG 3.2Å; I372-M376 PolarHBondContact O-N 2.97Å
373S85.3Confident83.5Confident0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-58.5-45.6171.8167.20000111.4A369 A375 M376 A377 I382 S399A369-S373 PolarHBondContact O-N 3.18Å; S373-A375 PolarHBondContact O-N 3.02Å; S373-M376 PolarHBondContact O-N 2.88Å; S373-A377 WeakPolarHBondContact O-CB 3.49Å; S373-A377 PolarHBondContact O-N 3.45Å; S373-I382 VanDerWaalsContact O-CD1 3.25Å; S373-I382 WeakPolarHBondContact O-CD1 3.25Å; S373-I382 WeakPolarHBondContact OG-CD1 3.28Å; S373-S399 WeakPolarHBondContact CB-OG 3.18Å; S373-S399 PolarHBondContact OG-OG 3.2Å
374Y82.5Confident83.3Confident57 Ų5726 Ų2622%0.22413%0.133CC..Hα-helixtrans-57.2-46.8174170.6-91.8000112.6P370 R371 I372 M376 A377 Q378 S387 L389 P396P370-Y374 WeakPolarHBondContact O-CB 3.38Å; P370-Y374 PolarHBondContact O-N 3.46Å; R371-Y374 PolarHBondContact O-N 3.5Å; I372-Y374 VanDerWaalsContact C-N 3.34Å; I372-Y374 PolarHBondContact O-N 3.06Å; Y374-M376 PolarHBondContact O-N 3.45Å; Y374-A377 WeakPolarHBondContact O-CB 3.37Å; Y374-A377 PolarHBondContact O-N 2.8Å; Y374-Q378 WeakPolarHBondContact O-CB 3.49Å; Y374-Q378 PolarHBondContact O-N 2.87Å; Y374-S387 WeakPolarHBondContact CE2-O 3.42Å; Y374-L389 HydrophobicContact CD2-CD2 3.94Å; Y374-L389 HydrophobicContact CE2-CD1 4.17Å; Y374-L389 HydrophobicContact CE2-CD2 3.59Å; Y374-L389 HydrophobicContact CE2-CG 3.78Å; Y374-P396 HydrophobicContact CD2-CB 4.28Å
375A78.7Confident83.4Confident18 Ų1830.9 Ų30.915%0.14916%0.158CC..Hα-helixtrans-64-41.3179.700000112.3R371 I372 S373 A377 Q378 D379R371-A375 WeakPolarHBondContact O-CB 3.4Å; R371-A375 PolarHBondContact O-N 3.28Å; I372-A375 PolarHBondContact O-N 3.33Å; S373-A375 PolarHBondContact O-N 3.02Å; A375-A377 VanDerWaalsContact C-N 3.32Å; A375-A377 PolarHBondContact O-N 3.31Å; A375-Q378 PolarHBondContact O-N 3.18Å; A375-D379 PolarHBondContact O-N 2.65Å; A375-D379 VanDerWaalsContact O-N 3.1Å
376M86.3Confident83Confident0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-65.2-35.8173.4-69.5-174.5-64.900112.2Y111 G127 L131 I372 S373 Y374 G380 L381 I382Y111-M376 HydrophobicContact CD1-CG 4.35Å; Y111-M376 HydrophobicContact CD2-CG 4.09Å; Y111-M376 HydrophobicContact CE1-CG 4.21Å; Y111-M376 HydrophobicContact CE2-CG 3.95Å; Y111-M376 HydrophobicContact CG-CG 4.29Å; G127-M376 VanDerWaalsContact C-SD 3.51Å; L131-M376 HydrophobicContact CB-CE 4.03Å; L131-M376 HydrophobicContact CD2-CE 3.78Å; L131-M376 HydrophobicContact CG-CE 4.42Å; I372-M376 HydrophobicContact CG2-CE 3.88Å; I372-M376 WeakPolarHBondContact O-CG 3.2Å; I372-M376 PolarHBondContact O-N 2.97Å; S373-M376 PolarHBondContact O-N 2.88Å; Y374-M376 PolarHBondContact O-N 3.45Å; M376-G380 PolarHBondContact O-N 3.15Å; M376-L381 PolarHBondContact O-N 2.89Å; M376-I382 HydrophobicContact CB-CD1 4.18Å; M376-I382 HydrophobicContact CB-CG1 4.17Å; M376-I382 HydrophobicContact CB-CG2 4.44Å
377A86.5Confident82.6Confident2 Ų232.8 Ų32.82%0.01717%0.171CC..Hα-helixtrans-71.6-36.9177.600000112.1S373 Y374 A375 D379 G380 I382 C386S373-A377 WeakPolarHBondContact O-CB 3.49Å; S373-A377 PolarHBondContact O-N 3.45Å; Y374-A377 WeakPolarHBondContact O-CB 3.37Å; Y374-A377 PolarHBondContact O-N 2.8Å; A375-A377 VanDerWaalsContact C-N 3.32Å; A375-A377 PolarHBondContact O-N 3.31Å; A377-D379 VanDerWaalsContact C-N 3.32Å; A377-G380 PolarHBondContact O-N 3.42Å; A377-G380 VanDerWaalsContact O-N 3.07Å; A377-I382 HydrophobicContact CB-CD1 4.07Å; A377-I382 HydrophobicContact CB-CG1 3.65Å; A377-C386 HydrophobicContact CB-CB 3.7Å
378Q81.4Confident82.5Confident118 Ų11837 Ų3755%0.55119%0.189SC*.Hα-helixtrans-65.1-38.1175.1-173.71787.300111.5Y374 A375 G380Y374-Q378 WeakPolarHBondContact O-CB 3.49Å; Y374-Q378 PolarHBondContact O-N 2.87Å; A375-Q378 PolarHBondContact O-N 3.18Å; Q378-G380 PolarHBondContact O-N 2.94Å
379D82.5Confident82.5Confident27 Ų2739.9 Ų39.914%0.14420%0.203CC..THydrogen-bonded Turntrans-76.8-2173.4-71.5-23.4000113.1K27 Y111 Y115 A375 A377 T624K27-D379 IonicContact NZ-OD1 3.39Å; K27-D379 PolarHBondContact NZ-OD1 3.3Å; K27-D379 IonicContact NZ-OD2 3.24Å; K27-D379 PolarHBondContact NZ-OD2 2.6Å; Y111-D379 VanDerWaalsContact CE1-OD2 3.29Å; Y111-D379 WeakPolarHBondContact CE1-OD2 3.44Å; Y111-D379 WeakPolarHBondContact OH-CB 3.36Å; Y111-D379 VanDerWaalsContact OH-CG 3.26Å; Y111-D379 PolarHBondContact OH-OD2 2.86Å; Y115-D379 HydrophobicContact CE1-CB 4.11Å; A375-D379 PolarHBondContact O-N 2.65Å; A375-D379 VanDerWaalsContact O-N 3.1Å; A377-D379 VanDerWaalsContact C-N 3.32Å; D379-T624 WeakPolarHBondContact O-CG2 3.4Å
380G83.7Confident82Confident0 Ų042.1 Ų42.10%022%0.218CC..THydrogen-bonded Turntrans82.19.1173.700000116M376 A377 Q378 N623M376-G380 PolarHBondContact O-N 3.15Å; A377-G380 PolarHBondContact O-N 3.42Å; A377-G380 VanDerWaalsContact O-N 3.07Å; Q378-G380 PolarHBondContact O-N 2.94Å; G380-N623 VanDerWaalsContact CA-ND2 3.26Å; G380-N623 WeakPolarHBondContact CA-ND2 3.39Å; G380-N623 PolarHBondContact O-ND2 2.85Å
381L85.5Confident81.6Confident0 Ų050.2 Ų50.20%026%0.256CS..SBendtrans-79.3-29.4-175.8-67.8174.8000114.3Y111 Y115 E120 F124 M376 Y616 G620 T624Y111-L381 HydrophobicContact CE2-CD1 3.46Å; Y111-L381 VanDerWaalsContact CE2-CD1 3.46Å; Y111-L381 WeakPolarHBondContact OH-CD1 3.46Å; Y115-L381 HydrophobicContact CE1-CD1 4.43Å; E120-L381 HydrophobicContact CG-CD2 3.6Å; E120-L381 WeakPolarHBondContact OE1-CD2 3.25Å; F124-L381 HydrophobicContact CB-CD1 4.35Å; F124-L381 HydrophobicContact CD2-CB 4.02Å; F124-L381 HydrophobicContact CD2-CD1 4.31Å; M376-L381 PolarHBondContact O-N 2.89Å; L381-Y616 HydrophobicContact CD2-CD2 3.98Å; L381-Y616 HydrophobicContact CD2-CE2 3.65Å; L381-G620 WeakPolarHBondContact O-CA 3.25Å; L381-T624 HydrophobicContact CD2-CG2 3.71Å; L381-T624 HydrophobicContact CG-CG2 4.17Å
382I88.1Confident81.3Confident7 Ų749.1 Ų49.14%0.03627%0.265CS..SBendtrans-120.6164.3173.768.6172.9000108.9F124 W128 S373 M376 A377 T384 C386 F619F124-I382 HydrophobicContact CE2-CG2 4.15Å; W128-I382 HydrophobicContact CZ3-CG2 4.33Å; S373-I382 VanDerWaalsContact O-CD1 3.25Å; S373-I382 WeakPolarHBondContact O-CD1 3.25Å; S373-I382 WeakPolarHBondContact OG-CD1 3.28Å; M376-I382 HydrophobicContact CB-CD1 4.18Å; M376-I382 HydrophobicContact CB-CG1 4.17Å; M376-I382 HydrophobicContact CB-CG2 4.44Å; A377-I382 HydrophobicContact CB-CD1 4.07Å; A377-I382 HydrophobicContact CB-CG1 3.65Å; I382-T384 PolarHBondContact O-N 3.28Å; I382-C386 HydrophobicContact CD1-CB 4.15Å; I382-F619 WeakPolarHBondContact O-CE1 3.46Å
383P85.2Confident80.8Confident50 Ų5053.9 Ų53.933%0.32529%0.285SS..  trans-49.3127.6-176.4-30.536.9000113I385 C386P383-I385 PolarHBondContact O-N 3.39Å; P383-C386 WeakPolarHBondContact O-CB 3.33Å; P383-C386 PolarHBondContact O-N 2.97Å
384T81.1Confident80.2Confident70 Ų7061.4 Ų61.443%0.42932%0.318SS..G310 helixtrans-59.8-17.1-17451.40000113.6I382 C386 S387 F619I382-T384 PolarHBondContact O-N 3.28Å; T384-C386 PolarHBondContact O-N 3.48Å; T384-C386 VanDerWaalsContact O-N 3.16Å; T384-S387 PolarHBondContact O-N 3.34Å; T384-S387 PolarHBondContact O-OG 3.07Å; T384-F619 HydrophobicContact CG2-CZ 4.48Å
385I81.8Confident79.9Confident112 Ų11259.9 Ų59.957%0.57432%0.315SS*.G310 helixtrans-55.9-32.6172.6-50.6171.2000111P383 S387 H388 I398P383-I385 PolarHBondContact O-N 3.39Å; I385-S387 PolarHBondContact O-N 2.95Å; I385-H388 WeakPolarHBondContact O-CB 3.4Å; I385-H388 PolarHBondContact O-N 2.87Å; I385-I398 HydrophobicContact CG2-CD1 3.67Å; I385-I398 HydrophobicContact CG2-CG2 4.06Å
386C78Confident80Confident17 Ų1760 Ų6012%0.11531%0.314CS..G310 helixtrans-71.7-13.3177.5-66.10000113.8A377 I382 P383 T384A377-C386 HydrophobicContact CB-CB 3.7Å; I382-C386 HydrophobicContact CD1-CB 4.15Å; P383-C386 WeakPolarHBondContact O-CB 3.33Å; P383-C386 PolarHBondContact O-N 2.97Å; T384-C386 PolarHBondContact O-N 3.48Å; T384-C386 VanDerWaalsContact O-N 3.16Å
387S78.1Confident79.9Confident39 Ų3961 Ų6127%0.27332%0.323SS..G310 helixtrans-88.1-2.9174.374.60000113Y374 T384 I385 L389Y374-S387 WeakPolarHBondContact CE2-O 3.42Å; T384-S387 PolarHBondContact O-N 3.34Å; T384-S387 PolarHBondContact O-OG 3.07Å; I385-S387 PolarHBondContact O-N 2.95Å; S387-L389 PolarHBondContact O-N 3.36Å
388H78.3Confident79.9Confident121 Ų12164.2 Ų64.256%0.5634%0.339SS*.PPolyproline II helixtrans-72.5124.7179.2-158.9-37.1000111.3I385 I398I385-H388 WeakPolarHBondContact O-CB 3.4Å; I385-H388 PolarHBondContact O-N 2.87Å; H388-I398 HydrophobicContact CB-CD1 4.3Å
389L79.2Confident80.3Confident65 Ų6558.6 Ų58.634%0.3431%0.313SS..PPolyproline II helixtrans-93.9131.6173.6-61.9173.9000110.3Y374 S387 P396Y374-L389 HydrophobicContact CD2-CD2 3.94Å; Y374-L389 HydrophobicContact CE2-CD1 4.17Å; Y374-L389 HydrophobicContact CE2-CD2 3.59Å; Y374-L389 HydrophobicContact CE2-CG 3.78Å; S387-L389 PolarHBondContact O-N 3.36Å; L389-P396 HydrophobicContact CD2-CB 4.07Å
390C75.9Confident80.6Confident47 Ų4757.7 Ų57.732%0.31831%0.308SS..BIsolated β-bridgetrans-88.7137.8174.6-67.30000110.8K394 T395 A397C390-K394 VanDerWaalsContact O-CA 3.27Å; C390-K394 WeakPolarHBondContact O-CA 3.36Å; C390-K394 PolarHBondContact O-N 3.47Å; C390-T395 PolarHBondContact N-O 2.95Å; C390-T395 PolarHBondContact O-N 3.33Å; C390-A397 HydrophobicContact CB-CB 4.12Å; C390-A397 VanDerWaalsContact SG-CB 3.55Å
391Q74.6Confident80.9Confident174 Ų17461.3 Ų61.381%0.81333%0.33SS*.THydrogen-bonded Turntrans-89.2152170.7-68.1-164.71.700110.3
392P74Confident81.2Confident102 Ų10265 Ų6566%0.66235%0.346SS*.THydrogen-bonded Turncis-87.2-16.48.933.1-35000115.1K394P392-K394 VanDerWaalsContact C-N 3.32Å; P392-K394 PolarHBondContact O-N 3.18Å
393F69.7Low81.4Confident106 Ų10664.7 Ų64.747%0.46535%0.345SS..THydrogen-bonded Turntrans-80.5-7.6-168.5-56.9-66.7000115.1C196 T395C196-F393 HydrophobicContact CB-CE2 4.46Å; C196-F393 VanDerWaalsContact O-CD1 3.24Å; C196-F393 WeakPolarHBondContact O-CD1 3.28Å; C196-F393 WeakPolarHBondContact O-CE1 3.38Å; C196-F393 WeakPolarHBondContact O-CE2 3.44Å; C196-F393 WeakPolarHBondContact O-CG 3.31Å; C196-F393 WeakPolarHBondContact O-CZ 3.3Å; F393-T395 HydrophobicContact CB-CG2 3.95Å; F393-T395 PolarHBondContact O-N 2.88Å
394K72.3Confident81.9Confident158 Ų15863 Ų6369%0.68733%0.333SS*.THydrogen-bonded Turntrans56.139.8-173.9-57.8-175.6177.5-174.50112C390 P392C390-K394 VanDerWaalsContact O-CA 3.27Å; C390-K394 WeakPolarHBondContact O-CA 3.36Å; C390-K394 PolarHBondContact O-N 3.47Å; P392-K394 VanDerWaalsContact C-N 3.32Å; P392-K394 PolarHBondContact O-N 3.18Å
395T77Confident82.6Confident25 Ų2564.2 Ų64.215%0.15334%0.336CS..BIsolated β-bridgetrans-101140.4179.447.20000110.5C195 C390 F393 A397C195-T395 PolarHBondContact O-OG1 3.06Å; C390-T395 PolarHBondContact N-O 2.95Å; C390-T395 PolarHBondContact O-N 3.33Å; F393-T395 HydrophobicContact CB-CG2 3.95Å; F393-T395 PolarHBondContact O-N 2.88Å; T395-A397 VanDerWaalsContact C-N 3.3Å; T395-A397 PolarHBondContact O-N 3.45Å
396P80.6Confident83.2Confident19 Ų1960.5 Ų60.512%0.12332%0.317CS..  trans-78.777.9177.332.8-35.2000110.3P370 Y374 L389 I398 S399 T400P370-P396 HydrophobicContact CB-CG 3.95Å; Y374-P396 HydrophobicContact CD2-CB 4.28Å; L389-P396 HydrophobicContact CD2-CB 4.07Å; P396-I398 VanDerWaalsContact C-N 3.34Å; P396-I398 PolarHBondContact O-N 3.3Å; P396-S399 PolarHBondContact O-N 2.96Å; P396-T400 PolarHBondContact O-N 3.36Å; P396-T400 PolarHBondContact O-OG1 2.79Å
397A85Confident84.1Confident23 Ų2359.7 Ų59.719%0.1931%0.312CS..Hα-helixtrans-62.5-38.4-173.100000112.7C390 T395 T400 T401C390-A397 HydrophobicContact CB-CB 4.12Å; C390-A397 VanDerWaalsContact SG-CB 3.55Å; T395-A397 VanDerWaalsContact C-N 3.3Å; T395-A397 PolarHBondContact O-N 3.45Å; A397-T400 WeakPolarHBondContact O-CB 3.42Å; A397-T400 PolarHBondContact O-N 3.5Å; A397-T401 PolarHBondContact O-N 3.37Å; A397-T401 PolarHBondContact O-OG1 2.88Å
398I86.9Confident85Confident68 Ų6858.5 Ų58.535%0.34930%0.304SS..Hα-helixtrans-65.4-46.5-180-58.5176.2000111.1I385 H388 P396 T400 T401 F402I385-I398 HydrophobicContact CG2-CD1 3.67Å; I385-I398 HydrophobicContact CG2-CG2 4.06Å; H388-I398 HydrophobicContact CB-CD1 4.3Å; P396-I398 VanDerWaalsContact C-N 3.34Å; P396-I398 PolarHBondContact O-N 3.3Å; I398-T400 VanDerWaalsContact C-N 3.27Å; I398-T400 PolarHBondContact O-N 3.36Å; I398-T401 PolarHBondContact O-N 3.24Å; I398-F402 PolarHBondContact O-N 3.48Å
399S87.7Confident85.9Confident1 Ų157.3 Ų57.31%0.00730%0.301CS..Hα-helixtrans-61.1-39.9175-179.10000111.2P370 S373 P396 F402 V403P370-S399 WeakPolarHBondContact CA-OG 3.32Å; P370-S399 PolarHBondContact O-OG 3.44Å; S373-S399 WeakPolarHBondContact CB-OG 3.18Å; S373-S399 PolarHBondContact OG-OG 3.2Å; P396-S399 PolarHBondContact O-N 2.96Å; S399-F402 PolarHBondContact O-N 3.33Å; S399-V403 WeakPolarHBondContact O-CG2 3.41Å; S399-V403 PolarHBondContact O-N 2.92Å
400T89.5Confident86.7Confident8 Ų855.5 Ų55.55%0.04929%0.292CS..Hα-helixtrans-62.8-45.7176.2-51.90000111.5C195 P370 P396 A397 I398 F402 V403 T404C195-T400 VanDerWaalsContact SG-CG2 3.59Å; P370-T400 HydrophobicContact CG-CG2 4.27Å; P370-T400 WeakPolarHBondContact CG-OG1 3.4Å; P396-T400 PolarHBondContact O-N 3.36Å; P396-T400 PolarHBondContact O-OG1 2.79Å; A397-T400 WeakPolarHBondContact O-CB 3.42Å; A397-T400 PolarHBondContact O-N 3.5Å; I398-T400 VanDerWaalsContact C-N 3.27Å; I398-T400 PolarHBondContact O-N 3.36Å; T400-F402 PolarHBondContact O-N 2.68Å; T400-V403 PolarHBondContact O-N 2.95Å; T400-T404 VanDerWaalsContact O-CB 3.25Å; T400-T404 WeakPolarHBondContact O-CB 3.31Å; T400-T404 PolarHBondContact O-N 3.07Å; T400-T404 PolarHBondContact O-OG1 2.95Å
401T90.8Very high87.7Confident76 Ų7653.3 Ų53.347%0.46628%0.277SS..Hα-helixtrans-61-44.2176.2-59.90000111.5A397 I398 T404 I405A397-T401 PolarHBondContact O-N 3.37Å; A397-T401 PolarHBondContact O-OG1 2.88Å; I398-T401 PolarHBondContact O-N 3.24Å; T401-T404 PolarHBondContact O-N 3.49Å; T401-I405 HydrophobicContact CG2-CD1 3.83Å; T401-I405 HydrophobicContact CG2-CG1 4.41Å; T401-I405 VanDerWaalsContact O-CG1 3.28Å; T401-I405 WeakPolarHBondContact O-CG1 3.47Å; T401-I405 PolarHBondContact O-N 2.97Å
402F90.6Very high88.7Confident77 Ų7746.8 Ų46.834%0.33825%0.248SC..Hα-helixtrans-57.9-51.7176.1169.1-103000112L131 I398 S399 T400 T404 I405 I406L131-F402 HydrophobicContact CD2-CE1 4.46Å; I398-F402 PolarHBondContact O-N 3.48Å; S399-F402 PolarHBondContact O-N 3.33Å; T400-F402 PolarHBondContact O-N 2.68Å; F402-T404 VanDerWaalsContact C-N 3.32Å; F402-T404 PolarHBondContact O-N 3.11Å; F402-I405 PolarHBondContact O-N 3.46Å; F402-I406 HydrophobicContact CD2-CD1 4.16Å; F402-I406 HydrophobicContact CE1-CD1 3.91Å; F402-I406 HydrophobicContact CE2-CD1 3.49Å; F402-I406 VanDerWaalsContact CE2-CD1 3.49Å; F402-I406 HydrophobicContact CE2-CG1 4.45Å; F402-I406 HydrophobicContact CZ-CD1 3.35Å; F402-I406 PolarHBondContact O-N 3.27Å
403V93.1Very high89.7Confident1 Ų144.6 Ų44.61%0.00623%0.23CC..Hα-helixtrans-60-43.3177.2169.10000111L131 I135 I138 A369 S399 T400 I406 T407L131-V403 HydrophobicContact CD1-CG2 4.2Å; I135-V403 HydrophobicContact CG1-CG1 4.07Å; I138-V403 HydrophobicContact CD1-CG1 4.18Å; A369-V403 HydrophobicContact CB-CG1 3.96Å; A369-V403 HydrophobicContact CB-CG2 4.42Å; S399-V403 WeakPolarHBondContact O-CG2 3.41Å; S399-V403 PolarHBondContact O-N 2.92Å; T400-V403 PolarHBondContact O-N 2.95Å; V403-I406 PolarHBondContact O-N 3.24Å; V403-T407 VanDerWaalsContact O-CB 3.27Å; V403-T407 WeakPolarHBondContact O-CB 3.44Å; V403-T407 PolarHBondContact O-N 3.41Å; V403-T407 PolarHBondContact O-OG1 2.96Å
404T95.3Very high90.8Very high13 Ų1341.5 Ų41.58%0.0822%0.216CC..Hα-helixtrans-63.2-44-178.1-59.10000111.6I187 S191 T400 T401 F402 T407 A408I187-T404 HydrophobicContact CG2-CG2 3.8Å; S191-T404 WeakPolarHBondContact CB-OG1 3.5Å; S191-T404 VanDerWaalsContact OG-CG2 3.28Å; S191-T404 WeakPolarHBondContact OG-CG2 3.46Å; T400-T404 VanDerWaalsContact O-CB 3.25Å; T400-T404 WeakPolarHBondContact O-CB 3.31Å; T400-T404 PolarHBondContact O-N 3.07Å; T400-T404 PolarHBondContact O-OG1 2.95Å; T401-T404 PolarHBondContact O-N 3.49Å; F402-T404 VanDerWaalsContact C-N 3.32Å; F402-T404 PolarHBondContact O-N 3.11Å; T404-T407 PolarHBondContact O-N 3.33Å; T404-A408 WeakPolarHBondContact O-CB 3.44Å; T404-A408 PolarHBondContact O-N 3.28Å
405I95.8Very high91.7Very high96 Ų9634.4 Ų34.449%0.49219%0.187SC..Hα-helixtrans-61.1-49.2178.9-70.8166.5000110.7T401 F402 A408 L409T401-I405 HydrophobicContact CG2-CD1 3.83Å; T401-I405 HydrophobicContact CG2-CG1 4.41Å; T401-I405 VanDerWaalsContact O-CG1 3.28Å; T401-I405 WeakPolarHBondContact O-CG1 3.47Å; T401-I405 PolarHBondContact O-N 2.97Å; F402-I405 PolarHBondContact O-N 3.46Å; I405-A408 PolarHBondContact O-N 3.41Å; I405-L409 HydrophobicContact CG2-CD1 4.13Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 3.44Å
406I95.3Very high92.3Very high35 Ų3533.3 Ų33.318%0.17918%0.18CC..Hα-helixtrans-64.5-46.3-179.1-62177.8000110.3I135 F402 V403 A408 L409 L410 W608I135-I406 HydrophobicContact CD1-CG2 4.41Å; I135-I406 HydrophobicContact CG2-CB 4.41Å; I135-I406 HydrophobicContact CG2-CG2 3.72Å; F402-I406 HydrophobicContact CD2-CD1 4.16Å; F402-I406 HydrophobicContact CE1-CD1 3.91Å; F402-I406 HydrophobicContact CE2-CD1 3.49Å; F402-I406 VanDerWaalsContact CE2-CD1 3.49Å; F402-I406 HydrophobicContact CE2-CG1 4.45Å; F402-I406 HydrophobicContact CZ-CD1 3.35Å; F402-I406 PolarHBondContact O-N 3.27Å; V403-I406 PolarHBondContact O-N 3.24Å; I406-A408 VanDerWaalsContact C-N 3.34Å; I406-A408 PolarHBondContact O-N 3.02Å; I406-L409 PolarHBondContact O-N 2.87Å; I406-L410 HydrophobicContact CG2-CD1 3.97Å; I406-L410 HydrophobicContact CG2-CG 4.31Å; I406-L410 WeakPolarHBondContact O-CG 3.39Å; I406-L410 PolarHBondContact O-N 2.9Å; I406-W608 HydrophobicContact CD1-CH2 4.27Å
407T96.8Very high92.5Very high0 Ų033.6 Ų33.60%018%0.18CC..Hα-helixtrans-61.1-43.1179.5-550000111.5I138 S139 I187 V403 T404 L410 T411I138-T407 HydrophobicContact CB-CG2 3.61Å; I138-T407 HydrophobicContact CG2-CG2 3.45Å; I138-T407 VanDerWaalsContact CG2-CG2 3.45Å; S139-T407 WeakPolarHBondContact OG-CA 3.32Å; S139-T407 WeakPolarHBondContact OG-CG2 3.2Å; S139-T407 PolarHBondContact OG-O 3.32Å; I187-T407 HydrophobicContact CD1-CG2 3.69Å; I187-T407 HydrophobicContact CG1-CG2 4.34Å; I187-T407 HydrophobicContact CG2-CG2 4.36Å; V403-T407 VanDerWaalsContact O-CB 3.27Å; V403-T407 WeakPolarHBondContact O-CB 3.44Å; V403-T407 PolarHBondContact O-N 3.41Å; V403-T407 PolarHBondContact O-OG1 2.96Å; T404-T407 PolarHBondContact O-N 3.33Å; T407-L410 PolarHBondContact O-N 3.49Å; T407-T411 VanDerWaalsContact O-CB 3.3Å; T407-T411 WeakPolarHBondContact O-CB 3.07Å; T407-T411 PolarHBondContact O-N 3.44Å; T407-T411 PolarHBondContact O-OG1 2.85Å
408A97.7Very high92.7Very high14 Ų1433 Ų3312%0.11618%0.175CC..Hα-helixtrans-61.2-45.5176.200000111.6V184 T404 I405 I406 L410 T411 L412V184-A408 HydrophobicContact CG1-CB 4.03Å; V184-A408 HydrophobicContact CG2-CB 4.34Å; V184-A408 VanDerWaalsContact CG2-O 3.31Å; V184-A408 WeakPolarHBondContact CG2-O 3.29Å; T404-A408 WeakPolarHBondContact O-CB 3.44Å; T404-A408 PolarHBondContact O-N 3.28Å; I405-A408 PolarHBondContact O-N 3.41Å; I406-A408 VanDerWaalsContact C-N 3.34Å; I406-A408 PolarHBondContact O-N 3.02Å; A408-L410 PolarHBondContact O-N 3.29Å; A408-T411 PolarHBondContact O-N 2.99Å; A408-L412 VanDerWaalsContact O-CB 3.28Å; A408-L412 WeakPolarHBondContact O-CB 3.11Å; A408-L412 PolarHBondContact O-N 2.91Å
409L96.7Very high92.9Very high95 Ų9529.8 Ų29.850%0.49716%0.159SC..Hα-helixtrans-61.7-42.8176.8-72.1171.1000112.3I405 I406 L412 I413I405-L409 HydrophobicContact CG2-CD1 4.13Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 3.44Å; I406-L409 PolarHBondContact O-N 2.87Å; L409-L412 PolarHBondContact O-N 2.99Å; L409-I413 WeakPolarHBondContact O-CG1 3.33Å; L409-I413 PolarHBondContact O-N 3.22Å
410L95.5Very high92.9Very high28 Ų2829.8 Ų29.815%0.14716%0.158CC..Hα-helixtrans-67.4-42.7178.4-67.6177.5000111.9I135 L136 I406 T407 A408 L412 I413 F414 L419I135-L410 HydrophobicContact CG2-CD1 3.58Å; L136-L410 HydrophobicContact CD2-CD1 3.91Å; I406-L410 HydrophobicContact CG2-CD1 3.97Å; I406-L410 HydrophobicContact CG2-CG 4.31Å; I406-L410 WeakPolarHBondContact O-CG 3.39Å; I406-L410 PolarHBondContact O-N 2.9Å; T407-L410 PolarHBondContact O-N 3.49Å; A408-L410 PolarHBondContact O-N 3.29Å; L410-L412 VanDerWaalsContact C-N 3.3Å; L410-L412 PolarHBondContact O-N 2.86Å; L410-I413 PolarHBondContact O-N 3.13Å; L410-F414 HydrophobicContact CB-CD2 4.45Å; L410-F414 HydrophobicContact CD2-CD2 3.67Å; L410-F414 HydrophobicContact CD2-CE2 3.55Å; L410-F414 WeakPolarHBondContact O-CB 3.23Å; L410-F414 PolarHBondContact O-N 3.31Å; L410-L419 HydrophobicContact CB-CD2 4.26Å
411T96.6Very high92.8Very high0 Ų030.4 Ų30.40%016%0.161CC..Hα-helixtrans-59.5-41.7175.2-58.10000111.4S139 A142 R143 V184 I187 T407 A408 I413S139-T411 VanDerWaalsContact CA-OG1 3.22Å; S139-T411 WeakPolarHBondContact CA-OG1 3.34Å; S139-T411 WeakPolarHBondContact CB-OG1 3.48Å; A142-T411 HydrophobicContact CB-CG2 4.11Å; R143-T411 HydrophobicContact CG-CG2 3.71Å; R143-T411 PolarHBondContact NH1-O 2.99Å; V184-T411 HydrophobicContact CG2-CG2 4.43Å; I187-T411 HydrophobicContact CD1-CG2 3.91Å; I187-T411 WeakPolarHBondContact CD1-OG1 3.27Å; T407-T411 VanDerWaalsContact O-CB 3.3Å; T407-T411 WeakPolarHBondContact O-CB 3.07Å; T407-T411 PolarHBondContact O-N 3.44Å; T407-T411 PolarHBondContact O-OG1 2.85Å; A408-T411 PolarHBondContact O-N 2.99Å; T411-I413 VanDerWaalsContact C-N 3.33Å; T411-I413 PolarHBondContact O-N 3.34Å
412L96.4Very high92.7Very high38 Ų3827.5 Ų27.520%0.19914%0.142CC..Hα-helixtrans-62.8-39.5-178.5-174.265.9000112.2Y179 D180 F181 V184 A408 L409 L410Y179-L412 WeakPolarHBondContact CA-O 3.31Å; Y179-L412 HydrophobicContact CD1-CD1 4.12Å; Y179-L412 HydrophobicContact CD1-CG 3.89Å; Y179-L412 HydrophobicContact CG-CD1 4.39Å; D180-L412 PolarHBondContact N-O 3.38Å; F181-L412 HydrophobicContact CD1-CD1 4.04Å; F181-L412 HydrophobicContact CE1-CD1 4.01Å; V184-L412 HydrophobicContact CG2-CB 3.89Å; V184-L412 HydrophobicContact CG2-CD1 4.16Å; A408-L412 VanDerWaalsContact O-CB 3.28Å; A408-L412 WeakPolarHBondContact O-CB 3.11Å; A408-L412 PolarHBondContact O-N 2.91Å; L409-L412 PolarHBondContact O-N 2.99Å; L410-L412 VanDerWaalsContact C-N 3.3Å; L410-L412 PolarHBondContact O-N 2.86Å
413I94.3Very high92.6Very high56 Ų5624.2 Ų24.229%0.28713%0.128SC..Hα-helixtrans-107.1-34.9-163.3-62169.8000113.4L168 L175 A176 L409 L410 T411L168-I413 HydrophobicContact CD2-CG2 4.46Å; L175-I413 WeakPolarHBondContact CA-O 3.11Å; L175-I413 HydrophobicContact CD2-CG2 3.49Å; L175-I413 VanDerWaalsContact CD2-CG2 3.49Å; A176-I413 PolarHBondContact N-O 3.42Å; L409-I413 WeakPolarHBondContact O-CG1 3.33Å; L409-I413 PolarHBondContact O-N 3.22Å; L410-I413 PolarHBondContact O-N 3.13Å; T411-I413 VanDerWaalsContact C-N 3.33Å; T411-I413 PolarHBondContact O-N 3.34Å
414F93.6Very high92.4Very high40 Ų4024.1 Ų24.118%0.17513%0.128CC..BIsolated β-bridgetrans-96.3149.6-171.9-74.1-81.6000113.1R143 V174 L175 L410 L419R143-F414 WeakPolarHBondContact CD-O 3.46Å; R143-F414 PolarHBondContact NE-O 3.33Å; R143-F414 PolarHBondContact NH1-O 2.92Å; V174-F414 HydrophobicContact CG1-CD1 4.31Å; V174-F414 HydrophobicContact CG1-CE1 4.01Å; L175-F414 HydrophobicContact CD2-CE1 4.49Å; L410-F414 HydrophobicContact CB-CD2 4.45Å; L410-F414 HydrophobicContact CD2-CD2 3.67Å; L410-F414 HydrophobicContact CD2-CE2 3.55Å; L410-F414 WeakPolarHBondContact O-CB 3.23Å; L410-F414 PolarHBondContact O-N 3.31Å; F414-L419 HydrophobicContact CB-CD1 4.42Å; F414-L419 HydrophobicContact CB-CD2 3.83Å; F414-L419 HydrophobicContact CB-CG 3.87Å; F414-L419 HydrophobicContact CG-CD2 4.45Å
415S90.8Very high92Very high10 Ų1023.5 Ų23.57%0.0712%0.124CC..  trans-75159.5173.459.70000112.2G173 V174 D417 S418 L419G173-S415 PolarHBondContact O-OG 2.96Å; V174-S415 PolarHBondContact O-N 3.49Å; V174-S415 PolarHBondContact O-OG 3.27Å; S415-D417 VanDerWaalsContact C-N 3.35Å; S415-D417 PolarHBondContact O-N 3.38Å; S415-S418 PolarHBondContact O-N 2.94Å; S415-S418 VanDerWaalsContact OG-CB 3.32Å; S415-S418 WeakPolarHBondContact OG-CB 3.4Å; S415-S418 PolarHBondContact OG-N 2.63Å; S415-S418 PolarHBondContact OG-OG 2.91Å; S415-L419 WeakPolarHBondContact O-CG 3.35Å; S415-L419 PolarHBondContact O-N 3.12Å
416V89.1Confident91.4Very high2 Ų219 Ų191%0.01210%0.101CC..Hα-helixtrans-55.7-49.9176.7173.40000110.6V65 L140 R143 S418 L419 A420V65-V416 HydrophobicContact CB-CG1 4.28Å; V65-V416 HydrophobicContact CG1-CB 4.38Å; V65-V416 HydrophobicContact CG1-CG1 3.73Å; V65-V416 HydrophobicContact CG1-CG2 4.41Å; L140-V416 HydrophobicContact CD1-CB 4.3Å; L140-V416 HydrophobicContact CD1-CG1 3.53Å; L140-V416 VanDerWaalsContact CD1-O 3.3Å; L140-V416 WeakPolarHBondContact CD1-O 3.25Å; R143-V416 HydrophobicContact CB-CG2 3.73Å; V416-S418 VanDerWaalsContact C-N 3.31Å; V416-S418 PolarHBondContact O-N 3.45Å; V416-L419 PolarHBondContact O-N 3.49Å; V416-A420 WeakPolarHBondContact O-CB 3.46Å; V416-A420 PolarHBondContact O-N 3.08Å
417D85.3Confident91Very high24 Ų2417.3 Ų17.313%0.1289%0.092CC..Hα-helixtrans-57.4-44.6178.8-60.3-33000111.8A69 R73 S415 L419 A420 D421A69-D417 WeakPolarHBondContact CB-OD1 3.28Å; R73-D417 IonicContact CZ-OD2 3.8Å; R73-D417 IonicContact NH1-OD2 2.6Å; R73-D417 PolarHBondContact NH1-OD2 3.33Å; R73-D417 IonicContact NH2-OD2 2.7Å; S415-D417 VanDerWaalsContact C-N 3.35Å; S415-D417 PolarHBondContact O-N 3.38Å; D417-L419 PolarHBondContact O-N 2.88Å; D417-A420 PolarHBondContact O-N 3.46Å; D417-D421 PolarHBondContact O-N 3.19Å
418S88.8Confident90.7Very high10 Ų1017.3 Ų17.37%0.079%0.092CC..Hα-helixtrans-66.3-36.6-179.6-82.70000113.3V174 S415 V416 F422 R604V174-S418 VanDerWaalsContact CA-OG 3.31Å; V174-S418 WeakPolarHBondContact CA-OG 3.32Å; V174-S418 WeakPolarHBondContact O-CB 3.38Å; V174-S418 PolarHBondContact O-OG 2.74Å; S415-S418 PolarHBondContact O-N 2.94Å; S415-S418 VanDerWaalsContact OG-CB 3.32Å; S415-S418 WeakPolarHBondContact OG-CB 3.4Å; S415-S418 PolarHBondContact OG-N 2.63Å; S415-S418 PolarHBondContact OG-OG 2.91Å; V416-S418 VanDerWaalsContact C-N 3.31Å; V416-S418 PolarHBondContact O-N 3.45Å; S418-F422 VanDerWaalsContact O-CB 3.29Å; S418-F422 WeakPolarHBondContact O-CB 3.17Å; S418-F422 PolarHBondContact O-N 3.23Å; S418-R604 PolarHBondContact O-NH1 2.84Å; S418-R604 PolarHBondContact OG-NH2 3.02Å
419L90.6Very high90.2Very high2 Ų218.4 Ų18.41%0.0110%0.096CC..Hα-helixtrans-69.4-41.3175.7-69.4170.7000110.9L136 L140 R143 L410 F414 S415 V416 D417 F422 M423L136-L419 HydrophobicContact CD2-CD2 3.79Å; L140-L419 HydrophobicContact CB-CB 4.22Å; L140-L419 HydrophobicContact CD1-CB 4.14Å; R143-L419 HydrophobicContact CG-CD1 4.23Å; L410-L419 HydrophobicContact CB-CD2 4.26Å; F414-L419 HydrophobicContact CB-CD1 4.42Å; F414-L419 HydrophobicContact CB-CD2 3.83Å; F414-L419 HydrophobicContact CB-CG 3.87Å; F414-L419 HydrophobicContact CG-CD2 4.45Å; S415-L419 WeakPolarHBondContact O-CG 3.35Å; S415-L419 PolarHBondContact O-N 3.12Å; V416-L419 PolarHBondContact O-N 3.49Å; D417-L419 PolarHBondContact O-N 2.88Å; L419-F422 PolarHBondContact O-N 3.11Å; L419-M423 WeakPolarHBondContact O-CB 3.27Å; L419-M423 PolarHBondContact O-N 3.04Å
420A89.3Confident89.8Confident0 Ų013.9 Ų13.90%07%0.072CC..Hα-helixtrans-65.1-46.2178.300000112.5L66 L140 N267 V416 D417 F422 M423 S424L66-A420 HydrophobicContact CD1-CB 3.64Å; L66-A420 HydrophobicContact CD2-CB 3.81Å; L66-A420 HydrophobicContact CG-CB 4.39Å; L140-A420 HydrophobicContact CD1-CB 4.12Å; L140-A420 HydrophobicContact CD2-CB 4.16Å; N267-A420 PolarHBondContact ND2-O 2.98Å; N267-A420 PolarHBondContact OD1-O 3.39Å; V416-A420 WeakPolarHBondContact O-CB 3.46Å; V416-A420 PolarHBondContact O-N 3.08Å; D417-A420 PolarHBondContact O-N 3.46Å; A420-F422 PolarHBondContact O-N 3Å; A420-M423 PolarHBondContact O-N 3.43Å; A420-S424 PolarHBondContact O-N 2.91Å; A420-S424 VanDerWaalsContact O-N 3.08Å; A420-S424 PolarHBondContact O-OG 3.42Å
421D87.1Confident89.5Confident21 Ų2112.5 Ų12.511%0.1127%0.065CC..Hα-helixtrans-58.2-41.3173.8-82.3-11.4000111.1I264 D417 T601I264-D421 WeakPolarHBondContact CD1-OD1 3.25Å; I264-D421 WeakPolarHBondContact CG1-OD1 3.16Å; D417-D421 PolarHBondContact O-N 3.19Å; D421-T601 VanDerWaalsContact O-CG2 3.23Å; D421-T601 WeakPolarHBondContact O-CG2 3.28Å
422F88Confident89.4Confident16 Ų1613 Ų137%0.077%0.068CC..Hα-helixtrans-68.9-41.6-179.7-167.9-164.8000112.9L132 L136 S418 L419 A420 R604 F605L132-F422 HydrophobicContact CD1-CE1 4.24Å; L132-F422 HydrophobicContact CD1-CZ 4.05Å; L132-F422 HydrophobicContact CD2-CE2 3.67Å; L132-F422 HydrophobicContact CD2-CZ 3.67Å; L132-F422 HydrophobicContact CG-CZ 4.35Å; L136-F422 HydrophobicContact CD1-CB 3.92Å; L136-F422 HydrophobicContact CD1-CD1 3.55Å; L136-F422 HydrophobicContact CD1-CD2 3.93Å; L136-F422 HydrophobicContact CD1-CE1 3.96Å; L136-F422 HydrophobicContact CD1-CE2 4.29Å; L136-F422 HydrophobicContact CD1-CG 3.51Å; L136-F422 HydrophobicContact CD1-CZ 4.31Å; L136-F422 HydrophobicContact CD2-CB 4.38Å; L136-F422 HydrophobicContact CD2-CD1 3.38Å; L136-F422 HydrophobicContact CD2-CE1 3.86Å; L136-F422 HydrophobicContact CD2-CG 4.1Å; L136-F422 HydrophobicContact CG-CD1 4.11Å; L136-F422 HydrophobicContact CG-CE1 4.45Å; L136-F422 HydrophobicContact CG-CG 4.49Å; S418-F422 VanDerWaalsContact O-CB 3.29Å; S418-F422 WeakPolarHBondContact O-CB 3.17Å; S418-F422 PolarHBondContact O-N 3.23Å; L419-F422 PolarHBondContact O-N 3.11Å; A420-F422 PolarHBondContact O-N 3Å; F422-R604 HydrophobicContact CD1-CB 4.16Å; F422-R604 HydrophobicContact CD2-CB 4.04Å; F422-R604 HydrophobicContact CE1-CB 3.83Å; F422-R604 HydrophobicContact CE2-CB 3.71Å; F422-R604 HydrophobicContact CG-CB 4.28Å; F422-R604 HydrophobicContact CZ-CB 3.6Å; F422-F605 HydrophobicContact CE2-CB 3.93Å; F422-F605 HydrophobicContact CE2-CD2 4.32Å
423M89.5Confident89.1Confident7 Ų712.3 Ų12.33%0.0347%0.065CC..Hα-helixtrans-61.2-47.5177.4-174.6170.67000111.2E133 L136 G137 L140 N267 I270 L419 A420 L425 G426 T427E133-M423 HydrophobicContact CG-CG 4.23Å; L136-M423 HydrophobicContact CB-CB 4.03Å; L136-M423 HydrophobicContact CB-CG 4.38Å; L136-M423 HydrophobicContact CD1-CB 4.36Å; G137-M423 WeakPolarHBondContact CA-SD 3.39Å; L140-M423 HydrophobicContact CD2-CE 3.5Å; L140-M423 VanDerWaalsContact CD2-CE 3.5Å; L140-M423 HydrophobicContact CD2-SD 4.35Å; N267-M423 HydrophobicContact CB-CE 3.88Å; N267-M423 WeakPolarHBondContact OD1-CE 3.23Å; I270-M423 HydrophobicContact CB-CE 4.34Å; I270-M423 HydrophobicContact CD1-CE 3.98Å; I270-M423 HydrophobicContact CD1-CG 3.98Å; I270-M423 HydrophobicContact CG2-CE 4.35Å; I270-M423 HydrophobicContact CG2-CG 4.38Å; I270-M423 HydrophobicContact CG2-SD 4.17Å; L419-M423 WeakPolarHBondContact O-CB 3.27Å; L419-M423 PolarHBondContact O-N 3.04Å; A420-M423 PolarHBondContact O-N 3.43Å; M423-L425 VanDerWaalsContact C-N 3.32Å; M423-L425 PolarHBondContact O-N 3.23Å; M423-G426 PolarHBondContact O-N 3.47Å; M423-T427 PolarHBondContact O-N 3.17Å; M423-T427 PolarHBondContact O-OG1 3.25Å; M423-T427 VanDerWaalsContact O-OG1 3.13Å
424S87.7Confident88.9Confident0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-56.5-40.4-177.6-71.60000114A263 N267 A420 L428A263-S424 PolarHBondContact O-OG 2.77Å; N267-S424 PolarHBondContact ND2-OG 2.92Å; N267-S424 PolarHBondContact OD1-OG 2.61Å; A420-S424 PolarHBondContact O-N 2.91Å; A420-S424 VanDerWaalsContact O-N 3.08Å; A420-S424 PolarHBondContact O-OG 3.42Å; S424-L428 WeakPolarHBondContact O-CB 3.02Å; S424-L428 VanDerWaalsContact O-CG 3.25Å; S424-L428 WeakPolarHBondContact O-CG 3.04Å; S424-L428 PolarHBondContact O-N 3.09Å
425L87.7Confident88.9Confident0 Ų07.8 Ų7.80%04%0.043CC..Hα-helixtrans-62.7-49.6-179.9-171.4154.8000111.1M423 T427 L428 I429 L597 T601 W602 F605M423-L425 VanDerWaalsContact C-N 3.32Å; M423-L425 PolarHBondContact O-N 3.23Å; L425-T427 VanDerWaalsContact C-N 3.33Å; L425-T427 PolarHBondContact O-N 3.33Å; L425-L428 PolarHBondContact O-N 3.42Å; L425-I429 HydrophobicContact CD2-CD1 3.47Å; L425-I429 VanDerWaalsContact CD2-CD1 3.47Å; L425-I429 HydrophobicContact CD2-CG1 4.34Å; L425-I429 HydrophobicContact CG-CD1 4.36Å; L425-I429 WeakPolarHBondContact O-CG1 3.5Å; L425-I429 PolarHBondContact O-N 2.86Å; L425-I429 VanDerWaalsContact O-N 3.13Å; L425-L597 HydrophobicContact CB-CD1 3.58Å; L425-L597 HydrophobicContact CD1-CD1 4.44Å; L425-L597 HydrophobicContact CG-CD1 4.21Å; L425-T601 HydrophobicContact CB-CG2 3.71Å; L425-T601 HydrophobicContact CD1-CG2 3.71Å; L425-T601 HydrophobicContact CG-CG2 4.33Å; L425-W602 HydrophobicContact CD1-CD2 3.88Å; L425-W602 HydrophobicContact CD1-CE3 4.28Å; L425-W602 HydrophobicContact CD1-CG 4.03Å; L425-F605 HydrophobicContact CD1-CB 4.4Å; L425-F605 HydrophobicContact CD2-CB 3.6Å; L425-F605 HydrophobicContact CD2-CD1 3.4Å; L425-F605 HydrophobicContact CD2-CD2 3.47Å; L425-F605 VanDerWaalsContact CD2-CD2 3.47Å; L425-F605 HydrophobicContact CD2-CE1 3.84Å; L425-F605 HydrophobicContact CD2-CE2 3.91Å; L425-F605 HydrophobicContact CD2-CG 3.18Å; L425-F605 HydrophobicContact CD2-CZ 4.07Å
426G81.8Confident89.1Confident1 Ų18.3 Ų8.31%0.015%0.045CC..Hα-helixtrans-60.5-44.2-17800000112.1M423 I429 A430M423-G426 PolarHBondContact O-N 3.47Å; G426-I429 PolarHBondContact O-N 2.85Å; G426-A430 PolarHBondContact O-N 3.03Å
427T87.6Confident89.2Confident0 Ų08.2 Ų8.20%04%0.044CC..Hα-helixtrans-67.2-45.2-179.7-53.20000112.6E133 F266 I270 M423 L425 I429 A430 Y431E133-T427 VanDerWaalsContact CG-OG1 3.29Å; E133-T427 WeakPolarHBondContact CG-OG1 3.44Å; E133-T427 WeakPolarHBondContact OE2-CA 3.49Å; E133-T427 WeakPolarHBondContact OE2-CB 3.36Å; E133-T427 WeakPolarHBondContact OE2-CG2 3.27Å; E133-T427 PolarHBondContact OE2-OG1 2.77Å; F266-T427 HydrophobicContact CE1-CG2 4.28Å; I270-T427 HydrophobicContact CD1-CG2 4.03Å; I270-T427 HydrophobicContact CG1-CG2 4.03Å; I270-T427 HydrophobicContact CG2-CG2 4.28Å; M423-T427 PolarHBondContact O-N 3.17Å; M423-T427 PolarHBondContact O-OG1 3.25Å; M423-T427 VanDerWaalsContact O-OG1 3.13Å; L425-T427 VanDerWaalsContact C-N 3.33Å; L425-T427 PolarHBondContact O-N 3.33Å; T427-I429 VanDerWaalsContact C-N 3.27Å; T427-I429 PolarHBondContact O-N 3.47Å; T427-A430 PolarHBondContact O-N 2.84Å; T427-A430 VanDerWaalsContact O-N 3.16Å; T427-Y431 HydrophobicContact CG2-CD1 4.1Å; T427-Y431 HydrophobicContact CG2-CD2 3.88Å; T427-Y431 HydrophobicContact CG2-CE1 3.61Å; T427-Y431 HydrophobicContact CG2-CE2 3.34Å; T427-Y431 HydrophobicContact CG2-CG 4.26Å; T427-Y431 WeakPolarHBondContact CG2-OH 3.29Å; T427-Y431 WeakPolarHBondContact O-CB 3.38Å; T427-Y431 WeakPolarHBondContact O-CD1 3.39Å; T427-Y431 VanDerWaalsContact O-CG 3.22Å; T427-Y431 PolarHBondContact O-N 3.36Å
428L90.1Very high89.6Confident0 Ų07.1 Ų7.10%04%0.038CC..Hα-helixtrans-64.6-32.4178.9-71.3169.9000112F266 S424 L425 S432 N590 L593 I594F266-L428 HydrophobicContact CD1-CD2 4Å; F266-L428 HydrophobicContact CD1-CG 4.32Å; F266-L428 HydrophobicContact CE1-CD2 3.7Å; F266-L428 HydrophobicContact CE1-CG 4.22Å; F266-L428 HydrophobicContact CZ-CD2 3.98Å; S424-L428 WeakPolarHBondContact O-CB 3.02Å; S424-L428 VanDerWaalsContact O-CG 3.25Å; S424-L428 WeakPolarHBondContact O-CG 3.04Å; S424-L428 PolarHBondContact O-N 3.09Å; L425-L428 PolarHBondContact O-N 3.42Å; L428-S432 WeakPolarHBondContact O-CB 3.48Å; L428-S432 PolarHBondContact O-N 2.8Å; L428-S432 PolarHBondContact O-OG 2.86Å; L428-N590 HydrophobicContact CD2-CB 4.22Å; L428-L593 HydrophobicContact CD1-CB 3.79Å; L428-L593 HydrophobicContact CD2-CD1 4.36Å; L428-I594 HydrophobicContact CB-CD1 3.68Å; L428-I594 HydrophobicContact CB-CG1 3.53Å; L428-I594 HydrophobicContact CD1-CG1 3.87Å; L428-I594 HydrophobicContact CG-CG1 4.36Å
429I88.6Confident89.8Confident36 Ų366.8 Ų6.819%0.1854%0.035CC..Hα-helixtrans-67.1-48.6171.6-69.8177.2000110.5L425 G426 T427 Y431 S432 I433 I594 F605L425-I429 HydrophobicContact CD2-CD1 3.47Å; L425-I429 VanDerWaalsContact CD2-CD1 3.47Å; L425-I429 HydrophobicContact CD2-CG1 4.34Å; L425-I429 HydrophobicContact CG-CD1 4.36Å; L425-I429 WeakPolarHBondContact O-CG1 3.5Å; L425-I429 PolarHBondContact O-N 2.86Å; L425-I429 VanDerWaalsContact O-N 3.13Å; G426-I429 PolarHBondContact O-N 2.85Å; T427-I429 VanDerWaalsContact C-N 3.27Å; T427-I429 PolarHBondContact O-N 3.47Å; I429-Y431 VanDerWaalsContact C-N 3.25Å; I429-Y431 PolarHBondContact O-N 3.43Å; I429-S432 WeakPolarHBondContact O-CB 3.44Å; I429-S432 PolarHBondContact O-N 3.27Å; I429-S432 VanDerWaalsContact O-N 3.11Å; I429-I433 HydrophobicContact CG2-CD1 4.16Å; I429-I433 WeakPolarHBondContact O-CG1 3.18Å; I429-I433 PolarHBondContact O-N 3.33Å; I429-I594 HydrophobicContact CG1-CD1 3.84Å; I429-F605 HydrophobicContact CD1-CD1 4.1Å; I429-F605 HydrophobicContact CD1-CE1 3.4Å; I429-F605 VanDerWaalsContact CD1-CE1 3.4Å; I429-F605 HydrophobicContact CD1-CZ 3.65Å
430A86.9Confident89.9Confident0 Ų07.2 Ų7.20%04%0.038CC..Hα-helixtrans-57.2-41.6177.200000111.5I130 G426 T427 I433 T434I130-A430 HydrophobicContact CD1-CB 4.44Å; I130-A430 HydrophobicContact CG1-CB 4.02Å; G426-A430 PolarHBondContact O-N 3.03Å; T427-A430 PolarHBondContact O-N 2.84Å; T427-A430 VanDerWaalsContact O-N 3.16Å; A430-I433 PolarHBondContact O-N 2.95Å; A430-T434 WeakPolarHBondContact O-CG2 3.21Å; A430-T434 PolarHBondContact O-N 2.82Å
431Y90.6Very high89.9Confident0 Ų07.5 Ų7.50%04%0.04CC..Hα-helixtrans-71.7-30.4178.4-66.1-1.1000112.9N93 Y97 F266 F272 T427 I429 T434 A435N93-Y431 HydrophobicContact CB-CD2 3.78Å; N93-Y431 HydrophobicContact CB-CE2 4.3Å; N93-Y431 HydrophobicContact CB-CG 4.31Å; N93-Y431 WeakPolarHBondContact OD1-CB 3.29Å; Y97-Y431 HydrophobicContact CD2-CD1 4.32Å; Y97-Y431 AromaticContact CE2-CD1 3.22Å; Y97-Y431 HydrophobicContact CE2-CD1 3.22Å; Y97-Y431 AromaticContact CE2-CE1 3.56Å; Y97-Y431 HydrophobicContact CE2-CE1 3.56Å; Y97-Y431 AromaticContact CE2-CG 3.99Å; Y97-Y431 HydrophobicContact CE2-CG 3.99Å; Y97-Y431 AromaticContact CZ-CD1 3.52Å; Y97-Y431 AromaticContact CZ-CE1 3.52Å; Y97-Y431 WeakPolarHBondContact OH-CD1 3.34Å; Y97-Y431 WeakPolarHBondContact OH-CE1 3.31Å; F266-Y431 HydrophobicContact CE1-CD2 4.07Å; F266-Y431 AromaticContact CE1-CE2 3.82Å; F266-Y431 HydrophobicContact CE1-CE2 3.82Å; F266-Y431 AromaticContact CZ-CD2 3.7Å; F266-Y431 HydrophobicContact CZ-CD2 3.7Å; F266-Y431 AromaticContact CZ-CE2 3.55Å; F266-Y431 HydrophobicContact CZ-CE2 3.55Å; F272-Y431 HydrophobicContact CD1-CE2 4.37Å; F272-Y431 HydrophobicContact CE1-CD2 4.22Å; F272-Y431 HydrophobicContact CE1-CE1 4.31Å; F272-Y431 AromaticContact CE1-CE2 3.31Å; F272-Y431 HydrophobicContact CE1-CE2 3.31Å; F272-Y431 AromaticContact CE1-CZ 3.36Å; F272-Y431 VanDerWaalsContact CE1-OH 3.26Å; F272-Y431 WeakPolarHBondContact CE1-OH 3.28Å; F272-Y431 HydrophobicContact CZ-CD2 4.29Å; F272-Y431 AromaticContact CZ-CE1 3.96Å; F272-Y431 HydrophobicContact CZ-CE1 3.96Å; F272-Y431 AromaticContact CZ-CE2 3.66Å; F272-Y431 HydrophobicContact CZ-CE2 3.66Å; F272-Y431 AromaticContact CZ-CZ 3.45Å; F272-Y431 VanDerWaalsContact CZ-CZ 3.45Å; T427-Y431 HydrophobicContact CG2-CD1 4.1Å; T427-Y431 HydrophobicContact CG2-CD2 3.88Å; T427-Y431 HydrophobicContact CG2-CE1 3.61Å; T427-Y431 HydrophobicContact CG2-CE2 3.34Å; T427-Y431 HydrophobicContact CG2-CG 4.26Å; T427-Y431 WeakPolarHBondContact CG2-OH 3.29Å; T427-Y431 WeakPolarHBondContact O-CB 3.38Å; T427-Y431 WeakPolarHBondContact O-CD1 3.39Å; T427-Y431 VanDerWaalsContact O-CG 3.22Å; T427-Y431 PolarHBondContact O-N 3.36Å; I429-Y431 VanDerWaalsContact C-N 3.25Å; I429-Y431 PolarHBondContact O-N 3.43Å; Y431-T434 WeakPolarHBondContact CA-OG1 3.24Å; Y431-T434 PolarHBondContact O-N 2.77Å; Y431-T434 PolarHBondContact O-OG1 2.99Å; Y431-A435 PolarHBondContact O-N 3.35Å; Y431-A435 VanDerWaalsContact O-N 3.08Å
432S92.7Very high90.1Very high10 Ų107 Ų77%0.074%0.037CC..Hα-helixtrans-65.6-40.5170.1-61.30000111.2L428 I429 T434 A435 I436 N590L428-S432 WeakPolarHBondContact O-CB 3.48Å; L428-S432 PolarHBondContact O-N 2.8Å; L428-S432 PolarHBondContact O-OG 2.86Å; I429-S432 WeakPolarHBondContact O-CB 3.44Å; I429-S432 PolarHBondContact O-N 3.27Å; I429-S432 VanDerWaalsContact O-N 3.11Å; S432-T434 VanDerWaalsContact C-N 3.34Å; S432-T434 PolarHBondContact O-N 2.88Å; S432-A435 PolarHBondContact O-N 3.07Å; S432-I436 VanDerWaalsContact O-CG1 3.3Å; S432-I436 WeakPolarHBondContact O-CG1 3.43Å; S432-I436 PolarHBondContact O-N 3.49Å; S432-N590 VanDerWaalsContact OG-CB 3.29Å; S432-N590 WeakPolarHBondContact OG-CB 3.12Å
433I91.7Very high90.3Very high24 Ų246.3 Ų6.312%0.1233%0.033CC..Hα-helixtrans-64.8-38.1175.3-63.6169000110.9T114 M118 T126 I429 A430 I436 A437T114-I433 HydrophobicContact CG2-CG2 3.88Å; M118-I433 HydrophobicContact SD-CG2 4.05Å; T126-I433 WeakPolarHBondContact OG1-CD1 3.49Å; I429-I433 HydrophobicContact CG2-CD1 4.16Å; I429-I433 WeakPolarHBondContact O-CG1 3.18Å; I429-I433 PolarHBondContact O-N 3.33Å; A430-I433 PolarHBondContact O-N 2.95Å; I433-I436 WeakPolarHBondContact O-CB 3.31Å; I433-I436 PolarHBondContact O-N 3.36Å; I433-A437 WeakPolarHBondContact O-CB 3.49Å; I433-A437 PolarHBondContact O-N 2.93Å
434T89.5Confident90.2Very high0 Ų010.3 Ų10.30%05%0.048CC..Hα-helixtrans-68-36.4176.161.80000113Y97 L100 S110 A430 Y431 S432 I436 A437 I438Y97-T434 HydrophobicContact CD2-CG2 4.05Å; Y97-T434 WeakPolarHBondContact CD2-OG1 3.5Å; Y97-T434 HydrophobicContact CE1-CG2 4.22Å; Y97-T434 HydrophobicContact CE2-CG2 3.41Å; Y97-T434 VanDerWaalsContact CE2-CG2 3.41Å; Y97-T434 WeakPolarHBondContact CE2-OG1 3.5Å; L100-T434 HydrophobicContact CD1-CG2 4.09Å; S110-T434 VanDerWaalsContact OG-CG2 3.26Å; S110-T434 WeakPolarHBondContact OG-CG2 3.17Å; A430-T434 WeakPolarHBondContact O-CG2 3.21Å; A430-T434 PolarHBondContact O-N 2.82Å; Y431-T434 WeakPolarHBondContact CA-OG1 3.24Å; Y431-T434 PolarHBondContact O-N 2.77Å; Y431-T434 PolarHBondContact O-OG1 2.99Å; S432-T434 VanDerWaalsContact C-N 3.34Å; S432-T434 PolarHBondContact O-N 2.88Å; T434-I436 VanDerWaalsContact C-N 3.34Å; T434-A437 PolarHBondContact O-N 3.43Å; T434-I438 WeakPolarHBondContact O-CG1 3.28Å; T434-I438 PolarHBondContact O-N 2.9Å
435A94Very high89.8Confident0 Ų013.6 Ų13.60%06%0.062CC..Hα-helixtrans-61.6-42.7171.600000111.7Y431 S432 I438 I439 P583 T586Y431-A435 PolarHBondContact O-N 3.35Å; Y431-A435 VanDerWaalsContact O-N 3.08Å; S432-A435 PolarHBondContact O-N 3.07Å; A435-I438 PolarHBondContact O-N 3.36Å; A435-I439 PolarHBondContact O-N 3.5Å; A435-P583 HydrophobicContact CB-CB 4.29Å; A435-T586 HydrophobicContact CB-CG2 4.24Å
436I94.4Very high89Confident22 Ų2215.4 Ų15.411%0.1137%0.071CC..Hα-helixtrans-60.3-45.6173.1-69.7166.5000110.7M118 S432 I433 T434 I438 I439 C440 M515 I519 L587M118-I436 HydrophobicContact CE-CG2 3.67Å; M118-I436 HydrophobicContact SD-CG2 4.03Å; S432-I436 VanDerWaalsContact O-CG1 3.3Å; S432-I436 WeakPolarHBondContact O-CG1 3.43Å; S432-I436 PolarHBondContact O-N 3.49Å; I433-I436 WeakPolarHBondContact O-CB 3.31Å; I433-I436 PolarHBondContact O-N 3.36Å; T434-I436 VanDerWaalsContact C-N 3.34Å; I436-I438 VanDerWaalsContact C-N 3.3Å; I436-I438 PolarHBondContact O-N 2.89Å; I436-I439 PolarHBondContact O-N 3.41Å; I436-I439 VanDerWaalsContact O-N 3.13Å; I436-C440 PolarHBondContact O-N 3.31Å; I436-C440 PolarHBondContact O-SG 3.07Å; I436-M515 HydrophobicContact CB-SD 4.31Å; I436-M515 HydrophobicContact CG1-SD 4.4Å; I436-M515 HydrophobicContact CG2-CE 3.69Å; I436-M515 HydrophobicContact CG2-SD 3.83Å; I436-I519 HydrophobicContact CD1-CD1 3.63Å; I436-I519 HydrophobicContact CD1-CG1 4.41Å; I436-I519 HydrophobicContact CG1-CD1 4.03Å; I436-L587 HydrophobicContact CD1-CD1 4.27Å; I436-L587 HydrophobicContact CG1-CD1 4.32Å
437A91.6Very high87.9Confident0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-61.8-36.2179.300000112.4L100 I117 M118 I433 T434 C440 I441L100-A437 HydrophobicContact CD1-CB 4.2Å; I117-A437 HydrophobicContact CD1-CB 3.87Å; I117-A437 HydrophobicContact CG2-CB 4.29Å; M118-A437 HydrophobicContact SD-CB 4.42Å; I433-A437 WeakPolarHBondContact O-CB 3.49Å; I433-A437 PolarHBondContact O-N 2.93Å; T434-A437 PolarHBondContact O-N 3.43Å; A437-C440 PolarHBondContact O-N 2.98Å; A437-I441 WeakPolarHBondContact O-CG2 3.39Å; A437-I441 PolarHBondContact O-N 2.89Å
438I93Very high86Confident0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-62.9-42.4173.3-74.2-70.3000111.9N96 E99 L100 T434 A435 I436 I441 R442 L576 V579 P583N96-I438 HydrophobicContact CB-CG1 4.25Å; N96-I438 WeakPolarHBondContact O-CD1 3.29Å; E99-I438 HydrophobicContact CB-CD1 3.75Å; E99-I438 HydrophobicContact CG-CD1 3.74Å; L100-I438 HydrophobicContact CD1-CG1 4.31Å; L100-I438 HydrophobicContact CD2-CD1 3.54Å; L100-I438 HydrophobicContact CD2-CG1 4.05Å; L100-I438 HydrophobicContact CG-CD1 3.61Å; L100-I438 HydrophobicContact CG-CG1 3.94Å; T434-I438 WeakPolarHBondContact O-CG1 3.28Å; T434-I438 PolarHBondContact O-N 2.9Å; A435-I438 PolarHBondContact O-N 3.36Å; I436-I438 VanDerWaalsContact C-N 3.3Å; I436-I438 PolarHBondContact O-N 2.89Å; I438-I441 HydrophobicContact CD1-CG2 4.49Å; I438-I441 WeakPolarHBondContact O-CG2 3.43Å; I438-R442 HydrophobicContact CG2-CG 4.48Å; I438-R442 VanDerWaalsContact O-CB 3.31Å; I438-R442 WeakPolarHBondContact O-CB 3.41Å; I438-R442 WeakPolarHBondContact O-CG 3.36Å; I438-R442 PolarHBondContact O-N 3.29Å; I438-R442 VanDerWaalsContact O-N 3.13Å; I438-L576 HydrophobicContact CG2-CD2 4.12Å; I438-V579 HydrophobicContact CG2-CG2 4.18Å; I438-P583 HydrophobicContact CB-CG 4.34Å; I438-P583 HydrophobicContact CG2-CB 4.44Å; I438-P583 HydrophobicContact CG2-CG 3.59Å
439I94.4Very high83.4Confident3 Ų324.7 Ų24.72%0.01513%0.128CC..Hα-helixtrans-64-46.6175.9-61.1169.2000109.3A435 I436 I441 R442 Y443 V511 M515 M560 P583A435-I439 PolarHBondContact O-N 3.5Å; I436-I439 PolarHBondContact O-N 3.41Å; I436-I439 VanDerWaalsContact O-N 3.13Å; I439-I441 PolarHBondContact O-N 3.44Å; I439-R442 PolarHBondContact O-N 2.93Å; I439-Y443 HydrophobicContact CG2-CD2 4Å; I439-Y443 HydrophobicContact CG2-CE2 4.48Å; I439-Y443 WeakPolarHBondContact O-CD2 3.49Å; I439-Y443 PolarHBondContact O-N 3.21Å; I439-V511 HydrophobicContact CG2-CG1 4.04Å; I439-M515 HydrophobicContact CB-SD 3.69Å; I439-M515 HydrophobicContact CD1-CG 4.06Å; I439-M515 HydrophobicContact CD1-SD 3.84Å; I439-M515 HydrophobicContact CG1-SD 4.36Å; I439-M515 HydrophobicContact CG2-CG 4.44Å; I439-M515 HydrophobicContact CG2-SD 3.69Å; I439-M560 HydrophobicContact CG2-SD 4.43Å; I439-P583 HydrophobicContact CD1-CB 3.95Å; I439-P583 HydrophobicContact CG1-CB 3.72Å; I439-P583 HydrophobicContact CG1-CG 4.26Å
440C92Very high81Confident11 Ų1126.5 Ų26.57%0.07414%0.142CC..Hα-helixtrans-56.6-49.4177.3-72.50000112.5I117 I436 A437 R442 Y443 R444I117-C440 HydrophobicContact CG2-CB 3.61Å; I436-C440 PolarHBondContact O-N 3.31Å; I436-C440 PolarHBondContact O-SG 3.07Å; A437-C440 PolarHBondContact O-N 2.98Å; C440-R442 VanDerWaalsContact C-N 3.26Å; C440-R442 PolarHBondContact O-N 3.45Å; C440-Y443 PolarHBondContact O-N 3.08Å; C440-R444 WeakPolarHBondContact O-CA 3.3Å; C440-R444 WeakPolarHBondContact O-CB 3.45Å; C440-R444 PolarHBondContact O-N 2.67Å
441I89.3Confident78.7Confident7 Ų732.7 Ų32.74%0.03617%0.171CC..Hα-helixtrans-70.3-23.1-177.7-161.9159.4000113.4L100 R103 I117 A437 I438 I439 Q446L100-I441 HydrophobicContact CD2-CG2 4.46Å; R103-I441 VanDerWaalsContact CD-CD1 3.47Å; I117-I441 HydrophobicContact CD1-CB 4.24Å; I117-I441 HydrophobicContact CD1-CD1 3.96Å; I117-I441 HydrophobicContact CG1-CD1 4.17Å; A437-I441 WeakPolarHBondContact O-CG2 3.39Å; A437-I441 PolarHBondContact O-N 2.89Å; I438-I441 HydrophobicContact CD1-CG2 4.49Å; I438-I441 WeakPolarHBondContact O-CG2 3.43Å; I439-I441 PolarHBondContact O-N 3.44Å; I441-Q446 HydrophobicContact CD1-CG 4.39Å; I441-Q446 HydrophobicContact CG1-CG 3.91Å
442R91.8Very high76Confident10 Ų1039.4 Ų39.44%0.03820%0.204CC..Hα-helixtrans-85.4-24.6178.2-73.8-73.3-170144.715113.5E99 I438 I439 C440 Q565 F566 Q575 L576 V579E99-R442 IonicContact OE1-CZ 3.18Å; E99-R442 IonicContact OE1-NE 2.74Å; E99-R442 PolarHBondContact OE1-NE 2.98Å; E99-R442 IonicContact OE1-NH2 2.99Å; E99-R442 PolarHBondContact OE1-NH2 2.9Å; E99-R442 IonicContact OE2-CZ 3.57Å; E99-R442 IonicContact OE2-NE 3.49Å; E99-R442 PolarHBondContact OE2-NE 3.32Å; E99-R442 IonicContact OE2-NH2 2.76Å; E99-R442 PolarHBondContact OE2-NH2 2.75Å; I438-R442 HydrophobicContact CG2-CG 4.48Å; I438-R442 VanDerWaalsContact O-CB 3.31Å; I438-R442 WeakPolarHBondContact O-CB 3.41Å; I438-R442 WeakPolarHBondContact O-CG 3.36Å; I438-R442 PolarHBondContact O-N 3.29Å; I438-R442 VanDerWaalsContact O-N 3.13Å; I439-R442 PolarHBondContact O-N 2.93Å; C440-R442 VanDerWaalsContact C-N 3.26Å; C440-R442 PolarHBondContact O-N 3.45Å; R442-Q565 HydrophobicContact CB-CG 4.43Å; R442-Q565 CarbonylContact O-C 3.56Å; R442-Q565 WeakPolarHBondContact O-CA 3.22Å; R442-Q565 WeakPolarHBondContact O-CB 3.46Å; R442-F566 PolarHBondContact O-N 3.32Å; R442-Q575 VanDerWaalsContact NH1-CD 3.31Å; R442-Q575 VanDerWaalsContact NH1-NE2 3.13Å; R442-Q575 VanDerWaalsContact NH2-CA 3.32Å; R442-L576 PolarHBondContact NH2-O 3.18Å; R442-V579 HydrophobicContact CB-CG1 4.01Å; R442-V579 HydrophobicContact CG-CG1 4Å; R442-V579 HydrophobicContact CG-CG2 4.48Å
443Y92.2Very high73.7Confident1 Ų142.5 Ų42.50%0.00422%0.219CC..Hα-helixtrans-117.9-14.9-175.9-70.4-83.6000114.5I439 C440 G484 G508 V511 M560 F563 Q565 F566 V579 P580I439-Y443 HydrophobicContact CG2-CD2 4Å; I439-Y443 HydrophobicContact CG2-CE2 4.48Å; I439-Y443 WeakPolarHBondContact O-CD2 3.49Å; I439-Y443 PolarHBondContact O-N 3.21Å; C440-Y443 PolarHBondContact O-N 3.08Å; Y443-G484 VanDerWaalsContact O-CA 3.31Å; Y443-G484 WeakPolarHBondContact O-CA 3.3Å; Y443-G508 WeakPolarHBondContact O-CA 3.32Å; Y443-V511 HydrophobicContact CD1-CB 4.41Å; Y443-V511 HydrophobicContact CD1-CG1 4.11Å; Y443-V511 HydrophobicContact CD1-CG2 3.81Å; Y443-V511 HydrophobicContact CD2-CG1 3.83Å; Y443-V511 HydrophobicContact CE1-CG2 4.41Å; Y443-V511 HydrophobicContact CE2-CG1 4.43Å; Y443-V511 HydrophobicContact CG-CB 4.19Å; Y443-V511 HydrophobicContact CG-CG1 3.64Å; Y443-V511 HydrophobicContact CG-CG2 4.1Å; Y443-M560 WeakPolarHBondContact CE1-O 3.13Å; Y443-M560 PolarHBondContact OH-O 3.42Å; Y443-M560 VanDerWaalsContact OH-O 3.07Å; Y443-F563 HydrophobicContact CD1-CB 3.85Å; Y443-F563 HydrophobicContact CE1-CB 3.73Å; Y443-Q565 HydrophobicContact CD1-CG 4.18Å; Y443-Q565 HydrophobicContact CE1-CG 3.63Å; Y443-Q565 HydrophobicContact CE2-CG 4Å; Y443-Q565 PolarHBondContact OH-NE2 2.87Å; Y443-Q565 VanDerWaalsContact OH-NE2 3.14Å; Y443-F566 VanDerWaalsContact O-CE2 3.25Å; Y443-F566 WeakPolarHBondContact O-CE2 3.31Å; Y443-V579 HydrophobicContact CE2-CG1 3.91Å; Y443-P580 HydrophobicContact CE2-CB 4.19Å; Y443-P580 WeakPolarHBondContact OH-CD 3.22Å
444R86.9Confident71.4Confident91 Ų9143.7 Ų43.734%0.34323%0.228SC..SBendtrans-118.1140.7-178.2-164.1176.6-177.1-166.6-1.2112.3C440 Q446 P507 D509C440-R444 WeakPolarHBondContact O-CA 3.3Å; C440-R444 WeakPolarHBondContact O-CB 3.45Å; C440-R444 PolarHBondContact O-N 2.67Å; R444-Q446 PolarHBondContact O-NE2 3.45Å; R444-P507 WeakPolarHBondContact CA-O 3.38Å; R444-D509 IonicContact NE-OD1 2.69Å
445K78.8Confident69.1Low69 Ų6948.1 Ų48.130%0.325%0.248SC..  trans-66.5133.5174.6-164.4-175-176-161.30110.2S447 L453 F566K445-S447 WeakPolarHBondContact CE-OG 3.46Å; K445-L453 HydrophobicContact CD-CD1 3.66Å; K445-F566 HydrophobicContact CB-CE1 4.13Å; K445-F566 HydrophobicContact CB-CZ 3.9Å; K445-F566 HydrophobicContact CG-CE1 4.3Å
446Q70.9Confident66.9Low39 Ų3952 Ų5218%0.18227%0.272CS..  trans-90.2-13.9-173-62.1-60.8-66.400114.9F116 I441 R444F116-Q446 HydrophobicContact CE1-CB 4.37Å; F116-Q446 HydrophobicContact CE1-CG 4.47Å; F116-Q446 HydrophobicContact CZ-CB 4.46Å; I441-Q446 HydrophobicContact CD1-CG 4.39Å; I441-Q446 HydrophobicContact CG1-CG 3.91Å; R444-Q446 PolarHBondContact O-NE2 3.45Å
447S59.1Low64.8Low54 Ų5452.5 Ų52.538%0.37828%0.275SS..  trans-89.2125.7-176.462.80000112.3K445 S449K445-S447 WeakPolarHBondContact CE-OG 3.46Å; S447-S449 PolarHBondContact O-N 2.93Å
448D47.3Very low62.7Low100 Ų10057.2 Ų57.254%0.53530%0.297SS..SBendtrans-75.938.7170.4-66.3-26.6000113.2K26 P450K26-D448 IonicContact NZ-OD1 3.86Å; K26-D448 PolarHBondContact NZ-OD1 3.28Å; K26-D448 IonicContact NZ-OD2 3.93Å; D448-P450 WeakPolarHBondContact O-CD 3.19Å
449S35.7Very low60.6Low41 Ų4163 Ų6329%0.28733%0.327SS..  trans-97.974149.2-52.60000108.3S447 Q451S447-S449 PolarHBondContact O-N 2.93Å; S449-Q451 PolarHBondContact O-N 3.03Å
450P38.3Very low58.6Low74 Ų7466.5 Ų66.548%0.48134%0.343SS..Hα-helixtrans-48.8-42.6153.8-18.128.1000108.2D448 M452 L453 T454D448-P450 WeakPolarHBondContact O-CD 3.19Å; P450-M452 PolarHBondContact O-N 3.34Å; P450-L453 PolarHBondContact O-N 3.47Å; P450-T454 VanDerWaalsContact CA-OG1 3.3Å; P450-T454 WeakPolarHBondContact CA-OG1 3.4Å; P450-T454 WeakPolarHBondContact CB-OG1 3.32Å; P450-T454 VanDerWaalsContact O-CA 3.3Å; P450-T454 WeakPolarHBondContact O-CA 3.22Å; P450-T454 WeakPolarHBondContact O-CB 3.47Å; P450-T454 PolarHBondContact O-N 3.44Å; P450-T454 PolarHBondContact O-OG1 3.19Å
451Q38.3Very low56.6Low130 Ų13068.1 Ų68.161%0.60736%0.355SS*.Hα-helixtrans-50.4-51.4-171.6-73.6165-15.900114.2S449 L453 E455S449-Q451 PolarHBondContact O-N 3.03Å; Q451-L453 PolarHBondContact O-N 2.84Å; Q451-E455 HydrophobicContact CB-CG 4.34Å; Q451-E455 VanDerWaalsContact O-CA 3.3Å; Q451-E455 WeakPolarHBondContact O-CA 3.28Å; Q451-E455 WeakPolarHBondContact O-CB 3.2Å; Q451-E455 WeakPolarHBondContact O-CG 3.28Å; Q451-E455 PolarHBondContact O-N 3.29Å
452M34.3Very low54.9Low141 Ų14172.3 Ų72.370%0.69538%0.377SS*.Hα-helixtrans-67.5-39.8-176.6-86.9-73.6-160.500115.4P450 T456P450-M452 PolarHBondContact O-N 3.34Å; M452-T456 WeakPolarHBondContact O-CB 3.49Å; M452-T456 PolarHBondContact O-N 2.88Å; M452-T456 PolarHBondContact O-OG1 3.37Å
453L43.2Very low53Low76 Ų7675.2 Ų75.240%0.39840%0.399SS..Hα-helixtrans-81.9-39.2176.2-87.7167.6000111.6K445 P450 Q451 D457K445-L453 HydrophobicContact CD-CD1 3.66Å; P450-L453 PolarHBondContact O-N 3.47Å; Q451-L453 PolarHBondContact O-N 2.84Å; L453-D457 WeakPolarHBondContact O-CA 3.3Å; L453-D457 WeakPolarHBondContact O-CB 3.48Å; L453-D457 VanDerWaalsContact O-CG 3.23Å; L453-D457 PolarHBondContact O-N 3.42Å; L453-D457 VanDerWaalsContact O-OD2 3.1Å
454T44.6Very low51Low49 Ų4976.2 Ų76.230%0.30141%0.405SS..Hα-helixtrans-78.2-31.8-176.1-37.30000110.8P450 D457 Q458P450-T454 VanDerWaalsContact CA-OG1 3.3Å; P450-T454 WeakPolarHBondContact CA-OG1 3.4Å; P450-T454 WeakPolarHBondContact CB-OG1 3.32Å; P450-T454 VanDerWaalsContact O-CA 3.3Å; P450-T454 WeakPolarHBondContact O-CA 3.22Å; P450-T454 WeakPolarHBondContact O-CB 3.47Å; P450-T454 PolarHBondContact O-N 3.44Å; P450-T454 PolarHBondContact O-OG1 3.19Å; T454-D457 CarbonylContact O-C 3.6Å; T454-Q458 HydrophobicContact CG2-CG 3.99Å; T454-Q458 VanDerWaalsContact O-CA 3.23Å; T454-Q458 WeakPolarHBondContact O-CA 3.27Å; T454-Q458 WeakPolarHBondContact O-CB 3.5Å; T454-Q458 WeakPolarHBondContact O-CG 3.39Å; T454-Q458 PolarHBondContact O-N 2.94Å
455E41.5Very low49.4Very low92 Ų9279.3 Ų79.343%0.4342%0.423SS..Hα-helixtrans-70.7-44.7169-71.5170.2166.800109.6Q451 D457 Q458 I459Q451-E455 HydrophobicContact CB-CG 4.34Å; Q451-E455 VanDerWaalsContact O-CA 3.3Å; Q451-E455 WeakPolarHBondContact O-CA 3.28Å; Q451-E455 WeakPolarHBondContact O-CB 3.2Å; Q451-E455 WeakPolarHBondContact O-CG 3.28Å; Q451-E455 PolarHBondContact O-N 3.29Å; E455-D457 VanDerWaalsContact C-N 3.31Å; E455-D457 PolarHBondContact O-N 3.36Å; E455-Q458 PolarHBondContact O-N 3.3Å; E455-I459 HydrophobicContact CB-CD1 4.35Å; E455-I459 WeakPolarHBondContact O-CB 3.41Å; E455-I459 VanDerWaalsContact O-CD1 3.29Å; E455-I459 WeakPolarHBondContact O-CD1 3.39Å; E455-I459 WeakPolarHBondContact O-CG1 3.38Å; E455-I459 PolarHBondContact O-N 3.42Å
456T47Very low48.2Very low82 Ų8285.3 Ų85.350%0.50345%0.449SS..Hα-helixtrans-62.8-41.5174.8-42.30000110.9M452 E460M452-T456 WeakPolarHBondContact O-CB 3.49Å; M452-T456 PolarHBondContact O-N 2.88Å; M452-T456 PolarHBondContact O-OG1 3.37Å; T456-E460 WeakPolarHBondContact O-CB 3.46Å; T456-E460 WeakPolarHBondContact O-CG 3.33Å; T456-E460 PolarHBondContact O-N 2.93Å
457D50.2Low47Very low33 Ų3386.9 Ų86.918%0.17646%0.459CS..Hα-helixtrans-73.4-27.7176.2-82.5-58.2000113.2L453 T454 E455 S461 H475 R479L453-D457 WeakPolarHBondContact O-CA 3.3Å; L453-D457 WeakPolarHBondContact O-CB 3.48Å; L453-D457 VanDerWaalsContact O-CG 3.23Å; L453-D457 PolarHBondContact O-N 3.42Å; L453-D457 VanDerWaalsContact O-OD2 3.1Å; T454-D457 CarbonylContact O-C 3.6Å; E455-D457 VanDerWaalsContact C-N 3.31Å; E455-D457 PolarHBondContact O-N 3.36Å; D457-S461 WeakPolarHBondContact O-CA 3.45Å; D457-S461 WeakPolarHBondContact O-CB 3.23Å; D457-S461 PolarHBondContact O-N 3.01Å; D457-S461 PolarHBondContact O-OG 3.4Å; D457-H475 IonicContact OD1-CE1 3.39Å; D457-H475 PolarHBondContact OD1-CE1 3.41Å; D457-H475 IonicContact OD1-NE2 3.73Å; D457-R479 IonicContact OD1-CZ 3.7Å; D457-R479 IonicContact OD1-NE 3.72Å; D457-R479 IonicContact OD1-NH2 2.83Å; D457-R479 PolarHBondContact OD1-NH2 3.07Å; D457-R479 IonicContact OD2-NH2 3.36Å; D457-R479 PolarHBondContact OD2-NH2 3.36Å
458Q48.9Very low46.8Very low98 Ų9892.1 Ų92.146%0.45848%0.475SS..Hα-helixtrans-82.7-42.2177.9-84.4175.2-21.500110.2T454 E455 E460 S461 D462T454-Q458 HydrophobicContact CG2-CG 3.99Å; T454-Q458 VanDerWaalsContact O-CA 3.23Å; T454-Q458 WeakPolarHBondContact O-CA 3.27Å; T454-Q458 WeakPolarHBondContact O-CB 3.5Å; T454-Q458 WeakPolarHBondContact O-CG 3.39Å; T454-Q458 PolarHBondContact O-N 2.94Å; E455-Q458 PolarHBondContact O-N 3.3Å; Q458-E460 PolarHBondContact O-N 2.94Å; Q458-S461 VanDerWaalsContact CA-OG 3.31Å; Q458-S461 WeakPolarHBondContact CA-OG 3.38Å; Q458-S461 PolarHBondContact O-N 2.93Å; Q458-S461 VanDerWaalsContact O-N 3.12Å; Q458-S461 PolarHBondContact O-OG 3.46Å; Q458-D462 WeakPolarHBondContact O-CA 3.34Å; Q458-D462 WeakPolarHBondContact O-CB 3.48Å; Q458-D462 PolarHBondContact O-N 3.32Å
459I49.1Very low47.5Very low123 Ų12392 Ų9263%0.63148%0.479SS*.Hα-helixtrans-58.4-42.9169.2-65.8163.1000108.6E455 S463E455-I459 HydrophobicContact CB-CD1 4.35Å; E455-I459 WeakPolarHBondContact O-CB 3.41Å; E455-I459 VanDerWaalsContact O-CD1 3.29Å; E455-I459 WeakPolarHBondContact O-CD1 3.39Å; E455-I459 WeakPolarHBondContact O-CG1 3.38Å; E455-I459 PolarHBondContact O-N 3.42Å; I459-S463 WeakPolarHBondContact O-CB 3.49Å; I459-S463 PolarHBondContact O-N 3.32Å; I459-S463 PolarHBondContact O-OG 3.01Å; I459-S463 VanDerWaalsContact O-OG 3.14Å
460E52Low48.8Very low75 Ų7596.1 Ų96.135%0.3550%0.497SS..Hα-helixtrans-64.6-49.3169.4-78.9-171.4159.600111.8T456 Q458 S463 I464 H475T456-E460 WeakPolarHBondContact O-CB 3.46Å; T456-E460 WeakPolarHBondContact O-CG 3.33Å; T456-E460 PolarHBondContact O-N 2.93Å; Q458-E460 PolarHBondContact O-N 2.94Å; E460-S463 PolarHBondContact O-N 3.49Å; E460-S463 PolarHBondContact O-OG 2.82Å; E460-I464 HydrophobicContact CB-CD1 4.34Å; E460-I464 WeakPolarHBondContact O-CB 3.4Å; E460-I464 WeakPolarHBondContact O-CD1 3.45Å; E460-I464 WeakPolarHBondContact O-CG1 3.48Å; E460-I464 PolarHBondContact O-N 3.4Å; E460-H475 IonicContact OE2-CE1 3.5Å; E460-H475 PolarHBondContact OE2-CE1 3.22Å; E460-H475 IonicContact OE2-ND1 3.68Å
461S50Low50Low46 Ų4697.6 Ų97.632%0.32250%0.495SS..Hα-helixtrans-68.6-38.8-174.471.70000114.3D457 Q458 S463 I464 E465D457-S461 WeakPolarHBondContact O-CA 3.45Å; D457-S461 WeakPolarHBondContact O-CB 3.23Å; D457-S461 PolarHBondContact O-N 3.01Å; D457-S461 PolarHBondContact O-OG 3.4Å; Q458-S461 VanDerWaalsContact CA-OG 3.31Å; Q458-S461 WeakPolarHBondContact CA-OG 3.38Å; Q458-S461 PolarHBondContact O-N 2.93Å; Q458-S461 VanDerWaalsContact O-N 3.12Å; Q458-S461 PolarHBondContact O-OG 3.46Å; S461-S463 VanDerWaalsContact C-N 3.33Å; S461-I464 CarbonylContact O-C 3.59Å; S461-I464 WeakPolarHBondContact O-CA 3.35Å; S461-I464 WeakPolarHBondContact O-CB 3.24Å; S461-I464 PolarHBondContact O-N 3.02Å; S461-I464 VanDerWaalsContact O-N 3.1Å; S461-E465 WeakPolarHBondContact O-CB 3.11Å; S461-E465 PolarHBondContact O-N 3.35Å
462D52.1Low51.3Low94 Ų9494.2 Ų94.250%0.50348%0.48SS..Hα-helixtrans-69.8-35176.9-67.7-0.9000110.1Q458 I464Q458-D462 WeakPolarHBondContact O-CA 3.34Å; Q458-D462 WeakPolarHBondContact O-CB 3.48Å; Q458-D462 PolarHBondContact O-N 3.32Å; D462-I464 VanDerWaalsContact C-N 3.29Å
463S53.1Low53Low72 Ų7290.5 Ų90.550%0.50347%0.465SS..Hα-helixtrans-68.1-30.3169.378.50000112.3I459 E460 S461I459-S463 WeakPolarHBondContact O-CB 3.49Å; I459-S463 PolarHBondContact O-N 3.32Å; I459-S463 PolarHBondContact O-OG 3.01Å; I459-S463 VanDerWaalsContact O-OG 3.14Å; E460-S463 PolarHBondContact O-N 3.49Å; E460-S463 PolarHBondContact O-OG 2.82Å; S461-S463 VanDerWaalsContact C-N 3.33Å
464I50.5Low54.6Low22 Ų2292.3 Ų92.311%0.11347%0.471CS..Hα-helixtrans-81.6-31.5178.1-67.8159.4000111.9E460 S461 D462 K466 D467 K471 Q472 H475E460-I464 HydrophobicContact CB-CD1 4.34Å; E460-I464 WeakPolarHBondContact O-CB 3.4Å; E460-I464 WeakPolarHBondContact O-CD1 3.45Å; E460-I464 WeakPolarHBondContact O-CG1 3.48Å; E460-I464 PolarHBondContact O-N 3.4Å; S461-I464 CarbonylContact O-C 3.59Å; S461-I464 WeakPolarHBondContact O-CA 3.35Å; S461-I464 WeakPolarHBondContact O-CB 3.24Å; S461-I464 PolarHBondContact O-N 3.02Å; S461-I464 VanDerWaalsContact O-N 3.1Å; D462-I464 VanDerWaalsContact C-N 3.29Å; I464-K466 PolarHBondContact O-N 3.4Å; I464-D467 CarbonylContact O-C 3.58Å; I464-D467 PolarHBondContact O-N 3.37Å; I464-K471 HydrophobicContact CG2-CB 4.28Å; I464-Q472 HydrophobicContact CG2-CB 4.32Å; I464-Q472 HydrophobicContact CG2-CG 3.45Å; I464-Q472 VanDerWaalsContact CG2-CG 3.45Å; I464-H475 HydrophobicContact CD1-CB 3.93Å
465E52.2Low56.3Low156 Ų15690.8 Ų90.873%0.72946%0.461SS*.Hα-helixtrans-64.9-24-178.2-162.7169.2-151.600111.7S461S461-E465 WeakPolarHBondContact O-CB 3.11Å; S461-E465 PolarHBondContact O-N 3.35Å
466K53.2Low58.1Low194 Ų19488.5 Ų88.584%0.84345%0.448SS*.THydrogen-bonded Turntrans-80.9-12171.2-70.4-174.9-179.8175.90114.7I464I464-K466 PolarHBondContact O-N 3.4Å
467D46.1Very low59.6Low73 Ų7391.5 Ų91.539%0.3945%0.451SS..SBendtrans-124.9142.6-172.6-93.9-32.2000114.6I464 K471I464-D467 CarbonylContact O-C 3.58Å; I464-D467 PolarHBondContact O-N 3.37Å; D467-K471 HydrophobicContact CB-CD 3.84Å; D467-K471 IonicContact OD2-NZ 2.68Å; D467-K471 PolarHBondContact OD2-NZ 3.11Å
468K55.1Low61.3Low164 Ų16496.1 Ų96.171%0.71347%0.469SS*.  trans-30.6151.3-174.6-68.5177.3-179.21770117.1I470 K471K468-I470 PolarHBondContact O-N 2.94Å; K468-K471 PolarHBondContact O-N 3.35Å
469P61.9Low63Low96 Ų9692.4 Ų92.462%0.62345%0.451SS*.Hα-helixtrans-52.8-20-174.918.6-33.2000116.4V473P469-V473 PolarHBondContact O-N 2.81Å
470I62.5Low64.8Low129 Ų12987.9 Ų87.966%0.66243%0.428SS*.Hα-helixtrans-64.2-42.8177.6-59.5173.1000111.5K468 Q472 V473 E474K468-I470 PolarHBondContact O-N 2.94Å; I470-Q472 VanDerWaalsContact C-N 3.33Å; I470-Q472 PolarHBondContact O-N 2.96Å; I470-V473 PolarHBondContact O-N 3.39Å; I470-E474 PolarHBondContact O-N 3.32Å
471K64Low66.5Low104 Ų10488.1 Ų88.145%0.45243%0.431SS..Hα-helixtrans-67.1-34.3-178.8-70.9-167.1-175.4175.10112.3I464 D467 K468 E474 H475I464-K471 HydrophobicContact CG2-CB 4.28Å; D467-K471 HydrophobicContact CB-CD 3.84Å; D467-K471 IonicContact OD2-NZ 2.68Å; D467-K471 PolarHBondContact OD2-NZ 3.11Å; K468-K471 PolarHBondContact O-N 3.35Å; K471-E474 PolarHBondContact O-N 3.19Å; K471-H475 PolarHBondContact O-N 2.64Å
472Q66.6Low68.2Low60 Ų6091.2 Ų91.228%0.2844%0.439SS..Hα-helixtrans-61.1-46.7175.6-71.6-173.1-0.700111.9I464 I470 E474 H475 Y476I464-Q472 HydrophobicContact CG2-CB 4.32Å; I464-Q472 HydrophobicContact CG2-CG 3.45Å; I464-Q472 VanDerWaalsContact CG2-CG 3.45Å; I470-Q472 VanDerWaalsContact C-N 3.33Å; I470-Q472 PolarHBondContact O-N 2.96Å; Q472-E474 PolarHBondContact O-N 3.01Å; Q472-H475 WeakPolarHBondContact O-CB 3.25Å; Q472-H475 PolarHBondContact O-N 3.07Å; Q472-Y476 HydrophobicContact CB-CE2 4.27Å; Q472-Y476 WeakPolarHBondContact O-CD2 3.45Å; Q472-Y476 WeakPolarHBondContact O-CE2 3.48Å; Q472-Y476 PolarHBondContact O-N 3.47Å
473V69.9Low69.8Low63 Ų6389.3 Ų89.338%0.38243%0.432SS..Hα-helixtrans-61.7-37.9179.9177.60000110.8P469 I470 Y476 R477P469-V473 PolarHBondContact O-N 2.81Å; I470-V473 PolarHBondContact O-N 3.39Å; V473-Y476 PolarHBondContact O-N 3.36Å; V473-R477 WeakPolarHBondContact O-CB 3.36Å; V473-R477 PolarHBondContact O-N 3.37Å
474E77.2Confident71.4Confident114 Ų11485.9 Ų85.953%0.53341%0.408SS..Hα-helixtrans-67.6-38.1178-164.2156.4-16100112.6I470 K471 Q472 R477 K478I470-E474 PolarHBondContact O-N 3.32Å; K471-E474 PolarHBondContact O-N 3.19Å; Q472-E474 PolarHBondContact O-N 3.01Å; E474-R477 WeakPolarHBondContact O-CB 3.48Å; E474-R477 PolarHBondContact O-N 3.5Å; E474-K478 WeakPolarHBondContact O-CG 3.43Å; E474-K478 PolarHBondContact O-N 3.1Å
475H79.3Confident73.3Confident17 Ų1785.3 Ų85.38%0.07941%0.405CS..Hα-helixtrans-56.6-51.8172.4-174.554.9000112.7D457 E460 I464 K471 Q472 R477 K478 R479D457-H475 IonicContact OD1-CE1 3.39Å; D457-H475 PolarHBondContact OD1-CE1 3.41Å; D457-H475 IonicContact OD1-NE2 3.73Å; E460-H475 IonicContact OE2-CE1 3.5Å; E460-H475 PolarHBondContact OE2-CE1 3.22Å; E460-H475 IonicContact OE2-ND1 3.68Å; I464-H475 HydrophobicContact CD1-CB 3.93Å; K471-H475 PolarHBondContact O-N 2.64Å; Q472-H475 WeakPolarHBondContact O-CB 3.25Å; Q472-H475 PolarHBondContact O-N 3.07Å; H475-R477 PolarHBondContact O-N 3.03Å; H475-K478 WeakPolarHBondContact O-CB 3.44Å; H475-K478 PolarHBondContact O-N 2.98Å; H475-K478 VanDerWaalsContact O-N 3.14Å; H475-R479 PolarHBondContact NE2-NE 3.46Å; H475-R479 PolarHBondContact NE2-NH2 2.63Å; H475-R479 PolarHBondContact O-N 3.37Å
476Y79.2Confident75.1Confident43 Ų4377.9 Ų77.917%0.16937%0.37CS..Hα-helixtrans-65.9-28.9178.8-60.2-63.3000112.5Q472 V473 R479 K500 N503Q472-Y476 HydrophobicContact CB-CE2 4.27Å; Q472-Y476 WeakPolarHBondContact O-CD2 3.45Å; Q472-Y476 WeakPolarHBondContact O-CE2 3.48Å; Q472-Y476 PolarHBondContact O-N 3.47Å; V473-Y476 PolarHBondContact O-N 3.36Å; Y476-R479 PolarHBondContact O-N 2.73Å; Y476-K500 HydrophobicContact CD2-CB 4.31Å; Y476-K500 HydrophobicContact CD2-CG 4.06Å; Y476-K500 HydrophobicContact CE2-CB 4.4Å; Y476-K500 HydrophobicContact CE2-CD 3.93Å; Y476-K500 HydrophobicContact CE2-CG 3.65Å; Y476-N503 HydrophobicContact CD1-CB 4.22Å; Y476-N503 PolarHBondContact O-ND2 3.22Å
477R79.4Confident77Confident146 Ų14671.7 Ų71.755%0.55134%0.343SS*.Hα-helixtrans-70.8-36.7174.2-168.8177.6-87.2-155.1-4111.7V473 E474 H475 R479 I480V473-R477 WeakPolarHBondContact O-CB 3.36Å; V473-R477 PolarHBondContact O-N 3.37Å; E474-R477 WeakPolarHBondContact O-CB 3.48Å; E474-R477 PolarHBondContact O-N 3.5Å; H475-R477 PolarHBondContact O-N 3.03Å; R477-R479 PolarHBondContact O-N 3.35Å; R477-I480 HydrophobicContact CB-CD1 4.27Å; R477-I480 HydrophobicContact CG-CD1 3.71Å; R477-I480 VanDerWaalsContact O-CB 3.3Å; R477-I480 WeakPolarHBondContact O-CB 3.31Å; R477-I480 WeakPolarHBondContact O-CD1 3.45Å; R477-I480 VanDerWaalsContact O-CG1 3.23Å; R477-I480 WeakPolarHBondContact O-CG1 3.41Å; R477-I480 PolarHBondContact O-N 3.43Å
478K84.7Confident78.9Confident129 Ų12970.4 Ų70.456%0.56134%0.34SS*.Hα-helixtrans-64.6-22.6173.6-72.9179.2-177.8-179.80113.6E474 H475 I480 K482E474-K478 WeakPolarHBondContact O-CG 3.43Å; E474-K478 PolarHBondContact O-N 3.1Å; H475-K478 WeakPolarHBondContact O-CB 3.44Å; H475-K478 PolarHBondContact O-N 2.98Å; H475-K478 VanDerWaalsContact O-N 3.14Å; K478-I480 VanDerWaalsContact C-N 3.34Å; K478-K482 WeakPolarHBondContact O-CE 3.38Å
479R86Confident80.4Confident21 Ų2166.8 Ų66.88%0.07933%0.333CS..THydrogen-bonded Turntrans-79.1-14.1176.3-67.1179.3174.9-160.2-7.6113.7D457 H475 Y476 R477 N481 K482 F485 N503 G505D457-R479 IonicContact OD1-CZ 3.7Å; D457-R479 IonicContact OD1-NE 3.72Å; D457-R479 IonicContact OD1-NH2 2.83Å; D457-R479 PolarHBondContact OD1-NH2 3.07Å; D457-R479 IonicContact OD2-NH2 3.36Å; D457-R479 PolarHBondContact OD2-NH2 3.36Å; H475-R479 PolarHBondContact NE2-NE 3.46Å; H475-R479 PolarHBondContact NE2-NH2 2.63Å; H475-R479 PolarHBondContact O-N 3.37Å; Y476-R479 PolarHBondContact O-N 2.73Å; R477-R479 PolarHBondContact O-N 3.35Å; R479-N481 PolarHBondContact O-N 3.19Å; R479-K482 WeakPolarHBondContact O-CB 3.2Å; R479-K482 PolarHBondContact O-N 3.47Å; R479-F485 HydrophobicContact CB-CD1 4.25Å; R479-F485 HydrophobicContact CB-CD2 4.25Å; R479-F485 HydrophobicContact CB-CE1 4.48Å; R479-F485 HydrophobicContact CB-CE2 4.45Å; R479-F485 HydrophobicContact CB-CG 4.11Å; R479-F485 HydrophobicContact CG-CZ 4.46Å; R479-F485 VanDerWaalsContact O-CB 3.28Å; R479-F485 WeakPolarHBondContact O-CB 3.48Å; R479-N503 HydrophobicContact CB-CB 4.48Å; R479-N503 PolarHBondContact NH1-O 2.93Å; R479-N503 VanDerWaalsContact NH1-O 3.16Å; R479-G505 PolarHBondContact NH1-O 3.34Å
480I86.2Confident81.5Confident28 Ų2867.7 Ų67.714%0.14433%0.325CS..THydrogen-bonded Turntrans-56.6140.2178.2-64168.8000110R477 K478 K482 A491 L499R477-I480 HydrophobicContact CB-CD1 4.27Å; R477-I480 HydrophobicContact CG-CD1 3.71Å; R477-I480 VanDerWaalsContact O-CB 3.3Å; R477-I480 WeakPolarHBondContact O-CB 3.31Å; R477-I480 WeakPolarHBondContact O-CD1 3.45Å; R477-I480 VanDerWaalsContact O-CG1 3.23Å; R477-I480 WeakPolarHBondContact O-CG1 3.41Å; R477-I480 PolarHBondContact O-N 3.43Å; K478-I480 VanDerWaalsContact C-N 3.34Å; I480-K482 PolarHBondContact O-N 3.33Å; I480-K482 VanDerWaalsContact O-N 3.09Å; I480-A491 HydrophobicContact CD1-CB 3.69Å; I480-A491 HydrophobicContact CG1-CB 3.98Å; I480-A491 HydrophobicContact CG2-CB 3.87Å; I480-L499 HydrophobicContact CD1-CD2 4.28Å
481N87Confident82.4Confident80 Ų8061.9 Ų61.943%0.42830%0.296SS..THydrogen-bonded Turntrans64.48178-156.824.1000115.1R479 V486 K564R479-N481 PolarHBondContact O-N 3.19Å; N481-V486 PolarHBondContact N-O 3.46Å; N481-K564 WeakPolarHBondContact O-CD 3.45Å; N481-K564 WeakPolarHBondContact O-CE 3.21Å; N481-K564 PolarHBondContact O-NZ 3.47Å; N481-K564 WeakPolarHBondContact OD1-CD 3.38Å; N481-K564 PolarHBondContact OD1-NZ 3.42Å
482K86.9Confident83.2Confident110 Ų11063.7 Ų63.748%0.47831%0.306SS..SBendtrans-81.7149.1163.6-63.9-172.8-177.9178.40110K478 R479 I480 F485K478-K482 WeakPolarHBondContact O-CE 3.38Å; R479-K482 WeakPolarHBondContact O-CB 3.2Å; R479-K482 PolarHBondContact O-N 3.47Å; I480-K482 PolarHBondContact O-N 3.33Å; I480-K482 VanDerWaalsContact O-N 3.09Å; K482-F485 HydrophobicContact CB-CD2 3.87Å; K482-F485 PolarHBondContact O-N 2.8Å; K482-F485 VanDerWaalsContact O-N 3.16Å
483P85.4Confident84.1Confident54 Ų5466.1 Ų66.135%0.35133%0.328SS..THydrogen-bonded Turntrans-57.9137.4177.3-23.634.5000112F485 F566P483-F485 VanDerWaalsContact C-N 3.32Å; P483-F566 HydrophobicContact CB-CD1 3.63Å; P483-F566 HydrophobicContact CB-CD2 3.91Å; P483-F566 HydrophobicContact CB-CE1 3.56Å; P483-F566 HydrophobicContact CB-CE2 3.82Å; P483-F566 HydrophobicContact CB-CG 3.81Å; P483-F566 HydrophobicContact CB-CZ 3.66Å; P483-F566 HydrophobicContact CG-CD1 4.45Å; P483-F566 HydrophobicContact CG-CE1 4.43Å
484G85.7Confident84.9Confident1 Ų164.4 Ų64.41%0.0132%0.316CS..THydrogen-bonded Turntrans85.1-4.7-174.400000115Y443 G508 K564Y443-G484 VanDerWaalsContact O-CA 3.31Å; Y443-G484 WeakPolarHBondContact O-CA 3.3Å; G484-G508 PolarHBondContact O-N 3.45Å; G484-G508 VanDerWaalsContact O-N 3.14Å; G484-K564 PolarHBondContact N-O 3.24Å
485F90.6Very high85.3Confident10 Ų1062.9 Ų62.94%0.04432%0.316CS..SBendtrans-121.3171.9-179-61.7-72.3000112.6R479 K482 P483 N503 P507 F563 K564R479-F485 HydrophobicContact CB-CD1 4.25Å; R479-F485 HydrophobicContact CB-CD2 4.25Å; R479-F485 HydrophobicContact CB-CE1 4.48Å; R479-F485 HydrophobicContact CB-CE2 4.45Å; R479-F485 HydrophobicContact CB-CG 4.11Å; R479-F485 HydrophobicContact CG-CZ 4.46Å; R479-F485 VanDerWaalsContact O-CB 3.28Å; R479-F485 WeakPolarHBondContact O-CB 3.48Å; K482-F485 HydrophobicContact CB-CD2 3.87Å; K482-F485 PolarHBondContact O-N 2.8Å; K482-F485 VanDerWaalsContact O-N 3.16Å; P483-F485 VanDerWaalsContact C-N 3.32Å; F485-N503 HydrophobicContact CD1-CB 4.09Å; F485-P507 HydrophobicContact CE2-CB 3.83Å; F485-P507 HydrophobicContact CE2-CG 3.77Å; F485-P507 HydrophobicContact CZ-CB 4.04Å; F485-P507 HydrophobicContact CZ-CG 3.86Å; F485-F563 WeakPolarHBondContact O-CA 3.43Å; F485-K564 PolarHBondContact O-N 3.29Å
486V91.3Very high85.4Confident0 Ų066.3 Ų66.30%034%0.335CS..BIsolated β-bridgetrans-60.8136-176.4176.50000112.1N481 A491 I494 L499 F502 N503 I562 F563N481-V486 PolarHBondContact N-O 3.46Å; V486-A491 HydrophobicContact CG1-CB 3.89Å; V486-I494 HydrophobicContact CG1-CD1 4.07Å; V486-L499 HydrophobicContact CB-CD1 4.36Å; V486-L499 HydrophobicContact CG1-CD1 4.47Å; V486-L499 HydrophobicContact CG2-CD1 4.4Å; V486-F502 HydrophobicContact CG2-CB 3.69Å; V486-F502 HydrophobicContact CG2-CD2 4.02Å; V486-F502 HydrophobicContact CG2-CG 4.36Å; V486-N503 WeakPolarHBondContact CG2-OD1 3.29Å; V486-N503 PolarHBondContact N-OD1 3.31Å; V486-I562 HydrophobicContact CG1-CG2 3.74Å; V486-I562 HydrophobicContact CG2-CG2 4.44Å; V486-F563 HydrophobicContact CG2-CD1 4.3Å; V486-F563 HydrophobicContact CG2-CE1 3.86Å; V486-F563 HydrophobicContact CG2-CZ 4.11Å
487K91.7Very high85.6Confident64 Ų6469.1 Ų69.128%0.27836%0.36SS..  trans-70145.3174.5-67.2165.2-179.8165.80111.5P489 Y490 A491 S561 I562 F563 K564K487-P489 HydrophobicContact CB-CG 4.4Å; K487-Y490 HydrophobicContact CB-CD2 4.07Å; K487-Y490 HydrophobicContact CD-CD2 4.4Å; K487-Y490 HydrophobicContact CD-CE2 4.23Å; K487-Y490 PolarHBondContact O-N 3.2Å; K487-A491 PolarHBondContact O-N 2.95Å; K487-A491 VanDerWaalsContact O-N 3.11Å; K487-S561 PolarHBondContact NZ-O 3.4Å; K487-I562 WeakPolarHBondContact CB-O 3.27Å; K487-I562 WeakPolarHBondContact CD-O 3.23Å; K487-I562 WeakPolarHBondContact CG-O 3.4Å; K487-I562 PolarHBondContact N-O 3.42Å; K487-F563 VanDerWaalsContact CE-O 3.24Å; K487-F563 WeakPolarHBondContact CE-O 3.26Å; K487-K564 HydrophobicContact CG-CB 3.99Å
488S86.2Confident85.9Confident45 Ų4565.5 Ų65.532%0.31535%0.351SS..Hα-helixtrans-48-50.5-179.8-156.70000115.8Y490 A491 H492S488-Y490 VanDerWaalsContact C-N 3.25Å; S488-Y490 PolarHBondContact O-N 3.18Å; S488-A491 PolarHBondContact O-N 3.26Å; S488-H492 PolarHBondContact O-CD2 2.95Å
489P87.2Confident86Confident89 Ų8959.7 Ų59.758%0.57833%0.326SS*.Hα-helixtrans-60.3-33.5-175.920.3-33.3000113.5K487K487-P489 HydrophobicContact CB-CG 4.4Å
490Y84.9Confident85.9Confident115 Ų11563.1 Ų63.145%0.45134%0.341SS..Hα-helixtrans-86.4-28.7-179.8-57.9-69.4000112.5K487 S488 H492 C493 I494 I562K487-Y490 HydrophobicContact CB-CD2 4.07Å; K487-Y490 HydrophobicContact CD-CD2 4.4Å; K487-Y490 HydrophobicContact CD-CE2 4.23Å; K487-Y490 PolarHBondContact O-N 3.2Å; S488-Y490 VanDerWaalsContact C-N 3.25Å; S488-Y490 PolarHBondContact O-N 3.18Å; Y490-H492 PolarHBondContact O-N 2.88Å; Y490-C493 PolarHBondContact O-N 2.63Å; Y490-C493 VanDerWaalsContact O-N 3.07Å; Y490-I494 WeakPolarHBondContact O-CD1 3.37Å; Y490-I494 VanDerWaalsContact O-CG1 3.28Å; Y490-I494 WeakPolarHBondContact O-CG1 3.49Å; Y490-I494 PolarHBondContact O-N 3.44Å; Y490-I562 HydrophobicContact CD1-CG1 4.36Å; Y490-I562 HydrophobicContact CD2-CB 4.34Å; Y490-I562 HydrophobicContact CD2-CG1 4.22Å; Y490-I562 HydrophobicContact CD2-CG2 4.08Å; Y490-I562 HydrophobicContact CG-CB 4.5Å; Y490-I562 HydrophobicContact CG-CG1 4.09Å; Y490-I562 HydrophobicContact CG-CG2 4.05Å
491A81.9Confident85.9Confident6 Ų666.4 Ų66.45%0.0536%0.358CS..Hα-helixtrans-59.7-32.4-179.300000112.8I480 V486 K487 S488 C493 I494 L499I480-A491 HydrophobicContact CD1-CB 3.69Å; I480-A491 HydrophobicContact CG1-CB 3.98Å; I480-A491 HydrophobicContact CG2-CB 3.87Å; V486-A491 HydrophobicContact CG1-CB 3.89Å; K487-A491 PolarHBondContact O-N 2.95Å; K487-A491 VanDerWaalsContact O-N 3.11Å; S488-A491 PolarHBondContact O-N 3.26Å; A491-C493 VanDerWaalsContact C-N 3.32Å; A491-C493 PolarHBondContact O-N 3.01Å; A491-I494 PolarHBondContact O-N 3.14Å; A491-L499 HydrophobicContact CB-CD1 4.27Å
492H80.6Confident85.9Confident143 Ų14364 Ų6466%0.66234%0.344SS*.THydrogen-bonded Turntrans-72.3-23.6178.2-63.3-64.7000113.7S488 Y490S488-H492 PolarHBondContact O-CD2 2.95Å; Y490-H492 PolarHBondContact O-N 2.88Å
493C85.2Confident85.8Confident110 Ų11058.8 Ų58.874%0.74332%0.322SS*.THydrogen-bonded Turntrans-88.7-11.2178.5-59.20000112.8Y490 A491Y490-C493 PolarHBondContact O-N 2.63Å; Y490-C493 VanDerWaalsContact O-N 3.07Å; A491-C493 VanDerWaalsContact C-N 3.32Å; A491-C493 PolarHBondContact O-N 3.01Å
494I85.9Confident85.7Confident27 Ų2758.3 Ų58.314%0.13832%0.319CS..SBendtrans-96.4128.8-172.6-66.3165.1000109.9V486 Y490 A491 I498 L499 F502 I562V486-I494 HydrophobicContact CG1-CD1 4.07Å; Y490-I494 WeakPolarHBondContact O-CD1 3.37Å; Y490-I494 VanDerWaalsContact O-CG1 3.28Å; Y490-I494 WeakPolarHBondContact O-CG1 3.49Å; Y490-I494 PolarHBondContact O-N 3.44Å; A491-I494 PolarHBondContact O-N 3.14Å; I494-I498 HydrophobicContact CG2-CB 3.63Å; I494-I498 HydrophobicContact CG2-CG2 3.59Å; I494-L499 HydrophobicContact CG2-CB 4.24Å; I494-F502 HydrophobicContact CD1-CD2 4.24Å; I494-F502 HydrophobicContact CD1-CE2 4.26Å; I494-I562 HydrophobicContact CD1-CG2 4.43Å
495P86.2Confident85.6Confident82 Ų8260.6 Ų60.653%0.53234%0.343SS..  trans-55.8143.4172.5-25.132.9000112.7C497 I498 L499P495-C497 PolarHBondContact O-N 3.24Å; P495-C497 VanDerWaalsContact O-N 3.07Å; P495-I498 HydrophobicContact CG-CD1 4.34Å; P495-I498 PolarHBondContact O-N 2.78Å; P495-L499 PolarHBondContact O-N 2.83Å
496N82Confident85.3Confident90 Ų9062.2 Ų62.248%0.48136%0.356SS..Hα-helixtrans-54.8-34-175.3-71-30.2000113.8I498 L499 K500N496-I498 PolarHBondContact O-N 3.19Å; N496-L499 PolarHBondContact O-N 2.6Å; N496-K500 PolarHBondContact O-N 3.01Å
497C83.2Confident85Confident102 Ų10263.3 Ų63.369%0.68936%0.363SS*.Hα-helixtrans-62.5-41.8176.7-60.50000112.3P495 I501P495-C497 PolarHBondContact O-N 3.24Å; P495-C497 VanDerWaalsContact O-N 3.07Å; C497-I501 WeakPolarHBondContact O-CG1 3.34Å; C497-I501 PolarHBondContact O-N 2.82Å
498I85.7Confident84.8Confident69 Ų6960.4 Ų60.435%0.35435%0.35SS..Hα-helixtrans-74.7-38.8179-62.4176.1000110.1I494 P495 N496 K500 I501 F502I494-I498 HydrophobicContact CG2-CB 3.63Å; I494-I498 HydrophobicContact CG2-CG2 3.59Å; P495-I498 HydrophobicContact CG-CD1 4.34Å; P495-I498 PolarHBondContact O-N 2.78Å; N496-I498 PolarHBondContact O-N 3.19Å; I498-K500 VanDerWaalsContact C-N 3.28Å; I498-K500 PolarHBondContact O-N 3.29Å; I498-I501 WeakPolarHBondContact O-CB 3.46Å; I498-I501 PolarHBondContact O-N 3.26Å; I498-I501 VanDerWaalsContact O-N 3.08Å; I498-F502 HydrophobicContact CG2-CD1 4.13Å; I498-F502 HydrophobicContact CG2-CD2 3.91Å; I498-F502 HydrophobicContact CG2-CE1 3.73Å; I498-F502 HydrophobicContact CG2-CE2 3.48Å; I498-F502 VanDerWaalsContact CG2-CE2 3.48Å; I498-F502 HydrophobicContact CG2-CG 4.2Å; I498-F502 HydrophobicContact CG2-CZ 3.36Å; I498-F502 WeakPolarHBondContact O-CG 3.04Å; I498-F502 PolarHBondContact O-N 2.7Å
499L85.5Confident85Confident8 Ų860.7 Ų60.74%0.04235%0.348CS..Hα-helixtrans-60.1-39.5175.6-174.468.2000111.6I480 V486 A491 I494 P495 N496 I501 F502 N503I480-L499 HydrophobicContact CD1-CD2 4.28Å; V486-L499 HydrophobicContact CB-CD1 4.36Å; V486-L499 HydrophobicContact CG1-CD1 4.47Å; V486-L499 HydrophobicContact CG2-CD1 4.4Å; A491-L499 HydrophobicContact CB-CD1 4.27Å; I494-L499 HydrophobicContact CG2-CB 4.24Å; P495-L499 PolarHBondContact O-N 2.83Å; N496-L499 PolarHBondContact O-N 2.6Å; L499-I501 VanDerWaalsContact C-N 3.33Å; L499-I501 PolarHBondContact O-N 3.49Å; L499-F502 PolarHBondContact O-N 3.2Å; L499-N503 WeakPolarHBondContact O-CB 3.48Å; L499-N503 PolarHBondContact O-N 3.46Å
500K83.9Confident85.2Confident92 Ų9256.9 Ų56.940%0.432%0.324SS..Hα-helixtrans-58.1-44.8173177.9169.7-179.5173.50111.2Y476 N496 I498 S504Y476-K500 HydrophobicContact CD2-CB 4.31Å; Y476-K500 HydrophobicContact CD2-CG 4.06Å; Y476-K500 HydrophobicContact CE2-CB 4.4Å; Y476-K500 HydrophobicContact CE2-CD 3.93Å; Y476-K500 HydrophobicContact CE2-CG 3.65Å; N496-K500 PolarHBondContact O-N 3.01Å; I498-K500 VanDerWaalsContact C-N 3.28Å; I498-K500 PolarHBondContact O-N 3.29Å; K500-S504 WeakPolarHBondContact O-CB 3.4Å; K500-S504 PolarHBondContact O-N 3.33Å
501I86.2Confident85.6Confident97 Ų9751.4 Ų51.450%0.49730%0.302SS..Hα-helixtrans-64.8-47.6177.8-63.8166.8000110.6C497 I498 L499 N503 S504C497-I501 WeakPolarHBondContact O-CG1 3.34Å; C497-I501 PolarHBondContact O-N 2.82Å; I498-I501 WeakPolarHBondContact O-CB 3.46Å; I498-I501 PolarHBondContact O-N 3.26Å; I498-I501 VanDerWaalsContact O-N 3.08Å; L499-I501 VanDerWaalsContact C-N 3.33Å; L499-I501 PolarHBondContact O-N 3.49Å; I501-N503 PolarHBondContact O-N 3.25Å; I501-S504 PolarHBondContact O-N 2.92Å; I501-S504 PolarHBondContact O-OG 3.43Å
502F87.8Confident86.2Confident31 Ų3153.2 Ų53.214%0.13631%0.312CS..Hα-helixtrans-69.6-29.8-176-70.3-1.9000114V486 I494 I498 L499 T510 L559 F563V486-F502 HydrophobicContact CG2-CB 3.69Å; V486-F502 HydrophobicContact CG2-CD2 4.02Å; V486-F502 HydrophobicContact CG2-CG 4.36Å; I494-F502 HydrophobicContact CD1-CD2 4.24Å; I494-F502 HydrophobicContact CD1-CE2 4.26Å; I498-F502 HydrophobicContact CG2-CD1 4.13Å; I498-F502 HydrophobicContact CG2-CD2 3.91Å; I498-F502 HydrophobicContact CG2-CE1 3.73Å; I498-F502 HydrophobicContact CG2-CE2 3.48Å; I498-F502 VanDerWaalsContact CG2-CE2 3.48Å; I498-F502 HydrophobicContact CG2-CG 4.2Å; I498-F502 HydrophobicContact CG2-CZ 3.36Å; I498-F502 WeakPolarHBondContact O-CG 3.04Å; I498-F502 PolarHBondContact O-N 2.7Å; L499-F502 PolarHBondContact O-N 3.2Å; F502-T510 HydrophobicContact CD1-CG2 3.86Å; F502-T510 HydrophobicContact CG-CG2 4.49Å; F502-T510 PolarHBondContact O-OG1 3.46Å; F502-T510 VanDerWaalsContact O-OG1 3.04Å; F502-L559 HydrophobicContact CE1-CD1 4.47Å; F502-L559 HydrophobicContact CE2-CD1 3.72Å; F502-L559 HydrophobicContact CZ-CD1 3.57Å; F502-L559 HydrophobicContact CZ-CD2 4.46Å; F502-L559 HydrophobicContact CZ-CG 4.5Å; F502-F563 HydrophobicContact CB-CE1 4.16Å; F502-F563 HydrophobicContact CB-CZ 3.83Å; F502-F563 HydrophobicContact CD1-CZ 4.43Å; F502-F563 HydrophobicContact CD2-CZ 4.19Å; F502-F563 AromaticContact CG-CZ 3.92Å; F502-F563 HydrophobicContact CG-CZ 3.92Å; F502-F563 WeakPolarHBondContact O-CE1 3.3Å
503N85.8Confident86.7Confident0 Ų051.9 Ų51.90%031%0.308CS..THydrogen-bonded Turntrans-102.19.8177.2-70.8-8.2000113.2Y476 R479 F485 V486 L499 I501Y476-N503 HydrophobicContact CD1-CB 4.22Å; Y476-N503 PolarHBondContact O-ND2 3.22Å; R479-N503 HydrophobicContact CB-CB 4.48Å; R479-N503 PolarHBondContact NH1-O 2.93Å; R479-N503 VanDerWaalsContact NH1-O 3.16Å; F485-N503 HydrophobicContact CD1-CB 4.09Å; V486-N503 WeakPolarHBondContact CG2-OD1 3.29Å; V486-N503 PolarHBondContact N-OD1 3.31Å; L499-N503 WeakPolarHBondContact O-CB 3.48Å; L499-N503 PolarHBondContact O-N 3.46Å; I501-N503 PolarHBondContact O-N 3.25Å
504S82.3Confident87.3Confident44 Ų4447.2 Ų47.231%0.30828%0.276SS..  trans-75.3160.3172.169.10000111.8K500 I501K500-S504 WeakPolarHBondContact O-CB 3.4Å; K500-S504 PolarHBondContact O-N 3.33Å; I501-S504 PolarHBondContact O-N 2.92Å; I501-S504 PolarHBondContact O-OG 3.43Å
505G82.8Confident87.7Confident49 Ų4946.4 Ų46.451%0.50527%0.271SS..SBendtrans72.9-157.2176.800000114R479R479-G505 PolarHBondContact NH1-O 3.34Å
506S85Confident88.1Confident44 Ų4444.5 Ų44.531%0.30826%0.263SS..SBendtrans-85.8159.7178.483.90000111.3G508 D509S506-G508 PolarHBondContact O-N 2.86Å; S506-G508 VanDerWaalsContact O-N 3.09Å; S506-D509 WeakPolarHBondContact CA-OD2 3.22Å; S506-D509 VanDerWaalsContact CB-OD2 3.26Å; S506-D509 WeakPolarHBondContact CB-OD2 3.4Å; S506-D509 PolarHBondContact N-OD2 3.33Å; S506-D509 PolarHBondContact O-N 3.35Å; S506-D509 VanDerWaalsContact O-N 3.16Å; S506-D509 PolarHBondContact OG-OD1 3.31Å; S506-D509 PolarHBondContact OG-OD2 2.97Å
507P85.5Confident88.8Confident23 Ų2343.4 Ų43.415%0.14926%0.259CS..THydrogen-bonded Turntrans-58.6117.8-176.6-20.530.7000111.7R444 F485 F566R444-P507 WeakPolarHBondContact CA-O 3.38Å; F485-P507 HydrophobicContact CE2-CB 3.83Å; F485-P507 HydrophobicContact CE2-CG 3.77Å; F485-P507 HydrophobicContact CZ-CB 4.04Å; F485-P507 HydrophobicContact CZ-CG 3.86Å; P507-F566 HydrophobicContact CB-CE2 4.41Å; P507-F566 HydrophobicContact CB-CZ 4.04Å
508G88Confident89.4Confident2 Ų238.8 Ų38.82%0.02123%0.227CC..THydrogen-bonded Turntrans96.7-6.8178.200000116.4Y443 G484 S506 T510 V511 V512Y443-G508 WeakPolarHBondContact O-CA 3.32Å; G484-G508 PolarHBondContact O-N 3.45Å; G484-G508 VanDerWaalsContact O-N 3.14Å; S506-G508 PolarHBondContact O-N 2.86Å; S506-G508 VanDerWaalsContact O-N 3.09Å; G508-T510 VanDerWaalsContact C-N 3.33Å; G508-T510 PolarHBondContact O-N 3.18Å; G508-V511 WeakPolarHBondContact O-CB 3.5Å; G508-V511 PolarHBondContact O-N 3.38Å; G508-V512 PolarHBondContact O-N 3.44Å
509D89.5Confident89.9Confident51 Ų5138.5 Ų38.527%0.27323%0.226SC..Hα-helixtrans-60-42-176-74.1-18.7000112.5R444 S506 V511 V512 M513R444-D509 IonicContact NE-OD1 2.69Å; S506-D509 WeakPolarHBondContact CA-OD2 3.22Å; S506-D509 VanDerWaalsContact CB-OD2 3.26Å; S506-D509 WeakPolarHBondContact CB-OD2 3.4Å; S506-D509 PolarHBondContact N-OD2 3.33Å; S506-D509 PolarHBondContact O-N 3.35Å; S506-D509 VanDerWaalsContact O-N 3.16Å; S506-D509 PolarHBondContact OG-OD1 3.31Å; S506-D509 PolarHBondContact OG-OD2 2.97Å; D509-V511 VanDerWaalsContact C-N 3.27Å; D509-V511 PolarHBondContact O-N 3.03Å; D509-V512 PolarHBondContact O-N 2.87Å; D509-V512 VanDerWaalsContact O-N 3.16Å; D509-M513 WeakPolarHBondContact O-CG 3.42Å; D509-M513 PolarHBondContact O-N 3.29Å
510T91.9Very high90.4Very high9 Ų943.5 Ų43.56%0.05525%0.251CS..Hα-helixtrans-59.7-39.2175.7-47.30000111.8F502 G508 M513 I514 F563F502-T510 HydrophobicContact CD1-CG2 3.86Å; F502-T510 HydrophobicContact CG-CG2 4.49Å; F502-T510 PolarHBondContact O-OG1 3.46Å; F502-T510 VanDerWaalsContact O-OG1 3.04Å; G508-T510 VanDerWaalsContact C-N 3.33Å; G508-T510 PolarHBondContact O-N 3.18Å; T510-M513 PolarHBondContact O-N 3Å; T510-I514 HydrophobicContact CG2-CD1 3.98Å; T510-I514 HydrophobicContact CG2-CG1 4.5Å; T510-I514 WeakPolarHBondContact O-CD1 3.23Å; T510-I514 WeakPolarHBondContact O-CG1 3.48Å; T510-I514 PolarHBondContact O-N 2.83Å; T510-F563 HydrophobicContact CG2-CE1 4.39Å; T510-F563 HydrophobicContact CG2-CE2 4.49Å; T510-F563 HydrophobicContact CG2-CZ 3.74Å
511V93.8Very high91Very high1 Ų140.6 Ų40.61%0.00624%0.24CC..Hα-helixtrans-66.4-40177.8177.10000111I439 Y443 G508 D509 M513 I514 M515 M560 F563I439-V511 HydrophobicContact CG2-CG1 4.04Å; Y443-V511 HydrophobicContact CD1-CB 4.41Å; Y443-V511 HydrophobicContact CD1-CG1 4.11Å; Y443-V511 HydrophobicContact CD1-CG2 3.81Å; Y443-V511 HydrophobicContact CD2-CG1 3.83Å; Y443-V511 HydrophobicContact CE1-CG2 4.41Å; Y443-V511 HydrophobicContact CE2-CG1 4.43Å; Y443-V511 HydrophobicContact CG-CB 4.19Å; Y443-V511 HydrophobicContact CG-CG1 3.64Å; Y443-V511 HydrophobicContact CG-CG2 4.1Å; G508-V511 WeakPolarHBondContact O-CB 3.5Å; G508-V511 PolarHBondContact O-N 3.38Å; D509-V511 VanDerWaalsContact C-N 3.27Å; D509-V511 PolarHBondContact O-N 3.03Å; V511-M513 VanDerWaalsContact C-N 3.33Å; V511-M513 PolarHBondContact O-N 3.43Å; V511-I514 PolarHBondContact O-N 3.2Å; V511-M515 WeakPolarHBondContact O-CB 3.24Å; V511-M515 PolarHBondContact O-N 3.37Å; V511-M560 HydrophobicContact CG1-CB 4.42Å; V511-M560 HydrophobicContact CG1-CG 4Å; V511-M560 HydrophobicContact CG1-SD 4.12Å; V511-F563 HydrophobicContact CG2-CB 3.7Å; V511-F563 HydrophobicContact CG2-CD1 3.84Å; V511-F563 HydrophobicContact CG2-CD2 3.62Å; V511-F563 HydrophobicContact CG2-CE1 4.39Å; V511-F563 HydrophobicContact CG2-CE2 4.21Å; V511-F563 HydrophobicContact CG2-CG 3.43Å; V511-F563 VanDerWaalsContact CG2-CG 3.43Å
512V92.5Very high91.4Very high43 Ų4336.1 Ų36.126%0.26122%0.217SC..Hα-helixtrans-62.8-40.7175.1175.70000111G508 D509 M515 A516G508-V512 PolarHBondContact O-N 3.44Å; D509-V512 PolarHBondContact O-N 2.87Å; D509-V512 VanDerWaalsContact O-N 3.16Å; V512-M515 HydrophobicContact CG1-CE 4.22Å; V512-M515 PolarHBondContact O-N 3.31Å; V512-A516 PolarHBondContact O-N 3.44Å
513M93Very high91.6Very high115 Ų11536.2 Ų36.257%0.56723%0.227SC*.Hα-helixtrans-63.5-44.7174-66.5-159.3-58.700112D509 T510 V511 M515 A516 T517D509-M513 WeakPolarHBondContact O-CG 3.42Å; D509-M513 PolarHBondContact O-N 3.29Å; T510-M513 PolarHBondContact O-N 3Å; V511-M513 VanDerWaalsContact C-N 3.33Å; V511-M513 PolarHBondContact O-N 3.43Å; M513-M515 VanDerWaalsContact C-N 3.31Å; M513-M515 PolarHBondContact O-N 2.82Å; M513-A516 WeakPolarHBondContact O-CB 3.38Å; M513-A516 PolarHBondContact O-N 3.44Å; M513-T517 WeakPolarHBondContact O-CG2 3.41Å; M513-T517 PolarHBondContact O-N 3.33Å
514I95.8Very high91.9Very high13 Ų1339.2 Ų39.27%0.06725%0.245CC..Hα-helixtrans-61.9-42.1176.8-63.2157.6000110.4T510 V511 A516 T517 Y518 C556 L559 M560 F563T510-I514 HydrophobicContact CG2-CD1 3.98Å; T510-I514 HydrophobicContact CG2-CG1 4.5Å; T510-I514 WeakPolarHBondContact O-CD1 3.23Å; T510-I514 WeakPolarHBondContact O-CG1 3.48Å; T510-I514 PolarHBondContact O-N 2.83Å; V511-I514 PolarHBondContact O-N 3.2Å; I514-A516 PolarHBondContact O-N 3.18Å; I514-T517 WeakPolarHBondContact CA-OG1 3.5Å; I514-T517 PolarHBondContact O-N 3.3Å; I514-T517 PolarHBondContact O-OG1 3.25Å; I514-Y518 WeakPolarHBondContact O-CB 3.27Å; I514-Y518 PolarHBondContact O-N 3.02Å; I514-C556 HydrophobicContact CG2-CB 3.9Å; I514-L559 HydrophobicContact CD1-CB 4.38Å; I514-L559 HydrophobicContact CD1-CD2 3.48Å; I514-L559 VanDerWaalsContact CD1-CD2 3.48Å; I514-L559 HydrophobicContact CD1-CG 3.57Å; I514-L559 HydrophobicContact CG1-CD2 3.75Å; I514-L559 HydrophobicContact CG1-CG 4.35Å; I514-L559 HydrophobicContact CG2-CD2 4.34Å; I514-M560 HydrophobicContact CB-CG 4.02Å; I514-M560 HydrophobicContact CG2-CE 4.37Å; I514-M560 HydrophobicContact CG2-CG 3.58Å; I514-M560 HydrophobicContact CG2-SD 4.21Å; I514-F563 HydrophobicContact CD1-CE2 4Å
515M95.1Very high92.3Very high9 Ų937.8 Ų37.84%0.04423%0.234CC..Hα-helixtrans-62-41.5174.9-179.5-173.667.500111.9I436 I439 V511 V512 M513 Y518 I519 M560I436-M515 HydrophobicContact CB-SD 4.31Å; I436-M515 HydrophobicContact CG1-SD 4.4Å; I436-M515 HydrophobicContact CG2-CE 3.69Å; I436-M515 HydrophobicContact CG2-SD 3.83Å; I439-M515 HydrophobicContact CB-SD 3.69Å; I439-M515 HydrophobicContact CD1-CG 4.06Å; I439-M515 HydrophobicContact CD1-SD 3.84Å; I439-M515 HydrophobicContact CG1-SD 4.36Å; I439-M515 HydrophobicContact CG2-CG 4.44Å; I439-M515 HydrophobicContact CG2-SD 3.69Å; V511-M515 WeakPolarHBondContact O-CB 3.24Å; V511-M515 PolarHBondContact O-N 3.37Å; V512-M515 HydrophobicContact CG1-CE 4.22Å; V512-M515 PolarHBondContact O-N 3.31Å; M513-M515 VanDerWaalsContact C-N 3.31Å; M513-M515 PolarHBondContact O-N 2.82Å; M515-Y518 WeakPolarHBondContact O-CB 3.21Å; M515-Y518 PolarHBondContact O-N 3.21Å; M515-I519 HydrophobicContact CG-CD1 4.26Å; M515-I519 WeakPolarHBondContact O-CG1 3.32Å; M515-I519 PolarHBondContact O-N 3.25Å; M515-M560 HydrophobicContact CB-SD 4.24Å
516A95.3Very high92.6Very high43 Ų4336.5 Ų36.536%0.35522%0.215SC..Hα-helixtrans-61.9-43.4174.100000111.6V512 M513 I514 Y518 I519 I520V512-A516 PolarHBondContact O-N 3.44Å; M513-A516 WeakPolarHBondContact O-CB 3.38Å; M513-A516 PolarHBondContact O-N 3.44Å; I514-A516 PolarHBondContact O-N 3.18Å; A516-Y518 VanDerWaalsContact C-N 3.3Å; A516-Y518 PolarHBondContact O-N 3.43Å; A516-I519 PolarHBondContact O-N 2.94Å; A516-I520 WeakPolarHBondContact O-CG1 3.32Å; A516-I520 PolarHBondContact O-N 2.84Å
517T95.7Very high92.6Very high66 Ų6640.2 Ų40.241%0.40523%0.229SC..Hα-helixtrans-62.1-38173.561.90000112M513 I514 I520 L521M513-T517 WeakPolarHBondContact O-CG2 3.41Å; M513-T517 PolarHBondContact O-N 3.33Å; I514-T517 WeakPolarHBondContact CA-OG1 3.5Å; I514-T517 PolarHBondContact O-N 3.3Å; I514-T517 PolarHBondContact O-OG1 3.25Å; T517-I520 PolarHBondContact O-N 2.96Å; T517-L521 WeakPolarHBondContact O-CB 3.43Å; T517-L521 VanDerWaalsContact O-CG 3.25Å; T517-L521 WeakPolarHBondContact O-CG 3.36Å; T517-L521 PolarHBondContact O-N 3.49Å
518Y96.8Very high92.6Very high6 Ų640.5 Ų40.52%0.02423%0.231CC..Hα-helixtrans-62.3-45175.5-175.9-90.7000111.8I514 M515 A516 I520 L521 N522 L553 C556 I557 C584 L587 T588I514-Y518 WeakPolarHBondContact O-CB 3.27Å; I514-Y518 PolarHBondContact O-N 3.02Å; M515-Y518 WeakPolarHBondContact O-CB 3.21Å; M515-Y518 PolarHBondContact O-N 3.21Å; A516-Y518 VanDerWaalsContact C-N 3.3Å; A516-Y518 PolarHBondContact O-N 3.43Å; Y518-I520 PolarHBondContact O-N 3.43Å; Y518-L521 PolarHBondContact O-N 3.42Å; Y518-N522 WeakPolarHBondContact CD1-ND2 3.48Å; Y518-N522 WeakPolarHBondContact CE1-ND2 3.41Å; Y518-N522 PolarHBondContact O-N 3Å; Y518-N522 PolarHBondContact O-ND2 3.3Å; Y518-L553 HydrophobicContact CD2-CB 4.36Å; Y518-L553 HydrophobicContact CD2-CD2 3.49Å; Y518-L553 VanDerWaalsContact CD2-CD2 3.49Å; Y518-L553 HydrophobicContact CE2-CB 3.91Å; Y518-L553 HydrophobicContact CE2-CD2 3.53Å; Y518-L553 HydrophobicContact CE2-CG 4.3Å; Y518-L553 HydrophobicContact CG-CD2 4.02Å; Y518-C556 HydrophobicContact CD2-CB 3.78Å; Y518-I557 HydrophobicContact CD2-CG1 4.48Å; Y518-I557 HydrophobicContact CE2-CD1 3.98Å; Y518-I557 HydrophobicContact CE2-CG1 3.82Å; Y518-C584 HydrophobicContact CE1-CB 3.97Å; Y518-C584 HydrophobicContact CE2-CB 4.24Å; Y518-C584 PolarHBondContact OH-O 3.26Å; Y518-L587 HydrophobicContact CD1-CD2 3.69Å; Y518-L587 HydrophobicContact CE1-CB 4.48Å; Y518-L587 HydrophobicContact CE1-CD2 3.84Å; Y518-L587 HydrophobicContact CE1-CG 4.46Å; Y518-T588 PolarHBondContact OH-OG1 3.35Å
519I95.4Very high92.3Very high62 Ų6242.7 Ų42.732%0.31824%0.243SC..Hα-helixtrans-60.6-46.2176.5-66.6159.5000110.5I436 M515 A516 L521 N522 G523 L587I436-I519 HydrophobicContact CD1-CD1 3.63Å; I436-I519 HydrophobicContact CD1-CG1 4.41Å; I436-I519 HydrophobicContact CG1-CD1 4.03Å; M515-I519 HydrophobicContact CG-CD1 4.26Å; M515-I519 WeakPolarHBondContact O-CG1 3.32Å; M515-I519 PolarHBondContact O-N 3.25Å; A516-I519 PolarHBondContact O-N 2.94Å; I519-L521 PolarHBondContact O-N 3.14Å; I519-N522 PolarHBondContact O-N 3.33Å; I519-G523 PolarHBondContact O-N 3.3Å; I519-G523 VanDerWaalsContact O-N 3.11Å; I519-L587 HydrophobicContact CD1-CD2 4.48Å; I519-L587 HydrophobicContact CG1-CD2 3.56Å
520I95.6Very high91.6Very high113 Ų11343.7 Ų43.758%0.57925%0.25SS*.Hα-helixtrans-61.4-45.5177.7-66.6163.7000110.7A516 T517 Y518 N522 G523 V524A516-I520 WeakPolarHBondContact O-CG1 3.32Å; A516-I520 PolarHBondContact O-N 2.84Å; T517-I520 PolarHBondContact O-N 2.96Å; Y518-I520 PolarHBondContact O-N 3.43Å; I520-N522 VanDerWaalsContact C-N 3.3Å; I520-N522 PolarHBondContact O-N 3.06Å; I520-G523 WeakPolarHBondContact O-CA 3.39Å; I520-G523 PolarHBondContact O-N 3.49Å; I520-V524 HydrophobicContact CG2-CG2 4.39Å; I520-V524 WeakPolarHBondContact O-CG2 3.36Å; I520-V524 PolarHBondContact O-N 3Å
521L96.3Very high90.7Very high32 Ų3248.8 Ų48.817%0.16828%0.276CS..Hα-helixtrans-61.1-35.6177.3-74.9170.3000112.6T517 Y518 I519 V524 L525 L552 L553T517-L521 WeakPolarHBondContact O-CB 3.43Å; T517-L521 VanDerWaalsContact O-CG 3.25Å; T517-L521 WeakPolarHBondContact O-CG 3.36Å; T517-L521 PolarHBondContact O-N 3.49Å; Y518-L521 PolarHBondContact O-N 3.42Å; I519-L521 PolarHBondContact O-N 3.14Å; L521-V524 PolarHBondContact O-N 2.98Å; L521-L525 WeakPolarHBondContact O-CB 3.3Å; L521-L525 PolarHBondContact O-N 3.23Å; L521-L552 HydrophobicContact CD1-CB 3.88Å; L521-L552 HydrophobicContact CD2-CB 4.39Å; L521-L552 HydrophobicContact CD2-CD1 4.05Å; L521-L553 HydrophobicContact CB-CD2 3.52Å; L521-L553 HydrophobicContact CB-CG 4.2Å; L521-L553 HydrophobicContact CD1-CD2 4.32Å
522N94.9Very high89Confident2 Ų250.9 Ų50.91%0.01130%0.298CS..Hα-helixtrans-64.7-41.3172.4-81.4-83.8000111.7Y518 I519 I520 L525 I526 L553 T588 V591Y518-N522 WeakPolarHBondContact CD1-ND2 3.48Å; Y518-N522 WeakPolarHBondContact CE1-ND2 3.41Å; Y518-N522 PolarHBondContact O-N 3Å; Y518-N522 PolarHBondContact O-ND2 3.3Å; I519-N522 PolarHBondContact O-N 3.33Å; I520-N522 VanDerWaalsContact C-N 3.3Å; I520-N522 PolarHBondContact O-N 3.06Å; N522-L525 WeakPolarHBondContact O-CB 3.34Å; N522-L525 PolarHBondContact O-N 3.26Å; N522-I526 WeakPolarHBondContact O-CG1 3.31Å; N522-I526 PolarHBondContact O-N 2.95Å; N522-L553 WeakPolarHBondContact ND2-CD2 3.32Å; N522-T588 WeakPolarHBondContact OD1-CA 3Å; N522-T588 VanDerWaalsContact OD1-CB 3.28Å; N522-T588 WeakPolarHBondContact OD1-CB 3.39Å; N522-T588 WeakPolarHBondContact OD1-CG2 3.33Å; N522-T588 PolarHBondContact OD1-OG1 2.89Å; N522-V591 HydrophobicContact CB-CG1 4.13Å
523G92.6Very high87.2Confident33 Ų3351.7 Ų51.734%0.3431%0.309SS..Hα-helixtrans-60.5-45.2173.500000112.3I519 I520 I526 M527I519-G523 PolarHBondContact O-N 3.3Å; I519-G523 VanDerWaalsContact O-N 3.11Å; I520-G523 WeakPolarHBondContact O-CA 3.39Å; I520-G523 PolarHBondContact O-N 3.49Å; G523-I526 PolarHBondContact O-N 3.42Å; G523-M527 WeakPolarHBondContact O-CG 3.08Å; G523-M527 PolarHBondContact O-N 3Å
524V91.9Very high85.4Confident64 Ų6454.8 Ų54.839%0.38832%0.319SS..Hα-helixtrans-64.7-42.2176.5179.20000111.2I520 L521 I526 M527 C528 I549I520-V524 HydrophobicContact CG2-CG2 4.39Å; I520-V524 WeakPolarHBondContact O-CG2 3.36Å; I520-V524 PolarHBondContact O-N 3Å; L521-V524 PolarHBondContact O-N 2.98Å; V524-I526 VanDerWaalsContact C-N 3.31Å; V524-I526 PolarHBondContact O-N 3.39Å; V524-M527 PolarHBondContact O-N 3.41Å; V524-C528 PolarHBondContact O-N 3.08Å; V524-C528 PolarHBondContact O-SG 3.35Å; V524-C528 VanDerWaalsContact O-SG 3.39Å; V524-I549 HydrophobicContact CG1-CD1 3.9Å
525L92Very high83.4Confident13 Ų1361.5 Ų61.57%0.06835%0.35CS..Hα-helixtrans-55-49.2175.3179.860.3000110.6L521 N522 C528 L529 V546 I549 L550 L553L521-L525 WeakPolarHBondContact O-CB 3.3Å; L521-L525 PolarHBondContact O-N 3.23Å; N522-L525 WeakPolarHBondContact O-CB 3.34Å; N522-L525 PolarHBondContact O-N 3.26Å; L525-C528 WeakPolarHBondContact O-CB 3.35Å; L525-C528 PolarHBondContact O-N 2.71Å; L525-L529 HydrophobicContact CD1-CD1 4.19Å; L525-L529 HydrophobicContact CD1-CG 4.33Å; L525-L529 HydrophobicContact CG-CD1 3.98Å; L525-L529 HydrophobicContact CG-CG 4.48Å; L525-L529 VanDerWaalsContact O-CG 3.27Å; L525-L529 WeakPolarHBondContact O-CG 3.37Å; L525-L529 PolarHBondContact O-N 2.94Å; L525-V546 HydrophobicContact CD1-CG1 4.07Å; L525-V546 HydrophobicContact CD1-CG2 4.49Å; L525-I549 HydrophobicContact CB-CG2 3.75Å; L525-I549 HydrophobicContact CD1-CB 4.32Å; L525-I549 HydrophobicContact CD1-CG2 4.08Å; L525-I549 HydrophobicContact CG-CG2 4.38Å; L525-L550 HydrophobicContact CD2-CD2 3.95Å; L525-L553 HydrophobicContact CD2-CD1 3.8Å
526I88.5Confident81.6Confident23 Ų2368.1 Ų68.112%0.11838%0.381CS..Hα-helixtrans-65.8-41.8179.9-71.7176.5000111.6N522 G523 V524 C528 L529 T530 V591N522-I526 WeakPolarHBondContact O-CG1 3.31Å; N522-I526 PolarHBondContact O-N 2.95Å; G523-I526 PolarHBondContact O-N 3.42Å; V524-I526 VanDerWaalsContact C-N 3.31Å; V524-I526 PolarHBondContact O-N 3.39Å; I526-C528 VanDerWaalsContact C-N 3.29Å; I526-C528 PolarHBondContact O-N 2.87Å; I526-L529 PolarHBondContact O-N 3.47Å; I526-L529 VanDerWaalsContact O-N 3.1Å; I526-T530 HydrophobicContact CG2-CG2 4Å; I526-T530 WeakPolarHBondContact O-CB 3.48Å; I526-T530 WeakPolarHBondContact O-CG2 3.25Å; I526-T530 PolarHBondContact O-N 3.47Å; I526-T530 PolarHBondContact O-OG1 3.32Å; I526-V591 HydrophobicContact CD1-CB 4.06Å; I526-V591 HydrophobicContact CD1-CG1 3.14Å; I526-V591 WeakPolarHBondContact CD1-O 3.49Å; I526-V591 HydrophobicContact CG1-CG1 4.41Å
527M85.3Confident80.1Confident121 Ų12174.3 Ų74.360%0.59641%0.407SS*.Hα-helixtrans-58.7-43.3173.6-75.6-158.1-179.700111G523 V524 L529 T530 I531G523-M527 WeakPolarHBondContact O-CG 3.08Å; G523-M527 PolarHBondContact O-N 3Å; V524-M527 PolarHBondContact O-N 3.41Å; M527-L529 VanDerWaalsContact C-N 3.32Å; M527-L529 PolarHBondContact O-N 3.25Å; M527-T530 PolarHBondContact O-N 3.19Å; M527-I531 HydrophobicContact CB-CD1 3.84Å; M527-I531 HydrophobicContact CG-CD1 4.25Å; M527-I531 WeakPolarHBondContact O-CB 3.28Å; M527-I531 WeakPolarHBondContact O-CG1 3.39Å; M527-I531 PolarHBondContact O-N 2.89Å; M527-I531 HydrophobicContact SD-CD1 4.34Å
528C84.5Confident78.9Confident29 Ų2976.5 Ų76.520%0.19641%0.408CS..Hα-helixtrans-63-35.2174.1-70.90000113V524 L525 I526 R542 V546 I549V524-C528 PolarHBondContact O-N 3.08Å; V524-C528 PolarHBondContact O-SG 3.35Å; V524-C528 VanDerWaalsContact O-SG 3.39Å; L525-C528 WeakPolarHBondContact O-CB 3.35Å; L525-C528 PolarHBondContact O-N 2.71Å; I526-C528 VanDerWaalsContact C-N 3.29Å; I526-C528 PolarHBondContact O-N 2.87Å; C528-R542 VanDerWaalsContact O-CZ 3.24Å; C528-R542 PolarHBondContact O-NE 3.46Å; C528-R542 PolarHBondContact O-NH2 3.4Å; C528-V546 HydrophobicContact CB-CG2 4.34Å; C528-I549 HydrophobicContact CB-CD1 4.41Å
529L81.9Confident78.1Confident49 Ų4978.9 Ų78.926%0.25742%0.424SS..Hα-helixtrans-78.4-29.2179.4-68173.8000113.4L525 I526 M527 W538 R542 V546 F592L525-L529 HydrophobicContact CD1-CD1 4.19Å; L525-L529 HydrophobicContact CD1-CG 4.33Å; L525-L529 HydrophobicContact CG-CD1 3.98Å; L525-L529 HydrophobicContact CG-CG 4.48Å; L525-L529 VanDerWaalsContact O-CG 3.27Å; L525-L529 WeakPolarHBondContact O-CG 3.37Å; L525-L529 PolarHBondContact O-N 2.94Å; I526-L529 PolarHBondContact O-N 3.47Å; I526-L529 VanDerWaalsContact O-N 3.1Å; M527-L529 VanDerWaalsContact C-N 3.32Å; M527-L529 PolarHBondContact O-N 3.25Å; L529-W538 HydrophobicContact CD2-CH2 3.61Å; L529-W538 HydrophobicContact CD2-CZ3 4.1Å; L529-R542 PolarHBondContact O-NH2 3.43Å; L529-V546 HydrophobicContact CD2-CG1 4.33Å; L529-V546 HydrophobicContact CD2-CG2 3.92Å; L529-F592 HydrophobicContact CD1-CD2 4.46Å; L529-F592 HydrophobicContact CD1-CE2 4.23Å
530T75.6Confident77.6Confident71 Ų7181.3 Ų81.344%0.43644%0.442SS..Hα-helixtrans-99.6-31.5-174.456.20000113.7I526 M527 G532I526-T530 HydrophobicContact CG2-CG2 4Å; I526-T530 WeakPolarHBondContact O-CB 3.48Å; I526-T530 WeakPolarHBondContact O-CG2 3.25Å; I526-T530 PolarHBondContact O-N 3.47Å; I526-T530 PolarHBondContact O-OG1 3.32Å; M527-T530 PolarHBondContact O-N 3.19Å; T530-G532 PolarHBondContact O-N 3.49Å
531I71.4Confident77Confident117 Ų11783.9 Ų83.960%0.644%0.444SS*.SBendtrans-80.2110.8179.2-59.8171.2000109.5M527 R542M527-I531 HydrophobicContact CB-CD1 3.84Å; M527-I531 HydrophobicContact CG-CD1 4.25Å; M527-I531 WeakPolarHBondContact O-CB 3.28Å; M527-I531 WeakPolarHBondContact O-CG1 3.39Å; M527-I531 PolarHBondContact O-N 2.89Å; M527-I531 HydrophobicContact SD-CD1 4.34Å; I531-R542 PolarHBondContact O-NH2 3.45Å; I531-R542 VanDerWaalsContact O-NH2 3.16Å
532G60Low76.4Confident44 Ų4483 Ų8345%0.45444%0.439SS..SBendtrans144.3154.2175.800000112.4T530 K534T530-G532 PolarHBondContact O-N 3.49Å; G532-K534 PolarHBondContact O-N 3.36Å
533A52.9Low76Confident61 Ų6187 Ų8750%0.50446%0.459SS..  trans-60.8121.4178.600000110.1H535 E536A533-H535 PolarHBondContact O-N 2.87Å; A533-E536 HydrophobicContact CB-CG 4.4Å; A533-E536 PolarHBondContact O-N 3.49Å
534K56.9Low75.9Confident179 Ų17989 Ų8978%0.77846%0.464SS*.THydrogen-bonded Turntrans-57.6-16.5177.6-75.4-175175.5-175.10113.5G532G532-K534 PolarHBondContact O-N 3.36Å
535H52.2Low75.8Confident154 Ų15488 Ų8871%0.71346%0.46SS*.THydrogen-bonded Turntrans-112.70.6-169.3-67-65000115.6A533A533-H535 PolarHBondContact O-N 2.87Å
536E57.8Low75.8Confident149 Ų14988.3 Ų88.370%0.69646%0.462SS*.SBendtrans-101.6147.2172.9-71.3-176.5173.600110.9A533 W538A533-E536 HydrophobicContact CB-CG 4.4Å; A533-E536 PolarHBondContact O-N 3.49Å; E536-W538 PolarHBondContact O-N 3.34Å
537L63.3Low76Confident173 Ų17391.5 Ų91.591%0.90648%0.483SS*.PPolyproline II helixtrans-52.6133.9172.3-92.293.6000109.2P539L537-P539 WeakPolarHBondContact O-CD 3.37Å; L537-P539 VanDerWaalsContact O-N 3.16Å
538W71.1Confident76.4Confident111 Ų11190.6 Ų90.642%0.4248%0.48SS..PPolyproline II helixtrans-61.6121.8-179.7-77.229.1000109.4L529 E536 R542 I543 V546L529-W538 HydrophobicContact CD2-CH2 3.61Å; L529-W538 HydrophobicContact CD2-CZ3 4.1Å; E536-W538 PolarHBondContact O-N 3.34Å; W538-R542 HydrophobicContact CE3-CG 4.27Å; W538-I543 HydrophobicContact CB-CD1 4.22Å; W538-I543 HydrophobicContact CB-CG1 4.07Å; W538-I543 HydrophobicContact CE3-CG1 4.13Å; W538-V546 HydrophobicContact CZ3-CG2 4.36Å
539P80.1Confident76.9Confident56 Ų5690 Ų9036%0.36447%0.474SS..PPolyproline II helixtrans-64143.3177.328-34.8000109.1L537 W541 R542L537-P539 WeakPolarHBondContact O-CD 3.37Å; L537-P539 VanDerWaalsContact O-N 3.16Å; P539-W541 HydrophobicContact CB-CG 4.47Å; P539-W541 HydrophobicContact CG-CZ2 4.13Å; P539-W541 VanDerWaalsContact CG-NE1 3.25Å; P539-W541 PolarHBondContact O-N 2.93Å; P539-W541 VanDerWaalsContact O-N 3.08Å; P539-R542 HydrophobicContact CG-CB 4.08Å; P539-R542 WeakPolarHBondContact O-CB 3.43Å; P539-R542 PolarHBondContact O-N 3.27Å
540V84.5Confident77.6Confident113 Ų11391.4 Ų91.469%0.68548%0.482SS*.Hα-helixtrans-52.9-38.3-172.5178.70000112.2R542 I543 V544V540-R542 PolarHBondContact O-N 3Å; V540-I543 PolarHBondContact O-N 2.92Å; V540-V544 HydrophobicContact CG1-CG2 4.23Å; V540-V544 WeakPolarHBondContact O-CG2 3.44Å; V540-V544 PolarHBondContact O-N 3.04Å
541W83.7Confident78.5Confident168 Ų16890.6 Ų90.664%0.63648%0.483SS*.Hα-helixtrans-58-3617870.8-99.8000112.7P539 V544 C545P539-W541 HydrophobicContact CB-CG 4.47Å; P539-W541 HydrophobicContact CG-CZ2 4.13Å; P539-W541 VanDerWaalsContact CG-NE1 3.25Å; P539-W541 PolarHBondContact O-N 2.93Å; P539-W541 VanDerWaalsContact O-N 3.08Å; W541-V544 PolarHBondContact O-N 2.88Å; W541-C545 WeakPolarHBondContact O-CB 3.38Å; W541-C545 PolarHBondContact O-N 3.43Å; W541-C545 PolarHBondContact O-SG 3.39Å
542R84.1Confident79.7Confident13 Ų1389.4 Ų89.45%0.04948%0.477CS..Hα-helixtrans-69.4-42-180-171.5-178.7-174.3-168.92.2111.3C528 L529 I531 W538 P539 V540 C545 V546C528-R542 VanDerWaalsContact O-CZ 3.24Å; C528-R542 PolarHBondContact O-NE 3.46Å; C528-R542 PolarHBondContact O-NH2 3.4Å; L529-R542 PolarHBondContact O-NH2 3.43Å; I531-R542 PolarHBondContact O-NH2 3.45Å; I531-R542 VanDerWaalsContact O-NH2 3.16Å; W538-R542 HydrophobicContact CE3-CG 4.27Å; P539-R542 HydrophobicContact CG-CB 4.08Å; P539-R542 WeakPolarHBondContact O-CB 3.43Å; P539-R542 PolarHBondContact O-N 3.27Å; V540-R542 PolarHBondContact O-N 3Å; R542-C545 PolarHBondContact O-N 3.18Å; R542-V546 WeakPolarHBondContact O-CG2 3.36Å; R542-V546 PolarHBondContact O-N 3.41Å
543I86.6Confident81.5Confident86 Ų8687.7 Ų87.744%0.44146%0.457SS..Hα-helixtrans-62.2-47175.4-60.6172.5000109.6W538 V540 C545 V546 V547W538-I543 HydrophobicContact CB-CD1 4.22Å; W538-I543 HydrophobicContact CB-CG1 4.07Å; W538-I543 HydrophobicContact CE3-CG1 4.13Å; V540-I543 PolarHBondContact O-N 2.92Å; I543-C545 PolarHBondContact O-N 2.98Å; I543-V546 PolarHBondContact O-N 3.36Å; I543-V547 WeakPolarHBondContact O-CG2 3.19Å; I543-V547 PolarHBondContact O-N 3.4Å
544V89.6Confident83.5Confident74 Ų7489.6 Ų89.645%0.44846%0.458SS..Hα-helixtrans-59.5-45.9176.8174.40000110.9V540 W541 V546 V547 L548V540-V544 HydrophobicContact CG1-CG2 4.23Å; V540-V544 WeakPolarHBondContact O-CG2 3.44Å; V540-V544 PolarHBondContact O-N 3.04Å; W541-V544 PolarHBondContact O-N 2.88Å; V544-V546 PolarHBondContact O-N 2.83Å; V544-V547 PolarHBondContact O-N 3.1Å; V544-L548 HydrophobicContact CG1-CD1 3.91Å; V544-L548 HydrophobicContact CG1-CG 4.31Å; V544-L548 WeakPolarHBondContact O-CB 3.38Å; V544-L548 VanDerWaalsContact O-CG 3.28Å; V544-L548 WeakPolarHBondContact O-CG 3.44Å; V544-L548 PolarHBondContact O-N 3.41Å
545C90.2Very high85.3Confident45 Ų4584.1 Ų84.130%0.30444%0.443SS..Hα-helixtrans-58.3-46.1176.1-73.40000112.5W541 R542 I543 V547 L548 I549W541-C545 WeakPolarHBondContact O-CB 3.38Å; W541-C545 PolarHBondContact O-N 3.43Å; W541-C545 PolarHBondContact O-SG 3.39Å; R542-C545 PolarHBondContact O-N 3.18Å; I543-C545 PolarHBondContact O-N 2.98Å; C545-V547 PolarHBondContact O-N 2.9Å; C545-L548 PolarHBondContact O-N 3.2Å; C545-I549 WeakPolarHBondContact O-CD1 3.19Å; C545-I549 VanDerWaalsContact O-CG1 3.23Å; C545-I549 WeakPolarHBondContact O-CG1 3.27Å; C545-I549 PolarHBondContact O-N 2.9Å
546V91.4Very high87.4Confident18 Ų1877.4 Ų77.411%0.10941%0.413CS..Hα-helixtrans-61.3-45.7178.3169.30000111L525 C528 L529 W538 R542 I543 V544 L548 I549 L550L525-V546 HydrophobicContact CD1-CG1 4.07Å; L525-V546 HydrophobicContact CD1-CG2 4.49Å; C528-V546 HydrophobicContact CB-CG2 4.34Å; L529-V546 HydrophobicContact CD2-CG1 4.33Å; L529-V546 HydrophobicContact CD2-CG2 3.92Å; W538-V546 HydrophobicContact CZ3-CG2 4.36Å; R542-V546 WeakPolarHBondContact O-CG2 3.36Å; R542-V546 PolarHBondContact O-N 3.41Å; I543-V546 PolarHBondContact O-N 3.36Å; V544-V546 PolarHBondContact O-N 2.83Å; V546-L548 PolarHBondContact O-N 2.86Å; V546-I549 PolarHBondContact O-N 3.24Å; V546-L550 HydrophobicContact CG1-CD1 4.02Å; V546-L550 HydrophobicContact CG1-CG 4.45Å; V546-L550 VanDerWaalsContact O-CG 3.3Å; V546-L550 WeakPolarHBondContact O-CG 3.26Å; V546-L550 PolarHBondContact O-N 2.71Å
547V92.9Very high89.3Confident90 Ų9071.5 Ų71.555%0.54539%0.386SS..Hα-helixtrans-62.2-42.5177.9173.60000111.5I543 V544 C545 L550 A551I543-V547 WeakPolarHBondContact O-CG2 3.19Å; I543-V547 PolarHBondContact O-N 3.4Å; V544-V547 PolarHBondContact O-N 3.1Å; C545-V547 PolarHBondContact O-N 2.9Å; V547-L550 PolarHBondContact O-N 3.17Å; V547-A551 WeakPolarHBondContact O-CB 3.34Å; V547-A551 PolarHBondContact O-N 3.16Å
548L94.9Very high90.8Very high103 Ų10368.2 Ų68.254%0.53937%0.368SS..Hα-helixtrans-63.3-43.2176.6-71.3173.8000112V544 C545 V546 A551 L552V544-L548 HydrophobicContact CG1-CD1 3.91Å; V544-L548 HydrophobicContact CG1-CG 4.31Å; V544-L548 WeakPolarHBondContact O-CB 3.38Å; V544-L548 VanDerWaalsContact O-CG 3.28Å; V544-L548 WeakPolarHBondContact O-CG 3.44Å; V544-L548 PolarHBondContact O-N 3.41Å; C545-L548 PolarHBondContact O-N 3.2Å; V546-L548 PolarHBondContact O-N 2.86Å; L548-A551 PolarHBondContact O-N 2.88Å; L548-L552 WeakPolarHBondContact O-CG 3.36Å; L548-L552 PolarHBondContact O-N 2.98Å
549I95.1Very high91.8Very high15 Ų1565.1 Ų65.18%0.07736%0.359CS..Hα-helixtrans-65.6-41.7178.1-65.1161.3000110.7V524 L525 C528 C545 V546 A551 L552 L553V524-I549 HydrophobicContact CG1-CD1 3.9Å; L525-I549 HydrophobicContact CB-CG2 3.75Å; L525-I549 HydrophobicContact CD1-CB 4.32Å; L525-I549 HydrophobicContact CD1-CG2 4.08Å; L525-I549 HydrophobicContact CG-CG2 4.38Å; C528-I549 HydrophobicContact CB-CD1 4.41Å; C545-I549 WeakPolarHBondContact O-CD1 3.19Å; C545-I549 VanDerWaalsContact O-CG1 3.23Å; C545-I549 WeakPolarHBondContact O-CG1 3.27Å; C545-I549 PolarHBondContact O-N 2.9Å; V546-I549 PolarHBondContact O-N 3.24Å; I549-A551 VanDerWaalsContact C-N 3.33Å; I549-A551 PolarHBondContact O-N 3.46Å; I549-L552 WeakPolarHBondContact O-CB 3.46Å; I549-L552 PolarHBondContact O-N 3.45Å; I549-L553 HydrophobicContact CG2-CD1 4.27Å; I549-L553 HydrophobicContact CG2-CG 4.41Å; I549-L553 WeakPolarHBondContact O-CG 3.41Å; I549-L553 PolarHBondContact O-N 3.22Å
550L94.6Very high92.5Very high79 Ų7962.5 Ų62.541%0.41434%0.342SS..Hα-helixtrans-61-41.8174.7-70.9172.9000111.7L525 V546 V547 L552 L553 I554L525-L550 HydrophobicContact CD2-CD2 3.95Å; V546-L550 HydrophobicContact CG1-CD1 4.02Å; V546-L550 HydrophobicContact CG1-CG 4.45Å; V546-L550 VanDerWaalsContact O-CG 3.3Å; V546-L550 WeakPolarHBondContact O-CG 3.26Å; V546-L550 PolarHBondContact O-N 2.71Å; V547-L550 PolarHBondContact O-N 3.17Å; L550-L552 VanDerWaalsContact C-N 3.33Å; L550-L552 PolarHBondContact O-N 2.95Å; L550-L553 HydrophobicContact CD2-CD1 4.47Å; L550-L553 PolarHBondContact O-N 2.87Å; L550-I554 VanDerWaalsContact O-CG1 3.3Å; L550-I554 WeakPolarHBondContact O-CG1 3.41Å; L550-I554 PolarHBondContact O-N 3.35Å
551A95.7Very high93Very high55 Ų5559.1 Ų59.146%0.45532%0.323SS..Hα-helixtrans-62.7-39.3174.500000112.2V547 L548 I549 I554 S555V547-A551 WeakPolarHBondContact O-CB 3.34Å; V547-A551 PolarHBondContact O-N 3.16Å; L548-A551 PolarHBondContact O-N 2.88Å; I549-A551 VanDerWaalsContact C-N 3.33Å; I549-A551 PolarHBondContact O-N 3.46Å; A551-I554 PolarHBondContact O-N 2.83Å; A551-S555 WeakPolarHBondContact O-CB 3.05Å; A551-S555 PolarHBondContact O-N 3.31Å
552L96.7Very high93.4Very high91 Ų9152.2 Ų52.248%0.47630%0.299SS..Hα-helixtrans-65.6-42.2174.6-71172.2000112.3L521 L548 I549 L550 I554 S555 C556L521-L552 HydrophobicContact CD1-CB 3.88Å; L521-L552 HydrophobicContact CD2-CB 4.39Å; L521-L552 HydrophobicContact CD2-CD1 4.05Å; L548-L552 WeakPolarHBondContact O-CG 3.36Å; L548-L552 PolarHBondContact O-N 2.98Å; I549-L552 WeakPolarHBondContact O-CB 3.46Å; I549-L552 PolarHBondContact O-N 3.45Å; L550-L552 VanDerWaalsContact C-N 3.33Å; L550-L552 PolarHBondContact O-N 2.95Å; L552-I554 PolarHBondContact O-N 3.17Å; L552-S555 WeakPolarHBondContact O-CB 3.5Å; L552-S555 PolarHBondContact O-N 3.44Å; L552-C556 PolarHBondContact O-N 3.02Å; L552-C556 PolarHBondContact O-SG 3.16Å; L552-C556 VanDerWaalsContact O-SG 3.36Å
553L96.6Very high93.8Very high8 Ų851.6 Ų51.64%0.04230%0.297CS..Hα-helixtrans-60.9-44.8175.4-71.5173000111.4Y518 L521 N522 L525 I549 L550 S555 C556 I557Y518-L553 HydrophobicContact CD2-CB 4.36Å; Y518-L553 HydrophobicContact CD2-CD2 3.49Å; Y518-L553 VanDerWaalsContact CD2-CD2 3.49Å; Y518-L553 HydrophobicContact CE2-CB 3.91Å; Y518-L553 HydrophobicContact CE2-CD2 3.53Å; Y518-L553 HydrophobicContact CE2-CG 4.3Å; Y518-L553 HydrophobicContact CG-CD2 4.02Å; L521-L553 HydrophobicContact CB-CD2 3.52Å; L521-L553 HydrophobicContact CB-CG 4.2Å; L521-L553 HydrophobicContact CD1-CD2 4.32Å; N522-L553 WeakPolarHBondContact ND2-CD2 3.32Å; L525-L553 HydrophobicContact CD2-CD1 3.8Å; I549-L553 HydrophobicContact CG2-CD1 4.27Å; I549-L553 HydrophobicContact CG2-CG 4.41Å; I549-L553 WeakPolarHBondContact O-CG 3.41Å; I549-L553 PolarHBondContact O-N 3.22Å; L550-L553 HydrophobicContact CD2-CD1 4.47Å; L550-L553 PolarHBondContact O-N 2.87Å; L553-S555 VanDerWaalsContact C-N 3.34Å; L553-S555 PolarHBondContact O-N 3.23Å; L553-C556 WeakPolarHBondContact O-CB 3.45Å; L553-C556 PolarHBondContact O-N 2.89Å; L553-I557 WeakPolarHBondContact O-CG1 3.41Å; L553-I557 PolarHBondContact O-N 3.15Å; L553-I557 VanDerWaalsContact O-N 3.15Å
554I95.8Very high94Very high101 Ų10150.8 Ų50.852%0.51829%0.29SS..Hα-helixtrans-62.1-43.5175-66.9165.6000110.3L550 A551 L552 C556 I557 I558L550-I554 VanDerWaalsContact O-CG1 3.3Å; L550-I554 WeakPolarHBondContact O-CG1 3.41Å; L550-I554 PolarHBondContact O-N 3.35Å; A551-I554 PolarHBondContact O-N 2.83Å; L552-I554 PolarHBondContact O-N 3.17Å; I554-C556 VanDerWaalsContact C-N 3.35Å; I554-C556 PolarHBondContact O-N 3.02Å; I554-I557 PolarHBondContact O-N 3.36Å; I554-I557 VanDerWaalsContact O-N 3.16Å; I554-I558 HydrophobicContact CG2-CD1 3.83Å; I554-I558 HydrophobicContact CG2-CG1 4.41Å; I554-I558 WeakPolarHBondContact O-CG1 3.31Å; I554-I558 PolarHBondContact O-N 3.2Å
555S95.2Very high94.1Very high65 Ų6549.7 Ų49.746%0.45528%0.28SS..Hα-helixtrans-58.7-43.4176.1-174.80000112.1A551 L552 L553 I557 I558 L559A551-S555 WeakPolarHBondContact O-CB 3.05Å; A551-S555 PolarHBondContact O-N 3.31Å; L552-S555 WeakPolarHBondContact O-CB 3.5Å; L552-S555 PolarHBondContact O-N 3.44Å; L553-S555 VanDerWaalsContact C-N 3.34Å; L553-S555 PolarHBondContact O-N 3.23Å; S555-I557 PolarHBondContact O-N 3.48Å; S555-I558 PolarHBondContact O-N 2.82Å; S555-L559 VanDerWaalsContact O-CB 3.24Å; S555-L559 WeakPolarHBondContact O-CB 3.46Å; S555-L559 PolarHBondContact O-N 3.19Å
556C96.7Very high94Very high13 Ų1349.8 Ų49.89%0.08828%0.275CS..Hα-helixtrans-58.9-42.9174.2-71.90000112.3I514 Y518 L552 L553 I554 L559 M560I514-C556 HydrophobicContact CG2-CB 3.9Å; Y518-C556 HydrophobicContact CD2-CB 3.78Å; L552-C556 PolarHBondContact O-N 3.02Å; L552-C556 PolarHBondContact O-SG 3.16Å; L552-C556 VanDerWaalsContact O-SG 3.36Å; L553-C556 WeakPolarHBondContact O-CB 3.45Å; L553-C556 PolarHBondContact O-N 2.89Å; I554-C556 VanDerWaalsContact C-N 3.35Å; I554-C556 PolarHBondContact O-N 3.02Å; C556-L559 PolarHBondContact O-N 3.41Å; C556-M560 WeakPolarHBondContact O-CG 3.42Å; C556-M560 PolarHBondContact O-N 2.86Å
557I95.9Very high93.5Very high25 Ų2551.2 Ų51.213%0.12829%0.293CS..Hα-helixtrans-64.5-44.9177.9-63.8169.3000110.9Y518 L553 I554 S555 L559 M560 S561 P580 F581 C584Y518-I557 HydrophobicContact CD2-CG1 4.48Å; Y518-I557 HydrophobicContact CE2-CD1 3.98Å; Y518-I557 HydrophobicContact CE2-CG1 3.82Å; L553-I557 WeakPolarHBondContact O-CG1 3.41Å; L553-I557 PolarHBondContact O-N 3.15Å; L553-I557 VanDerWaalsContact O-N 3.15Å; I554-I557 PolarHBondContact O-N 3.36Å; I554-I557 VanDerWaalsContact O-N 3.16Å; S555-I557 PolarHBondContact O-N 3.48Å; I557-L559 VanDerWaalsContact C-N 3.31Å; I557-L559 PolarHBondContact O-N 2.88Å; I557-M560 PolarHBondContact O-N 2.83Å; I557-S561 WeakPolarHBondContact O-CB 3.28Å; I557-S561 PolarHBondContact O-N 2.83Å; I557-S561 PolarHBondContact O-OG 3.23Å; I557-P580 HydrophobicContact CG2-CG 4.48Å; I557-F581 HydrophobicContact CG2-CB 4.4Å; I557-F581 HydrophobicContact CG2-CD2 4.48Å; I557-C584 HydrophobicContact CD1-CB 3.86Å; I557-C584 HydrophobicContact CG1-CB 3.83Å
558I94.9Very high93Very high104 Ų10449.2 Ų49.253%0.53328%0.283SS..Hα-helixtrans-60.5-45.1176.1-66.4168.5000109.7I554 S555 M560 S561 I562I554-I558 HydrophobicContact CG2-CD1 3.83Å; I554-I558 HydrophobicContact CG2-CG1 4.41Å; I554-I558 WeakPolarHBondContact O-CG1 3.31Å; I554-I558 PolarHBondContact O-N 3.2Å; S555-I558 PolarHBondContact O-N 2.82Å; I558-M560 PolarHBondContact O-N 3.26Å; I558-S561 WeakPolarHBondContact O-CA 3.11Å; I558-S561 WeakPolarHBondContact O-CB 3.44Å; I558-S561 PolarHBondContact O-N 3.48Å; I558-S561 VanDerWaalsContact O-N 3.08Å; I558-I562 PolarHBondContact O-N 3.4Å
559L93.9Very high92Very high46 Ų4648.4 Ų48.424%0.24128%0.283CS..Hα-helixtrans-62.8-44.2-179.6-170.262.2000112.1F502 I514 S555 C556 I557 S561 I562 F563F502-L559 HydrophobicContact CE1-CD1 4.47Å; F502-L559 HydrophobicContact CE2-CD1 3.72Å; F502-L559 HydrophobicContact CZ-CD1 3.57Å; F502-L559 HydrophobicContact CZ-CD2 4.46Å; F502-L559 HydrophobicContact CZ-CG 4.5Å; I514-L559 HydrophobicContact CD1-CB 4.38Å; I514-L559 HydrophobicContact CD1-CD2 3.48Å; I514-L559 VanDerWaalsContact CD1-CD2 3.48Å; I514-L559 HydrophobicContact CD1-CG 3.57Å; I514-L559 HydrophobicContact CG1-CD2 3.75Å; I514-L559 HydrophobicContact CG1-CG 4.35Å; I514-L559 HydrophobicContact CG2-CD2 4.34Å; S555-L559 VanDerWaalsContact O-CB 3.24Å; S555-L559 WeakPolarHBondContact O-CB 3.46Å; S555-L559 PolarHBondContact O-N 3.19Å; C556-L559 PolarHBondContact O-N 3.41Å; I557-L559 VanDerWaalsContact C-N 3.31Å; I557-L559 PolarHBondContact O-N 2.88Å; L559-S561 VanDerWaalsContact C-N 3.26Å; L559-S561 PolarHBondContact O-N 3.45Å; L559-I562 HydrophobicContact CD1-CD1 4.15Å; L559-I562 WeakPolarHBondContact O-CB 3.14Å; L559-I562 PolarHBondContact O-N 3.01Å; L559-F563 VanDerWaalsContact O-CD2 3.26Å; L559-F563 WeakPolarHBondContact O-CD2 3.3Å; L559-F563 WeakPolarHBondContact O-CE2 3.44Å
560M94.3Very high91Very high0 Ų050.6 Ų50.60%029%0.291CS..Hα-helixtrans-63.8-31.9173.5-69.2-173.1-83.100112.3I439 Y443 V511 I514 M515 C556 I557 I558 I562 F563 P580 C584I439-M560 HydrophobicContact CG2-SD 4.43Å; Y443-M560 WeakPolarHBondContact CE1-O 3.13Å; Y443-M560 PolarHBondContact OH-O 3.42Å; Y443-M560 VanDerWaalsContact OH-O 3.07Å; V511-M560 HydrophobicContact CG1-CB 4.42Å; V511-M560 HydrophobicContact CG1-CG 4Å; V511-M560 HydrophobicContact CG1-SD 4.12Å; I514-M560 HydrophobicContact CB-CG 4.02Å; I514-M560 HydrophobicContact CG2-CE 4.37Å; I514-M560 HydrophobicContact CG2-CG 3.58Å; I514-M560 HydrophobicContact CG2-SD 4.21Å; M515-M560 HydrophobicContact CB-SD 4.24Å; C556-M560 WeakPolarHBondContact O-CG 3.42Å; C556-M560 PolarHBondContact O-N 2.86Å; I557-M560 PolarHBondContact O-N 2.83Å; I558-M560 PolarHBondContact O-N 3.26Å; M560-I562 PolarHBondContact O-N 3.16Å; M560-F563 PolarHBondContact O-N 3.24Å; M560-P580 HydrophobicContact CB-CB 4.25Å; M560-P580 HydrophobicContact CB-CG 3.64Å; M560-C584 WeakPolarHBondContact CE-SG 3.42Å
561S93.5Very high90.2Very high42 Ų4256.8 Ų56.829%0.29432%0.315SS..Hα-helixtrans-69.4-19.5179-590000113.6K487 I557 I558 L559 F563 P580K487-S561 PolarHBondContact NZ-O 3.4Å; I557-S561 WeakPolarHBondContact O-CB 3.28Å; I557-S561 PolarHBondContact O-N 2.83Å; I557-S561 PolarHBondContact O-OG 3.23Å; I558-S561 WeakPolarHBondContact O-CA 3.11Å; I558-S561 WeakPolarHBondContact O-CB 3.44Å; I558-S561 PolarHBondContact O-N 3.48Å; I558-S561 VanDerWaalsContact O-N 3.08Å; L559-S561 VanDerWaalsContact C-N 3.26Å; L559-S561 PolarHBondContact O-N 3.45Å; S561-F563 VanDerWaalsContact C-N 3.28Å; S561-F563 PolarHBondContact O-N 3.14Å; S561-P580 WeakPolarHBondContact OG-CD 3.38Å
562I92.7Very high89.5Confident24 Ų2456.2 Ų56.212%0.12331%0.314CS..THydrogen-bonded Turntrans-68.9-27.5175.2-69171.1000111.7V486 K487 Y490 I494 I558 L559 M560V486-I562 HydrophobicContact CG1-CG2 3.74Å; V486-I562 HydrophobicContact CG2-CG2 4.44Å; K487-I562 WeakPolarHBondContact CB-O 3.27Å; K487-I562 WeakPolarHBondContact CD-O 3.23Å; K487-I562 WeakPolarHBondContact CG-O 3.4Å; K487-I562 PolarHBondContact N-O 3.42Å; Y490-I562 HydrophobicContact CD1-CG1 4.36Å; Y490-I562 HydrophobicContact CD2-CB 4.34Å; Y490-I562 HydrophobicContact CD2-CG1 4.22Å; Y490-I562 HydrophobicContact CD2-CG2 4.08Å; Y490-I562 HydrophobicContact CG-CB 4.5Å; Y490-I562 HydrophobicContact CG-CG1 4.09Å; Y490-I562 HydrophobicContact CG-CG2 4.05Å; I494-I562 HydrophobicContact CD1-CG2 4.43Å; I558-I562 PolarHBondContact O-N 3.4Å; L559-I562 HydrophobicContact CD1-CD1 4.15Å; L559-I562 WeakPolarHBondContact O-CB 3.14Å; L559-I562 PolarHBondContact O-N 3.01Å; M560-I562 PolarHBondContact O-N 3.16Å
563F92.5Very high88.9Confident0 Ų052.6 Ų52.60%030%0.295CS..BIsolated β-bridgetrans-80.2146.1-179.1-66.8-98.2000111.7Y443 F485 V486 K487 F502 T510 V511 I514 L559 M560 S561Y443-F563 HydrophobicContact CD1-CB 3.85Å; Y443-F563 HydrophobicContact CE1-CB 3.73Å; F485-F563 WeakPolarHBondContact O-CA 3.43Å; V486-F563 HydrophobicContact CG2-CD1 4.3Å; V486-F563 HydrophobicContact CG2-CE1 3.86Å; V486-F563 HydrophobicContact CG2-CZ 4.11Å; K487-F563 VanDerWaalsContact CE-O 3.24Å; K487-F563 WeakPolarHBondContact CE-O 3.26Å; F502-F563 HydrophobicContact CB-CE1 4.16Å; F502-F563 HydrophobicContact CB-CZ 3.83Å; F502-F563 HydrophobicContact CD1-CZ 4.43Å; F502-F563 HydrophobicContact CD2-CZ 4.19Å; F502-F563 AromaticContact CG-CZ 3.92Å; F502-F563 HydrophobicContact CG-CZ 3.92Å; F502-F563 WeakPolarHBondContact O-CE1 3.3Å; T510-F563 HydrophobicContact CG2-CE1 4.39Å; T510-F563 HydrophobicContact CG2-CE2 4.49Å; T510-F563 HydrophobicContact CG2-CZ 3.74Å; V511-F563 HydrophobicContact CG2-CB 3.7Å; V511-F563 HydrophobicContact CG2-CD1 3.84Å; V511-F563 HydrophobicContact CG2-CD2 3.62Å; V511-F563 HydrophobicContact CG2-CE1 4.39Å; V511-F563 HydrophobicContact CG2-CE2 4.21Å; V511-F563 HydrophobicContact CG2-CG 3.43Å; V511-F563 VanDerWaalsContact CG2-CG 3.43Å; I514-F563 HydrophobicContact CD1-CE2 4Å; L559-F563 VanDerWaalsContact O-CD2 3.26Å; L559-F563 WeakPolarHBondContact O-CD2 3.3Å; L559-F563 WeakPolarHBondContact O-CE2 3.44Å; M560-F563 PolarHBondContact O-N 3.24Å; S561-F563 VanDerWaalsContact C-N 3.28Å; S561-F563 PolarHBondContact O-N 3.14Å
564K91.4Very high88.6Confident69 Ų6954.4 Ų54.430%0.330%0.303SS..PPolyproline II helixtrans-81.6130.9177.6-170174.7-172.7166.70110.4N481 G484 F485 K487N481-K564 WeakPolarHBondContact O-CD 3.45Å; N481-K564 WeakPolarHBondContact O-CE 3.21Å; N481-K564 PolarHBondContact O-NZ 3.47Å; N481-K564 WeakPolarHBondContact OD1-CD 3.38Å; N481-K564 PolarHBondContact OD1-NZ 3.42Å; G484-K564 PolarHBondContact N-O 3.24Å; F485-K564 PolarHBondContact O-N 3.29Å; K487-K564 HydrophobicContact CG-CB 3.99Å
565Q92.1Very high88.3Confident51 Ų5152.6 Ų52.624%0.23829%0.292CS..PPolyproline II helixtrans-81.2153.2180-66.917122.800112.3R442 Y443 V579R442-Q565 HydrophobicContact CB-CG 4.43Å; R442-Q565 CarbonylContact O-C 3.56Å; R442-Q565 WeakPolarHBondContact O-CA 3.22Å; R442-Q565 WeakPolarHBondContact O-CB 3.46Å; Y443-Q565 HydrophobicContact CD1-CG 4.18Å; Y443-Q565 HydrophobicContact CE1-CG 3.63Å; Y443-Q565 HydrophobicContact CE2-CG 4Å; Y443-Q565 PolarHBondContact OH-NE2 2.87Å; Y443-Q565 VanDerWaalsContact OH-NE2 3.14Å; Q565-V579 PolarHBondContact NE2-O 3.49Å
566F88.1Confident88.2Confident46 Ų4649.8 Ų49.820%0.20227%0.272CS..PPolyproline II helixtrans-71.6134.3163.7-73.7-94000110R442 Y443 K445 P483 P507R442-F566 PolarHBondContact O-N 3.32Å; Y443-F566 VanDerWaalsContact O-CE2 3.25Å; Y443-F566 WeakPolarHBondContact O-CE2 3.31Å; K445-F566 HydrophobicContact CB-CE1 4.13Å; K445-F566 HydrophobicContact CB-CZ 3.9Å; K445-F566 HydrophobicContact CG-CE1 4.3Å; P483-F566 HydrophobicContact CB-CD1 3.63Å; P483-F566 HydrophobicContact CB-CD2 3.91Å; P483-F566 HydrophobicContact CB-CE1 3.56Å; P483-F566 HydrophobicContact CB-CE2 3.82Å; P483-F566 HydrophobicContact CB-CG 3.81Å; P483-F566 HydrophobicContact CB-CZ 3.66Å; P483-F566 HydrophobicContact CG-CD1 4.45Å; P483-F566 HydrophobicContact CG-CE1 4.43Å; P507-F566 HydrophobicContact CB-CE2 4.41Å; P507-F566 HydrophobicContact CB-CZ 4.04Å
567G80.9Confident87.9Confident48 Ų4852.3 Ų52.350%0.49529%0.288SS..  trans-67175.417400000112.7
568P82.3Confident87.8Confident49 Ų4959.9 Ų59.932%0.31832%0.316SS..  trans-68.2149.5170.929.6-26.9000109.1Y570 L573 Q575P568-Y570 WeakPolarHBondContact CB-O 3.32Å; P568-Y570 PolarHBondContact O-N 3.32Å; P568-L573 HydrophobicContact CB-CB 4.09Å; P568-Q575 HydrophobicContact CB-CG 4.27Å; P568-Q575 VanDerWaalsContact CB-NE2 3.33Å; P568-Q575 HydrophobicContact CG-CG 4.49Å
569P74Confident87.7Confident85 Ų8555.5 Ų55.555%0.55229%0.294SS*.SBendtrans-61.3-25.5177.323.6-33.1000112.9
570Y74.2Confident87.8Confident61 Ų6153.4 Ų53.424%0.23928%0.284CS..SBendtrans-150.6159.4177.641.5-90.3000111.5M33 C102 P568 L573M33-Y570 HydrophobicContact CB-CE1 4.39Å; M33-Y570 HydrophobicContact CE-CE2 3.64Å; M33-Y570 WeakPolarHBondContact CE-OH 3.11Å; M33-Y570 HydrophobicContact CG-CE1 4.43Å; M33-Y570 HydrophobicContact SD-CD1 4.41Å; M33-Y570 HydrophobicContact SD-CD2 3.86Å; M33-Y570 HydrophobicContact SD-CE1 3.86Å; M33-Y570 HydrophobicContact SD-CE2 3.14Å; M33-Y570 WeakPolarHBondContact SD-CE2 3.29Å; M33-Y570 HydrophobicContact SD-CG 4.43Å; M33-Y570 PolarHBondContact SD-OH 3.03Å; M33-Y570 VanDerWaalsContact SD-OH 3.42Å; C102-Y570 PolarHBondContact O-OH 2.98Å; P568-Y570 WeakPolarHBondContact CB-O 3.32Å; P568-Y570 PolarHBondContact O-N 3.32Å; Y570-L573 HydrophobicContact CD2-CB 4.5Å; Y570-L573 HydrophobicContact CD2-CD1 3.98Å; Y570-L573 HydrophobicContact CE2-CB 4.36Å; Y570-L573 HydrophobicContact CE2-CD1 3.08Å; Y570-L573 HydrophobicContact CE2-CG 4.25Å; Y570-L573 VanDerWaalsContact CZ-CD1 3.45Å; Y570-L573 VanDerWaalsContact OH-CD1 3.31Å; Y570-L573 WeakPolarHBondContact OH-CD1 3.09Å
571K77.8Confident87.8Confident210 Ų21059.1 Ų59.191%0.91331%0.309SS*.THydrogen-bonded Turntrans-68.6145.9-177.1-69.7-175.9178.7178.70111.6L573K571-L573 VanDerWaalsContact C-N 3.34Å
572G80Confident87.9Confident42 Ų4258 Ų5843%0.43330%0.299SS..THydrogen-bonded Turntrans83.73.7176.700000115
573L85.1Confident88.1Confident15 Ų1556.8 Ų56.88%0.07929%0.293CS..  trans-72.9139.2172.7-152.785.3000111.4C102 R103 P568 Y570 K571 Q575C102-L573 HydrophobicContact CB-CD1 3.98Å; C102-L573 HydrophobicContact CB-CD2 4.27Å; C102-L573 HydrophobicContact CB-CG 3.94Å; C102-L573 WeakPolarHBondContact O-CD1 3.07Å; R103-L573 HydrophobicContact CB-CD2 4.1Å; R103-L573 HydrophobicContact CG-CD2 3.2Å; P568-L573 HydrophobicContact CB-CB 4.09Å; Y570-L573 HydrophobicContact CD2-CB 4.5Å; Y570-L573 HydrophobicContact CD2-CD1 3.98Å; Y570-L573 HydrophobicContact CE2-CB 4.36Å; Y570-L573 HydrophobicContact CE2-CD1 3.08Å; Y570-L573 HydrophobicContact CE2-CG 4.25Å; Y570-L573 VanDerWaalsContact CZ-CD1 3.45Å; Y570-L573 VanDerWaalsContact OH-CD1 3.31Å; Y570-L573 WeakPolarHBondContact OH-CD1 3.09Å; K571-L573 VanDerWaalsContact C-N 3.34Å; L573-Q575 PolarHBondContact O-N 3.44Å
574F89.2Confident88.3Confident47 Ų4756.8 Ų56.821%0.20629%0.293CS..  trans-60.1136.3168.8178-102.5000111L95 E99 C102 P290L95-F574 HydrophobicContact CD2-CZ 4.2Å; E99-F574 HydrophobicContact CB-CD1 4.11Å; E99-F574 HydrophobicContact CB-CE1 4.32Å; C102-F574 HydrophobicContact CB-CB 4.45Å; P290-F574 HydrophobicContact CB-CB 4.41Å; P290-F574 HydrophobicContact CB-CD1 4.13Å; P290-F574 HydrophobicContact CB-CD2 3.94Å; P290-F574 HydrophobicContact CB-CE1 4.41Å; P290-F574 HydrophobicContact CB-CE2 4.23Å; P290-F574 HydrophobicContact CB-CG 3.88Å; P290-F574 HydrophobicContact CB-CZ 4.46Å; P290-F574 HydrophobicContact CG-CB 3.56Å; P290-F574 HydrophobicContact CG-CD1 3.89Å; P290-F574 HydrophobicContact CG-CD2 4.01Å; P290-F574 HydrophobicContact CG-CG 3.53Å
575Q90.2Very high88.5Confident63 Ų6354.6 Ų54.629%0.29429%0.288SS..  trans-133.4123.1-178.1-77.9-149.4-39.200108.4R442 P568 L573 P577R442-Q575 VanDerWaalsContact NH1-CD 3.31Å; R442-Q575 VanDerWaalsContact NH1-NE2 3.13Å; R442-Q575 VanDerWaalsContact NH2-CA 3.32Å; P568-Q575 HydrophobicContact CB-CG 4.27Å; P568-Q575 VanDerWaalsContact CB-NE2 3.33Å; P568-Q575 HydrophobicContact CG-CG 4.49Å; L573-Q575 PolarHBondContact O-N 3.44Å; Q575-P577 WeakPolarHBondContact O-CD 3.31Å
576L92.5Very high88.6Confident5 Ų552.2 Ų52.23%0.02628%0.277CS..  trans-58122.7173.3-171.767.3000109.5L95 N96 E99 I438 R442 V579 I582 P583L95-L576 HydrophobicContact CB-CD1 3.48Å; L95-L576 VanDerWaalsContact CB-CD1 3.48Å; L95-L576 HydrophobicContact CG-CD1 4.5Å; N96-L576 WeakPolarHBondContact OD1-CD2 3.3Å; E99-L576 WeakPolarHBondContact OE2-CB 3.36Å; E99-L576 PolarHBondContact OE2-N 3.47Å; I438-L576 HydrophobicContact CG2-CD2 4.12Å; R442-L576 PolarHBondContact NH2-O 3.18Å; L576-V579 HydrophobicContact CB-CG2 4.01Å; L576-V579 HydrophobicContact CD2-CG2 3.97Å; L576-V579 HydrophobicContact CG-CG2 4.15Å; L576-I582 HydrophobicContact CD1-CD1 4.12Å; L576-I582 HydrophobicContact CD1-CG2 4.06Å; L576-I582 HydrophobicContact CD2-CB 4.11Å; L576-I582 HydrophobicContact CD2-CG2 3.89Å; L576-I582 HydrophobicContact CG-CB 4.37Å; L576-I582 HydrophobicContact CG-CD1 4.35Å; L576-I582 HydrophobicContact CG-CG2 4.27Å; L576-P583 HydrophobicContact CD2-CG 3.84Å
577P91.2Very high89Confident66 Ų6650.2 Ų50.243%0.42927%0.268SS..THydrogen-bonded Turntrans-70.4162.4173.429.9-35.6000110.8Q575 V579 I582Q575-P577 WeakPolarHBondContact O-CD 3.31Å; P577-V579 PolarHBondContact O-N 3.48Å; P577-V579 VanDerWaalsContact O-N 3.13Å; P577-I582 HydrophobicContact CG-CD1 4.32Å; P577-I582 VanDerWaalsContact O-CD1 3.23Å; P577-I582 WeakPolarHBondContact O-CD1 3.38Å
578Y92.4Very high89.7Confident184 Ų18449.6 Ų49.672%0.72226%0.255SS*.THydrogen-bonded Turntrans54.831.8174-50.2-68.1000115.5P580 F581 I582Y578-P580 CarbonylContact O-C 3.52Å; Y578-F581 WeakPolarHBondContact O-CA 3.39Å; Y578-F581 VanDerWaalsContact O-CB 3.27Å; Y578-F581 WeakPolarHBondContact O-CB 3.29Å; Y578-F581 PolarHBondContact O-N 3.43Å; Y578-I582 HydrophobicContact CD2-CD1 4.4Å; Y578-I582 PolarHBondContact O-N 3.17Å
579V93.7Very high90.2Very high13 Ų1349.4 Ų49.48%0.07925%0.25CS..THydrogen-bonded Turntrans-66.2132.3164.1176.50000108I438 R442 Y443 Q565 L576 P577 P583I438-V579 HydrophobicContact CG2-CG2 4.18Å; R442-V579 HydrophobicContact CB-CG1 4.01Å; R442-V579 HydrophobicContact CG-CG1 4Å; R442-V579 HydrophobicContact CG-CG2 4.48Å; Y443-V579 HydrophobicContact CE2-CG1 3.91Å; Q565-V579 PolarHBondContact NE2-O 3.49Å; L576-V579 HydrophobicContact CB-CG2 4.01Å; L576-V579 HydrophobicContact CD2-CG2 3.97Å; L576-V579 HydrophobicContact CG-CG2 4.15Å; P577-V579 PolarHBondContact O-N 3.48Å; P577-V579 VanDerWaalsContact O-N 3.13Å; V579-P583 HydrophobicContact CG2-CG 4.21Å
580P95Very high91.2Very high2 Ų245.3 Ų45.31%0.01322%0.224CC..THydrogen-bonded Turncis-96.11.211.735.8-29000115.1Y443 I557 M560 S561 Y578 I582 P583 C584Y443-P580 HydrophobicContact CE2-CB 4.19Å; Y443-P580 WeakPolarHBondContact OH-CD 3.22Å; I557-P580 HydrophobicContact CG2-CG 4.48Å; M560-P580 HydrophobicContact CB-CB 4.25Å; M560-P580 HydrophobicContact CB-CG 3.64Å; S561-P580 WeakPolarHBondContact OG-CD 3.38Å; Y578-P580 CarbonylContact O-C 3.52Å; P580-I582 PolarHBondContact O-N 3.48Å; P580-P583 WeakPolarHBondContact O-CD 3.14Å; P580-C584 VanDerWaalsContact O-CB 3.29Å; P580-C584 WeakPolarHBondContact O-CB 3.35Å; P580-C584 PolarHBondContact O-N 3.45Å; P580-C584 PolarHBondContact O-SG 3.22Å
581F95.4Very high92.1Very high120 Ų12044 Ų4453%0.52622%0.222SC..Hα-helixtrans-57.4-51.4-176.6175.9-97.4000113.1I557 Y578 C584 A585I557-F581 HydrophobicContact CG2-CB 4.4Å; I557-F581 HydrophobicContact CG2-CD2 4.48Å; Y578-F581 WeakPolarHBondContact O-CA 3.39Å; Y578-F581 VanDerWaalsContact O-CB 3.27Å; Y578-F581 WeakPolarHBondContact O-CB 3.29Å; Y578-F581 PolarHBondContact O-N 3.43Å; F581-C584 PolarHBondContact O-N 3.22Å; F581-A585 WeakPolarHBondContact O-CB 3.45Å; F581-A585 PolarHBondContact O-N 2.64Å
582I95.4Very high92.7Very high17 Ų1737.1 Ų37.19%0.08719%0.192CC..Hα-helixtrans-60.1-53.9-179-66.6-178.6000111.7L92 L576 P577 Y578 P580 C584 A585 T586L92-I582 HydrophobicContact CD2-CG2 4.1Å; L576-I582 HydrophobicContact CD1-CD1 4.12Å; L576-I582 HydrophobicContact CD1-CG2 4.06Å; L576-I582 HydrophobicContact CD2-CB 4.11Å; L576-I582 HydrophobicContact CD2-CG2 3.89Å; L576-I582 HydrophobicContact CG-CB 4.37Å; L576-I582 HydrophobicContact CG-CD1 4.35Å; L576-I582 HydrophobicContact CG-CG2 4.27Å; P577-I582 HydrophobicContact CG-CD1 4.32Å; P577-I582 VanDerWaalsContact O-CD1 3.23Å; P577-I582 WeakPolarHBondContact O-CD1 3.38Å; Y578-I582 HydrophobicContact CD2-CD1 4.4Å; Y578-I582 PolarHBondContact O-N 3.17Å; P580-I582 PolarHBondContact O-N 3.48Å; I582-C584 VanDerWaalsContact C-N 3.29Å; I582-C584 PolarHBondContact O-N 3.36Å; I582-A585 PolarHBondContact O-N 2.87Å; I582-T586 WeakPolarHBondContact O-CB 3.38Å; I582-T586 PolarHBondContact O-N 3.04Å; I582-T586 PolarHBondContact O-OG1 3.43Å
583P96.3Very high93.2Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-57.4-38.9176.9-24.831.5000113.8N96 A435 I438 I439 L576 V579 P580 T586 L587N96-P583 WeakPolarHBondContact OD1-CG 3.06Å; A435-P583 HydrophobicContact CB-CB 4.29Å; I438-P583 HydrophobicContact CB-CG 4.34Å; I438-P583 HydrophobicContact CG2-CB 4.44Å; I438-P583 HydrophobicContact CG2-CG 3.59Å; I439-P583 HydrophobicContact CD1-CB 3.95Å; I439-P583 HydrophobicContact CG1-CB 3.72Å; I439-P583 HydrophobicContact CG1-CG 4.26Å; L576-P583 HydrophobicContact CD2-CG 3.84Å; V579-P583 HydrophobicContact CG2-CG 4.21Å; P580-P583 WeakPolarHBondContact O-CD 3.14Å; P583-T586 WeakPolarHBondContact O-CB 3.36Å; P583-T586 PolarHBondContact O-N 3.26Å; P583-L587 WeakPolarHBondContact O-CB 3.42Å; P583-L587 PolarHBondContact O-N 3.16Å
584C96.7Very high93.4Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-67.2-43.4178.2-68.80000112Y518 I557 M560 P580 F581 I582 L587 T588Y518-C584 HydrophobicContact CE1-CB 3.97Å; Y518-C584 HydrophobicContact CE2-CB 4.24Å; Y518-C584 PolarHBondContact OH-O 3.26Å; I557-C584 HydrophobicContact CD1-CB 3.86Å; I557-C584 HydrophobicContact CG1-CB 3.83Å; M560-C584 WeakPolarHBondContact CE-SG 3.42Å; P580-C584 VanDerWaalsContact O-CB 3.29Å; P580-C584 WeakPolarHBondContact O-CB 3.35Å; P580-C584 PolarHBondContact O-N 3.45Å; P580-C584 PolarHBondContact O-SG 3.22Å; F581-C584 PolarHBondContact O-N 3.22Å; I582-C584 VanDerWaalsContact C-N 3.29Å; I582-C584 PolarHBondContact O-N 3.36Å; C584-L587 PolarHBondContact O-N 3.2Å; C584-T588 PolarHBondContact O-N 3.47Å; C584-T588 PolarHBondContact O-OG1 2.96Å
585A95.1Very high93.3Very high23 Ų2334.2 Ų34.219%0.1917%0.171CC..Hα-helixtrans-62.4-44.4175.100000111F581 I582 L587 T588 I589F581-A585 WeakPolarHBondContact O-CB 3.45Å; F581-A585 PolarHBondContact O-N 2.64Å; I582-A585 PolarHBondContact O-N 2.87Å; A585-L587 PolarHBondContact O-N 3.28Å; A585-T588 PolarHBondContact O-N 3.32Å; A585-I589 WeakPolarHBondContact O-CB 3.32Å; A585-I589 WeakPolarHBondContact O-CD1 3.46Å; A585-I589 VanDerWaalsContact O-CG1 3.22Å; A585-I589 WeakPolarHBondContact O-CG1 3.32Å; A585-I589 PolarHBondContact O-N 2.95Å
586T96Very high93.1Very high1 Ų133.7 Ų33.71%0.00617%0.169CC..Hα-helixtrans-55.9-49.4173.6-590000111.7N93 N96 A435 I582 P583 T588 I589 N590N93-T586 WeakPolarHBondContact OD1-CG2 3.46Å; N96-T586 PolarHBondContact ND2-OG1 3.24Å; A435-T586 HydrophobicContact CB-CG2 4.24Å; I582-T586 WeakPolarHBondContact O-CB 3.38Å; I582-T586 PolarHBondContact O-N 3.04Å; I582-T586 PolarHBondContact O-OG1 3.43Å; P583-T586 WeakPolarHBondContact O-CB 3.36Å; P583-T586 PolarHBondContact O-N 3.26Å; T586-T588 PolarHBondContact O-N 3.04Å; T586-I589 PolarHBondContact O-N 3Å; T586-N590 WeakPolarHBondContact O-CB 3.35Å; T586-N590 PolarHBondContact O-N 3.45Å; T586-N590 PolarHBondContact O-OD1 3.5Å
587L95.4Very high92.7Very high4 Ų434.1 Ų34.12%0.02117%0.171CC..Hα-helixtrans-59.8-47.1179.2-17867.8000111.4I436 Y518 I519 P583 C584 A585 I589 N590 V591I436-L587 HydrophobicContact CD1-CD1 4.27Å; I436-L587 HydrophobicContact CG1-CD1 4.32Å; Y518-L587 HydrophobicContact CD1-CD2 3.69Å; Y518-L587 HydrophobicContact CE1-CB 4.48Å; Y518-L587 HydrophobicContact CE1-CD2 3.84Å; Y518-L587 HydrophobicContact CE1-CG 4.46Å; I519-L587 HydrophobicContact CD1-CD2 4.48Å; I519-L587 HydrophobicContact CG1-CD2 3.56Å; P583-L587 WeakPolarHBondContact O-CB 3.42Å; P583-L587 PolarHBondContact O-N 3.16Å; C584-L587 PolarHBondContact O-N 3.2Å; A585-L587 PolarHBondContact O-N 3.28Å; L587-I589 PolarHBondContact O-N 3.4Å; L587-N590 PolarHBondContact O-N 2.85Å; L587-V591 HydrophobicContact CD1-CG2 4.19Å; L587-V591 HydrophobicContact CG-CG2 4.48Å; L587-V591 VanDerWaalsContact O-CB 3.31Å; L587-V591 WeakPolarHBondContact O-CB 3.41Å; L587-V591 WeakPolarHBondContact O-CG2 3.12Å; L587-V591 PolarHBondContact O-N 3.42Å
588T95.4Very high92.3Very high35 Ų3532.6 Ų32.622%0.21516%0.162CC..Hα-helixtrans-61.9-45178.2-66.50000112.5Y518 N522 C584 A585 T586 F592Y518-T588 PolarHBondContact OH-OG1 3.35Å; N522-T588 WeakPolarHBondContact OD1-CA 3Å; N522-T588 VanDerWaalsContact OD1-CB 3.28Å; N522-T588 WeakPolarHBondContact OD1-CB 3.39Å; N522-T588 WeakPolarHBondContact OD1-CG2 3.33Å; N522-T588 PolarHBondContact OD1-OG1 2.89Å; C584-T588 PolarHBondContact O-N 3.47Å; C584-T588 PolarHBondContact O-OG1 2.96Å; A585-T588 PolarHBondContact O-N 3.32Å; T586-T588 PolarHBondContact O-N 3.04Å; T588-F592 VanDerWaalsContact O-CB 3.31Å; T588-F592 WeakPolarHBondContact O-CB 3.45Å; T588-F592 PolarHBondContact O-N 3.21Å
589I94.2Very high91.9Very high44 Ų4432.8 Ų32.823%0.22616%0.161CC..Hα-helixtrans-65.3-45.5179.4-68165.8000110.7F88 V89 L92 A585 T586 L587 V591 F592 L593F88-I589 HydrophobicContact CE1-CD1 4.18Å; V89-I589 HydrophobicContact CB-CG2 4.14Å; V89-I589 HydrophobicContact CG1-CG2 3.71Å; V89-I589 HydrophobicContact CG2-CG2 3.41Å; V89-I589 VanDerWaalsContact CG2-CG2 3.41Å; L92-I589 HydrophobicContact CD1-CD1 3.67Å; A585-I589 WeakPolarHBondContact O-CB 3.32Å; A585-I589 WeakPolarHBondContact O-CD1 3.46Å; A585-I589 VanDerWaalsContact O-CG1 3.22Å; A585-I589 WeakPolarHBondContact O-CG1 3.32Å; A585-I589 PolarHBondContact O-N 2.95Å; T586-I589 PolarHBondContact O-N 3Å; L587-I589 PolarHBondContact O-N 3.4Å; I589-V591 PolarHBondContact O-N 3.23Å; I589-F592 PolarHBondContact O-N 2.9Å; I589-L593 HydrophobicContact CG2-CD1 4.37Å; I589-L593 HydrophobicContact CG2-CG 4.48Å; I589-L593 WeakPolarHBondContact O-CG 3.42Å; I589-L593 PolarHBondContact O-N 2.8Å
590N93.7Very high91.5Very high0 Ų033.6 Ų33.60%017%0.167CC..Hα-helixtrans-61.8-46.4179-71.5-7.8000110.9N93 L428 S432 T586 L587 F592 L593 I594N93-N590 PolarHBondContact ND2-OD1 3.13Å; N93-N590 PolarHBondContact OD1-ND2 3.16Å; N93-N590 PolarHBondContact OD1-OD1 3.02Å; L428-N590 HydrophobicContact CD2-CB 4.22Å; S432-N590 VanDerWaalsContact OG-CB 3.29Å; S432-N590 WeakPolarHBondContact OG-CB 3.12Å; T586-N590 WeakPolarHBondContact O-CB 3.35Å; T586-N590 PolarHBondContact O-N 3.45Å; T586-N590 PolarHBondContact O-OD1 3.5Å; L587-N590 PolarHBondContact O-N 2.85Å; N590-F592 VanDerWaalsContact C-N 3.3Å; N590-F592 PolarHBondContact O-N 2.73Å; N590-L593 PolarHBondContact O-N 3.31Å; N590-I594 WeakPolarHBondContact O-CB 3.44Å; N590-I594 WeakPolarHBondContact O-CD1 3.33Å; N590-I594 WeakPolarHBondContact O-CG1 3.45Å; N590-I594 PolarHBondContact O-N 2.86Å
591V92.5Very high91.1Very high33 Ų3333.5 Ų33.520%0.217%0.166CC..Hα-helixtrans-62.8-39.4179.31750000110.3N522 I526 L587 I589 I594 S595N522-V591 HydrophobicContact CB-CG1 4.13Å; I526-V591 HydrophobicContact CD1-CB 4.06Å; I526-V591 HydrophobicContact CD1-CG1 3.14Å; I526-V591 WeakPolarHBondContact CD1-O 3.49Å; I526-V591 HydrophobicContact CG1-CG1 4.41Å; L587-V591 HydrophobicContact CD1-CG2 4.19Å; L587-V591 HydrophobicContact CG-CG2 4.48Å; L587-V591 VanDerWaalsContact O-CB 3.31Å; L587-V591 WeakPolarHBondContact O-CB 3.41Å; L587-V591 WeakPolarHBondContact O-CG2 3.12Å; L587-V591 PolarHBondContact O-N 3.42Å; I589-V591 PolarHBondContact O-N 3.23Å; V591-I594 PolarHBondContact O-N 3.25Å; V591-S595 PolarHBondContact O-N 3.47Å
592F91.1Very high90.8Very high66 Ų6633.1 Ų33.129%0.28916%0.161SC..Hα-helixtrans-63.9-47.2173.7-177.4-109.7000113I259 L529 T588 I589 N590 I594 S595I259-F592 HydrophobicContact CD1-CE1 4.13Å; I259-F592 HydrophobicContact CD1-CZ 4.06Å; I259-F592 HydrophobicContact CG2-CD1 4.24Å; I259-F592 HydrophobicContact CG2-CE1 3.35Å; I259-F592 HydrophobicContact CG2-CZ 3.88Å; L529-F592 HydrophobicContact CD1-CD2 4.46Å; L529-F592 HydrophobicContact CD1-CE2 4.23Å; T588-F592 VanDerWaalsContact O-CB 3.31Å; T588-F592 WeakPolarHBondContact O-CB 3.45Å; T588-F592 PolarHBondContact O-N 3.21Å; I589-F592 PolarHBondContact O-N 2.9Å; N590-F592 VanDerWaalsContact C-N 3.3Å; N590-F592 PolarHBondContact O-N 2.73Å; F592-I594 VanDerWaalsContact C-N 3.32Å; F592-I594 PolarHBondContact O-N 2.91Å; F592-S595 WeakPolarHBondContact O-CB 3.44Å; F592-S595 PolarHBondContact O-N 3.03Å; F592-S595 VanDerWaalsContact O-N 3.07Å; F592-S595 PolarHBondContact O-OG 3.17Å
593L89.9Confident90.6Very high6 Ų636 Ų363%0.03118%0.176CC..Hα-helixtrans-62.5-38.7176.7-70.5-177.7000112.5V89 T262 A263 L428 I589 N590 S595 E596V89-L593 HydrophobicContact CB-CD1 4.42Å; V89-L593 HydrophobicContact CG1-CD1 3.9Å; V89-L593 HydrophobicContact CG2-CD1 4.07Å; T262-L593 HydrophobicContact CG2-CD2 4.2Å; A263-L593 HydrophobicContact CB-CB 4.25Å; A263-L593 HydrophobicContact CB-CD2 4.05Å; L428-L593 HydrophobicContact CD1-CB 3.79Å; L428-L593 HydrophobicContact CD2-CD1 4.36Å; I589-L593 HydrophobicContact CG2-CD1 4.37Å; I589-L593 HydrophobicContact CG2-CG 4.48Å; I589-L593 WeakPolarHBondContact O-CG 3.42Å; I589-L593 PolarHBondContact O-N 2.8Å; N590-L593 PolarHBondContact O-N 3.31Å; L593-S595 PolarHBondContact O-N 3.02Å; L593-E596 PolarHBondContact O-N 3.44Å
594I89.6Confident90.2Very high10 Ų1037.3 Ų37.35%0.05118%0.181CC..Hα-helixtrans-58.6-34.6174.8-71.9163.7000110.9L428 I429 N590 V591 F592 E596 L597 W602L428-I594 HydrophobicContact CB-CD1 3.68Å; L428-I594 HydrophobicContact CB-CG1 3.53Å; L428-I594 HydrophobicContact CD1-CG1 3.87Å; L428-I594 HydrophobicContact CG-CG1 4.36Å; I429-I594 HydrophobicContact CG1-CD1 3.84Å; N590-I594 WeakPolarHBondContact O-CB 3.44Å; N590-I594 WeakPolarHBondContact O-CD1 3.33Å; N590-I594 WeakPolarHBondContact O-CG1 3.45Å; N590-I594 PolarHBondContact O-N 2.86Å; V591-I594 PolarHBondContact O-N 3.25Å; F592-I594 VanDerWaalsContact C-N 3.32Å; F592-I594 PolarHBondContact O-N 2.91Å; I594-E596 VanDerWaalsContact C-N 3.28Å; I594-E596 PolarHBondContact O-N 3.5Å; I594-L597 WeakPolarHBondContact O-CB 3.48Å; I594-L597 PolarHBondContact O-N 3.31Å; I594-W602 HydrophobicContact CG2-CH2 3.79Å; I594-W602 HydrophobicContact CG2-CZ2 3.32Å
595S87.7Confident89.9Confident27 Ų2738.1 Ų38.119%0.18918%0.184CC..Hα-helixtrans-71.9-19.1-179.4760000115V591 F592 L593 L597V591-S595 PolarHBondContact O-N 3.47Å; F592-S595 WeakPolarHBondContact O-CB 3.44Å; F592-S595 PolarHBondContact O-N 3.03Å; F592-S595 VanDerWaalsContact O-N 3.07Å; F592-S595 PolarHBondContact O-OG 3.17Å; L593-S595 PolarHBondContact O-N 3.02Å; S595-L597 VanDerWaalsContact C-N 3.35Å
596E85.7Confident89.7Confident52 Ų5240.5 Ų40.524%0.24320%0.196CC..THydrogen-bonded Turntrans-87.5-7.1177-67.5-66.615300112.8I259 L593 I594I259-E596 HydrophobicContact CG2-CG 3.96Å; L593-E596 PolarHBondContact O-N 3.44Å; I594-E596 VanDerWaalsContact C-N 3.28Å; I594-E596 PolarHBondContact O-N 3.5Å
597L83.8Confident89.5Confident13 Ų1345 Ų457%0.06822%0.22CC..SBendtrans-75.1153.1175.3-61.1175.6000111.4A263 L425 I594 S595 T601A263-L597 HydrophobicContact CB-CD2 4.16Å; L425-L597 HydrophobicContact CB-CD1 3.58Å; L425-L597 HydrophobicContact CD1-CD1 4.44Å; L425-L597 HydrophobicContact CG-CD1 4.21Å; I594-L597 WeakPolarHBondContact O-CB 3.48Å; I594-L597 PolarHBondContact O-N 3.31Å; S595-L597 VanDerWaalsContact C-N 3.35Å; L597-T601 HydrophobicContact CB-CG2 4.48Å
598S82.9Confident89.4Confident35 Ų3546.1 Ų46.125%0.24522%0.224CC..  trans-64.6150.9-175.285.30000113V600 T601 W602S598-V600 PolarHBondContact O-N 2.96Å; S598-V600 PolarHBondContact OG-N 3.31Å; S598-T601 WeakPolarHBondContact O-CB 3.37Å; S598-T601 PolarHBondContact O-N 3.43Å; S598-T601 PolarHBondContact O-OG1 3.03Å; S598-T601 PolarHBondContact OG-N 2.76Å; S598-T601 VanDerWaalsContact OG-N 3.14Å; S598-T601 PolarHBondContact OG-OG1 2.96Å; S598-W602 PolarHBondContact O-N 3.35Å
599W84.5Confident89.3Confident187 Ų18745.9 Ų45.971%0.70822%0.22SC*.Hα-helixtrans-59.8-30.8173.874.8-84.9000112.5T601 W602 I603W599-T601 VanDerWaalsContact C-N 3.26Å; W599-T601 PolarHBondContact O-N 3.43Å; W599-W602 WeakPolarHBondContact O-CB 3.12Å; W599-W602 PolarHBondContact O-N 2.78Å; W599-I603 HydrophobicContact CE3-CD1 3.35Å; W599-I603 HydrophobicContact CE3-CG1 4.16Å; W599-I603 HydrophobicContact CH2-CD1 4.23Å; W599-I603 HydrophobicContact CZ3-CD1 3.1Å; W599-I603 HydrophobicContact CZ3-CG1 4.32Å; W599-I603 PolarHBondContact O-N 2.6Å; W599-I603 VanDerWaalsContact O-N 3.16Å
600V85.9Confident89.4Confident31 Ų3147.1 Ų47.119%0.18823%0.23CC..Hα-helixtrans-63.4-38.1176.2-174.20000110.1V174 S598 W602 I603 R604V174-V600 HydrophobicContact CG2-CG1 4.01Å; V174-V600 HydrophobicContact CG2-CG2 4.43Å; S598-V600 PolarHBondContact O-N 2.96Å; S598-V600 PolarHBondContact OG-N 3.31Å; V600-W602 VanDerWaalsContact C-N 3.33Å; V600-W602 PolarHBondContact O-N 3.21Å; V600-I603 PolarHBondContact O-N 3.23Å; V600-R604 WeakPolarHBondContact O-CG 3.44Å; V600-R604 PolarHBondContact O-N 3.39Å
601T86.1Confident89.4Confident0 Ų050.8 Ų50.80%025%0.249CC..Hα-helixtrans-58.8-45.7175.5-54.50000111.5D421 L425 L597 S598 W599 I603 R604 F605D421-T601 VanDerWaalsContact O-CG2 3.23Å; D421-T601 WeakPolarHBondContact O-CG2 3.28Å; L425-T601 HydrophobicContact CB-CG2 3.71Å; L425-T601 HydrophobicContact CD1-CG2 3.71Å; L425-T601 HydrophobicContact CG-CG2 4.33Å; L597-T601 HydrophobicContact CB-CG2 4.48Å; S598-T601 WeakPolarHBondContact O-CB 3.37Å; S598-T601 PolarHBondContact O-N 3.43Å; S598-T601 PolarHBondContact O-OG1 3.03Å; S598-T601 PolarHBondContact OG-N 2.76Å; S598-T601 VanDerWaalsContact OG-N 3.14Å; S598-T601 PolarHBondContact OG-OG1 2.96Å; W599-T601 VanDerWaalsContact C-N 3.26Å; W599-T601 PolarHBondContact O-N 3.43Å; T601-I603 VanDerWaalsContact C-N 3.33Å; T601-I603 PolarHBondContact O-N 3.41Å; T601-R604 PolarHBondContact O-N 3.47Å; T601-F605 PolarHBondContact O-N 3.22Å
602W89.1Confident89.4Confident112 Ų11249.2 Ų49.242%0.42424%0.239SC..Hα-helixtrans-60.5-40.6176.5-79.394.4000112.8L425 I594 S598 W599 V600 T606L425-W602 HydrophobicContact CD1-CD2 3.88Å; L425-W602 HydrophobicContact CD1-CE3 4.28Å; L425-W602 HydrophobicContact CD1-CG 4.03Å; I594-W602 HydrophobicContact CG2-CH2 3.79Å; I594-W602 HydrophobicContact CG2-CZ2 3.32Å; S598-W602 PolarHBondContact O-N 3.35Å; W599-W602 WeakPolarHBondContact O-CB 3.12Å; W599-W602 PolarHBondContact O-N 2.78Å; V600-W602 VanDerWaalsContact C-N 3.33Å; V600-W602 PolarHBondContact O-N 3.21Å; W602-T606 VanDerWaalsContact O-CB 3.3Å; W602-T606 WeakPolarHBondContact O-CB 3.08Å; W602-T606 PolarHBondContact O-N 2.85Å; W602-T606 PolarHBondContact O-OG1 3.47Å
603I90.7Very high89.6Confident78 Ų7848.4 Ų48.440%0.424%0.238SC..Hα-helixtrans-64.3-48.5176.9-70.1-175.8000111.1W599 V600 T601 F605 T606 I607W599-I603 HydrophobicContact CE3-CD1 3.35Å; W599-I603 HydrophobicContact CE3-CG1 4.16Å; W599-I603 HydrophobicContact CH2-CD1 4.23Å; W599-I603 HydrophobicContact CZ3-CD1 3.1Å; W599-I603 HydrophobicContact CZ3-CG1 4.32Å; W599-I603 PolarHBondContact O-N 2.6Å; W599-I603 VanDerWaalsContact O-N 3.16Å; V600-I603 PolarHBondContact O-N 3.23Å; T601-I603 VanDerWaalsContact C-N 3.33Å; T601-I603 PolarHBondContact O-N 3.41Å; I603-F605 VanDerWaalsContact C-N 3.3Å; I603-F605 PolarHBondContact O-N 3.26Å; I603-T606 PolarHBondContact O-N 2.88Å; I603-I607 HydrophobicContact CG2-CD1 3.71Å; I603-I607 HydrophobicContact CG2-CG1 4.35Å; I603-I607 VanDerWaalsContact O-CG1 3.29Å; I603-I607 WeakPolarHBondContact O-CG1 3.45Å; I603-I607 PolarHBondContact O-N 3.18Å
604R89.3Confident89.8Confident27 Ų2753.5 Ų53.510%0.10226%0.264CS..Hα-helixtrans-59.4-43.6179.8-65.8176.7-163.7156.75.9111.5S418 F422 V600 T601 I607 W608S418-R604 PolarHBondContact O-NH1 2.84Å; S418-R604 PolarHBondContact OG-NH2 3.02Å; F422-R604 HydrophobicContact CD1-CB 4.16Å; F422-R604 HydrophobicContact CD2-CB 4.04Å; F422-R604 HydrophobicContact CE1-CB 3.83Å; F422-R604 HydrophobicContact CE2-CB 3.71Å; F422-R604 HydrophobicContact CG-CB 4.28Å; F422-R604 HydrophobicContact CZ-CB 3.6Å; V600-R604 WeakPolarHBondContact O-CG 3.44Å; V600-R604 PolarHBondContact O-N 3.39Å; T601-R604 PolarHBondContact O-N 3.47Å; R604-I607 PolarHBondContact O-N 3.42Å; R604-W608 PolarHBondContact O-N 3.08Å
605F88.6Confident89.9Confident16 Ų1655.7 Ų55.77%0.0728%0.276CS..Hα-helixtrans-66.2-42.2176.8-172.2-102.2000112.3A129 L132 F422 L425 I429 T601 I603 I607 W608 I609A129-F605 HydrophobicContact CB-CE2 4.33Å; A129-F605 HydrophobicContact CB-CZ 4.4Å; L132-F605 HydrophobicContact CD2-CD2 4.01Å; L132-F605 HydrophobicContact CD2-CE2 4.34Å; F422-F605 HydrophobicContact CE2-CB 3.93Å; F422-F605 HydrophobicContact CE2-CD2 4.32Å; L425-F605 HydrophobicContact CD1-CB 4.4Å; L425-F605 HydrophobicContact CD2-CB 3.6Å; L425-F605 HydrophobicContact CD2-CD1 3.4Å; L425-F605 HydrophobicContact CD2-CD2 3.47Å; L425-F605 VanDerWaalsContact CD2-CD2 3.47Å; L425-F605 HydrophobicContact CD2-CE1 3.84Å; L425-F605 HydrophobicContact CD2-CE2 3.91Å; L425-F605 HydrophobicContact CD2-CG 3.18Å; L425-F605 HydrophobicContact CD2-CZ 4.07Å; I429-F605 HydrophobicContact CD1-CD1 4.1Å; I429-F605 HydrophobicContact CD1-CE1 3.4Å; I429-F605 VanDerWaalsContact CD1-CE1 3.4Å; I429-F605 HydrophobicContact CD1-CZ 3.65Å; T601-F605 PolarHBondContact O-N 3.22Å; I603-F605 VanDerWaalsContact C-N 3.3Å; I603-F605 PolarHBondContact O-N 3.26Å; F605-I607 VanDerWaalsContact C-N 3.34Å; F605-I607 PolarHBondContact O-N 2.78Å; F605-W608 PolarHBondContact O-N 3.01Å; F605-I609 HydrophobicContact CD1-CG1 3.79Å; F605-I609 HydrophobicContact CE1-CD1 3.93Å; F605-I609 HydrophobicContact CE1-CG1 3.39Å; F605-I609 HydrophobicContact CE2-CD1 4.24Å; F605-I609 HydrophobicContact CE2-CG1 4.24Å; F605-I609 HydrophobicContact CG-CG1 4.37Å; F605-I609 HydrophobicContact CZ-CD1 3.67Å; F605-I609 HydrophobicContact CZ-CG1 3.66Å; F605-I609 WeakPolarHBondContact O-CG1 3.42Å; F605-I609 PolarHBondContact O-N 2.78Å
606T91.5Very high90.1Very high73 Ų7354.4 Ų54.445%0.44827%0.267SS..Hα-helixtrans-60.2-44.9176.3-58.50000110.9W602 I603 W608 I609 V610W602-T606 VanDerWaalsContact O-CB 3.3Å; W602-T606 WeakPolarHBondContact O-CB 3.08Å; W602-T606 PolarHBondContact O-N 2.85Å; W602-T606 PolarHBondContact O-OG1 3.47Å; I603-T606 PolarHBondContact O-N 2.88Å; T606-W608 VanDerWaalsContact C-N 3.33Å; T606-W608 PolarHBondContact O-N 2.79Å; T606-I609 PolarHBondContact O-N 3.16Å; T606-V610 HydrophobicContact CG2-CG2 4.3Å; T606-V610 WeakPolarHBondContact O-CB 3.15Å; T606-V610 WeakPolarHBondContact O-CG2 3.11Å; T606-V610 PolarHBondContact O-N 2.81Å
607I93Very high90.4Very high96 Ų9655.2 Ų55.249%0.49227%0.269SS..Hα-helixtrans-58.2-47.2175.5-68.1165.8000110.3I603 R604 F605 V610 I611I603-I607 HydrophobicContact CG2-CD1 3.71Å; I603-I607 HydrophobicContact CG2-CG1 4.35Å; I603-I607 VanDerWaalsContact O-CG1 3.29Å; I603-I607 WeakPolarHBondContact O-CG1 3.45Å; I603-I607 PolarHBondContact O-N 3.18Å; R604-I607 PolarHBondContact O-N 3.42Å; F605-I607 VanDerWaalsContact C-N 3.34Å; F605-I607 PolarHBondContact O-N 2.78Å; I607-V610 PolarHBondContact O-N 3.07Å; I607-I611 HydrophobicContact CG2-CD1 4Å; I607-I611 WeakPolarHBondContact O-CG1 3.45Å; I607-I611 PolarHBondContact O-N 3.22Å
608W93Very high90.7Very high28 Ų2857.8 Ų57.811%0.10630%0.299CS..Hα-helixtrans-62.6-44179.1-177.1-99.5000113W128 L132 I135 I406 R604 F605 T606 I611 G612W128-W608 AromaticContact CD1-CD1 3.44Å; W128-W608 VanDerWaalsContact CD1-CD1 3.44Å; W128-W608 AromaticContact CD1-NE1 3.17Å; W128-W608 HydrophobicContact CD2-CZ2 4.27Å; W128-W608 AromaticContact CD2-NE1 3.89Å; W128-W608 AromaticContact CE2-CE2 3.48Å; W128-W608 VanDerWaalsContact CE2-CE2 3.48Å; W128-W608 AromaticContact CE2-CZ2 3.65Å; W128-W608 AromaticContact CE2-NE1 3.43Å; W128-W608 AromaticContact CG-NE1 3.73Å; W128-W608 HydrophobicContact CH2-CH2 4.25Å; W128-W608 AromaticContact CH2-CZ2 3.97Å; W128-W608 HydrophobicContact CH2-CZ2 3.97Å; W128-W608 HydrophobicContact CZ2-CD2 4.33Å; W128-W608 AromaticContact CZ2-CE2 3.7Å; W128-W608 AromaticContact CZ2-CH2 3.88Å; W128-W608 HydrophobicContact CZ2-CH2 3.88Å; W128-W608 AromaticContact CZ2-CZ2 3.47Å; W128-W608 HydrophobicContact CZ2-CZ2 3.47Å; W128-W608 VanDerWaalsContact CZ2-CZ2 3.47Å; W128-W608 HydrophobicContact CZ2-CZ3 4.45Å; W128-W608 AromaticContact NE1-CD1 3.27Å; W128-W608 VanDerWaalsContact NE1-CD1 3.27Å; W128-W608 AromaticContact NE1-CD2 3.86Å; W128-W608 AromaticContact NE1-CE2 3.38Å; W128-W608 AromaticContact NE1-CG 3.84Å; W128-W608 AromaticContact NE1-NE1 2.96Å; W128-W608 PolarHBondContact NE1-O 3.19Å; W128-W608 PolarHBondContact O-NE1 2.67Å; W128-W608 VanDerWaalsContact O-NE1 3.09Å; L132-W608 HydrophobicContact CB-CD2 4.46Å; L132-W608 HydrophobicContact CB-CG 4.48Å; L132-W608 HydrophobicContact CB-CZ2 4.25Å; L132-W608 HydrophobicContact CD1-CD2 3.7Å; L132-W608 HydrophobicContact CD1-CE3 4.07Å; L132-W608 HydrophobicContact CD1-CG 3.98Å; L132-W608 HydrophobicContact CD1-CZ2 4.2Å; L132-W608 HydrophobicContact CD1-CZ3 4.47Å; L132-W608 HydrophobicContact CD2-CB 4.18Å; L132-W608 HydrophobicContact CD2-CD2 4.36Å; L132-W608 HydrophobicContact CD2-CG 3.76Å; L132-W608 HydrophobicContact CG-CD2 4.37Å; L132-W608 HydrophobicContact CG-CG 4.27Å; I135-W608 HydrophobicContact CD1-CH2 4.2Å; I135-W608 HydrophobicContact CD1-CZ2 4.44Å; I406-W608 HydrophobicContact CD1-CH2 4.27Å; R604-W608 PolarHBondContact O-N 3.08Å; F605-W608 PolarHBondContact O-N 3.01Å; T606-W608 VanDerWaalsContact C-N 3.33Å; T606-W608 PolarHBondContact O-N 2.79Å; W608-I611 PolarHBondContact O-N 3.45Å; W608-G612 PolarHBondContact O-N 2.64Å
609I92.9Very high91Very high29 Ų2959.4 Ų59.415%0.14930%0.302CS..Hα-helixtrans-63.5-42.8175.8-69.4-59.3000110.6I125 F605 T606 I611 G612 L613I125-I609 HydrophobicContact CG2-CD1 4.39Å; F605-I609 HydrophobicContact CD1-CG1 3.79Å; F605-I609 HydrophobicContact CE1-CD1 3.93Å; F605-I609 HydrophobicContact CE1-CG1 3.39Å; F605-I609 HydrophobicContact CE2-CD1 4.24Å; F605-I609 HydrophobicContact CE2-CG1 4.24Å; F605-I609 HydrophobicContact CG-CG1 4.37Å; F605-I609 HydrophobicContact CZ-CD1 3.67Å; F605-I609 HydrophobicContact CZ-CG1 3.66Å; F605-I609 WeakPolarHBondContact O-CG1 3.42Å; F605-I609 PolarHBondContact O-N 2.78Å; T606-I609 PolarHBondContact O-N 3.16Å; I609-I611 VanDerWaalsContact C-N 3.33Å; I609-I611 PolarHBondContact O-N 3.35Å; I609-G612 CarbonylContact O-C 3.59Å; I609-G612 WeakPolarHBondContact O-CA 3.27Å; I609-G612 PolarHBondContact O-N 3.25Å; I609-G612 VanDerWaalsContact O-N 3.09Å; I609-L613 HydrophobicContact CG2-CD1 3.89Å; I609-L613 HydrophobicContact CG2-CG 4.06Å; I609-L613 VanDerWaalsContact O-CG 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.25Å; I609-L613 PolarHBondContact O-N 3.01Å
610V95.1Very high91.1Very high71 Ų7150.5 Ų50.543%0.4327%0.268SS..Hα-helixtrans-59.9-43.7176.8168.20000111.1T606 I607 G612 L613 I614T606-V610 HydrophobicContact CG2-CG2 4.3Å; T606-V610 WeakPolarHBondContact O-CB 3.15Å; T606-V610 WeakPolarHBondContact O-CG2 3.11Å; T606-V610 PolarHBondContact O-N 2.81Å; I607-V610 PolarHBondContact O-N 3.07Å; V610-G612 VanDerWaalsContact C-N 3.3Å; V610-G612 PolarHBondContact O-N 3.23Å; V610-L613 PolarHBondContact O-N 3.17Å; V610-I614 HydrophobicContact CG1-CD1 3.96Å; V610-I614 VanDerWaalsContact O-CG1 3.28Å; V610-I614 WeakPolarHBondContact O-CG1 3.34Å; V610-I614 PolarHBondContact O-N 3.32Å
611I94.1Very high91.1Very high77 Ų7749 Ų4940%0.39526%0.259SS..Hα-helixtrans-58.6-45173.8-67.1164.9000110.5W128 I607 W608 I609 I614 L615W128-I611 HydrophobicContact CZ2-CG2 4.28Å; I607-I611 HydrophobicContact CG2-CD1 4Å; I607-I611 WeakPolarHBondContact O-CG1 3.45Å; I607-I611 PolarHBondContact O-N 3.22Å; W608-I611 PolarHBondContact O-N 3.45Å; I609-I611 VanDerWaalsContact C-N 3.33Å; I609-I611 PolarHBondContact O-N 3.35Å; I611-I614 PolarHBondContact O-N 3.17Å; I611-L615 HydrophobicContact CG2-CD1 4.39Å; I611-L615 WeakPolarHBondContact O-CG 3.4Å; I611-L615 PolarHBondContact O-N 2.9Å
612G93.5Very high91.1Very high0 Ų050.4 Ų50.40%027%0.266CS..Hα-helixtrans-60.8-45.4175.800000112.8F124 W128 W608 I609 V610 I614 L615 Y616F124-G612 VanDerWaalsContact CE1-C 3.48Å; F124-G612 WeakPolarHBondContact CE1-O 3.48Å; F124-G612 WeakPolarHBondContact CZ-O 3.41Å; W128-G612 VanDerWaalsContact NE1-CA 3.28Å; W608-G612 PolarHBondContact O-N 2.64Å; I609-G612 CarbonylContact O-C 3.59Å; I609-G612 WeakPolarHBondContact O-CA 3.27Å; I609-G612 PolarHBondContact O-N 3.25Å; I609-G612 VanDerWaalsContact O-N 3.09Å; V610-G612 VanDerWaalsContact C-N 3.3Å; V610-G612 PolarHBondContact O-N 3.23Å; G612-I614 VanDerWaalsContact C-N 3.32Å; G612-I614 PolarHBondContact O-N 3.21Å; G612-L615 WeakPolarHBondContact O-CB 3.23Å; G612-L615 PolarHBondContact O-N 3.13Å; G612-L615 VanDerWaalsContact O-N 3.13Å; G612-Y616 WeakPolarHBondContact O-CB 3.1Å; G612-Y616 PolarHBondContact O-N 3.12Å
613L93.9Very high91Very high48 Ų4846.4 Ų46.425%0.25125%0.253SS..Hα-helixtrans-63.4-38.9178.8-68.5175.7000111.5F121 I609 V610 L615 Y616 F617F121-L613 HydrophobicContact CE2-CD2 3.64Å; F121-L613 HydrophobicContact CZ-CD2 4.06Å; I609-L613 HydrophobicContact CG2-CD1 3.89Å; I609-L613 HydrophobicContact CG2-CG 4.06Å; I609-L613 VanDerWaalsContact O-CG 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.25Å; I609-L613 PolarHBondContact O-N 3.01Å; V610-L613 PolarHBondContact O-N 3.17Å; L613-L615 VanDerWaalsContact C-N 3.32Å; L613-L615 PolarHBondContact O-N 2.76Å; L613-Y616 PolarHBondContact O-N 3.23Å; L613-F617 HydrophobicContact CB-CD2 4.4Å; L613-F617 HydrophobicContact CD2-CE2 4.1Å; L613-F617 WeakPolarHBondContact O-CB 3.35Å; L613-F617 VanDerWaalsContact O-CD2 3.32Å; L613-F617 WeakPolarHBondContact O-CD2 3.31Å; L613-F617 PolarHBondContact O-N 2.95Å
614I94.6Very high90.7Very high113 Ų11343 Ų4358%0.57924%0.236SC*.Hα-helixtrans-60.9-43.3173.5-68.6165.2000110.4V610 I611 G612 G618V610-I614 HydrophobicContact CG1-CD1 3.96Å; V610-I614 VanDerWaalsContact O-CG1 3.28Å; V610-I614 WeakPolarHBondContact O-CG1 3.34Å; V610-I614 PolarHBondContact O-N 3.32Å; I611-I614 PolarHBondContact O-N 3.17Å; G612-I614 VanDerWaalsContact C-N 3.32Å; G612-I614 PolarHBondContact O-N 3.21Å; I614-G618 VanDerWaalsContact O-CA 3.29Å; I614-G618 WeakPolarHBondContact O-CA 3.24Å; I614-G618 PolarHBondContact O-N 3.02Å
615L91.8Very high90.5Very high57 Ų5743.8 Ų43.830%0.29824%0.239SC..Hα-helixtrans-65.8-43176.1-71.9170000112.3W128 I611 G612 L613 F619 G620W128-L615 HydrophobicContact CH2-CD1 3.69Å; W128-L615 HydrophobicContact CZ2-CD1 4.07Å; W128-L615 HydrophobicContact CZ3-CD1 4.31Å; I611-L615 HydrophobicContact CG2-CD1 4.39Å; I611-L615 WeakPolarHBondContact O-CG 3.4Å; I611-L615 PolarHBondContact O-N 2.9Å; G612-L615 WeakPolarHBondContact O-CB 3.23Å; G612-L615 PolarHBondContact O-N 3.13Å; G612-L615 VanDerWaalsContact O-N 3.13Å; L613-L615 VanDerWaalsContact C-N 3.32Å; L613-L615 PolarHBondContact O-N 2.76Å; L615-F619 WeakPolarHBondContact O-CB 3.23Å; L615-F619 PolarHBondContact O-N 3.1Å; L615-G620 PolarHBondContact O-N 2.98Å; L615-G620 VanDerWaalsContact O-N 3.11Å
616Y92Very high90.3Very high0 Ų048.9 Ų48.90%026%0.258CS..Iπ-helixtrans-67.2-50.6-178.4178.2-104.1000112.4L23 E120 F121 F124 L381 G612 L613 G620 V621L23-Y616 HydrophobicContact CD2-CE1 4.49Å; E120-Y616 HydrophobicContact CG-CE2 4.06Å; E120-Y616 PolarHBondContact OE1-OH 3.31Å; F121-Y616 HydrophobicContact CB-CE1 4.33Å; F121-Y616 AromaticContact CD2-CD1 3.92Å; F121-Y616 HydrophobicContact CD2-CD1 3.92Å; F121-Y616 AromaticContact CD2-CE1 3.5Å; F121-Y616 HydrophobicContact CD2-CE1 3.5Å; F121-Y616 HydrophobicContact CE2-CD1 4.33Å; F121-Y616 HydrophobicContact CE2-CE1 4.28Å; F121-Y616 HydrophobicContact CG-CE1 4.39Å; F124-Y616 HydrophobicContact CB-CD2 3.91Å; F124-Y616 HydrophobicContact CB-CE2 4.09Å; F124-Y616 HydrophobicContact CD1-CD2 4.01Å; F124-Y616 AromaticContact CD1-CG 3.91Å; F124-Y616 HydrophobicContact CD1-CG 3.91Å; F124-Y616 AromaticContact CD2-CD2 3.86Å; F124-Y616 HydrophobicContact CD2-CD2 3.86Å; F124-Y616 HydrophobicContact CD2-CG 4.44Å; F124-Y616 HydrophobicContact CE1-CG 4.27Å; F124-Y616 HydrophobicContact CE2-CD2 4.43Å; F124-Y616 AromaticContact CG-CD2 3.61Å; F124-Y616 HydrophobicContact CG-CD2 3.61Å; F124-Y616 HydrophobicContact CG-CE2 4.3Å; F124-Y616 HydrophobicContact CG-CG 4.01Å; L381-Y616 HydrophobicContact CD2-CD2 3.98Å; L381-Y616 HydrophobicContact CD2-CE2 3.65Å; G612-Y616 WeakPolarHBondContact O-CB 3.1Å; G612-Y616 PolarHBondContact O-N 3.12Å; L613-Y616 PolarHBondContact O-N 3.23Å; Y616-G620 CarbonylContact O-C 3.6Å; Y616-G620 WeakPolarHBondContact O-CA 3.03Å; Y616-G620 PolarHBondContact O-N 3.31Å; Y616-V621 HydrophobicContact CD1-CG2 3.75Å; Y616-V621 HydrophobicContact CD2-CG2 4.35Å; Y616-V621 HydrophobicContact CE1-CG2 3.18Å; Y616-V621 HydrophobicContact CE2-CG2 3.87Å; Y616-V621 HydrophobicContact CG-CG2 4.3Å; Y616-V621 PolarHBondContact O-N 3.14Å
617F92.4Very high89.8Confident68 Ų6848.5 Ų48.530%0.29825%0.253SS..Iπ-helixtrans-75.2-31.5178.6-72.1-67.6000112.3Y15 L23 F121 L613 V621Y15-F617 WeakPolarHBondContact CE2-O 3.17Å; Y15-F617 PolarHBondContact OH-O 3.07Å; L23-F617 HydrophobicContact CD2-CE1 4.31Å; L23-F617 HydrophobicContact CD2-CZ 4.34Å; F121-F617 HydrophobicContact CD2-CZ 4.46Å; F121-F617 HydrophobicContact CE2-CE2 4.09Å; F121-F617 HydrophobicContact CE2-CZ 4.02Å; L613-F617 HydrophobicContact CB-CD2 4.4Å; L613-F617 HydrophobicContact CD2-CE2 4.1Å; L613-F617 WeakPolarHBondContact O-CB 3.35Å; L613-F617 VanDerWaalsContact O-CD2 3.32Å; L613-F617 WeakPolarHBondContact O-CD2 3.31Å; L613-F617 PolarHBondContact O-N 2.95Å; F617-V621 HydrophobicContact CD1-CG2 4.32Å
618G89.4Confident89.2Confident68 Ų6845.5 Ų45.570%0.70124%0.24SC*.Iπ-helixtrans-75.8-29.1178.700000114.3I614I614-G618 VanDerWaalsContact O-CA 3.29Å; I614-G618 WeakPolarHBondContact O-CA 3.24Å; I614-G618 PolarHBondContact O-N 3.02Å
619F89.2Confident88.6Confident68 Ų6849.7 Ų49.730%0.29826%0.259SS..Iπ-helixtrans-136.9-54.2-174.8174.9-93.5000113I382 T384 L615 V621 M622 N623I382-F619 WeakPolarHBondContact O-CE1 3.46Å; T384-F619 HydrophobicContact CG2-CZ 4.48Å; L615-F619 WeakPolarHBondContact O-CB 3.23Å; L615-F619 PolarHBondContact O-N 3.1Å; F619-V621 PolarHBondContact O-N 3.42Å; F619-M622 PolarHBondContact O-N 3.18Å; F619-N623 HydrophobicContact CD1-CB 4.42Å; F619-N623 HydrophobicContact CE1-CB 3.97Å; F619-N623 HydrophobicContact CE2-CB 4.35Å; F619-N623 HydrophobicContact CZ-CB 3.94Å; F619-N623 WeakPolarHBondContact O-CB 3.39Å; F619-N623 PolarHBondContact O-N 3.45Å
620G86.4Confident87.9Confident0 Ų052.5 Ų52.50%027%0.274CS..Iπ-helixtrans-52.9-59.5-169.600000113.8L381 L615 Y616 M622 N623 T624L381-G620 WeakPolarHBondContact O-CA 3.25Å; L615-G620 PolarHBondContact O-N 2.98Å; L615-G620 VanDerWaalsContact O-N 3.11Å; Y616-G620 CarbonylContact O-C 3.6Å; Y616-G620 WeakPolarHBondContact O-CA 3.03Å; Y616-G620 PolarHBondContact O-N 3.31Å; G620-M622 VanDerWaalsContact C-N 3.3Å; G620-M622 PolarHBondContact O-N 2.94Å; G620-N623 PolarHBondContact O-N 2.7Å; G620-N623 VanDerWaalsContact O-N 3.09Å; G620-T624 WeakPolarHBondContact O-CG2 3.42Å; G620-T624 PolarHBondContact O-N 2.85Å; G620-T624 PolarHBondContact O-OG1 2.81Å; G620-T624 VanDerWaalsContact O-OG1 3.06Å
621V87.2Confident86.9Confident0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-53-44.7-176.9161.20000113A18 V19 Y616 F617 F619 T624 Y625A18-V621 HydrophobicContact CB-CG1 3.91Å; V19-V621 HydrophobicContact CB-CG1 4.4Å; V19-V621 HydrophobicContact CG2-CG1 3.81Å; Y616-V621 HydrophobicContact CD1-CG2 3.75Å; Y616-V621 HydrophobicContact CD2-CG2 4.35Å; Y616-V621 HydrophobicContact CE1-CG2 3.18Å; Y616-V621 HydrophobicContact CE2-CG2 3.87Å; Y616-V621 HydrophobicContact CG-CG2 4.3Å; Y616-V621 PolarHBondContact O-N 3.14Å; F617-V621 HydrophobicContact CD1-CG2 4.32Å; F619-V621 PolarHBondContact O-N 3.42Å; V621-T624 PolarHBondContact O-OG1 3.37Å; V621-T624 VanDerWaalsContact O-OG1 3.1Å; V621-Y625 VanDerWaalsContact O-CB 3.27Å; V621-Y625 WeakPolarHBondContact O-CB 3.45Å; V621-Y625 PolarHBondContact O-N 3.01Å; V621-Y625 VanDerWaalsContact O-N 3.09Å
622M85.4Confident86Confident29 Ų2955.7 Ų55.714%0.14329%0.286CS..Hα-helixtrans-72.9-39.3-177.6-176.960.9101.600110.8E14 Y15 A18 F619 G620 Y625 R626E14-M622 HydrophobicContact CG-CE 4.35Å; E14-M622 HydrophobicContact CG-SD 4.5Å; Y15-M622 HydrophobicContact CD2-CE 4.03Å; Y15-M622 HydrophobicContact CG-CE 4.41Å; A18-M622 HydrophobicContact CB-SD 4.16Å; F619-M622 PolarHBondContact O-N 3.18Å; G620-M622 VanDerWaalsContact C-N 3.3Å; G620-M622 PolarHBondContact O-N 2.94Å; M622-Y625 PolarHBondContact O-N 2.6Å; M622-Y625 HydrophobicContact SD-CD1 4.47Å; M622-R626 WeakPolarHBondContact O-CG 3.15Å; M622-R626 PolarHBondContact O-N 2.83Å
623N86.5Confident84.9Confident29 Ų2958.4 Ų58.416%0.15531%0.305CS..Hα-helixtrans-68.6-44-179.2-172.158.1000111.7G380 F619 G620 Y625 R626 L627G380-N623 VanDerWaalsContact CA-ND2 3.26Å; G380-N623 WeakPolarHBondContact CA-ND2 3.39Å; G380-N623 PolarHBondContact O-ND2 2.85Å; F619-N623 HydrophobicContact CD1-CB 4.42Å; F619-N623 HydrophobicContact CE1-CB 3.97Å; F619-N623 HydrophobicContact CE2-CB 4.35Å; F619-N623 HydrophobicContact CZ-CB 3.94Å; F619-N623 WeakPolarHBondContact O-CB 3.39Å; F619-N623 PolarHBondContact O-N 3.45Å; G620-N623 PolarHBondContact O-N 2.7Å; G620-N623 VanDerWaalsContact O-N 3.09Å; N623-Y625 VanDerWaalsContact C-N 3.33Å; N623-Y625 PolarHBondContact O-N 3.45Å; N623-R626 PolarHBondContact O-N 3.47Å; N623-L627 WeakPolarHBondContact O-CG 3.34Å; N623-L627 PolarHBondContact O-N 3.06Å
624T85.4Confident83.5Confident5 Ų561.9 Ų61.93%0.03132%0.32CS..Hα-helixtrans-65-37.3175.558.40000111.6R25 E120 D379 L381 G620 V621 S628R25-T624 PolarHBondContact NH1-O 2.75Å; R25-T624 PolarHBondContact NH2-O 3.27Å; R25-T624 PolarHBondContact NH2-OG1 3.39Å; E120-T624 WeakPolarHBondContact OE1-CB 3.09Å; E120-T624 WeakPolarHBondContact OE1-CG2 3.26Å; E120-T624 PolarHBondContact OE1-OG1 3.42Å; E120-T624 PolarHBondContact OE2-OG1 2.88Å; D379-T624 WeakPolarHBondContact O-CG2 3.4Å; L381-T624 HydrophobicContact CD2-CG2 3.71Å; L381-T624 HydrophobicContact CG-CG2 4.17Å; G620-T624 WeakPolarHBondContact O-CG2 3.42Å; G620-T624 PolarHBondContact O-N 2.85Å; G620-T624 PolarHBondContact O-OG1 2.81Å; G620-T624 VanDerWaalsContact O-OG1 3.06Å; V621-T624 PolarHBondContact O-OG1 3.37Å; V621-T624 VanDerWaalsContact O-OG1 3.1Å; T624-S628 WeakPolarHBondContact O-CB 3.28Å; T624-S628 PolarHBondContact O-N 3.07Å
625Y84.6Confident81.8Confident45 Ų4561.1 Ų61.118%0.17632%0.317CS..Hα-helixtrans-58.1-46.6171.3-179.8-103.9000112.8E14 A18 S21 V621 M622 N623 S628 K629E14-Y625 HydrophobicContact CG-CE1 3.94Å; A18-Y625 HydrophobicContact CB-CD1 3.83Å; A18-Y625 HydrophobicContact CB-CD2 4.05Å; A18-Y625 HydrophobicContact CB-CG 3.53Å; S21-Y625 WeakPolarHBondContact OG-CD2 3.22Å; V621-Y625 VanDerWaalsContact O-CB 3.27Å; V621-Y625 WeakPolarHBondContact O-CB 3.45Å; V621-Y625 PolarHBondContact O-N 3.01Å; V621-Y625 VanDerWaalsContact O-N 3.09Å; M622-Y625 PolarHBondContact O-N 2.6Å; M622-Y625 HydrophobicContact SD-CD1 4.47Å; N623-Y625 VanDerWaalsContact C-N 3.33Å; N623-Y625 PolarHBondContact O-N 3.45Å; Y625-S628 PolarHBondContact O-N 3.24Å; Y625-K629 PolarHBondContact O-N 3.27Å
626R84.3Confident80.2Confident123 Ų12361.8 Ų61.846%0.46433%0.327SS..Hα-helixtrans-63.5-48.1177.3-71.1171.7-179.5179.8-0.4112.5M622 N623 S628 K629 D630M622-R626 WeakPolarHBondContact O-CG 3.15Å; M622-R626 PolarHBondContact O-N 2.83Å; N623-R626 PolarHBondContact O-N 3.47Å; R626-S628 VanDerWaalsContact C-N 3.26Å; R626-S628 PolarHBondContact O-N 2.77Å; R626-K629 WeakPolarHBondContact O-CB 3.45Å; R626-K629 PolarHBondContact O-N 3.21Å; R626-D630 PolarHBondContact O-N 3.22Å
627L82Confident78.2Confident65 Ų6568 Ų6834%0.3436%0.355SS..Hα-helixtrans-57-39.4177.6-74.6165.7000112.6N623 N631N623-L627 WeakPolarHBondContact O-CG 3.34Å; N623-L627 PolarHBondContact O-N 3.06Å; L627-N631 WeakPolarHBondContact O-CB 3.45Å; L627-N631 VanDerWaalsContact O-CG 3.25Å; L627-N631 PolarHBondContact O-N 2.94Å; L627-N631 PolarHBondContact O-ND2 3.24Å
628S79.3Confident76.3Confident32 Ų3269.3 Ų69.322%0.22437%0.369CS..Hα-helixtrans-63.4-43.4175.9-167.40000112R25 T624 Y625 R626 N631 E632R25-S628 PolarHBondContact NH1-OG 3.35Å; T624-S628 WeakPolarHBondContact O-CB 3.28Å; T624-S628 PolarHBondContact O-N 3.07Å; Y625-S628 PolarHBondContact O-N 3.24Å; R626-S628 VanDerWaalsContact C-N 3.26Å; R626-S628 PolarHBondContact O-N 2.77Å; S628-N631 PolarHBondContact O-N 3.15Å; S628-E632 WeakPolarHBondContact O-CG 3.41Å; S628-E632 PolarHBondContact O-N 2.88Å
629K79.7Confident74.2Confident116 Ų11675.6 Ų75.650%0.50437%0.373SS..Hα-helixtrans-67-39179.7-169.8-179.5178.1-176.30111.9Y625 R626 E632 S633Y625-K629 PolarHBondContact O-N 3.27Å; R626-K629 WeakPolarHBondContact O-CB 3.45Å; R626-K629 PolarHBondContact O-N 3.21Å; K629-E632 PolarHBondContact O-N 3.32Å; K629-S633 PolarHBondContact O-N 2.95Å; K629-S633 VanDerWaalsContact O-N 3.09Å
630D79.9Confident72.2Confident88 Ų8879.5 Ų79.547%0.47140%0.396SS..Hα-helixtrans-65.1-45.8177.3-65-18.8000110.5R626 E632 S633 E634R626-D630 PolarHBondContact O-N 3.22Å; D630-E632 PolarHBondContact O-N 2.92Å; D630-S633 PolarHBondContact O-N 3.47Å; D630-S633 VanDerWaalsContact O-N 3.13Å; D630-S633 PolarHBondContact O-OG 3.44Å; D630-E634 PolarHBondContact O-N 2.73Å
631N73.8Confident70Confident92 Ų9287.2 Ų87.249%0.49243%0.432SS..Hα-helixtrans-62.6-39.2176.3-71.4-17.2000113.1L627 S628 S633 E634 N635L627-N631 WeakPolarHBondContact O-CB 3.45Å; L627-N631 VanDerWaalsContact O-CG 3.25Å; L627-N631 PolarHBondContact O-N 2.94Å; L627-N631 PolarHBondContact O-ND2 3.24Å; S628-N631 PolarHBondContact O-N 3.15Å; N631-S633 VanDerWaalsContact C-N 3.3Å; N631-S633 PolarHBondContact O-N 2.56Å; N631-E634 PolarHBondContact O-N 3.45Å; N631-N635 WeakPolarHBondContact O-CB 3.33Å; N631-N635 PolarHBondContact O-N 3.1Å
632E74.4Confident67.9Low123 Ų12390.8 Ų90.858%0.57545%0.451SS*.Hα-helixtrans-63-37.8174.4-78.2173-162.500111.8S628 K629 D630 S636S628-E632 WeakPolarHBondContact O-CG 3.41Å; S628-E632 PolarHBondContact O-N 2.88Å; K629-E632 PolarHBondContact O-N 3.32Å; D630-E632 PolarHBondContact O-N 2.92Å; E632-S636 WeakPolarHBondContact O-CB 3.41Å; E632-S636 PolarHBondContact O-N 3.47Å; E632-S636 PolarHBondContact O-OG 3.04Å
633S70Confident66.1Low57 Ų5793.3 Ų93.340%0.39947%0.469SS..Hα-helixtrans-69.8-40.5178.177.10000112.9K629 D630 N631 S636 Q637K629-S633 PolarHBondContact O-N 2.95Å; K629-S633 VanDerWaalsContact O-N 3.09Å; D630-S633 PolarHBondContact O-N 3.47Å; D630-S633 VanDerWaalsContact O-N 3.13Å; D630-S633 PolarHBondContact O-OG 3.44Å; N631-S633 VanDerWaalsContact C-N 3.3Å; N631-S633 PolarHBondContact O-N 2.56Å; S633-S636 PolarHBondContact O-N 3.02Å; S633-Q637 WeakPolarHBondContact O-CG 3.49Å; S633-Q637 PolarHBondContact O-N 3.01Å; S633-Q637 VanDerWaalsContact O-N 3.1Å
634E64.6Low64.2Low121 Ų12197.4 Ų97.457%0.56549%0.492SS*.Hα-helixtrans-66.5-44.4175.6-74.7-172.116800111.9D630 N631 S636 Q637 T638D630-E634 PolarHBondContact O-N 2.73Å; N631-E634 PolarHBondContact O-N 3.45Å; E634-S636 VanDerWaalsContact C-N 3.33Å; E634-S636 PolarHBondContact O-N 3.18Å; E634-Q637 PolarHBondContact O-N 3.2Å; E634-T638 PolarHBondContact O-N 3.1Å; E634-T638 PolarHBondContact O-OG1 3.48Å
635N60.1Low62.3Low98 Ų98102 Ų10252%0.52452%0.516SS..Hα-helixtrans-60.4-44.6176.1-80.5-19.7000111N631 Q637 T638 Y639N631-N635 WeakPolarHBondContact O-CB 3.33Å; N631-N635 PolarHBondContact O-N 3.1Å; N635-Q637 VanDerWaalsContact C-N 3.31Å; N635-Q637 PolarHBondContact O-N 3.31Å; N635-T638 PolarHBondContact O-N 3.19Å; N635-Y639 WeakPolarHBondContact O-CD2 3.22Å; N635-Y639 PolarHBondContact O-N 2.73Å
636S57.1Low60.1Low71 Ų71107 Ų10750%0.49754%0.541SS..Hα-helixtrans-61.6-36.9178.5-58.30000112.8E632 S633 E634 L640E632-S636 WeakPolarHBondContact O-CB 3.41Å; E632-S636 PolarHBondContact O-N 3.47Å; E632-S636 PolarHBondContact O-OG 3.04Å; S633-S636 PolarHBondContact O-N 3.02Å; E634-S636 VanDerWaalsContact C-N 3.33Å; E634-S636 PolarHBondContact O-N 3.18Å; S636-L640 WeakPolarHBondContact O-CG 3.31Å; S636-L640 PolarHBondContact O-N 3.05Å
637Q51.6Low58Low130 Ų130108.6 Ų108.661%0.60755%0.551SS**Hα-helixtrans-70.8-37.6175.1-73.4179.41.600112.5S633 E634 N635 Y639 L640 H641S633-Q637 WeakPolarHBondContact O-CG 3.49Å; S633-Q637 PolarHBondContact O-N 3.01Å; S633-Q637 VanDerWaalsContact O-N 3.1Å; E634-Q637 PolarHBondContact O-N 3.2Å; N635-Q637 VanDerWaalsContact C-N 3.31Å; N635-Q637 PolarHBondContact O-N 3.31Å; Q637-Y639 VanDerWaalsContact C-N 3.33Å; Q637-Y639 PolarHBondContact O-N 3.3Å; Q637-L640 PolarHBondContact O-N 3.01Å; Q637-L640 VanDerWaalsContact O-N 3.09Å; Q637-H641 PolarHBondContact O-N 2.64Å; Q637-H641 VanDerWaalsContact O-N 3.1Å
638T51.1Low56Low95 Ų95112.2 Ų112.258%0.58357%0.566SS**Hα-helixtrans-62.9-40.7179.6-50.60000111.2E634 N635 L640 H641E634-T638 PolarHBondContact O-N 3.1Å; E634-T638 PolarHBondContact O-OG1 3.48Å; N635-T638 PolarHBondContact O-N 3.19Å; T638-L640 VanDerWaalsContact C-N 3.28Å; T638-L640 PolarHBondContact O-N 2.96Å; T638-H641 PolarHBondContact O-N 3.43Å
639Y46.4Very low53.9Low201 Ų201117.5 Ų117.579%0.78859%0.585SS**Hα-helixtrans-67.1-25.8174-71.5-70000113.8N635 Q637N635-Y639 WeakPolarHBondContact O-CD2 3.22Å; N635-Y639 PolarHBondContact O-N 2.73Å; Q637-Y639 VanDerWaalsContact C-N 3.33Å; Q637-Y639 PolarHBondContact O-N 3.3Å
640L46.9Very low52Low150 Ų150117.3 Ų117.379%0.78559%0.59SS**Hα-helixtrans-82.7-17.8176.5-74.4166000113.1S636 Q637 T638S636-L640 WeakPolarHBondContact O-CG 3.31Å; S636-L640 PolarHBondContact O-N 3.05Å; Q637-L640 PolarHBondContact O-N 3.01Å; Q637-L640 VanDerWaalsContact O-N 3.09Å; T638-L640 VanDerWaalsContact C-N 3.28Å; T638-L640 PolarHBondContact O-N 2.96Å
641H39.7Very low50.1Low162 Ų162121 Ų12175%0.7560%0.602SS**SBendtrans-103.76.9-172.5-128.4-54.8000114.9Q637 T638 P643Q637-H641 PolarHBondContact O-N 2.64Å; Q637-H641 VanDerWaalsContact O-N 3.1Å; T638-H641 PolarHBondContact O-N 3.43Å; H641-P643 WeakPolarHBondContact O-CD 3.4Å
642D43.9Very low48.5Very low75 Ų75120.9 Ų120.940%0.40161%0.605SS.*  trans-105.474.6171.1-152.5-24.1000112.8N644 D645D642-N644 PolarHBondContact O-N 2.89Å; D642-N644 PolarHBondContact OD1-N 3.47Å; D642-D645 PolarHBondContact OD1-N 2.86Å
643P47Very low46.6Very low81 Ų81122.5 Ų122.553%0.52661%0.606SS.*THydrogen-bonded Turntrans-74.72.4173.131-33.9000113.2H641H641-P643 WeakPolarHBondContact O-CD 3.4Å
644N47.3Very low45.1Very low116 Ų116127.4 Ų127.462%0.6263%0.625SS**THydrogen-bonded Turntrans-93.4-27.7177.9-75.8-22.6000112.5D642 K647 E648D642-N644 PolarHBondContact O-N 2.89Å; D642-N644 PolarHBondContact OD1-N 3.47Å; N644-K647 PolarHBondContact O-N 3.46Å; N644-E648 PolarHBondContact O-N 2.96Å
645D44.8Very low44Very low100 Ų100125.7 Ų125.754%0.53563%0.627SS.*Hα-helixtrans-69-32.7174.8-85.7-4.6000112.6D642 K647 E648 F649D642-D645 PolarHBondContact OD1-N 2.86Å; D645-K647 VanDerWaalsContact C-N 3.29Å; D645-K647 PolarHBondContact O-N 2.95Å; D645-E648 PolarHBondContact O-N 3.35Å; D645-F649 PolarHBondContact O-N 2.89Å
646E37.5Very low42.9Very low152 Ų152125.5 Ų125.571%0.7163%0.629SS**Hα-helixtrans-65.6-31.3173.5-88.6-173.1160.700112.6D650E646-D650 PolarHBondContact O-N 3.26Å
647K39.9Very low41.9Very low155 Ų155129 Ų12967%0.67464%0.642SS**Hα-helixtrans-77.3-20.8178.1-78.6-175.7179.1172.90113.8N644 D645N644-K647 PolarHBondContact O-N 3.46Å; D645-K647 VanDerWaalsContact C-N 3.29Å; D645-K647 PolarHBondContact O-N 2.95Å
648E40.5Very low41.3Very low142 Ų142132.3 Ų132.366%0.66465%0.654SS**Hα-helixtrans-90.5-30.3175.3-149.6161.5-153.600111.6N644 D645 T652N644-E648 PolarHBondContact O-N 2.96Å; D645-E648 PolarHBondContact O-N 3.35Å; E648-T652 PolarHBondContact O-N 3.34Å; E648-T652 PolarHBondContact O-OG1 3.48Å
649F36.6Very low40.7Very low142 Ų142131.8 Ų131.862%0.62366%0.66SS**Hα-helixtrans-67.1-40.8172.9-135.3-93.9000112.5D645 K651 T652 Y653D645-F649 PolarHBondContact O-N 2.89Å; F649-K651 PolarHBondContact O-N 3.47Å; F649-T652 PolarHBondContact O-N 3.37Å; F649-Y653 HydrophobicContact CD1-CD2 4.14Å; F649-Y653 HydrophobicContact CD1-CE2 4.12Å; F649-Y653 HydrophobicContact CE1-CD2 4.08Å; F649-Y653 AromaticContact CE1-CE2 3.6Å; F649-Y653 HydrophobicContact CE1-CE2 3.6Å; F649-Y653 HydrophobicContact CZ-CE2 4.19Å
650D38.1Very low40.3Very low113 Ų113131.6 Ų131.660%0.60468%0.68SS**Hα-helixtrans-71.2-29.2179.5-97.3-10.3000113.9E646 T652 M654E646-D650 PolarHBondContact O-N 3.26Å; D650-T652 VanDerWaalsContact C-N 3.33Å; D650-M654 PolarHBondContact O-N 3.11Å
651K40.5Very low39.9Very low164 Ų164130.7 Ų130.771%0.71368%0.675SS**Hα-helixtrans-73.5-27177-80.9-174.7179177.80113.2F649F649-K651 PolarHBondContact O-N 3.47Å
652T41.1Very low39.9Very low90 Ų90129 Ų12955%0.55267%0.671SS**Hα-helixtrans-77.9-36.4-177.8-42.70000110.9E648 F649 D650 S655E648-T652 PolarHBondContact O-N 3.34Å; E648-T652 PolarHBondContact O-OG1 3.48Å; F649-T652 PolarHBondContact O-N 3.37Å; D650-T652 VanDerWaalsContact C-N 3.33Å; T652-S655 PolarHBondContact O-OG 3.37Å
653Y34.3Very low39.7Very low157 Ų157132 Ų13262%0.61669%0.686SS**Hα-helixtrans-84.3-28.5-179.9-81.6-83.8000115F649 S655F649-Y653 HydrophobicContact CD1-CD2 4.14Å; F649-Y653 HydrophobicContact CD1-CE2 4.12Å; F649-Y653 HydrophobicContact CE1-CD2 4.08Å; F649-Y653 AromaticContact CE1-CE2 3.6Å; F649-Y653 HydrophobicContact CE1-CE2 3.6Å; F649-Y653 HydrophobicContact CZ-CE2 4.19Å; Y653-S655 VanDerWaalsContact C-N 3.29Å; Y653-S655 PolarHBondContact O-N 3.11Å
654M37.5Very low39.3Very low161 Ų161135 Ų13579%0.79370%0.695SS**THydrogen-bonded Turntrans-77.4-8.2176.1-80.3-157.1174.500114.8D650D650-M654 PolarHBondContact O-N 3.11Å
655S41.4Very low38.8Very low85 Ų85136.2 Ų136.259%0.59470%0.7SS**THydrogen-bonded Turntrans-90.6-12179.674.50000114.9T652 Y653T652-S655 PolarHBondContact O-OG 3.37Å; Y653-S655 VanDerWaalsContact C-N 3.29Å; Y653-S655 PolarHBondContact O-N 3.11Å
656T38.2Very low38.4Very low93 Ų93138.6 Ų138.657%0.57171%0.711SS**THydrogen-bonded Turntrans-97.1-14-179360000115.4
657D36.4Very low38.4Very low145 Ų145137.6 Ų137.678%0.77571%0.711SS**THydrogen-bonded Turntrans-96.819-178.7-83.6-6.8000114.9
658K39.3Very low38.3Very low199 Ų199136.3 Ų136.387%0.86571%0.713SS**THydrogen-bonded Turntrans-125.823.4169-79.4-167177.4-179.80114.9
659A36.6Very low38.1Very low85 Ų85135.8 Ų135.870%0.70272%0.718SS**  trans-131.751.5173.700000112.8
660T37.9Very low38.3Very low196 Ų196135.3 Ų135.3100%1.20273%0.726SS**  trans-154.30152.746.20000107

Retrieved 660 of 660 residues in 1175.6 ms (Link to these results)

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