A0A5K4EU96_SCHMA Loading...

Putative solute carrier family 33 (Acetyl-CoA transporter)

AlphaFold DB , UniProt , Accession A0A5K4EU96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 767 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
1M90.3Very high93.3Very high80 Ų8028.9 Ų28.939%0.39415%0.146SC..  0-66.40-164.662.485.500112.1L3 Y4 I5 C149 V152 L465M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.45Å; M1-Y4 WeakPolarHBondContact O-CA 3.44Å; M1-Y4 WeakPolarHBondContact O-CB 3.5Å; M1-Y4 PolarHBondContact O-N 3.26Å; M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 PolarHBondContact O-N 3.25Å; M1-C149 HydrophobicContact CE-CB 4.27Å; M1-C149 HydrophobicContact SD-CB 4.34Å; M1-C149 VanDerWaalsContact SD-O 3.4Å; M1-V152 HydrophobicContact CE-CB 4.03Å; M1-V152 HydrophobicContact CE-CG1 4.07Å; M1-V152 HydrophobicContact SD-CB 4.14Å; M1-V152 HydrophobicContact SD-CG1 4.16Å; M1-L465 HydrophobicContact CE-CD2 4.27Å
2I93.1Very high93.1Very high120 Ų12026.5 Ų26.562%0.61513%0.134SC*.Hα-helixtrans-53-43.9-176.3-65170.4000113.1Y4 I5 L6I2-Y4 VanDerWaalsContact C-N 3.31Å; I2-Y4 PolarHBondContact O-N 2.8Å; I2-I5 WeakPolarHBondContact O-CA 3.47Å; I2-I5 WeakPolarHBondContact O-CB 3.48Å; I2-I5 PolarHBondContact O-N 3.43Å; I2-I5 VanDerWaalsContact O-N 3.09Å; I2-L6 HydrophobicContact CG2-CD1 4.35Å; I2-L6 PolarHBondContact O-N 3.07Å
3L93.9Very high93.1Very high25 Ų2524.5 Ų24.513%0.13112%0.124CC..Hα-helixtrans-60.7-38.4177.2-67.6171.7000113.4M1 L6 Q7 L68 V130 W133 L209M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.45Å; L3-L6 PolarHBondContact O-N 3.18Å; L3-Q7 PolarHBondContact O-N 3.39Å; L3-L68 HydrophobicContact CD1-CD2 3.91Å; L3-L68 HydrophobicContact CD2-CD1 4.37Å; L3-L68 HydrophobicContact CD2-CD2 4.26Å; L3-V130 HydrophobicContact CB-CG1 3.92Å; L3-V130 HydrophobicContact CB-CG2 4.01Å; L3-V130 HydrophobicContact CD1-CG1 4.49Å; L3-V130 HydrophobicContact CD1-CG2 4.28Å; L3-W133 HydrophobicContact CD1-CE3 3.79Å; L3-W133 HydrophobicContact CD1-CZ3 3.58Å; L3-L209 HydrophobicContact CD1-CD1 4.01Å; L3-L209 HydrophobicContact CD2-CD1 3.64Å; L3-L209 HydrophobicContact CG-CD1 4.26Å
4Y94.3Very high92.9Very high7 Ų723.9 Ų23.93%0.02712%0.123CC..Hα-helixtrans-70.1-33.5174.7-70.5-59000112.2M1 I2 Q7 G8 V130 D131 A134 C149 N150 G153 Q154M1-Y4 WeakPolarHBondContact O-CA 3.44Å; M1-Y4 WeakPolarHBondContact O-CB 3.5Å; M1-Y4 PolarHBondContact O-N 3.26Å; I2-Y4 VanDerWaalsContact C-N 3.31Å; I2-Y4 PolarHBondContact O-N 2.8Å; Y4-Q7 PolarHBondContact O-N 3.22Å; Y4-G8 PolarHBondContact O-N 3.19Å; Y4-G8 VanDerWaalsContact O-N 3.1Å; Y4-V130 HydrophobicContact CD1-CG1 3.85Å; Y4-V130 HydrophobicContact CD2-CG1 4.36Å; Y4-V130 HydrophobicContact CE1-CB 4.35Å; Y4-V130 HydrophobicContact CE1-CG1 3.49Å; Y4-V130 VanDerWaalsContact CE1-CG1 3.49Å; Y4-V130 HydrophobicContact CE2-CG1 4.06Å; Y4-V130 HydrophobicContact CG-CG1 4.27Å; Y4-D131 WeakPolarHBondContact CE1-OD1 3.39Å; Y4-D131 PolarHBondContact OH-OD1 3.31Å; Y4-A134 HydrophobicContact CE2-CB 4.33Å; Y4-A134 WeakPolarHBondContact OH-CB 2.91Å; Y4-C149 WeakPolarHBondContact CB-O 3.27Å; Y4-C149 HydrophobicContact CD2-CB 3.93Å; Y4-C149 WeakPolarHBondContact CD2-O 3.48Å; Y4-C149 HydrophobicContact CE2-CB 4.06Å; Y4-N150 HydrophobicContact CD1-CB 4.21Å; Y4-N150 HydrophobicContact CD2-CB 4.27Å; Y4-N150 HydrophobicContact CE1-CB 3.83Å; Y4-N150 WeakPolarHBondContact CE1-ND2 3.22Å; Y4-N150 HydrophobicContact CE2-CB 3.89Å; Y4-N150 HydrophobicContact CG-CB 4.41Å; Y4-G153 VanDerWaalsContact C-C 3.47Å; Y4-G153 CarbonylContact O-C 3.43Å; Y4-Q154 HydrophobicContact CD1-CG 4.29Å; Y4-Q154 WeakPolarHBondContact O-CA 3.35Å; Y4-Q154 PolarHBondContact O-N 2.97Å
5I95.3Very high92.5Very high40 Ų4023.9 Ų23.921%0.20513%0.128CC..Hα-helixtrans-60.6-49.5170.5-63173.1000110.3M1 I2 Q7 G8 I9 G153 I156 G157M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 PolarHBondContact O-N 3.25Å; I2-I5 WeakPolarHBondContact O-CA 3.47Å; I2-I5 WeakPolarHBondContact O-CB 3.48Å; I2-I5 PolarHBondContact O-N 3.43Å; I2-I5 VanDerWaalsContact O-N 3.09Å; I5-Q7 VanDerWaalsContact C-N 3.31Å; I5-Q7 PolarHBondContact O-N 2.96Å; I5-G8 PolarHBondContact O-N 3.01Å; I5-G8 VanDerWaalsContact O-N 3.11Å; I5-I9 PolarHBondContact O-N 3.14Å; I5-G153 VanDerWaalsContact CA-O 3.22Å; I5-G153 WeakPolarHBondContact CA-O 3.5Å; I5-I156 HydrophobicContact CD1-CG2 4.33Å; I5-I156 HydrophobicContact CG1-CB 4.34Å; I5-I156 HydrophobicContact CG1-CG2 4.31Å; I5-I156 HydrophobicContact CG2-CG2 4.22Å; I5-G157 VanDerWaalsContact O-CA 3.28Å; I5-G157 WeakPolarHBondContact O-CA 3.41Å
6L95.5Very high92.3Very high4 Ų422.4 Ų22.42%0.02112%0.12CC..Hα-helixtrans-59.8-42.9178.1-69.1173.2000111.4I2 L3 G8 I9 P10 W198 T201 F202 T205I2-L6 HydrophobicContact CG2-CD1 4.35Å; I2-L6 PolarHBondContact O-N 3.07Å; L3-L6 PolarHBondContact O-N 3.18Å; L6-G8 VanDerWaalsContact C-N 3.27Å; L6-G8 PolarHBondContact O-N 3.08Å; L6-I9 WeakPolarHBondContact O-CB 3.44Å; L6-I9 PolarHBondContact O-N 3.35Å; L6-P10 WeakPolarHBondContact O-CD 3.15Å; L6-W198 HydrophobicContact CD2-CE3 4.43Å; L6-W198 HydrophobicContact CD2-CZ3 4.06Å; L6-T201 HydrophobicContact CD2-CG2 4.49Å; L6-F202 HydrophobicContact CB-CE1 3.95Å; L6-F202 HydrophobicContact CB-CE2 4.44Å; L6-F202 HydrophobicContact CB-CZ 3.81Å; L6-F202 HydrophobicContact CD2-CD2 4.08Å; L6-F202 HydrophobicContact CD2-CE1 4.45Å; L6-F202 HydrophobicContact CD2-CE2 3.91Å; L6-F202 HydrophobicContact CD2-CG 4.46Å; L6-F202 HydrophobicContact CD2-CZ 4.11Å; L6-F202 VanDerWaalsContact O-CZ 3.25Å; L6-F202 WeakPolarHBondContact O-CZ 3.46Å; L6-T205 HydrophobicContact CD1-CG2 4.38Å; L6-T205 WeakPolarHBondContact CD1-OG1 3.39Å
7Q92.7Very high92.1Very high1 Ų121.1 Ų21.11%0.00511%0.113CC..Hα-helixtrans-58.2-37.6175.6-172.8-164.8-23.700113.1L3 Y4 I5 I9 P10 I11 D127 Q154L3-Q7 PolarHBondContact O-N 3.39Å; Y4-Q7 PolarHBondContact O-N 3.22Å; I5-Q7 VanDerWaalsContact C-N 3.31Å; I5-Q7 PolarHBondContact O-N 2.96Å; Q7-I9 PolarHBondContact O-N 3.01Å; Q7-P10 WeakPolarHBondContact O-CD 3.18Å; Q7-I11 HydrophobicContact CG-CD1 4.49Å; Q7-I11 WeakPolarHBondContact O-CG1 3.49Å; Q7-D127 VanDerWaalsContact CD-OD1 3.27Å; Q7-D127 HydrophobicContact CG-CB 4.41Å; Q7-D127 VanDerWaalsContact NE2-CG 3.29Å; Q7-D127 PolarHBondContact NE2-OD1 3.01Å; Q7-D127 PolarHBondContact OE1-OD1 3.01Å; Q7-Q154 VanDerWaalsContact OE1-NE2 3.15Å
8G91.6Very high91.5Very high0 Ų021.7 Ų21.70%012%0.118CC..Hα-helixtrans-65.2-22.817700000113.9Y4 I5 L6 I11 G12 Q154 G157 Y158Y4-G8 PolarHBondContact O-N 3.19Å; Y4-G8 VanDerWaalsContact O-N 3.1Å; I5-G8 PolarHBondContact O-N 3.01Å; I5-G8 VanDerWaalsContact O-N 3.11Å; L6-G8 VanDerWaalsContact C-N 3.27Å; L6-G8 PolarHBondContact O-N 3.08Å; G8-I11 PolarHBondContact O-N 3.45Å; G8-G12 PolarHBondContact O-N 3.13Å; G8-Q154 WeakPolarHBondContact CA-O 3.28Å; G8-G157 VanDerWaalsContact C-C 3.46Å; G8-G157 CarbonylContact O-C 3.36Å; G8-Y158 VanDerWaalsContact O-CA 3.31Å; G8-Y158 WeakPolarHBondContact O-CA 3.42Å; G8-Y158 PolarHBondContact O-N 2.92Å
9I95.6Very high91Very high0 Ų024.4 Ų24.40%013%0.129CC..Hα-helixtrans-66.1-55.6-176.6-60.7-64.9000112.2I5 L6 Q7 I11 G12 L13 G157 T160 A161 W198 F202I5-I9 PolarHBondContact O-N 3.14Å; L6-I9 WeakPolarHBondContact O-CB 3.44Å; L6-I9 PolarHBondContact O-N 3.35Å; Q7-I9 PolarHBondContact O-N 3.01Å; I9-I11 PolarHBondContact O-N 3.45Å; I9-G12 PolarHBondContact O-N 3.48Å; I9-L13 HydrophobicContact CG2-CD1 3.99Å; I9-L13 HydrophobicContact CG2-CG 4.42Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.5Å; I9-G157 WeakPolarHBondContact CD1-O 3.11Å; I9-T160 HydrophobicContact CD1-CG2 4.31Å; I9-A161 HydrophobicContact CB-CB 4.35Å; I9-A161 HydrophobicContact CD1-CB 3.97Å; I9-A161 HydrophobicContact CG2-CB 4.12Å; I9-A161 WeakPolarHBondContact O-CB 3.35Å; I9-W198 HydrophobicContact CB-CE3 4.45Å; I9-W198 HydrophobicContact CD1-CD2 3.96Å; I9-W198 HydrophobicContact CD1-CE3 4.04Å; I9-W198 HydrophobicContact CD1-CH2 3.44Å; I9-W198 VanDerWaalsContact CD1-CH2 3.44Å; I9-W198 HydrophobicContact CD1-CZ2 3.34Å; I9-W198 HydrophobicContact CD1-CZ3 3.79Å; I9-W198 HydrophobicContact CG1-CD2 4.04Å; I9-W198 HydrophobicContact CG1-CE3 3.77Å; I9-W198 HydrophobicContact CG1-CH2 3.88Å; I9-W198 HydrophobicContact CG1-CZ2 4.15Å; I9-W198 HydrophobicContact CG1-CZ3 3.68Å; I9-W198 HydrophobicContact CG2-CB 4.18Å; I9-W198 HydrophobicContact CG2-CD2 3.71Å; I9-W198 HydrophobicContact CG2-CE3 4.05Å; I9-W198 HydrophobicContact CG2-CG 3.74Å; I9-F202 HydrophobicContact CB-CE2 4.14Å; I9-F202 HydrophobicContact CB-CZ 4.46Å; I9-F202 HydrophobicContact CG2-CE2 4.13Å
10P93.7Very high90.6Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-51-41.8171.4-32.437.5000113.8L6 Q7 L13 S14 I75 L119 A123 F202L6-P10 WeakPolarHBondContact O-CD 3.15Å; Q7-P10 WeakPolarHBondContact O-CD 3.18Å; P10-L13 PolarHBondContact O-N 2.99Å; P10-S14 PolarHBondContact O-N 3.03Å; P10-S14 PolarHBondContact O-OG 3.4Å; P10-I75 HydrophobicContact CG-CG2 4.22Å; P10-L119 HydrophobicContact CB-CD1 4.49Å; P10-L119 HydrophobicContact CB-CD2 4.28Å; P10-L119 HydrophobicContact CB-CG 4.06Å; P10-L119 HydrophobicContact CG-CD1 4.39Å; P10-L119 HydrophobicContact CG-CG 4.48Å; P10-A123 HydrophobicContact CB-CB 3.87Å; P10-A123 HydrophobicContact CG-CB 4.03Å; P10-F202 HydrophobicContact CG-CZ 4.24Å
11I89.8Confident90.1Very high41 Ų4122.5 Ų22.521%0.2112%0.119CC..Hα-helixtrans-67.5-44.2-177.6-54.6172.8000110.6Q7 G8 I9 S14 A15 F43 Y158Q7-I11 HydrophobicContact CG-CD1 4.49Å; Q7-I11 WeakPolarHBondContact O-CG1 3.49Å; G8-I11 PolarHBondContact O-N 3.45Å; I9-I11 PolarHBondContact O-N 3.45Å; I11-S14 PolarHBondContact O-N 3.17Å; I11-A15 PolarHBondContact O-N 2.87Å; I11-A15 VanDerWaalsContact O-N 3.12Å; I11-F43 HydrophobicContact CD1-CE1 4.19Å; I11-F43 HydrophobicContact CD1-CE2 4.34Å; I11-F43 HydrophobicContact CD1-CZ 3.75Å; I11-F43 HydrophobicContact CG1-CE2 4.01Å; I11-F43 HydrophobicContact CG1-CZ 3.8Å; I11-Y158 HydrophobicContact CB-CD2 4.22Å; I11-Y158 HydrophobicContact CG2-CD2 3.73Å; I11-Y158 HydrophobicContact CG2-CE2 4.03Å
12G90.9Very high89.3Confident0 Ų023.8 Ų23.80%012%0.124CC..Hα-helixtrans-67.6-38.7177.100000113.1G8 I9 S14 A15 S16G8-G12 PolarHBondContact O-N 3.13Å; I9-G12 PolarHBondContact O-N 3.48Å; G12-S14 VanDerWaalsContact C-N 3.35Å; G12-A15 PolarHBondContact O-N 2.78Å; G12-A15 VanDerWaalsContact O-N 3.15Å; G12-S16 PolarHBondContact O-N 2.88Å; G12-S16 VanDerWaalsContact O-N 3.14Å
13L94.2Very high87.9Confident0 Ų022.5 Ų22.50%013%0.126CC..Hα-helixtrans-62-42173.8-77173.2000111.3I9 P10 A15 S16 L79 F116 A161 F191 F194 L195I9-L13 HydrophobicContact CG2-CD1 3.99Å; I9-L13 HydrophobicContact CG2-CG 4.42Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.5Å; P10-L13 PolarHBondContact O-N 2.99Å; L13-A15 VanDerWaalsContact C-N 3.28Å; L13-A15 PolarHBondContact O-N 3.43Å; L13-S16 PolarHBondContact O-N 3.02Å; L13-S16 PolarHBondContact O-OG 3.08Å; L13-L79 HydrophobicContact CD1-CD2 3.7Å; L13-F116 HydrophobicContact CB-CE1 4.06Å; L13-A161 HydrophobicContact CD2-CB 4.5Å; L13-A161 HydrophobicContact CG-CB 4.01Å; L13-F191 HydrophobicContact CD2-CE1 4.19Å; L13-F194 HydrophobicContact CD2-CD1 3.83Å; L13-F194 HydrophobicContact CD2-CE1 3.72Å; L13-L195 HydrophobicContact CD1-CD2 3.65Å; L13-L195 HydrophobicContact CD2-CD2 3.91Å; L13-L195 HydrophobicContact CG-CD2 4.39Å
14S90.1Very high86.3Confident16 Ų1622 Ų2211%0.11212%0.124CC..Hα-helixtrans-62.6-35.8174.2-62.60000112P10 I11 G12 P18 F36 F116P10-S14 PolarHBondContact O-N 3.03Å; P10-S14 PolarHBondContact O-OG 3.4Å; I11-S14 PolarHBondContact O-N 3.17Å; G12-S14 VanDerWaalsContact C-N 3.35Å; S14-P18 WeakPolarHBondContact O-CD 3.4Å; S14-F36 VanDerWaalsContact O-CE1 3.28Å; S14-F36 WeakPolarHBondContact O-CE1 3.41Å; S14-F116 WeakPolarHBondContact OG-CD1 3.09Å
15A86.2Confident84.2Confident24 Ų2432.1 Ų32.120%0.19816%0.164CC..Hα-helixtrans-73.1-24.5179.600000114I11 G12 L13 Y158 F162I11-A15 PolarHBondContact O-N 2.87Å; I11-A15 VanDerWaalsContact O-N 3.12Å; G12-A15 PolarHBondContact O-N 2.78Å; G12-A15 VanDerWaalsContact O-N 3.15Å; L13-A15 VanDerWaalsContact C-N 3.28Å; L13-A15 PolarHBondContact O-N 3.43Å; A15-Y158 HydrophobicContact CB-CE2 3.61Å; A15-Y158 WeakPolarHBondContact CB-OH 3.35Å; A15-F162 HydrophobicContact CB-CD1 4.31Å; A15-F162 HydrophobicContact CB-CD2 4.47Å; A15-F162 HydrophobicContact CB-CG 4.28Å
16S89.1Confident82Confident0 Ų039.9 Ų39.90%019%0.192CC..Hα-helixtrans-70.4-33.3178.873.10000112.8G12 L13 F19 M20G12-S16 PolarHBondContact O-N 2.88Å; G12-S16 VanDerWaalsContact O-N 3.14Å; L13-S16 PolarHBondContact O-N 3.02Å; L13-S16 PolarHBondContact O-OG 3.08Å; S16-F19 WeakPolarHBondContact O-CB 3.32Å; S16-F19 PolarHBondContact O-N 2.81Å; S16-M20 VanDerWaalsContact O-CG 3.26Å; S16-M20 WeakPolarHBondContact O-CG 3.32Å; S16-M20 PolarHBondContact O-N 3.45Å
17I89Confident80Confident1 Ų140.6 Ų40.61%0.00520%0.197CC..Hα-helixtrans-59.7-56.8-177.7-62.8-57.2000112.5F19 M20 L21 F36 L112 F116 F191I17-F19 PolarHBondContact O-N 3.21Å; I17-M20 PolarHBondContact O-N 3.48Å; I17-M20 VanDerWaalsContact O-N 3.13Å; I17-L21 HydrophobicContact CG2-CD1 3.95Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 WeakPolarHBondContact O-CG 3.47Å; I17-L21 PolarHBondContact O-N 3.23Å; I17-F36 HydrophobicContact CB-CD1 4.2Å; I17-F36 HydrophobicContact CB-CE1 3.65Å; I17-F36 HydrophobicContact CB-CE2 4.26Å; I17-F36 HydrophobicContact CB-CZ 3.66Å; I17-F36 HydrophobicContact CG1-CE1 4.18Å; I17-F36 HydrophobicContact CG1-CE2 4.3Å; I17-F36 HydrophobicContact CG1-CZ 3.72Å; I17-F36 HydrophobicContact CG2-CD1 3.94Å; I17-F36 HydrophobicContact CG2-CD2 3.96Å; I17-F36 HydrophobicContact CG2-CE1 3.81Å; I17-F36 HydrophobicContact CG2-CE2 3.84Å; I17-F36 HydrophobicContact CG2-CG 4Å; I17-F36 HydrophobicContact CG2-CZ 3.74Å; I17-L112 HydrophobicContact CD1-CD2 4.17Å; I17-L112 HydrophobicContact CG1-CD2 4.31Å; I17-L112 HydrophobicContact CG2-CD2 3.48Å; I17-L112 VanDerWaalsContact CG2-CD2 3.48Å; I17-F116 HydrophobicContact CD1-CE2 4.43Å; I17-F116 HydrophobicContact CD1-CZ 4.17Å; I17-F116 HydrophobicContact CG1-CE1 4.23Å; I17-F116 HydrophobicContact CG1-CE2 4.24Å; I17-F116 HydrophobicContact CG1-CZ 3.89Å; I17-F191 HydrophobicContact CD1-CE2 3.41Å; I17-F191 VanDerWaalsContact CD1-CE2 3.41Å; I17-F191 HydrophobicContact CD1-CZ 3.57Å
18P81.6Confident78.1Confident31 Ų3142.3 Ų42.320%0.20121%0.214CC..Hα-helixtrans-57.3-36.2177.4-26.435.4000113.1S14 L21 Q22 Q33 F36S14-P18 WeakPolarHBondContact O-CD 3.4Å; P18-L21 PolarHBondContact O-N 3.25Å; P18-Q22 WeakPolarHBondContact O-CG 3.4Å; P18-Q22 PolarHBondContact O-N 3.39Å; P18-Q33 HydrophobicContact CB-CG 4.43Å; P18-F36 HydrophobicContact CG-CD1 3.78Å; P18-F36 HydrophobicContact CG-CE1 4.24Å
19F81.8Confident76.6Confident73 Ų7345 Ų4532%0.3223%0.233SC..Hα-helixtrans-64.4-43.3177.5-173.1-89.4000111.9S16 I17 L21 Q22 S23 F162 L166 A450S16-F19 WeakPolarHBondContact O-CB 3.32Å; S16-F19 PolarHBondContact O-N 2.81Å; I17-F19 PolarHBondContact O-N 3.21Å; F19-L21 VanDerWaalsContact C-N 3.33Å; F19-L21 PolarHBondContact O-N 2.96Å; F19-Q22 PolarHBondContact O-N 3.47Å; F19-S23 PolarHBondContact O-N 2.82Å; F19-F162 HydrophobicContact CB-CE2 3.8Å; F19-F162 HydrophobicContact CB-CZ 4.12Å; F19-F162 HydrophobicContact CD2-CE2 4.49Å; F19-F162 HydrophobicContact CD2-CZ 4.21Å; F19-F162 HydrophobicContact CG-CE2 4.05Å; F19-F162 HydrophobicContact CG-CZ 4.21Å; F19-L166 HydrophobicContact CD1-CD1 3.37Å; F19-L166 HydrophobicContact CD1-CD2 4.27Å; F19-L166 HydrophobicContact CD1-CG 4.47Å; F19-L166 HydrophobicContact CE1-CD1 3.71Å; F19-L166 HydrophobicContact CG-CD1 4.06Å; F19-A450 HydrophobicContact CE2-CB 4.05Å
20M83Confident75.3Confident9 Ų952.7 Ų52.74%0.04426%0.263CS..Hα-helixtrans-68.1-31175.2-65.1169.672.500112.8S16 I17 Q22 S23 L101 F165 L166 E169 F191S16-M20 VanDerWaalsContact O-CG 3.26Å; S16-M20 WeakPolarHBondContact O-CG 3.32Å; S16-M20 PolarHBondContact O-N 3.45Å; I17-M20 PolarHBondContact O-N 3.48Å; I17-M20 VanDerWaalsContact O-N 3.13Å; M20-Q22 VanDerWaalsContact C-N 3.35Å; M20-S23 PolarHBondContact O-N 2.87Å; M20-S23 PolarHBondContact O-OG 3.24Å; M20-L101 HydrophobicContact CB-CD2 4.19Å; M20-L101 HydrophobicContact CE-CD1 4.2Å; M20-F165 HydrophobicContact SD-CE1 3.84Å; M20-F165 HydrophobicContact SD-CZ 4.25Å; M20-L166 HydrophobicContact CG-CD2 3.64Å; M20-L166 HydrophobicContact SD-CD2 4.05Å; M20-E169 WeakPolarHBondContact CE-OE1 3.47Å; M20-E169 WeakPolarHBondContact CE-OE2 3.17Å; M20-F191 HydrophobicContact CE-CD2 4.13Å; M20-F191 HydrophobicContact CE-CE2 4.39Å; M20-F191 HydrophobicContact SD-CD2 4.43Å; M20-F191 HydrophobicContact SD-CE2 4.2Å
21L81.2Confident74.4Confident1 Ų159.6 Ų59.61%0.00530%0.296CS..Hα-helixtrans-71-30.8174.4-66.9174.9000112.2I17 P18 F19 S23 Q33 L101 V107 I109I17-L21 HydrophobicContact CG2-CD1 3.95Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 WeakPolarHBondContact O-CG 3.47Å; I17-L21 PolarHBondContact O-N 3.23Å; P18-L21 PolarHBondContact O-N 3.25Å; F19-L21 VanDerWaalsContact C-N 3.33Å; F19-L21 PolarHBondContact O-N 2.96Å; L21-S23 VanDerWaalsContact C-N 3.32Å; L21-Q33 HydrophobicContact CB-CG 4.33Å; L21-Q33 HydrophobicContact CD1-CG 4.49Å; L21-L101 HydrophobicContact CD2-CD2 4.13Å; L21-V107 HydrophobicContact CD2-CG1 4.14Å; L21-V107 HydrophobicContact CD2-CG2 4.31Å; L21-I109 HydrophobicContact CD1-CD1 3.75Å
22Q72.6Confident73.8Confident107 Ų10758.6 Ų58.650%0.529%0.294SS..Hα-helixtrans-68.9-28.8175.8-74.6172.820.200112.8P18 F19 M20 S24P18-Q22 WeakPolarHBondContact O-CG 3.4Å; P18-Q22 PolarHBondContact O-N 3.39Å; F19-Q22 PolarHBondContact O-N 3.47Å; M20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-S24 VanDerWaalsContact C-N 3.33Å; Q22-S24 PolarHBondContact O-N 2.91Å
23S63.4Low73.2Confident93 Ų9360 Ų6065%0.6530%0.3SS*.THydrogen-bonded Turntrans-79-13.3-175.970.10000114.3F19 M20 L21F19-S23 PolarHBondContact O-N 2.82Å; M20-S23 PolarHBondContact O-N 2.87Å; M20-S23 PolarHBondContact O-OG 3.24Å; L21-S23 VanDerWaalsContact C-N 3.32Å
24S60Low72.3Confident15 Ų1562.8 Ų62.811%0.10532%0.323CS..  trans-107.5115.1-170.9-60.30000111.1Q22 Y26 T27 G28Q22-S24 VanDerWaalsContact C-N 3.33Å; Q22-S24 PolarHBondContact O-N 2.91Å; S24-Y26 PolarHBondContact O-N 3.33Å; S24-T27 VanDerWaalsContact CB-OG1 3.29Å; S24-T27 WeakPolarHBondContact CB-OG1 3.37Å; S24-T27 PolarHBondContact O-N 2.98Å; S24-T27 VanDerWaalsContact O-N 3.08Å; S24-G28 PolarHBondContact O-N 3.44Å; S24-G28 VanDerWaalsContact O-N 3.15Å
25Y51.2Low71.9Confident219 Ų21964.2 Ų64.286%0.85933%0.331SS*.THydrogen-bonded Turntrans-53.3-31.4-178.1-173.9-98.3000113.4
26Y48.2Very low72Confident203 Ų20363.2 Ų63.280%0.79632%0.322SS*.THydrogen-bonded Turntrans-85.7-13-176.3-62.9-79.5000114.7S24S24-Y26 PolarHBondContact O-N 3.33Å
27T53.8Low71.6Confident19 Ų1966.3 Ų66.312%0.11734%0.344CS..THydrogen-bonded Turntrans-129.11.3-173.260.70000114.2S24 S29 V107S24-T27 VanDerWaalsContact CB-OG1 3.29Å; S24-T27 WeakPolarHBondContact CB-OG1 3.37Å; S24-T27 PolarHBondContact O-N 2.98Å; S24-T27 VanDerWaalsContact O-N 3.08Å; T27-S29 PolarHBondContact O-N 2.91Å; T27-V107 HydrophobicContact CG2-CB 4.39Å; T27-V107 HydrophobicContact CG2-CG2 3.69Å
28G53Low71.5Confident36 Ų3669.3 Ų69.337%0.37136%0.359SS..  trans-67.629179.500000116.2S24 Y30S24-G28 PolarHBondContact O-N 3.44Å; S24-G28 VanDerWaalsContact O-N 3.15Å; G28-Y30 PolarHBondContact O-N 3.45Å
29S60.8Low71.8Confident58 Ų5868 Ų6841%0.40635%0.351SS..  trans-69.4117.9170.7176.80000109.3T27 Q31 A32 Q33T27-S29 PolarHBondContact O-N 2.91Å; S29-Q31 PolarHBondContact O-N 3.42Å; S29-Q31 WeakPolarHBondContact OG-CB 3.17Å; S29-Q31 PolarHBondContact OG-N 3.05Å; S29-A32 WeakPolarHBondContact O-CB 3.49Å; S29-A32 PolarHBondContact O-N 3.25Å; S29-Q33 PolarHBondContact O-N 2.83Å
30Y68.3Low71.8Confident161 Ų16169.5 Ų69.563%0.63136%0.361SS*.Hα-helixtrans-49.5-27.8169.2-71.1-83.6000112.1G28 Q33 A34 K446G28-Y30 PolarHBondContact O-N 3.45Å; Y30-Q33 PolarHBondContact O-N 3.05Å; Y30-A34 VanDerWaalsContact O-CB 3.24Å; Y30-A34 WeakPolarHBondContact O-CB 3.26Å; Y30-A34 PolarHBondContact O-N 3.2Å; Y30-K446 PolarHBondContact OH-NZ 2.67Å
31Q73.6Confident71.9Confident145 Ų14575.3 Ų75.368%0.67838%0.383SS*.Hα-helixtrans-63.2-40.5175-168.7-177.4-5.400112.7S29 A34 T35S29-Q31 PolarHBondContact O-N 3.42Å; S29-Q31 WeakPolarHBondContact OG-CB 3.17Å; S29-Q31 PolarHBondContact OG-N 3.05Å; Q31-A34 PolarHBondContact O-N 2.92Å; Q31-T35 WeakPolarHBondContact O-CB 3.49Å; Q31-T35 PolarHBondContact O-N 3.3Å; Q31-T35 PolarHBondContact O-OG1 2.81Å
32A78.8Confident72.2Confident20 Ų2075.4 Ų75.417%0.16538%0.383CS..Hα-helixtrans-68.2-42.8178.600000111.1S29 T35 F36 I109S29-A32 WeakPolarHBondContact O-CB 3.49Å; S29-A32 PolarHBondContact O-N 3.25Å; A32-T35 PolarHBondContact O-N 3.37Å; A32-F36 WeakPolarHBondContact O-CB 3.44Å; A32-F36 PolarHBondContact O-N 3.04Å; A32-I109 HydrophobicContact CB-CD1 4.42Å; A32-I109 HydrophobicContact CB-CG1 4.09Å; A32-I109 WeakPolarHBondContact O-CG1 3.3Å
33Q77.3Confident72.8Confident30 Ų3072 Ų7214%0.1437%0.367CS..Hα-helixtrans-64.2-41.7174.3-68.5176.647.600111.8P18 L21 S29 Y30 T35 F36 S37P18-Q33 HydrophobicContact CB-CG 4.43Å; L21-Q33 HydrophobicContact CB-CG 4.33Å; L21-Q33 HydrophobicContact CD1-CG 4.49Å; S29-Q33 PolarHBondContact O-N 2.83Å; Y30-Q33 PolarHBondContact O-N 3.05Å; Q33-T35 VanDerWaalsContact C-N 3.34Å; Q33-T35 PolarHBondContact O-N 3.49Å; Q33-F36 PolarHBondContact O-N 2.78Å; Q33-S37 PolarHBondContact O-N 3.19Å
34A76Confident73.6Confident57 Ų5771.1 Ų71.147%0.47136%0.361SS..Hα-helixtrans-63-41175.600000111.5Y30 Q31 S37Y30-A34 VanDerWaalsContact O-CB 3.24Å; Y30-A34 WeakPolarHBondContact O-CB 3.26Å; Y30-A34 PolarHBondContact O-N 3.2Å; Q31-A34 PolarHBondContact O-N 2.92Å; A34-S37 WeakPolarHBondContact O-CB 3.37Å; A34-S37 PolarHBondContact O-N 2.82Å; A34-S37 PolarHBondContact O-OG 3.03Å
35T81.7Confident74.7Confident46 Ų4675.9 Ų75.928%0.28238%0.38SS..Hα-helixtrans-63.7-45.6175.7-59.10000110.9Q31 A32 Q33 S37 L38 I109 T113Q31-T35 WeakPolarHBondContact O-CB 3.49Å; Q31-T35 PolarHBondContact O-N 3.3Å; Q31-T35 PolarHBondContact O-OG1 2.81Å; A32-T35 PolarHBondContact O-N 3.37Å; Q33-T35 VanDerWaalsContact C-N 3.34Å; Q33-T35 PolarHBondContact O-N 3.49Å; T35-S37 PolarHBondContact O-N 3.14Å; T35-L38 WeakPolarHBondContact O-CB 2.99Å; T35-L38 VanDerWaalsContact O-CG 3.31Å; T35-L38 WeakPolarHBondContact O-CG 3.43Å; T35-L38 PolarHBondContact O-N 2.87Å; T35-I109 HydrophobicContact CG2-CG2 4.38Å; T35-T113 WeakPolarHBondContact O-CG2 3.27Å
36F86.9Confident76.6Confident4 Ų466.1 Ų66.12%0.01834%0.342CS..Hα-helixtrans-66.7-25.4178.1-168.5-95.1000113.1S14 I17 P18 A32 Q33 L38 V39 I109 L112 F116S14-F36 VanDerWaalsContact O-CE1 3.28Å; S14-F36 WeakPolarHBondContact O-CE1 3.41Å; I17-F36 HydrophobicContact CB-CD1 4.2Å; I17-F36 HydrophobicContact CB-CE1 3.65Å; I17-F36 HydrophobicContact CB-CE2 4.26Å; I17-F36 HydrophobicContact CB-CZ 3.66Å; I17-F36 HydrophobicContact CG1-CE1 4.18Å; I17-F36 HydrophobicContact CG1-CE2 4.3Å; I17-F36 HydrophobicContact CG1-CZ 3.72Å; I17-F36 HydrophobicContact CG2-CD1 3.94Å; I17-F36 HydrophobicContact CG2-CD2 3.96Å; I17-F36 HydrophobicContact CG2-CE1 3.81Å; I17-F36 HydrophobicContact CG2-CE2 3.84Å; I17-F36 HydrophobicContact CG2-CG 4Å; I17-F36 HydrophobicContact CG2-CZ 3.74Å; P18-F36 HydrophobicContact CG-CD1 3.78Å; P18-F36 HydrophobicContact CG-CE1 4.24Å; A32-F36 WeakPolarHBondContact O-CB 3.44Å; A32-F36 PolarHBondContact O-N 3.04Å; Q33-F36 PolarHBondContact O-N 2.78Å; F36-L38 PolarHBondContact O-N 3.49Å; F36-L38 VanDerWaalsContact O-N 3.07Å; F36-V39 HydrophobicContact CD1-CG2 4.42Å; F36-V39 HydrophobicContact CD2-CG2 4.03Å; F36-V39 HydrophobicContact CE1-CB 4.42Å; F36-V39 HydrophobicContact CE1-CG2 4.17Å; F36-V39 HydrophobicContact CE2-CG2 3.75Å; F36-V39 HydrophobicContact CG-CG2 4.37Å; F36-V39 HydrophobicContact CZ-CB 4.46Å; F36-V39 HydrophobicContact CZ-CG1 4.48Å; F36-V39 HydrophobicContact CZ-CG2 3.85Å; F36-V39 VanDerWaalsContact O-CB 3.23Å; F36-V39 WeakPolarHBondContact O-CB 3.19Å; F36-V39 WeakPolarHBondContact O-CG2 3.05Å; F36-V39 PolarHBondContact O-N 3.13Å; F36-I109 HydrophobicContact CB-CD1 3.88Å; F36-I109 HydrophobicContact CB-CG1 4.35Å; F36-I109 HydrophobicContact CD2-CD1 4.14Å; F36-I109 HydrophobicContact CG-CD1 4.34Å; F36-L112 HydrophobicContact CD2-CD2 4.18Å; F36-L112 HydrophobicContact CD2-CG 4.21Å; F36-L112 HydrophobicContact CE2-CB 4.42Å; F36-L112 HydrophobicContact CE2-CD2 4Å; F36-L112 HydrophobicContact CE2-CG 3.75Å; F36-F116 HydrophobicContact CE2-CB 3.9Å; F36-F116 HydrophobicContact CE2-CD2 4.07Å; F36-F116 AromaticContact CE2-CG 3.96Å; F36-F116 HydrophobicContact CE2-CG 3.96Å; F36-F116 HydrophobicContact CZ-CB 3.83Å; F36-F116 AromaticContact CZ-CD1 3.95Å; F36-F116 HydrophobicContact CZ-CD1 3.95Å; F36-F116 HydrophobicContact CZ-CD2 4.15Å; F36-F116 AromaticContact CZ-CG 3.71Å; F36-F116 HydrophobicContact CZ-CG 3.71Å
37S82.7Confident78.5Confident65 Ų6557.9 Ų57.946%0.45531%0.311SS..G310 helixtrans-60.2-20.2177.278.70000113.8Q33 A34 T35 V39 I40Q33-S37 PolarHBondContact O-N 3.19Å; A34-S37 WeakPolarHBondContact O-CB 3.37Å; A34-S37 PolarHBondContact O-N 2.82Å; A34-S37 PolarHBondContact O-OG 3.03Å; T35-S37 PolarHBondContact O-N 3.14Å; S37-V39 PolarHBondContact O-N 3.28Å; S37-V39 VanDerWaalsContact O-N 3.14Å; S37-I40 WeakPolarHBondContact O-CG2 3.33Å; S37-I40 PolarHBondContact O-N 3.41Å
38L85.3Confident80.2Confident63 Ų6359.9 Ų59.933%0.3333%0.329SS..G310 helixtrans-58.8-23.4173.2-63.9176.1000113T35 F36 I40 W41 T113T35-L38 WeakPolarHBondContact O-CB 2.99Å; T35-L38 VanDerWaalsContact O-CG 3.31Å; T35-L38 WeakPolarHBondContact O-CG 3.43Å; T35-L38 PolarHBondContact O-N 2.87Å; F36-L38 PolarHBondContact O-N 3.49Å; F36-L38 VanDerWaalsContact O-N 3.07Å; L38-I40 PolarHBondContact O-N 2.91Å; L38-I40 VanDerWaalsContact O-N 3.11Å; L38-W41 HydrophobicContact CD2-CD2 3.99Å; L38-W41 VanDerWaalsContact CD2-CE2 3.49Å; L38-W41 HydrophobicContact CD2-CE3 4.43Å; L38-W41 HydrophobicContact CD2-CH2 4.04Å; L38-W41 HydrophobicContact CD2-CZ2 3.53Å; L38-W41 HydrophobicContact CD2-CZ3 4.46Å; L38-W41 VanDerWaalsContact O-CB 3.29Å; L38-W41 WeakPolarHBondContact O-CB 3.47Å; L38-W41 PolarHBondContact O-N 3.47Å; L38-W41 VanDerWaalsContact O-N 3.07Å; L38-T113 HydrophobicContact CB-CG2 4.16Å
39V88.3Confident82.1Confident4 Ų460 Ų602%0.02432%0.319CS..G310 helixtrans-54.6-28.6176.3164.90000112.7F36 S37 P42 T113 F116 T120F36-V39 HydrophobicContact CD1-CG2 4.42Å; F36-V39 HydrophobicContact CD2-CG2 4.03Å; F36-V39 HydrophobicContact CE1-CB 4.42Å; F36-V39 HydrophobicContact CE1-CG2 4.17Å; F36-V39 HydrophobicContact CE2-CG2 3.75Å; F36-V39 HydrophobicContact CG-CG2 4.37Å; F36-V39 HydrophobicContact CZ-CB 4.46Å; F36-V39 HydrophobicContact CZ-CG1 4.48Å; F36-V39 HydrophobicContact CZ-CG2 3.85Å; F36-V39 VanDerWaalsContact O-CB 3.23Å; F36-V39 WeakPolarHBondContact O-CB 3.19Å; F36-V39 WeakPolarHBondContact O-CG2 3.05Å; F36-V39 PolarHBondContact O-N 3.13Å; S37-V39 PolarHBondContact O-N 3.28Å; S37-V39 VanDerWaalsContact O-N 3.14Å; V39-P42 WeakPolarHBondContact O-CD 3.08Å; V39-T113 HydrophobicContact CG2-CG2 4.1Å; V39-F116 HydrophobicContact CB-CB 4.32Å; V39-F116 HydrophobicContact CG1-CB 3.73Å; V39-F116 HydrophobicContact CG2-CB 3.56Å; V39-T120 HydrophobicContact CG1-CG2 3.51Å; V39-T120 WeakPolarHBondContact O-CB 3.46Å; V39-T120 PolarHBondContact O-OG1 3.09Å
40I83.1Confident83.6Confident104 Ų10457.2 Ų57.253%0.53330%0.299SS..G310 helixtrans-83.6-13.5-178.1-154.9164.4000113.6S37 L38 P42 F43S37-I40 WeakPolarHBondContact O-CG2 3.33Å; S37-I40 PolarHBondContact O-N 3.41Å; L38-I40 PolarHBondContact O-N 2.91Å; L38-I40 VanDerWaalsContact O-N 3.11Å; I40-P42 VanDerWaalsContact C-N 3.33Å; I40-F43 PolarHBondContact O-N 2.9Å
41W84.3Confident84.7Confident132 Ų13249.6 Ų49.650%0.527%0.269SS..Hα-helixtrans-53.1-38.5-175.5-82.422.1000115.1L38 F43 S44 F45 F117L38-W41 HydrophobicContact CD2-CD2 3.99Å; L38-W41 VanDerWaalsContact CD2-CE2 3.49Å; L38-W41 HydrophobicContact CD2-CE3 4.43Å; L38-W41 HydrophobicContact CD2-CH2 4.04Å; L38-W41 HydrophobicContact CD2-CZ2 3.53Å; L38-W41 HydrophobicContact CD2-CZ3 4.46Å; L38-W41 VanDerWaalsContact O-CB 3.29Å; L38-W41 WeakPolarHBondContact O-CB 3.47Å; L38-W41 PolarHBondContact O-N 3.47Å; L38-W41 VanDerWaalsContact O-N 3.07Å; W41-F43 PolarHBondContact O-N 3.45Å; W41-S44 WeakPolarHBondContact O-CA 3.47Å; W41-S44 WeakPolarHBondContact O-CB 3.1Å; W41-S44 PolarHBondContact O-N 3.45Å; W41-F45 HydrophobicContact CB-CD2 4.13Å; W41-F45 HydrophobicContact CB-CE2 4.07Å; W41-F45 AromaticContact CD2-CE2 3.97Å; W41-F45 HydrophobicContact CD2-CE2 3.97Å; W41-F45 AromaticContact CE3-CE2 3.74Å; W41-F45 HydrophobicContact CE3-CE2 3.74Å; W41-F45 HydrophobicContact CG-CE2 4.17Å; W41-F45 HydrophobicContact CZ3-CE2 4.42Å; W41-F45 VanDerWaalsContact O-CD2 3.24Å; W41-F45 WeakPolarHBondContact O-CD2 3.4Å; W41-F45 PolarHBondContact O-N 3.19Å; W41-F45 VanDerWaalsContact O-N 3.08Å; W41-F117 HydrophobicContact CB-CE2 4.33Å
42P88.1Confident85.6Confident3 Ų345.2 Ų45.22%0.01925%0.25CS..Hα-helixtrans-54.6-36.2176.8-28.437.1000113.7V39 I40 S44 F45 K46 W49 F117 F121 A124V39-P42 WeakPolarHBondContact O-CD 3.08Å; I40-P42 VanDerWaalsContact C-N 3.33Å; P42-S44 VanDerWaalsContact C-N 3.26Å; P42-S44 PolarHBondContact O-N 3.37Å; P42-F45 PolarHBondContact O-N 3.19Å; P42-K46 WeakPolarHBondContact O-CB 3.45Å; P42-K46 PolarHBondContact O-N 3.14Å; P42-W49 HydrophobicContact CB-CH2 4.19Å; P42-W49 WeakPolarHBondContact O-CH2 3.4Å; P42-F117 HydrophobicContact CG-CD1 4.48Å; P42-F117 HydrophobicContact CG-CD2 3.92Å; P42-F117 HydrophobicContact CG-CE1 4.24Å; P42-F117 HydrophobicContact CG-CE2 3.67Å; P42-F117 HydrophobicContact CG-CG 4.32Å; P42-F117 HydrophobicContact CG-CZ 3.84Å; P42-F121 HydrophobicContact CB-CB 4.02Å; P42-F121 HydrophobicContact CB-CD2 4.16Å; P42-F121 HydrophobicContact CG-CB 4Å; P42-F121 HydrophobicContact CG-CD2 4.47Å; P42-A124 HydrophobicContact CB-CB 4.24Å
43F83.6Confident86.2Confident36 Ų3644.5 Ų44.516%0.15824%0.244CC..Hα-helixtrans-66.8-26.3175.9-79.7-80.7000113.5I11 I40 W41 K46 T120 A123 A124 D127I11-F43 HydrophobicContact CD1-CE1 4.19Å; I11-F43 HydrophobicContact CD1-CE2 4.34Å; I11-F43 HydrophobicContact CD1-CZ 3.75Å; I11-F43 HydrophobicContact CG1-CE2 4.01Å; I11-F43 HydrophobicContact CG1-CZ 3.8Å; I40-F43 PolarHBondContact O-N 2.9Å; W41-F43 PolarHBondContact O-N 3.45Å; F43-K46 WeakPolarHBondContact O-CG 3.49Å; F43-T120 HydrophobicContact CE2-CG2 4.34Å; F43-A123 HydrophobicContact CE2-CB 4.4Å; F43-A123 HydrophobicContact CZ-CB 3.97Å; F43-A124 HydrophobicContact CD1-CB 4.03Å; F43-A124 HydrophobicContact CD2-CB 4.39Å; F43-A124 HydrophobicContact CE1-CB 4.1Å; F43-A124 HydrophobicContact CE2-CB 4.46Å; F43-A124 HydrophobicContact CG-CB 4.19Å; F43-A124 HydrophobicContact CZ-CB 4.31Å; F43-D127 HydrophobicContact CE1-CB 4.38Å
44S80Confident86.8Confident74 Ų7443.3 Ų43.352%0.51724%0.238SC..Hα-helixtrans-77.3-38.7174.6-56.50000111.8W41 P42W41-S44 WeakPolarHBondContact O-CA 3.47Å; W41-S44 WeakPolarHBondContact O-CB 3.1Å; W41-S44 PolarHBondContact O-N 3.45Å; P42-S44 VanDerWaalsContact C-N 3.26Å; P42-S44 PolarHBondContact O-N 3.37Å
45F84.1Confident87.3Confident114 Ų11441.3 Ų41.350%0.522%0.221SC..Hα-helixtrans-92.1-5.3-174.9-66.6-64.6000114.9W41 P42 L47 A48 W49W41-F45 HydrophobicContact CB-CD2 4.13Å; W41-F45 HydrophobicContact CB-CE2 4.07Å; W41-F45 AromaticContact CD2-CE2 3.97Å; W41-F45 HydrophobicContact CD2-CE2 3.97Å; W41-F45 AromaticContact CE3-CE2 3.74Å; W41-F45 HydrophobicContact CE3-CE2 3.74Å; W41-F45 HydrophobicContact CG-CE2 4.17Å; W41-F45 HydrophobicContact CZ3-CE2 4.42Å; W41-F45 VanDerWaalsContact O-CD2 3.24Å; W41-F45 WeakPolarHBondContact O-CD2 3.4Å; W41-F45 PolarHBondContact O-N 3.19Å; W41-F45 VanDerWaalsContact O-N 3.08Å; P42-F45 PolarHBondContact O-N 3.19Å; F45-L47 PolarHBondContact O-N 3.33Å; F45-A48 VanDerWaalsContact O-CB 3.23Å; F45-A48 WeakPolarHBondContact O-CB 3.29Å; F45-A48 PolarHBondContact O-N 3.33Å; F45-W49 HydrophobicContact CB-CH2 4.4Å; F45-W49 HydrophobicContact CB-CZ3 3.86Å; F45-W49 VanDerWaalsContact O-CZ3 3.26Å; F45-W49 WeakPolarHBondContact O-CZ3 3.42Å
46K90.7Very high87.6Confident15 Ų1543.5 Ų43.57%0.06523%0.23CC..G310 helixtrans-53.3-24.5-17569.6175.2179.61780115.2P42 F43 A48 W49 A50 A124 D127 I128 T591P42-K46 WeakPolarHBondContact O-CB 3.45Å; P42-K46 PolarHBondContact O-N 3.14Å; F43-K46 WeakPolarHBondContact O-CG 3.49Å; K46-A48 PolarHBondContact O-N 2.86Å; K46-W49 VanDerWaalsContact CA-CH2 3.42Å; K46-W49 VanDerWaalsContact CA-CZ2 3.49Å; K46-W49 HydrophobicContact CB-CH2 3.96Å; K46-W49 HydrophobicContact CB-CZ2 3.67Å; K46-W49 PolarHBondContact O-N 3.03Å; K46-A50 WeakPolarHBondContact O-CB 3.22Å; K46-A50 PolarHBondContact O-N 3.08Å; K46-A124 HydrophobicContact CB-CB 4.28Å; K46-D127 IonicContact NZ-OD2 3.7Å; K46-D127 PolarHBondContact NZ-OD2 3.2Å; K46-I128 HydrophobicContact CB-CD1 4.01Å; K46-I128 HydrophobicContact CB-CG1 4.38Å; K46-I128 HydrophobicContact CD-CG1 4.33Å; K46-T591 HydrophobicContact CD-CG2 4.1Å; K46-T591 HydrophobicContact CG-CG2 3.68Å
47L88.8Confident87.6Confident30 Ų3046.8 Ų46.816%0.15724%0.243CC..G310 helixtrans-56.6-31.5171.5-17661.4000113F45 W49 P51 M405 T591 L592 T595F45-L47 PolarHBondContact O-N 3.33Å; L47-W49 VanDerWaalsContact C-N 3.34Å; L47-W49 PolarHBondContact O-N 3.43Å; L47-P51 VanDerWaalsContact O-CD 3.3Å; L47-P51 WeakPolarHBondContact O-CD 3.48Å; L47-M405 HydrophobicContact CD1-CG 4.38Å; L47-M405 HydrophobicContact CD1-SD 3.49Å; L47-M405 WeakPolarHBondContact CD1-SD 3.15Å; L47-M405 HydrophobicContact CG-SD 4.02Å; L47-T591 HydrophobicContact CB-CG2 4.17Å; L47-T591 HydrophobicContact CD1-CG2 4.17Å; L47-L592 HydrophobicContact CD1-CB 3.87Å; L47-L592 HydrophobicContact CD1-CD1 3.84Å; L47-L592 HydrophobicContact CD2-CD1 3.87Å; L47-T595 HydrophobicContact CB-CG2 4.12Å; L47-T595 HydrophobicContact CD2-CG2 3.77Å
48A88.7Confident87.5Confident60 Ų6045.7 Ų45.750%0.49624%0.235SC..G310 helixtrans-64.2-36.2-177.700000112.8F45 K46 Y402F45-A48 VanDerWaalsContact O-CB 3.23Å; F45-A48 WeakPolarHBondContact O-CB 3.29Å; F45-A48 PolarHBondContact O-N 3.33Å; K46-A48 PolarHBondContact O-N 2.86Å; A48-Y402 PolarHBondContact O-OH 3.02Å
49W93Very high87.1Confident39 Ų3946.7 Ų46.715%0.14824%0.244CC..THydrogen-bonded Turntrans-109.4-3.8179.16695000114.1P42 F45 K46 L47 P51 I52 I53 F121 A124 T125P42-W49 HydrophobicContact CB-CH2 4.19Å; P42-W49 WeakPolarHBondContact O-CH2 3.4Å; F45-W49 HydrophobicContact CB-CH2 4.4Å; F45-W49 HydrophobicContact CB-CZ3 3.86Å; F45-W49 VanDerWaalsContact O-CZ3 3.26Å; F45-W49 WeakPolarHBondContact O-CZ3 3.42Å; K46-W49 VanDerWaalsContact CA-CH2 3.42Å; K46-W49 VanDerWaalsContact CA-CZ2 3.49Å; K46-W49 HydrophobicContact CB-CH2 3.96Å; K46-W49 HydrophobicContact CB-CZ2 3.67Å; K46-W49 PolarHBondContact O-N 3.03Å; L47-W49 VanDerWaalsContact C-N 3.34Å; L47-W49 PolarHBondContact O-N 3.43Å; W49-P51 VanDerWaalsContact C-N 3.32Å; W49-I52 HydrophobicContact CB-CD1 4.03Å; W49-I52 WeakPolarHBondContact O-CA 2.94Å; W49-I52 VanDerWaalsContact O-CB 3.23Å; W49-I52 WeakPolarHBondContact O-CB 3.42Å; W49-I52 PolarHBondContact O-N 3.12Å; W49-I53 PolarHBondContact O-N 3.38Å; W49-F121 HydrophobicContact CD2-CE2 4.35Å; W49-F121 HydrophobicContact CE3-CE2 4.34Å; W49-F121 AromaticContact CH2-CD2 3.92Å; W49-F121 HydrophobicContact CH2-CD2 3.92Å; W49-F121 AromaticContact CH2-CE2 3.76Å; W49-F121 HydrophobicContact CH2-CE2 3.76Å; W49-F121 AromaticContact CZ2-CD2 3.96Å; W49-F121 HydrophobicContact CZ2-CD2 3.96Å; W49-F121 AromaticContact CZ2-CE2 3.76Å; W49-F121 HydrophobicContact CZ2-CE2 3.76Å; W49-F121 HydrophobicContact CZ2-CZ 4.47Å; W49-F121 HydrophobicContact CZ3-CE2 4.06Å; W49-A124 HydrophobicContact CZ2-CB 4.12Å; W49-T125 PolarHBondContact NE1-OG1 2.98Å; W49-T125 VanDerWaalsContact NE1-OG1 3.12Å
50A92.3Very high86.6Confident0 Ų051.4 Ų51.40%027%0.265CS..Hα-helixtrans-54.3-40.617600000114.1K46 I52 I53 D54 I128 T588 T591K46-A50 WeakPolarHBondContact O-CB 3.22Å; K46-A50 PolarHBondContact O-N 3.08Å; A50-I52 PolarHBondContact O-N 2.93Å; A50-I53 WeakPolarHBondContact O-CB 2.99Å; A50-I53 PolarHBondContact O-N 3.24Å; A50-I53 VanDerWaalsContact O-N 3.12Å; A50-D54 PolarHBondContact O-N 3.49Å; A50-D54 VanDerWaalsContact O-N 3.1Å; A50-I128 HydrophobicContact CB-CD1 3.88Å; A50-I128 HydrophobicContact CB-CG1 4.14Å; A50-I128 HydrophobicContact CB-CG2 3.85Å; A50-T588 PolarHBondContact O-OG1 2.84Å; A50-T588 VanDerWaalsContact O-OG1 3.12Å; A50-T591 HydrophobicContact CB-CG2 3.95Å
51P91.4Very high86.5Confident0 Ų049.1 Ų49.10%025%0.254CS..Hα-helixtrans-60.3-31.4172.6-28.338.3000114.2L47 W49 D54 S55 L398 T401 Y402 M405 T588L47-P51 VanDerWaalsContact O-CD 3.3Å; L47-P51 WeakPolarHBondContact O-CD 3.48Å; W49-P51 VanDerWaalsContact C-N 3.32Å; P51-D54 PolarHBondContact O-N 2.65Å; P51-S55 WeakPolarHBondContact O-CB 3.3Å; P51-S55 PolarHBondContact O-N 3.17Å; P51-S55 PolarHBondContact O-OG 3.38Å; P51-L398 HydrophobicContact CB-CD1 4.49Å; P51-T401 HydrophobicContact CB-CG2 3.83Å; P51-Y402 HydrophobicContact CB-CD1 4.06Å; P51-Y402 HydrophobicContact CB-CD2 3.83Å; P51-Y402 HydrophobicContact CB-CE1 3.93Å; P51-Y402 HydrophobicContact CB-CE2 3.72Å; P51-Y402 HydrophobicContact CB-CG 3.99Å; P51-Y402 HydrophobicContact CG-CD1 3.75Å; P51-Y402 HydrophobicContact CG-CD2 4.44Å; P51-Y402 HydrophobicContact CG-CE1 3.57Å; P51-Y402 HydrophobicContact CG-CE2 4.3Å; P51-Y402 HydrophobicContact CG-CG 4.17Å; P51-M405 HydrophobicContact CG-CE 4.28Å; P51-M405 HydrophobicContact CG-SD 3.7Å; P51-T588 WeakPolarHBondContact CA-OG1 3.26Å; P51-T588 HydrophobicContact CG-CG2 3.8Å
52I92.1Very high86.4Confident54 Ų5443 Ų4328%0.27723%0.232SC..Hα-helixtrans-66.7-44.6176.1-57.9173.1000109.4W49 A50 D54 S55 I56 W67 L398W49-I52 HydrophobicContact CB-CD1 4.03Å; W49-I52 WeakPolarHBondContact O-CA 2.94Å; W49-I52 VanDerWaalsContact O-CB 3.23Å; W49-I52 WeakPolarHBondContact O-CB 3.42Å; W49-I52 PolarHBondContact O-N 3.12Å; A50-I52 PolarHBondContact O-N 2.93Å; I52-D54 VanDerWaalsContact C-N 3.26Å; I52-D54 PolarHBondContact O-N 3.16Å; I52-S55 PolarHBondContact O-N 2.84Å; I52-I56 HydrophobicContact CG2-CD1 3.74Å; I52-I56 HydrophobicContact CG2-CG1 4.2Å; I52-I56 WeakPolarHBondContact O-CB 3.34Å; I52-I56 PolarHBondContact O-N 3.02Å; I52-W67 HydrophobicContact CG2-CH2 4.48Å; I52-W67 HydrophobicContact CG2-CZ2 4.2Å; I52-L398 HydrophobicContact CB-CD1 4.32Å; I52-L398 HydrophobicContact CG1-CD1 3.81Å
53I92.3Very high86.2Confident5 Ų544.3 Ų44.33%0.02624%0.237CC..Hα-helixtrans-62.2-35178.4-54.5-53000111.7W49 A50 W67 T125 I128 A129W49-I53 PolarHBondContact O-N 3.38Å; A50-I53 WeakPolarHBondContact O-CB 2.99Å; A50-I53 PolarHBondContact O-N 3.24Å; A50-I53 VanDerWaalsContact O-N 3.12Å; I53-W67 HydrophobicContact CB-CG 4.49Å; I53-W67 HydrophobicContact CD1-CD2 3.35Å; I53-W67 HydrophobicContact CD1-CE3 3.43Å; I53-W67 VanDerWaalsContact CD1-CE3 3.43Å; I53-W67 HydrophobicContact CD1-CG 3.89Å; I53-W67 HydrophobicContact CD1-CH2 3.92Å; I53-W67 HydrophobicContact CD1-CZ2 3.86Å; I53-W67 HydrophobicContact CD1-CZ3 3.71Å; I53-W67 HydrophobicContact CG2-CB 4.02Å; I53-W67 HydrophobicContact CG2-CD2 4.41Å; I53-W67 HydrophobicContact CG2-CG 3.78Å; I53-W67 VanDerWaalsContact O-CD1 3.31Å; I53-W67 PolarHBondContact O-NE1 2.83Å; I53-T125 HydrophobicContact CD1-CG2 3.57Å; I53-T125 HydrophobicContact CG1-CG2 4.24Å; I53-I128 HydrophobicContact CB-CG2 3.95Å; I53-I128 HydrophobicContact CG1-CD1 4.14Å; I53-I128 HydrophobicContact CG1-CG2 4.27Å; I53-I128 HydrophobicContact CG2-CB 4.44Å; I53-I128 HydrophobicContact CG2-CG2 3.9Å; I53-A129 HydrophobicContact CG2-CB 4.29Å
54D88.9Confident86.4Confident4 Ų442.9 Ų42.92%0.02123%0.23CC..Hα-helixtrans-79.3-31.8178.9-92.8-37000115A50 P51 I52 R63 R64 T401 V585 G587 T588A50-D54 PolarHBondContact O-N 3.49Å; A50-D54 VanDerWaalsContact O-N 3.1Å; P51-D54 PolarHBondContact O-N 2.65Å; I52-D54 VanDerWaalsContact C-N 3.26Å; I52-D54 PolarHBondContact O-N 3.16Å; D54-R63 IonicContact OD1-CZ 3.59Å; D54-R63 IonicContact OD1-NE 3.7Å; D54-R63 IonicContact OD1-NH2 2.63Å; D54-R63 PolarHBondContact OD1-NH2 3.45Å; D54-R64 IonicContact OD1-CZ 2.82Å; D54-R64 IonicContact OD1-NH1 3.53Å; D54-R64 PolarHBondContact OD1-NH1 3.29Å; D54-R64 IonicContact OD1-NH2 2.81Å; D54-T401 HydrophobicContact CB-CG2 4.03Å; D54-V585 VanDerWaalsContact OD2-C 3.23Å; D54-G587 PolarHBondContact OD2-N 2.94Å; D54-T588 WeakPolarHBondContact OD2-CA 3.36Å; D54-T588 WeakPolarHBondContact OD2-CB 3Å; D54-T588 PolarHBondContact OD2-N 3.37Å; D54-T588 PolarHBondContact OD2-OG1 3Å
55S86.4Confident86.9Confident16 Ų1639.5 Ų39.511%0.11221%0.206CC..Hα-helixtrans-98.8-32.2-171.457.50000114.1P51 I52 L398P51-S55 WeakPolarHBondContact O-CB 3.3Å; P51-S55 PolarHBondContact O-N 3.17Å; P51-S55 PolarHBondContact O-OG 3.38Å; I52-S55 PolarHBondContact O-N 2.84Å; S55-L398 WeakPolarHBondContact OG-CD1 3.46Å
56I88.5Confident87.3Confident92 Ų9235.3 Ų35.347%0.47219%0.19SC..  trans-96.9107.2179.6-54.9-172.6000108.2I52 W67I52-I56 HydrophobicContact CG2-CD1 3.74Å; I52-I56 HydrophobicContact CG2-CG1 4.2Å; I52-I56 WeakPolarHBondContact O-CB 3.34Å; I52-I56 PolarHBondContact O-N 3.02Å; I56-W67 HydrophobicContact CB-CZ2 4.42Å; I56-W67 PolarHBondContact O-NE1 2.99Å
57Y86.6Confident87.3Confident72 Ų7238 Ų3828%0.28220%0.199SC..  trans-147.9159.2174.561.4-85.4000111.9T59 R63Y57-T59 HydrophobicContact CE2-CG2 4.24Å; Y57-R63 HydrophobicContact CD1-CB 4.43Å; Y57-R63 HydrophobicContact CD1-CG 3.91Å; Y57-R63 HydrophobicContact CD2-CB 3.88Å; Y57-R63 HydrophobicContact CD2-CG 4.27Å; Y57-R63 HydrophobicContact CE1-CG 4.24Å; Y57-R63 HydrophobicContact CE2-CB 4.18Å; Y57-R63 HydrophobicContact CG-CB 4.02Å; Y57-R63 HydrophobicContact CG-CG 3.93Å
58S82.3Confident87.5Confident42 Ų4236.6 Ų36.629%0.29419%0.192SC..  trans-92123.2172.3179.30000109.6H60 I61 G62 T66S58-H60 PolarHBondContact O-N 3.45Å; S58-H60 PolarHBondContact OG-N 2.7Å; S58-I61 PolarHBondContact O-N 2.76Å; S58-G62 PolarHBondContact O-N 2.81Å; S58-T66 PolarHBondContact N-OG1 3.11Å; S58-T66 PolarHBondContact O-OG1 2.82Å
59T76Confident87.7Confident85 Ų8534.9 Ų34.952%0.52117%0.174SC..THydrogen-bonded Turntrans-63.4-18.6173.356.60000112.4Y57Y57-T59 HydrophobicContact CE2-CG2 4.24Å
60H76.7Confident87.8Confident102 Ų10236.5 Ų36.547%0.47219%0.19SC..THydrogen-bonded Turntrans-71.9-47.4175.6-72.7-88.2000111.8S58 S218 K219 L220S58-H60 PolarHBondContact O-N 3.45Å; S58-H60 PolarHBondContact OG-N 2.7Å; H60-S218 WeakPolarHBondContact O-CB 3.47Å; H60-K219 PolarHBondContact O-N 2.73Å; H60-L220 WeakPolarHBondContact O-CB 3.34Å; H60-L220 PolarHBondContact O-N 2.7Å
61I81.2Confident88Confident56 Ų5636.9 Ų36.929%0.28719%0.193SC..THydrogen-bonded Turntrans-84.1-30.6-174.3-63.9171.6000111.6S58 K65 I69 L220S58-I61 PolarHBondContact O-N 2.76Å; I61-K65 HydrophobicContact CG2-CB 3.57Å; I61-K65 WeakPolarHBondContact O-CD 3.38Å; I61-I69 HydrophobicContact CG2-CD1 4.14Å; I61-L220 HydrophobicContact CG1-CD2 4.34Å
62G82.3Confident88.2Confident5 Ų537 Ų375%0.05219%0.193CC..  trans107.3153.4-171.200000111.3S58 R64 T66 E215S58-G62 PolarHBondContact O-N 2.81Å; G62-R64 PolarHBondContact O-N 3.17Å; G62-T66 WeakPolarHBondContact O-CB 3.46Å; G62-T66 PolarHBondContact O-N 3.44Å; G62-T66 VanDerWaalsContact O-N 3.1Å; G62-T66 PolarHBondContact O-OG1 3.05Å; G62-E215 WeakPolarHBondContact CA-OE2 3.13Å
63R83.9Confident88.4Confident29 Ų2937.7 Ų37.711%0.10919%0.193CC..THydrogen-bonded Turntrans-61.6-49.4-170.9177.1179.2161.4178.71112D54 Y57 E215 A584D54-R63 IonicContact OD1-CZ 3.59Å; D54-R63 IonicContact OD1-NE 3.7Å; D54-R63 IonicContact OD1-NH2 2.63Å; D54-R63 PolarHBondContact OD1-NH2 3.45Å; Y57-R63 HydrophobicContact CD1-CB 4.43Å; Y57-R63 HydrophobicContact CD1-CG 3.91Å; Y57-R63 HydrophobicContact CD2-CB 3.88Å; Y57-R63 HydrophobicContact CD2-CG 4.27Å; Y57-R63 HydrophobicContact CE1-CG 4.24Å; Y57-R63 HydrophobicContact CE2-CB 4.18Å; Y57-R63 HydrophobicContact CG-CB 4.02Å; Y57-R63 HydrophobicContact CG-CG 3.93Å; R63-E215 PolarHBondContact N-OE1 2.96Å; R63-E215 PolarHBondContact N-OE2 3.39Å; R63-A584 PolarHBondContact NH1-O 3.46Å; R63-A584 VanDerWaalsContact NH2-C 3.26Å; R63-A584 PolarHBondContact NH2-O 3.23Å
64R89.2Confident88.7Confident6 Ų639.1 Ų39.12%0.02321%0.205CC..THydrogen-bonded Turntrans-79.5-42.5-175.7-55.6-60-179.6-164.2-3.3111.7D54 G62 T66 W67 L68 G132 W133 E215 P583D54-R64 IonicContact OD1-CZ 2.82Å; D54-R64 IonicContact OD1-NH1 3.53Å; D54-R64 PolarHBondContact OD1-NH1 3.29Å; D54-R64 IonicContact OD1-NH2 2.81Å; G62-R64 PolarHBondContact O-N 3.17Å; R64-T66 PolarHBondContact O-N 3.49Å; R64-W67 PolarHBondContact O-N 3.31Å; R64-L68 WeakPolarHBondContact O-CB 3.47Å; R64-L68 PolarHBondContact O-N 2.94Å; R64-G132 PolarHBondContact NE-O 3.31Å; R64-W133 HydrophobicContact CB-CB 3.89Å; R64-W133 HydrophobicContact CB-CD2 4.29Å; R64-W133 HydrophobicContact CB-CG 3.78Å; R64-W133 HydrophobicContact CG-CB 3.75Å; R64-W133 HydrophobicContact CG-CG 3.8Å; R64-E215 WeakPolarHBondContact CG-OE1 3.49Å; R64-E215 PolarHBondContact N-OE1 3.06Å; R64-E215 PolarHBondContact N-OE2 2.81Å; R64-P583 PolarHBondContact NH2-O 3.5Å
65K89.8Confident89.1Confident4 Ų438.9 Ų38.92%0.01720%0.204CC..Hα-helixtrans-61.6-30.2179.4-76.2177169.5-171.10113.7I61 W67 L68 I69 K213 E215 D221I61-K65 HydrophobicContact CG2-CB 3.57Å; I61-K65 WeakPolarHBondContact O-CD 3.38Å; K65-W67 PolarHBondContact O-N 2.94Å; K65-L68 PolarHBondContact O-N 3.49Å; K65-I69 HydrophobicContact CB-CD1 3.92Å; K65-I69 HydrophobicContact CB-CG1 4.47Å; K65-I69 HydrophobicContact CD-CD1 4.46Å; K65-I69 HydrophobicContact CG-CD1 4.29Å; K65-I69 PolarHBondContact O-N 3.41Å; K65-I69 VanDerWaalsContact O-N 3.09Å; K65-K213 WeakPolarHBondContact CE-O 3.09Å; K65-K213 PolarHBondContact NZ-O 2.8Å; K65-E215 HydrophobicContact CD-CB 4.2Å; K65-E215 PolarHBondContact N-OE2 3.31Å; K65-D221 IonicContact NZ-OD1 3.96Å; K65-D221 PolarHBondContact NZ-OD1 3.33Å; K65-D221 IonicContact NZ-OD2 2.94Å; K65-D221 PolarHBondContact NZ-OD2 3.44Å
66T91.7Very high89.6Confident25 Ų2538.1 Ų38.115%0.15320%0.199CC..Hα-helixtrans-54.4-37.6179.8-66.10000112.4S58 G62 R64 P70S58-T66 PolarHBondContact N-OG1 3.11Å; S58-T66 PolarHBondContact O-OG1 2.82Å; G62-T66 WeakPolarHBondContact O-CB 3.46Å; G62-T66 PolarHBondContact O-N 3.44Å; G62-T66 VanDerWaalsContact O-N 3.1Å; G62-T66 PolarHBondContact O-OG1 3.05Å; R64-T66 PolarHBondContact O-N 3.49Å; T66-P70 WeakPolarHBondContact O-CD 3.26Å; T66-P70 VanDerWaalsContact O-CG 3.24Å; T66-P70 WeakPolarHBondContact O-CG 3.41Å
67W92.4Very high90Very high71 Ų7138 Ų3827%0.26920%0.198SC..Hα-helixtrans-97.3-33.2178-70.899.6000113.1I52 I53 I56 R64 K65 T71 T125 A129I52-W67 HydrophobicContact CG2-CH2 4.48Å; I52-W67 HydrophobicContact CG2-CZ2 4.2Å; I53-W67 HydrophobicContact CB-CG 4.49Å; I53-W67 HydrophobicContact CD1-CD2 3.35Å; I53-W67 HydrophobicContact CD1-CE3 3.43Å; I53-W67 VanDerWaalsContact CD1-CE3 3.43Å; I53-W67 HydrophobicContact CD1-CG 3.89Å; I53-W67 HydrophobicContact CD1-CH2 3.92Å; I53-W67 HydrophobicContact CD1-CZ2 3.86Å; I53-W67 HydrophobicContact CD1-CZ3 3.71Å; I53-W67 HydrophobicContact CG2-CB 4.02Å; I53-W67 HydrophobicContact CG2-CD2 4.41Å; I53-W67 HydrophobicContact CG2-CG 3.78Å; I53-W67 VanDerWaalsContact O-CD1 3.31Å; I53-W67 PolarHBondContact O-NE1 2.83Å; I56-W67 HydrophobicContact CB-CZ2 4.42Å; I56-W67 PolarHBondContact O-NE1 2.99Å; R64-W67 PolarHBondContact O-N 3.31Å; K65-W67 PolarHBondContact O-N 2.94Å; W67-T71 WeakPolarHBondContact O-CB 3.42Å; W67-T71 WeakPolarHBondContact O-CG2 3.3Å; W67-T71 PolarHBondContact O-N 3.34Å; W67-T71 PolarHBondContact O-OG1 2.8Å; W67-T125 HydrophobicContact CE3-CG2 4.23Å; W67-A129 HydrophobicContact CB-CB 4.27Å
68L92.7Very high90.5Very high1 Ų136.4 Ų36.41%0.00519%0.193CC..Hα-helixtrans-63.5-47.7-177.6-172.172.4000112.6L3 R64 K65 T71 Q72 Q126 V130 W133 L209L3-L68 HydrophobicContact CD1-CD2 3.91Å; L3-L68 HydrophobicContact CD2-CD1 4.37Å; L3-L68 HydrophobicContact CD2-CD2 4.26Å; R64-L68 WeakPolarHBondContact O-CB 3.47Å; R64-L68 PolarHBondContact O-N 2.94Å; K65-L68 PolarHBondContact O-N 3.49Å; L68-T71 PolarHBondContact O-OG1 2.77Å; L68-T71 VanDerWaalsContact O-OG1 3.08Å; L68-Q72 VanDerWaalsContact O-CB 3.24Å; L68-Q72 WeakPolarHBondContact O-CB 3.5Å; L68-Q72 PolarHBondContact O-N 3.04Å; L68-Q126 HydrophobicContact CD1-CG 3.71Å; L68-V130 HydrophobicContact CD1-CG2 3.37Å; L68-W133 HydrophobicContact CD2-CE3 3.89Å; L68-W133 HydrophobicContact CD2-CH2 4.5Å; L68-W133 HydrophobicContact CD2-CZ3 3.57Å; L68-L209 HydrophobicContact CD2-CD1 3.57Å; L68-L209 HydrophobicContact CD2-CD2 4.07Å; L68-L209 HydrophobicContact CD2-CG 4.5Å
69I93.2Very high91.3Very high24 Ų2434.4 Ų34.412%0.12318%0.179CC..Hα-helixtrans-67.3-49.8-173.8-62.9165.5000111.3I61 K65 Q72 Y73 N206 L209 V210I61-I69 HydrophobicContact CG2-CD1 4.14Å; K65-I69 HydrophobicContact CB-CD1 3.92Å; K65-I69 HydrophobicContact CB-CG1 4.47Å; K65-I69 HydrophobicContact CD-CD1 4.46Å; K65-I69 HydrophobicContact CG-CD1 4.29Å; K65-I69 PolarHBondContact O-N 3.41Å; K65-I69 VanDerWaalsContact O-N 3.09Å; I69-Q72 PolarHBondContact O-N 2.89Å; I69-Y73 HydrophobicContact CG2-CD2 3.9Å; I69-Y73 HydrophobicContact CG2-CE2 3.68Å; I69-Y73 WeakPolarHBondContact O-CD2 3.49Å; I69-Y73 PolarHBondContact O-N 3.39Å; I69-Y73 VanDerWaalsContact O-N 3.16Å; I69-N206 PolarHBondContact O-ND2 3.49Å; I69-L209 HydrophobicContact CG1-CD2 4.07Å; I69-V210 HydrophobicContact CB-CG2 4.5Å; I69-V210 HydrophobicContact CD1-CG2 3.62Å; I69-V210 HydrophobicContact CG1-CG2 3.85Å; I69-V210 HydrophobicContact CG2-CG2 3.81Å
70P94.6Very high92.3Very high73 Ų7332.6 Ų32.647%0.47417%0.165SC..Hα-helixtrans-65.1-41.3179.7-23.636.5000112.8T66 Q72 Y73 A74T66-P70 WeakPolarHBondContact O-CD 3.26Å; T66-P70 VanDerWaalsContact O-CG 3.24Å; T66-P70 WeakPolarHBondContact O-CG 3.41Å; P70-Q72 PolarHBondContact O-N 3.32Å; P70-Y73 PolarHBondContact O-N 3.03Å; P70-A74 WeakPolarHBondContact O-CB 3.31Å; P70-A74 PolarHBondContact O-N 2.91Å
71T95.5Very high93.2Very high9 Ų931.9 Ų31.96%0.05516%0.164CC..Hα-helixtrans-65.6-40.3-179.953.90000111.8W67 L68 A74 I75 T125W67-T71 WeakPolarHBondContact O-CB 3.42Å; W67-T71 WeakPolarHBondContact O-CG2 3.3Å; W67-T71 PolarHBondContact O-N 3.34Å; W67-T71 PolarHBondContact O-OG1 2.8Å; L68-T71 PolarHBondContact O-OG1 2.77Å; L68-T71 VanDerWaalsContact O-OG1 3.08Å; T71-A74 PolarHBondContact O-N 3.42Å; T71-I75 VanDerWaalsContact O-CG1 3.31Å; T71-I75 WeakPolarHBondContact O-CG1 3.48Å; T71-I75 PolarHBondContact O-N 3.31Å; T71-T125 HydrophobicContact CG2-CG2 3.76Å
72Q95.7Very high94Very high1 Ų129.4 Ų29.41%0.00515%0.152CC..Hα-helixtrans-68.2-36.2178.8-165.8170.2-2800112.6L68 I69 P70 G76 F202 T205 N206L68-Q72 VanDerWaalsContact O-CB 3.24Å; L68-Q72 WeakPolarHBondContact O-CB 3.5Å; L68-Q72 PolarHBondContact O-N 3.04Å; I69-Q72 PolarHBondContact O-N 2.89Å; P70-Q72 PolarHBondContact O-N 3.32Å; Q72-G76 PolarHBondContact O-N 3.13Å; Q72-G76 VanDerWaalsContact O-N 3.17Å; Q72-F202 HydrophobicContact CG-CD1 3.68Å; Q72-F202 HydrophobicContact CG-CE1 4.27Å; Q72-T205 PolarHBondContact NE2-OG1 3.12Å; Q72-N206 HydrophobicContact CB-CB 4.25Å; Q72-N206 HydrophobicContact CG-CB 3.9Å
73Y97.1Very high94.6Very high70 Ų7029.2 Ų29.228%0.27515%0.15SC..Hα-helixtrans-66.6-43.3168.9-77.9-48.8000111.7I69 P70 I75 G76 I77 M203 N206 T207I69-Y73 HydrophobicContact CG2-CD2 3.9Å; I69-Y73 HydrophobicContact CG2-CE2 3.68Å; I69-Y73 WeakPolarHBondContact O-CD2 3.49Å; I69-Y73 PolarHBondContact O-N 3.39Å; I69-Y73 VanDerWaalsContact O-N 3.16Å; P70-Y73 PolarHBondContact O-N 3.03Å; Y73-I75 VanDerWaalsContact C-N 3.32Å; Y73-I75 PolarHBondContact O-N 3.08Å; Y73-G76 PolarHBondContact O-N 3.13Å; Y73-I77 WeakPolarHBondContact O-CG1 3.38Å; Y73-I77 PolarHBondContact O-N 3.37Å; Y73-M203 HydrophobicContact CD1-CE 3.77Å; Y73-M203 HydrophobicContact CD1-SD 3.61Å; Y73-M203 HydrophobicContact CE1-SD 4.15Å; Y73-M203 WeakPolarHBondContact O-CE 3.4Å; Y73-N206 HydrophobicContact CD1-CB 4.24Å; Y73-N206 VanDerWaalsContact CD1-ND2 3.35Å; Y73-N206 WeakPolarHBondContact CD1-ND2 3.39Å; Y73-N206 WeakPolarHBondContact CD2-ND2 3.49Å; Y73-N206 HydrophobicContact CE1-CB 3.94Å; Y73-N206 WeakPolarHBondContact CE1-ND2 3.41Å; Y73-N206 WeakPolarHBondContact CE2-ND2 3.1Å; Y73-N206 VanDerWaalsContact CZ-ND2 3.34Å; Y73-N206 PolarHBondContact N-ND2 3.08Å; Y73-T207 PolarHBondContact OH-OG1 3.07Å
74A97.4Very high95.1Very high34 Ų3433.5 Ų33.528%0.28118%0.175SC..Hα-helixtrans-58.8-43.6177.800000111.8P70 T71 G76 I77 E78 L122P70-A74 WeakPolarHBondContact O-CB 3.31Å; P70-A74 PolarHBondContact O-N 2.91Å; T71-A74 PolarHBondContact O-N 3.42Å; A74-G76 PolarHBondContact O-N 3.17Å; A74-I77 PolarHBondContact O-N 3.1Å; A74-E78 WeakPolarHBondContact O-CB 3.37Å; A74-E78 PolarHBondContact O-N 3.13Å; A74-L122 HydrophobicContact CB-CD1 3.57Å; A74-L122 HydrophobicContact CB-CD2 3.9Å; A74-L122 HydrophobicContact CB-CG 4.38Å
75I97.4Very high95.4Very high0 Ų039.1 Ų39.10%020%0.197CC..Hα-helixtrans-58.5-49.1174.7-69.5166.2000110.8P10 T71 Y73 I77 E78 L79 L119 L122 A123 Q126 F202P10-I75 HydrophobicContact CG-CG2 4.22Å; T71-I75 VanDerWaalsContact O-CG1 3.31Å; T71-I75 WeakPolarHBondContact O-CG1 3.48Å; T71-I75 PolarHBondContact O-N 3.31Å; Y73-I75 VanDerWaalsContact C-N 3.32Å; Y73-I75 PolarHBondContact O-N 3.08Å; I75-I77 VanDerWaalsContact C-N 3.35Å; I75-I77 PolarHBondContact O-N 3.45Å; I75-E78 PolarHBondContact O-N 2.82Å; I75-L79 HydrophobicContact CG2-CD1 4.01Å; I75-L79 HydrophobicContact CG2-CG 4.41Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.39Å; I75-L79 PolarHBondContact O-N 3.1Å; I75-L119 HydrophobicContact CB-CD1 4.49Å; I75-L119 HydrophobicContact CG2-CD1 3.81Å; I75-L122 HydrophobicContact CD1-CB 4.1Å; I75-L122 HydrophobicContact CG1-CB 3.53Å; I75-L122 HydrophobicContact CG1-CD1 4.1Å; I75-L122 HydrophobicContact CG1-CG 4.49Å; I75-A123 HydrophobicContact CD1-CB 4.45Å; I75-Q126 HydrophobicContact CD1-CB 4.47Å; I75-F202 HydrophobicContact CB-CD1 4.01Å; I75-F202 HydrophobicContact CB-CE1 4.05Å; I75-F202 HydrophobicContact CD1-CE1 4.15Å; I75-F202 HydrophobicContact CG2-CD1 3.58Å; I75-F202 HydrophobicContact CG2-CD2 4.35Å; I75-F202 HydrophobicContact CG2-CE1 3.4Å; I75-F202 VanDerWaalsContact CG2-CE1 3.4Å; I75-F202 HydrophobicContact CG2-CE2 4.19Å; I75-F202 HydrophobicContact CG2-CG 4.07Å; I75-F202 HydrophobicContact CG2-CZ 3.7Å
76G97.4Very high95.6Very high0 Ų038.9 Ų38.90%020%0.196CC..Hα-helixtrans-64.8-37.8-178.700000113.1Q72 Y73 A74 L79 I80 G199 M203Q72-G76 PolarHBondContact O-N 3.13Å; Q72-G76 VanDerWaalsContact O-N 3.17Å; Y73-G76 PolarHBondContact O-N 3.13Å; A74-G76 PolarHBondContact O-N 3.17Å; G76-L79 PolarHBondContact O-N 3.43Å; G76-I80 VanDerWaalsContact O-CG1 3.31Å; G76-I80 WeakPolarHBondContact O-CG1 3.46Å; G76-I80 PolarHBondContact O-N 3.01Å; G76-I80 VanDerWaalsContact O-N 3.12Å; G76-G199 WeakPolarHBondContact O-CA 3.41Å; G76-M203 VanDerWaalsContact CA-CE 3.43Å
77I97.4Very high95.7Very high88 Ų8839.5 Ų39.545%0.45120%0.198SC..Hα-helixtrans-66-46.2176.2-69.4164.3000109.9Y73 A74 I75 L79 I80 I81 M203Y73-I77 WeakPolarHBondContact O-CG1 3.38Å; Y73-I77 PolarHBondContact O-N 3.37Å; A74-I77 PolarHBondContact O-N 3.1Å; I75-I77 VanDerWaalsContact C-N 3.35Å; I75-I77 PolarHBondContact O-N 3.45Å; I77-L79 VanDerWaalsContact C-N 3.32Å; I77-L79 PolarHBondContact O-N 3.25Å; I77-I80 PolarHBondContact O-N 2.69Å; I77-I80 VanDerWaalsContact O-N 3.15Å; I77-I81 HydrophobicContact CG2-CD1 3.76Å; I77-I81 HydrophobicContact CG2-CG1 4.36Å; I77-I81 WeakPolarHBondContact O-CG1 3.15Å; I77-I81 PolarHBondContact O-N 3.34Å; I77-M203 HydrophobicContact CG1-CE 3.85Å; I77-M203 HydrophobicContact CG1-SD 4.42Å
78E97.2Very high95.6Very high39 Ų3939 Ų3918%0.18221%0.206CC..Hα-helixtrans-61.3-40.3178.1-175.5167.4-159.800111.9A74 I75 I80 I81 L82 L119 L122A74-E78 WeakPolarHBondContact O-CB 3.37Å; A74-E78 PolarHBondContact O-N 3.13Å; I75-E78 PolarHBondContact O-N 2.82Å; E78-I80 PolarHBondContact O-N 3.07Å; E78-I81 PolarHBondContact O-N 3.26Å; E78-L82 WeakPolarHBondContact O-CB 3.08Å; E78-L82 PolarHBondContact O-N 3.45Å; E78-L119 PolarHBondContact OE1-N 3.32Å; E78-L119 VanDerWaalsContact OE1-N 3.14Å; E78-L119 VanDerWaalsContact OE2-CA 3.23Å; E78-L119 WeakPolarHBondContact OE2-CA 2.98Å; E78-L119 PolarHBondContact OE2-N 3.07Å; E78-L119 VanDerWaalsContact OE2-N 3.13Å; E78-L122 VanDerWaalsContact OE2-CD1 3.28Å; E78-L122 WeakPolarHBondContact OE2-CD1 3.45Å
79L97.7Very high95.6Very high0 Ų040.9 Ų40.90%021%0.213CC..Hα-helixtrans-62.2-39.7173.7-71.8173.7000112.6L13 I75 G76 I77 L82 A83 L119 L195 W198 F202L13-L79 HydrophobicContact CD1-CD2 3.7Å; I75-L79 HydrophobicContact CG2-CD1 4.01Å; I75-L79 HydrophobicContact CG2-CG 4.41Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.39Å; I75-L79 PolarHBondContact O-N 3.1Å; G76-L79 PolarHBondContact O-N 3.43Å; I77-L79 VanDerWaalsContact C-N 3.32Å; I77-L79 PolarHBondContact O-N 3.25Å; L79-L82 PolarHBondContact O-N 3.03Å; L79-A83 WeakPolarHBondContact O-CB 3.09Å; L79-A83 PolarHBondContact O-N 3.26Å; L79-L119 HydrophobicContact CD2-CD1 4Å; L79-L119 HydrophobicContact CD2-CD2 3.97Å; L79-L119 HydrophobicContact CG-CD1 4.06Å; L79-L195 HydrophobicContact CD2-CD2 3.79Å; L79-W198 HydrophobicContact CD1-CB 4.04Å; L79-F202 HydrophobicContact CD1-CD2 3.91Å; L79-F202 HydrophobicContact CD1-CE2 4.07Å
80I97.5Very high95.5Very high47 Ų4739.8 Ų39.824%0.24121%0.207CC..Hα-helixtrans-66.9-41.8175.6-67.8165.1000110.8G76 I77 E78 A83 N84 Y196 M203G76-I80 VanDerWaalsContact O-CG1 3.31Å; G76-I80 WeakPolarHBondContact O-CG1 3.46Å; G76-I80 PolarHBondContact O-N 3.01Å; G76-I80 VanDerWaalsContact O-N 3.12Å; I77-I80 PolarHBondContact O-N 2.69Å; I77-I80 VanDerWaalsContact O-N 3.15Å; E78-I80 PolarHBondContact O-N 3.07Å; I80-A83 WeakPolarHBondContact O-CB 3.49Å; I80-A83 PolarHBondContact O-N 2.83Å; I80-N84 PolarHBondContact O-ND2 3.47Å; I80-Y196 HydrophobicContact CG1-CD2 4.41Å; I80-Y196 HydrophobicContact CG2-CD2 4.33Å; I80-Y196 HydrophobicContact CG2-CE2 4.33Å; I80-M203 HydrophobicContact CD1-CG 4.45Å
81I97Very high95.2Very high87 Ų8736.3 Ų36.345%0.44619%0.185SC..Hα-helixtrans-62.5-50.1175.5-68.6170000109.6I77 E78 A83 N84 Y85I77-I81 HydrophobicContact CG2-CD1 3.76Å; I77-I81 HydrophobicContact CG2-CG1 4.36Å; I77-I81 WeakPolarHBondContact O-CG1 3.15Å; I77-I81 PolarHBondContact O-N 3.34Å; E78-I81 PolarHBondContact O-N 3.26Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 3.25Å; I81-N84 WeakPolarHBondContact O-CB 3.45Å; I81-N84 PolarHBondContact O-N 3.42Å; I81-Y85 HydrophobicContact CG2-CD2 4.03Å; I81-Y85 HydrophobicContact CG2-CE2 3.93Å; I81-Y85 WeakPolarHBondContact O-CD2 3.3Å
82L96.3Very high94.9Very high4 Ų436.3 Ų36.32%0.02118%0.184CC..Hα-helixtrans-58.9-38.2179.9-173.765.3000111.6E78 L79 N84 Y85 I86 W89 A115 F116 L195E78-L82 WeakPolarHBondContact O-CB 3.08Å; E78-L82 PolarHBondContact O-N 3.45Å; L79-L82 PolarHBondContact O-N 3.03Å; L82-N84 PolarHBondContact O-N 3.25Å; L82-N84 VanDerWaalsContact O-N 3.16Å; L82-Y85 PolarHBondContact O-N 3.37Å; L82-I86 HydrophobicContact CD1-CD1 4.23Å; L82-I86 HydrophobicContact CG-CD1 4.45Å; L82-I86 VanDerWaalsContact O-CB 3.3Å; L82-I86 WeakPolarHBondContact O-CB 3.17Å; L82-I86 PolarHBondContact O-N 2.68Å; L82-W89 HydrophobicContact CD1-CE3 3.97Å; L82-W89 HydrophobicContact CD1-CH2 4.47Å; L82-W89 HydrophobicContact CD1-CZ3 3.49Å; L82-W89 VanDerWaalsContact CD1-CZ3 3.49Å; L82-A115 HydrophobicContact CD1-CB 4.04Å; L82-F116 HydrophobicContact CD1-CE2 4.28Å; L82-F116 HydrophobicContact CD2-CD2 4.23Å; L82-F116 HydrophobicContact CD2-CE2 3.59Å; L82-F116 HydrophobicContact CD2-CZ 3.84Å; L82-F116 HydrophobicContact CG-CE2 4.49Å; L82-L195 HydrophobicContact CB-CD1 4.19Å; L82-L195 HydrophobicContact CD2-CD1 3.73Å; L82-L195 HydrophobicContact CD2-CD2 4.12Å; L82-L195 HydrophobicContact CG-CD1 3.64Å
83A96.2Very high94.5Very high2 Ų239.3 Ų39.32%0.01720%0.2CC..Hα-helixtrans-54.4-33.9175.600000113L79 I80 I81 S192 L195L79-A83 WeakPolarHBondContact O-CB 3.09Å; L79-A83 PolarHBondContact O-N 3.26Å; I80-A83 WeakPolarHBondContact O-CB 3.49Å; I80-A83 PolarHBondContact O-N 2.83Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 3.25Å; A83-S192 WeakPolarHBondContact CB-O 3.4Å; A83-S192 WeakPolarHBondContact O-CB 3.48Å; A83-S192 PolarHBondContact O-OG 3.03Å; A83-L195 HydrophobicContact CB-CB 3.85Å
84N94.9Very high94.1Very high119 Ų11940.8 Ų40.864%0.63622%0.218SC*.Hα-helixtrans-77.5-26.3179.7-64.4-43000113.3I80 I81 L82I80-N84 PolarHBondContact O-ND2 3.47Å; I81-N84 WeakPolarHBondContact O-CB 3.45Å; I81-N84 PolarHBondContact O-N 3.42Å; L82-N84 PolarHBondContact O-N 3.25Å; L82-N84 VanDerWaalsContact O-N 3.16Å
85Y94.8Very high93.7Very high123 Ų12346.4 Ų46.448%0.48224%0.243SC..Hα-helixtrans-107.8-19.3-173.9-62.8-73.3000114.3I81 L82 N87 S88 W89I81-Y85 HydrophobicContact CG2-CD2 4.03Å; I81-Y85 HydrophobicContact CG2-CE2 3.93Å; I81-Y85 WeakPolarHBondContact O-CD2 3.3Å; L82-Y85 PolarHBondContact O-N 3.37Å; Y85-N87 PolarHBondContact O-N 3.27Å; Y85-S88 WeakPolarHBondContact O-CB 3.49Å; Y85-S88 PolarHBondContact O-N 2.88Å; Y85-S88 VanDerWaalsContact O-N 3.09Å; Y85-W89 HydrophobicContact CD2-CZ2 4.5Å; Y85-W89 HydrophobicContact CG-CZ2 4.02Å; Y85-W89 PolarHBondContact O-N 3.01Å
86I94Very high93.3Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-57.5-43.1-170.3-168.161.9000113.2L82 S88 W89 L90 L112 F116 F191 L195L82-I86 HydrophobicContact CD1-CD1 4.23Å; L82-I86 HydrophobicContact CG-CD1 4.45Å; L82-I86 VanDerWaalsContact O-CB 3.3Å; L82-I86 WeakPolarHBondContact O-CB 3.17Å; L82-I86 PolarHBondContact O-N 2.68Å; I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 2.87Å; I86-W89 PolarHBondContact O-N 2.84Å; I86-L90 HydrophobicContact CD1-CD1 4.15Å; I86-L90 HydrophobicContact CD1-CG 4.24Å; I86-L90 HydrophobicContact CG1-CD1 3.86Å; I86-L90 HydrophobicContact CG1-CG 4.35Å; I86-L90 WeakPolarHBondContact O-CB 3.38Å; I86-L90 VanDerWaalsContact O-CG 3.25Å; I86-L90 WeakPolarHBondContact O-CG 3.4Å; I86-L90 PolarHBondContact O-N 3.22Å; I86-L112 HydrophobicContact CD1-CD1 3.42Å; I86-L112 VanDerWaalsContact CD1-CD1 3.42Å; I86-F116 HydrophobicContact CD1-CE2 4.28Å; I86-F191 HydrophobicContact CD1-CD2 4.41Å; I86-F191 HydrophobicContact CD1-CE2 3.94Å; I86-F191 HydrophobicContact CD1-CZ 4.12Å; I86-F191 HydrophobicContact CG1-CD1 4.34Å; I86-F191 HydrophobicContact CG1-CD2 3.7Å; I86-F191 HydrophobicContact CG1-CE1 4.34Å; I86-F191 HydrophobicContact CG1-CE2 3.72Å; I86-F191 HydrophobicContact CG1-CG 4.01Å; I86-F191 HydrophobicContact CG1-CZ 4.04Å; I86-L195 HydrophobicContact CB-CD1 3.94Å; I86-L195 HydrophobicContact CG1-CD1 4.02Å; I86-L195 HydrophobicContact CG2-CD1 3.92Å
87N92.4Very high92.9Very high38 Ų3850.7 Ų50.720%0.20327%0.268CS..Hα-helixtrans-66-37.6-178.7-69.9-30.9000111.2Y85 R92 S192Y85-N87 PolarHBondContact O-N 3.27Å; N87-R92 WeakPolarHBondContact O-CB 3.35Å; N87-R92 PolarHBondContact O-N 3.25Å; N87-R92 VanDerWaalsContact O-N 3.11Å; N87-S192 WeakPolarHBondContact ND2-CB 3.37Å
88S92.2Very high92.5Very high61 Ų6149 Ų4943%0.42726%0.256SS..Hα-helixtrans-67.7-49.9174.6174.90000110.5Y85 I86 L90 G91 H105Y85-S88 WeakPolarHBondContact O-CB 3.49Å; Y85-S88 PolarHBondContact O-N 2.88Å; Y85-S88 VanDerWaalsContact O-N 3.09Å; I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 2.87Å; S88-L90 VanDerWaalsContact C-N 3.25Å; S88-L90 PolarHBondContact O-N 2.91Å; S88-G91 WeakPolarHBondContact O-CA 3.5Å; S88-G91 PolarHBondContact O-N 2.88Å; S88-H105 PolarHBondContact O-CE1 3.26Å; S88-H105 PolarHBondContact O-NE2 3.43Å
89W93Very high92Very high40 Ų4047.5 Ų47.515%0.15225%0.25CC..Hα-helixtrans-64.8-28.2-178.5-63.5-13.9000113.8L82 Y85 I86 G91 D108 R111 L112 A115L82-W89 HydrophobicContact CD1-CE3 3.97Å; L82-W89 HydrophobicContact CD1-CH2 4.47Å; L82-W89 HydrophobicContact CD1-CZ3 3.49Å; L82-W89 VanDerWaalsContact CD1-CZ3 3.49Å; Y85-W89 HydrophobicContact CD2-CZ2 4.5Å; Y85-W89 HydrophobicContact CG-CZ2 4.02Å; Y85-W89 PolarHBondContact O-N 3.01Å; I86-W89 PolarHBondContact O-N 2.84Å; W89-G91 PolarHBondContact O-N 3.26Å; W89-D108 HydrophobicContact CB-CB 4.31Å; W89-D108 PolarHBondContact O-N 3.06Å; W89-R111 HydrophobicContact CD2-CB 3.99Å; W89-R111 HydrophobicContact CE3-CB 4.34Å; W89-R111 HydrophobicContact CG-CB 4.33Å; W89-R111 HydrophobicContact CZ2-CB 4.35Å; W89-L112 HydrophobicContact CE3-CD1 4.42Å; W89-A115 HydrophobicContact CH2-CB 4.09Å; W89-A115 HydrophobicContact CZ3-CB 3.59Å
90L90.7Very high91.3Very high1 Ų151.9 Ų51.91%0.00528%0.278CS..THydrogen-bonded Turntrans-77.30.1171.9-68.5175.5000113.8I86 S88 R92 L101 G102 V107 L112 F191I86-L90 HydrophobicContact CD1-CD1 4.15Å; I86-L90 HydrophobicContact CD1-CG 4.24Å; I86-L90 HydrophobicContact CG1-CD1 3.86Å; I86-L90 HydrophobicContact CG1-CG 4.35Å; I86-L90 WeakPolarHBondContact O-CB 3.38Å; I86-L90 VanDerWaalsContact O-CG 3.25Å; I86-L90 WeakPolarHBondContact O-CG 3.4Å; I86-L90 PolarHBondContact O-N 3.22Å; S88-L90 VanDerWaalsContact C-N 3.25Å; S88-L90 PolarHBondContact O-N 2.91Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 HydrophobicContact CB-CG 4.32Å; L90-R92 PolarHBondContact O-N 3.42Å; L90-L101 HydrophobicContact CB-CG 4.36Å; L90-L101 HydrophobicContact CD2-CD2 3.92Å; L90-L101 HydrophobicContact CD2-CG 4.47Å; L90-G102 PolarHBondContact O-N 3.2Å; L90-V107 HydrophobicContact CD2-CG1 4.41Å; L90-V107 WeakPolarHBondContact O-CG2 3.31Å; L90-L112 HydrophobicContact CD2-CD2 4.15Å; L90-F191 HydrophobicContact CD1-CD2 3.5Å; L90-F191 VanDerWaalsContact CD1-CD2 3.5Å; L90-F191 HydrophobicContact CD1-CE2 3.77Å
91G87.5Confident90.8Very high0 Ų050.3 Ų50.30%027%0.27CS..THydrogen-bonded Turntrans67.927.917700000113.8S88 W89 G102 T103 H104 H105S88-G91 WeakPolarHBondContact O-CA 3.5Å; S88-G91 PolarHBondContact O-N 2.88Å; W89-G91 PolarHBondContact O-N 3.26Å; G91-G102 CarbonylContact O-C 3.53Å; G91-G102 PolarHBondContact O-N 3.36Å; G91-T103 PolarHBondContact O-N 3.01Å; G91-T103 PolarHBondContact O-OG1 2.82Å; G91-H104 PolarHBondContact O-N 3.1Å; G91-H105 VanDerWaalsContact CA-O 3.31Å; G91-H105 WeakPolarHBondContact CA-O 3.4Å
92R89.1Confident90.1Very high8 Ų847.2 Ų47.23%0.0326%0.26CS..  trans-77.3156.4179-68.3-171.6-177.3162.34.8111.7N87 L90 P94 P97 S99 H104 E169N87-R92 WeakPolarHBondContact O-CB 3.35Å; N87-R92 PolarHBondContact O-N 3.25Å; N87-R92 VanDerWaalsContact O-N 3.11Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 HydrophobicContact CB-CG 4.32Å; L90-R92 PolarHBondContact O-N 3.42Å; R92-P94 WeakPolarHBondContact O-CD 3.31Å; R92-P97 WeakPolarHBondContact CD-O 3.48Å; R92-P97 PolarHBondContact NH1-O 3.01Å; R92-S99 WeakPolarHBondContact CB-OG 3.29Å; R92-H104 WeakPolarHBondContact O-CB 3.45Å; R92-E169 IonicContact CZ-OE1 3.72Å; R92-E169 VanDerWaalsContact CZ-OE1 3.22Å; R92-E169 IonicContact NH1-OE1 2.78Å; R92-E169 PolarHBondContact NH1-OE1 3.38Å; R92-E169 IonicContact NH2-OE1 2.86Å; R92-E169 PolarHBondContact NH2-OE1 2.7Å
93D88.5Confident89.4Confident65 Ų6550.8 Ų50.835%0.34828%0.282SS..  trans-60.1123.9169.4-173.9-24.2000110.1N95 N96 S99 T103D93-N95 PolarHBondContact O-N 3.15Å; D93-N95 VanDerWaalsContact O-N 3.12Å; D93-N95 WeakPolarHBondContact OD1-CB 3.42Å; D93-N95 PolarHBondContact OD1-N 3.28Å; D93-N96 HydrophobicContact CB-CB 4.38Å; D93-N96 CarbonylContact O-C 3.33Å; D93-N96 VanDerWaalsContact O-C 3.31Å; D93-N96 PolarHBondContact O-N 3.31Å; D93-N96 VanDerWaalsContact O-O 3.11Å; D93-S99 PolarHBondContact N-OG 2.81Å; D93-T103 PolarHBondContact N-OG1 3.26Å
94P88.5Confident88.9Confident100 Ų10056.4 Ų56.465%0.64931%0.307SS*.THydrogen-bonded Turntrans-53.4-28.8175.8-26.635000114.5R92R92-P94 WeakPolarHBondContact O-CD 3.31Å
95N88.7Confident88.5Confident153 Ų15353.1 Ų53.182%0.81829%0.288SS*.THydrogen-bonded Turntrans-87.6-14.5-179.9-60.3-48.8000113.3D93D93-N95 PolarHBondContact O-N 3.15Å; D93-N95 VanDerWaalsContact O-N 3.12Å; D93-N95 WeakPolarHBondContact OD1-CB 3.42Å; D93-N95 PolarHBondContact OD1-N 3.28Å
96N88.7Confident88Confident56 Ų5652.1 Ų52.130%0.29930%0.297SS..  trans-138.799.3-179.7-175.24.4000112.2D93 W98 S99D93-N96 HydrophobicContact CB-CB 4.38Å; D93-N96 CarbonylContact O-C 3.33Å; D93-N96 VanDerWaalsContact O-C 3.31Å; D93-N96 PolarHBondContact O-N 3.31Å; D93-N96 VanDerWaalsContact O-O 3.11Å; N96-W98 PolarHBondContact O-N 2.97Å; N96-W98 VanDerWaalsContact O-N 3.14Å; N96-W98 PolarHBondContact OD1-N 3.06Å; N96-S99 WeakPolarHBondContact O-CB 3.33Å; N96-S99 PolarHBondContact O-N 3.21Å; N96-S99 PolarHBondContact O-OG 3.22Å
97P88.7Confident87.7Confident33 Ų3353.2 Ų53.221%0.21430%0.303CS..THydrogen-bonded Turntrans-72.3-6.5-176.629.9-35.2000114.7R92 T190R92-P97 WeakPolarHBondContact CD-O 3.48Å; R92-P97 PolarHBondContact NH1-O 3.01Å; P97-T190 HydrophobicContact CB-CG2 3.8Å; P97-T190 HydrophobicContact CG-CG2 3.57Å
98W89.5Confident87.6Confident53 Ų5353.5 Ų53.520%0.20131%0.305CS..THydrogen-bonded Turntrans-103.56.9172.7-63.5-82.8000113N96 P171 G185 K186 G187 I189 T190N96-W98 PolarHBondContact O-N 2.97Å; N96-W98 VanDerWaalsContact O-N 3.14Å; N96-W98 PolarHBondContact OD1-N 3.06Å; W98-P171 HydrophobicContact CB-CG 4.25Å; W98-G185 WeakPolarHBondContact CB-O 3.37Å; W98-K186 HydrophobicContact CD2-CB 4.21Å; W98-K186 HydrophobicContact CD2-CG 4.44Å; W98-K186 HydrophobicContact CE3-CB 3.98Å; W98-K186 HydrophobicContact CE3-CD 4.3Å; W98-K186 HydrophobicContact CE3-CG 3.75Å; W98-K186 HydrophobicContact CH2-CB 4.32Å; W98-K186 HydrophobicContact CH2-CD 4.4Å; W98-K186 HydrophobicContact CH2-CG 4.48Å; W98-K186 HydrophobicContact CZ3-CB 4.06Å; W98-K186 HydrophobicContact CZ3-CD 3.84Å; W98-K186 HydrophobicContact CZ3-CG 3.8Å; W98-G187 VanDerWaalsContact CD1-N 3.31Å; W98-G187 WeakPolarHBondContact CZ2-O 3.39Å; W98-G187 VanDerWaalsContact NE1-N 3.18Å; W98-I189 PolarHBondContact NE1-O 2.97Å; W98-I189 VanDerWaalsContact NE1-O 3.09Å; W98-T190 HydrophobicContact CD2-CG2 4.17Å; W98-T190 HydrophobicContact CE3-CG2 4.41Å; W98-T190 HydrophobicContact CH2-CG2 3.57Å; W98-T190 HydrophobicContact CZ2-CG2 3.27Å; W98-T190 HydrophobicContact CZ3-CG2 4.12Å
99S86.2Confident87.5Confident8 Ų851.9 Ų51.96%0.05629%0.291CS..SBendtrans-58.3150.3173.952.10000111.4R92 D93 N96R92-S99 WeakPolarHBondContact CB-OG 3.29Å; D93-S99 PolarHBondContact N-OG 2.81Å; N96-S99 WeakPolarHBondContact O-CB 3.33Å; N96-S99 PolarHBondContact O-N 3.21Å; N96-S99 PolarHBondContact O-OG 3.22Å
100P83.3Confident87.4Confident91 Ų9155.5 Ų55.559%0.59131%0.312SS*.PPolyproline II helixtrans-51.3150.2173.8-25.833.6000112.2T103P100-T103 HydrophobicContact CB-CG2 3.87Å; P100-T103 HydrophobicContact CG-CG2 4.29Å; P100-T103 WeakPolarHBondContact O-CG2 3.47Å; P100-T103 PolarHBondContact O-OG1 2.93Å
101L86.4Confident87.6Confident14 Ų1462 Ų627%0.07334%0.337CS..THydrogen-bonded Turntrans-66142179.8-80.467000110.4M20 L21 L90 V107M20-L101 HydrophobicContact CB-CD2 4.19Å; M20-L101 HydrophobicContact CE-CD1 4.2Å; L21-L101 HydrophobicContact CD2-CD2 4.13Å; L90-L101 HydrophobicContact CB-CG 4.36Å; L90-L101 HydrophobicContact CD2-CD2 3.92Å; L90-L101 HydrophobicContact CD2-CG 4.47Å; L101-V107 HydrophobicContact CB-CG2 4.24Å
102G82Confident87.9Confident22 Ų2262 Ų6223%0.22734%0.337CS..THydrogen-bonded Turntrans78.711.7175.600000116.1L90 G91 H105L90-G102 PolarHBondContact O-N 3.2Å; G91-G102 CarbonylContact O-C 3.53Å; G91-G102 PolarHBondContact O-N 3.36Å; G102-H105 CarbonylContact C-O 3.5Å; G102-H105 VanDerWaalsContact CA-O 3.26Å; G102-H105 WeakPolarHBondContact CA-O 3.22Å
103T83.1Confident88Confident79 Ų7962.2 Ų62.249%0.48534%0.339SS..SBendtrans-70.3-34.1-178.550.70000114.1G91 D93 P100G91-T103 PolarHBondContact O-N 3.01Å; G91-T103 PolarHBondContact O-OG1 2.82Å; D93-T103 PolarHBondContact N-OG1 3.26Å; P100-T103 HydrophobicContact CB-CG2 3.87Å; P100-T103 HydrophobicContact CG-CG2 4.29Å; P100-T103 WeakPolarHBondContact O-CG2 3.47Å; P100-T103 PolarHBondContact O-OG1 2.93Å
104H84.7Confident88.4Confident121 Ų12164.6 Ų64.656%0.5635%0.35SS*.SBendtrans-93.5-43.3-178.4-178.1-112.3000112.1G91 R92G91-H104 PolarHBondContact O-N 3.1Å; R92-H104 WeakPolarHBondContact O-CB 3.45Å
105H86.1Confident88.7Confident49 Ų4960.6 Ų60.623%0.22733%0.326CS..SBendtrans-152.7160.817261.679.6000109.1S88 G91 G102 D108S88-H105 PolarHBondContact O-CE1 3.26Å; S88-H105 PolarHBondContact O-NE2 3.43Å; G91-H105 VanDerWaalsContact CA-O 3.31Å; G91-H105 WeakPolarHBondContact CA-O 3.4Å; G102-H105 CarbonylContact C-O 3.5Å; G102-H105 VanDerWaalsContact CA-O 3.26Å; G102-H105 WeakPolarHBondContact CA-O 3.22Å; H105-D108 IonicContact CE1-OD2 2.71Å
106P84.4Confident89Confident103 Ų10353.3 Ų53.367%0.66929%0.287SS*.  trans-55.1148.6175.123.7-35.5000111.5D108P106-D108 PolarHBondContact O-N 3.25Å
107V87.6Confident89.3Confident22 Ų2254.7 Ų54.713%0.13329%0.29CS..  trans-60.7125.1-179.9173.90000110.3L21 T27 L90 L101 I109L21-V107 HydrophobicContact CD2-CG1 4.14Å; L21-V107 HydrophobicContact CD2-CG2 4.31Å; T27-V107 HydrophobicContact CG2-CB 4.39Å; T27-V107 HydrophobicContact CG2-CG2 3.69Å; L90-V107 HydrophobicContact CD2-CG1 4.41Å; L90-V107 WeakPolarHBondContact O-CG2 3.31Å; L101-V107 HydrophobicContact CB-CG2 4.24Å; V107-I109 PolarHBondContact O-N 3.5Å
108D90.9Very high89.6Confident45 Ų4554.1 Ų54.124%0.24129%0.291CS..  trans-76.871.7177.9-80.2-14.6000110.6W89 H105 P106 I110 R111 L112W89-D108 HydrophobicContact CB-CB 4.31Å; W89-D108 PolarHBondContact O-N 3.06Å; H105-D108 IonicContact CE1-OD2 2.71Å; P106-D108 PolarHBondContact O-N 3.25Å; D108-I110 PolarHBondContact O-N 2.65Å; D108-R111 HydrophobicContact CB-CB 4.39Å; D108-R111 PolarHBondContact O-N 3.04Å; D108-R111 IonicContact OD2-CZ 2.55Å; D108-R111 IonicContact OD2-NH1 3.22Å; D108-R111 PolarHBondContact OD2-NH1 3.43Å; D108-L112 PolarHBondContact O-N 3.29Å
109I89.4Confident89.9Confident27 Ų2751.7 Ų51.714%0.13828%0.282CS..Hα-helixtrans-60.5-32.4-172.9-161.861.2000113.1L21 A32 T35 F36 V107 L112 T113L21-I109 HydrophobicContact CD1-CD1 3.75Å; A32-I109 HydrophobicContact CB-CD1 4.42Å; A32-I109 HydrophobicContact CB-CG1 4.09Å; A32-I109 WeakPolarHBondContact O-CG1 3.3Å; T35-I109 HydrophobicContact CG2-CG2 4.38Å; F36-I109 HydrophobicContact CB-CD1 3.88Å; F36-I109 HydrophobicContact CB-CG1 4.35Å; F36-I109 HydrophobicContact CD2-CD1 4.14Å; F36-I109 HydrophobicContact CG-CD1 4.34Å; V107-I109 PolarHBondContact O-N 3.5Å; I109-L112 HydrophobicContact CD1-CD2 4.32Å; I109-T113 VanDerWaalsContact O-CB 3.3Å; I109-T113 WeakPolarHBondContact O-CB 3.37Å; I109-T113 PolarHBondContact O-N 3.44Å; I109-T113 PolarHBondContact O-OG1 2.94Å
110I91.8Very high90.2Very high116 Ų11651.4 Ų51.460%0.59528%0.28SS*.Hα-helixtrans-67.9-47.9-178.1-62.6174.4000110.7D108 L112 T113 I114D108-I110 PolarHBondContact O-N 2.65Å; I110-L112 VanDerWaalsContact C-N 3.3Å; I110-L112 PolarHBondContact O-N 3.1Å; I110-T113 PolarHBondContact O-N 3.06Å; I110-I114 HydrophobicContact CG2-CD1 3.9Å; I110-I114 WeakPolarHBondContact O-CG1 3.42Å; I110-I114 PolarHBondContact O-N 3.38Å
111R94.4Very high90.7Very high137 Ų13751.1 Ų51.152%0.51727%0.269SS..Hα-helixtrans-63.4-41.3178.3-67.8178.2177.4163.6-8111W89 D108 I114 A115W89-R111 HydrophobicContact CD2-CB 3.99Å; W89-R111 HydrophobicContact CE3-CB 4.34Å; W89-R111 HydrophobicContact CG-CB 4.33Å; W89-R111 HydrophobicContact CZ2-CB 4.35Å; D108-R111 HydrophobicContact CB-CB 4.39Å; D108-R111 PolarHBondContact O-N 3.04Å; D108-R111 IonicContact OD2-CZ 2.55Å; D108-R111 IonicContact OD2-NH1 3.22Å; D108-R111 PolarHBondContact OD2-NH1 3.43Å; R111-I114 PolarHBondContact O-N 3.42Å; R111-A115 WeakPolarHBondContact O-CB 3.35Å; R111-A115 PolarHBondContact O-N 2.91Å
112L93.6Very high91.2Very high0 Ų052.1 Ų52.10%028%0.275CS..Hα-helixtrans-61.3-45175.1-163.968.1000111.3I17 F36 I86 W89 L90 D108 I109 I110 A115 F116I17-L112 HydrophobicContact CD1-CD2 4.17Å; I17-L112 HydrophobicContact CG1-CD2 4.31Å; I17-L112 HydrophobicContact CG2-CD2 3.48Å; I17-L112 VanDerWaalsContact CG2-CD2 3.48Å; F36-L112 HydrophobicContact CD2-CD2 4.18Å; F36-L112 HydrophobicContact CD2-CG 4.21Å; F36-L112 HydrophobicContact CE2-CB 4.42Å; F36-L112 HydrophobicContact CE2-CD2 4Å; F36-L112 HydrophobicContact CE2-CG 3.75Å; I86-L112 HydrophobicContact CD1-CD1 3.42Å; I86-L112 VanDerWaalsContact CD1-CD1 3.42Å; W89-L112 HydrophobicContact CE3-CD1 4.42Å; L90-L112 HydrophobicContact CD2-CD2 4.15Å; D108-L112 PolarHBondContact O-N 3.29Å; I109-L112 HydrophobicContact CD1-CD2 4.32Å; I110-L112 VanDerWaalsContact C-N 3.3Å; I110-L112 PolarHBondContact O-N 3.1Å; L112-A115 PolarHBondContact O-N 3.19Å; L112-F116 HydrophobicContact CD1-CD2 3.83Å; L112-F116 HydrophobicContact CD1-CE2 3.55Å; L112-F116 HydrophobicContact CG-CD2 4.06Å; L112-F116 HydrophobicContact CG-CE2 4.17Å; L112-F116 WeakPolarHBondContact O-CB 3.28Å; L112-F116 WeakPolarHBondContact O-CD2 3.33Å; L112-F116 PolarHBondContact O-N 2.91Å
113T92.2Very high91.7Very high12 Ų1251.1 Ų51.17%0.07426%0.264CS..Hα-helixtrans-62.3-44.8177.5-570000111.2T35 L38 V39 I109 I110 F117T35-T113 WeakPolarHBondContact O-CG2 3.27Å; L38-T113 HydrophobicContact CB-CG2 4.16Å; V39-T113 HydrophobicContact CG2-CG2 4.1Å; I109-T113 VanDerWaalsContact O-CB 3.3Å; I109-T113 WeakPolarHBondContact O-CB 3.37Å; I109-T113 PolarHBondContact O-N 3.44Å; I109-T113 PolarHBondContact O-OG1 2.94Å; I110-T113 PolarHBondContact O-N 3.06Å; T113-F117 WeakPolarHBondContact O-CB 3.23Å; T113-F117 PolarHBondContact O-N 3.24Å
114I95.6Very high92.1Very high115 Ų11547.3 Ų47.359%0.5924%0.241SC*.Hα-helixtrans-63.3-47.2179.2-68.3166.5000111.2I110 R111 F117 G118I110-I114 HydrophobicContact CG2-CD1 3.9Å; I110-I114 WeakPolarHBondContact O-CG1 3.42Å; I110-I114 PolarHBondContact O-N 3.38Å; R111-I114 PolarHBondContact O-N 3.42Å; I114-F117 PolarHBondContact O-N 2.97Å; I114-G118 PolarHBondContact O-N 2.99Å
115A96Very high92.6Very high16 Ų1641.9 Ų41.913%0.13222%0.216CC..Hα-helixtrans-65.2-46.9179.700000111.6L82 W89 R111 L112 F117 G118 L119L82-A115 HydrophobicContact CD1-CB 4.04Å; W89-A115 HydrophobicContact CH2-CB 4.09Å; W89-A115 HydrophobicContact CZ3-CB 3.59Å; R111-A115 WeakPolarHBondContact O-CB 3.35Å; R111-A115 PolarHBondContact O-N 2.91Å; L112-A115 PolarHBondContact O-N 3.19Å; A115-F117 VanDerWaalsContact C-N 3.29Å; A115-F117 PolarHBondContact O-N 3.34Å; A115-G118 PolarHBondContact O-N 3.37Å; A115-L119 PolarHBondContact O-N 3.33Å
116F94.9Very high93Very high0 Ų039.5 Ų39.50%021%0.205CC..Hα-helixtrans-68.7-28.4177.8-85.2-99.6000112.8L13 S14 I17 F36 V39 L82 I86 L112 L119 T120 F191L13-F116 HydrophobicContact CB-CE1 4.06Å; S14-F116 WeakPolarHBondContact OG-CD1 3.09Å; I17-F116 HydrophobicContact CD1-CE2 4.43Å; I17-F116 HydrophobicContact CD1-CZ 4.17Å; I17-F116 HydrophobicContact CG1-CE1 4.23Å; I17-F116 HydrophobicContact CG1-CE2 4.24Å; I17-F116 HydrophobicContact CG1-CZ 3.89Å; F36-F116 HydrophobicContact CE2-CB 3.9Å; F36-F116 HydrophobicContact CE2-CD2 4.07Å; F36-F116 AromaticContact CE2-CG 3.96Å; F36-F116 HydrophobicContact CE2-CG 3.96Å; F36-F116 HydrophobicContact CZ-CB 3.83Å; F36-F116 AromaticContact CZ-CD1 3.95Å; F36-F116 HydrophobicContact CZ-CD1 3.95Å; F36-F116 HydrophobicContact CZ-CD2 4.15Å; F36-F116 AromaticContact CZ-CG 3.71Å; F36-F116 HydrophobicContact CZ-CG 3.71Å; V39-F116 HydrophobicContact CB-CB 4.32Å; V39-F116 HydrophobicContact CG1-CB 3.73Å; V39-F116 HydrophobicContact CG2-CB 3.56Å; L82-F116 HydrophobicContact CD1-CE2 4.28Å; L82-F116 HydrophobicContact CD2-CD2 4.23Å; L82-F116 HydrophobicContact CD2-CE2 3.59Å; L82-F116 HydrophobicContact CD2-CZ 3.84Å; L82-F116 HydrophobicContact CG-CE2 4.49Å; I86-F116 HydrophobicContact CD1-CE2 4.28Å; L112-F116 HydrophobicContact CD1-CD2 3.83Å; L112-F116 HydrophobicContact CD1-CE2 3.55Å; L112-F116 HydrophobicContact CG-CD2 4.06Å; L112-F116 HydrophobicContact CG-CE2 4.17Å; L112-F116 WeakPolarHBondContact O-CB 3.28Å; L112-F116 WeakPolarHBondContact O-CD2 3.33Å; L112-F116 PolarHBondContact O-N 2.91Å; F116-L119 HydrophobicContact CD1-CD2 4.16Å; F116-L119 HydrophobicContact CE1-CD2 4.33Å; F116-L119 PolarHBondContact O-N 2.96Å; F116-T120 WeakPolarHBondContact O-CG2 3.32Å; F116-T120 PolarHBondContact O-N 3.48Å; F116-T120 PolarHBondContact O-OG1 3.31Å; F116-F191 HydrophobicContact CZ-CZ 4.32Å
117F94.2Very high93.4Very high85 Ų8534.8 Ų34.837%0.37317%0.174SC..Hα-helixtrans-64.7-41.5171.4-178.8-81.5000111.7W41 P42 T113 I114 A115 T120 F121W41-F117 HydrophobicContact CB-CE2 4.33Å; P42-F117 HydrophobicContact CG-CD1 4.48Å; P42-F117 HydrophobicContact CG-CD2 3.92Å; P42-F117 HydrophobicContact CG-CE1 4.24Å; P42-F117 HydrophobicContact CG-CE2 3.67Å; P42-F117 HydrophobicContact CG-CG 4.32Å; P42-F117 HydrophobicContact CG-CZ 3.84Å; T113-F117 WeakPolarHBondContact O-CB 3.23Å; T113-F117 PolarHBondContact O-N 3.24Å; I114-F117 PolarHBondContact O-N 2.97Å; A115-F117 VanDerWaalsContact C-N 3.29Å; A115-F117 PolarHBondContact O-N 3.34Å; F117-T120 PolarHBondContact O-OG1 3.4Å; F117-T120 VanDerWaalsContact O-OG1 3.13Å; F117-F121 WeakPolarHBondContact O-CB 2.83Å; F117-F121 PolarHBondContact O-N 3.43Å
118G95.8Very high93.7Very high22 Ų2233.8 Ų33.823%0.22717%0.168CC..Hα-helixtrans-59.1-50.2171.900000111.5I114 A115 T120 F121 L122I114-G118 PolarHBondContact O-N 2.99Å; A115-G118 PolarHBondContact O-N 3.37Å; G118-T120 PolarHBondContact O-N 2.98Å; G118-F121 WeakPolarHBondContact O-CB 3.34Å; G118-F121 PolarHBondContact O-N 3.39Å; G118-L122 WeakPolarHBondContact O-CG 3.26Å; G118-L122 PolarHBondContact O-N 3.5Å
119L96Very high93.8Very high1 Ų131.7 Ų31.71%0.00516%0.157CC..Hα-helixtrans-57-46.6178-177.266.9000112.6P10 I75 E78 L79 A115 F116 L122 A123P10-L119 HydrophobicContact CB-CD1 4.49Å; P10-L119 HydrophobicContact CB-CD2 4.28Å; P10-L119 HydrophobicContact CB-CG 4.06Å; P10-L119 HydrophobicContact CG-CD1 4.39Å; P10-L119 HydrophobicContact CG-CG 4.48Å; I75-L119 HydrophobicContact CB-CD1 4.49Å; I75-L119 HydrophobicContact CG2-CD1 3.81Å; E78-L119 PolarHBondContact OE1-N 3.32Å; E78-L119 VanDerWaalsContact OE1-N 3.14Å; E78-L119 VanDerWaalsContact OE2-CA 3.23Å; E78-L119 WeakPolarHBondContact OE2-CA 2.98Å; E78-L119 PolarHBondContact OE2-N 3.07Å; E78-L119 VanDerWaalsContact OE2-N 3.13Å; L79-L119 HydrophobicContact CD2-CD1 4Å; L79-L119 HydrophobicContact CD2-CD2 3.97Å; L79-L119 HydrophobicContact CG-CD1 4.06Å; A115-L119 PolarHBondContact O-N 3.33Å; F116-L119 HydrophobicContact CD1-CD2 4.16Å; F116-L119 HydrophobicContact CE1-CD2 4.33Å; F116-L119 PolarHBondContact O-N 2.96Å; L119-L122 PolarHBondContact O-N 3.23Å; L119-A123 WeakPolarHBondContact O-CB 3.23Å; L119-A123 PolarHBondContact O-N 3.47Å
120T91Very high94.1Very high3 Ų330.7 Ų30.72%0.01815%0.152CC..Hα-helixtrans-74.4-29178.755.30000113.1V39 F43 F116 F117 G118 A123 A124V39-T120 HydrophobicContact CG1-CG2 3.51Å; V39-T120 WeakPolarHBondContact O-CB 3.46Å; V39-T120 PolarHBondContact O-OG1 3.09Å; F43-T120 HydrophobicContact CE2-CG2 4.34Å; F116-T120 WeakPolarHBondContact O-CG2 3.32Å; F116-T120 PolarHBondContact O-N 3.48Å; F116-T120 PolarHBondContact O-OG1 3.31Å; F117-T120 PolarHBondContact O-OG1 3.4Å; F117-T120 VanDerWaalsContact O-OG1 3.13Å; G118-T120 PolarHBondContact O-N 2.98Å; T120-A123 PolarHBondContact O-N 3.39Å; T120-A124 VanDerWaalsContact O-CB 3.25Å; T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.48Å
121F94.2Very high94.1Very high85 Ų8525.2 Ų25.237%0.37312%0.124SC..Hα-helixtrans-63.5-43.9171.8179.6-90.4000111.6P42 W49 F117 G118 A124 T125P42-F121 HydrophobicContact CB-CB 4.02Å; P42-F121 HydrophobicContact CB-CD2 4.16Å; P42-F121 HydrophobicContact CG-CB 4Å; P42-F121 HydrophobicContact CG-CD2 4.47Å; W49-F121 HydrophobicContact CD2-CE2 4.35Å; W49-F121 HydrophobicContact CE3-CE2 4.34Å; W49-F121 AromaticContact CH2-CD2 3.92Å; W49-F121 HydrophobicContact CH2-CD2 3.92Å; W49-F121 AromaticContact CH2-CE2 3.76Å; W49-F121 HydrophobicContact CH2-CE2 3.76Å; W49-F121 AromaticContact CZ2-CD2 3.96Å; W49-F121 HydrophobicContact CZ2-CD2 3.96Å; W49-F121 AromaticContact CZ2-CE2 3.76Å; W49-F121 HydrophobicContact CZ2-CE2 3.76Å; W49-F121 HydrophobicContact CZ2-CZ 4.47Å; W49-F121 HydrophobicContact CZ3-CE2 4.06Å; F117-F121 WeakPolarHBondContact O-CB 2.83Å; F117-F121 PolarHBondContact O-N 3.43Å; G118-F121 WeakPolarHBondContact O-CB 3.34Å; G118-F121 PolarHBondContact O-N 3.39Å; F121-A124 PolarHBondContact O-N 3.38Å; F121-T125 PolarHBondContact O-N 2.95Å; F121-T125 PolarHBondContact O-OG1 2.9Å
122L96.7Very high94Very high35 Ų3518.7 Ų18.718%0.18310%0.099CC..Hα-helixtrans-64.5-43.6173.3-65.9173.8000111.5A74 I75 E78 G118 L119 A124 T125 Q126A74-L122 HydrophobicContact CB-CD1 3.57Å; A74-L122 HydrophobicContact CB-CD2 3.9Å; A74-L122 HydrophobicContact CB-CG 4.38Å; I75-L122 HydrophobicContact CD1-CB 4.1Å; I75-L122 HydrophobicContact CG1-CB 3.53Å; I75-L122 HydrophobicContact CG1-CD1 4.1Å; I75-L122 HydrophobicContact CG1-CG 4.49Å; E78-L122 VanDerWaalsContact OE2-CD1 3.28Å; E78-L122 WeakPolarHBondContact OE2-CD1 3.45Å; G118-L122 WeakPolarHBondContact O-CG 3.26Å; G118-L122 PolarHBondContact O-N 3.5Å; L119-L122 PolarHBondContact O-N 3.23Å; L122-A124 VanDerWaalsContact C-N 3.35Å; L122-A124 PolarHBondContact O-N 2.99Å; L122-T125 PolarHBondContact O-N 3.49Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 PolarHBondContact O-N 3.17Å
123A93.5Very high93.9Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-62.9-38.7176.900000112.6P10 F43 I75 L119 T120 T125 Q126 D127P10-A123 HydrophobicContact CB-CB 3.87Å; P10-A123 HydrophobicContact CG-CB 4.03Å; F43-A123 HydrophobicContact CE2-CB 4.4Å; F43-A123 HydrophobicContact CZ-CB 3.97Å; I75-A123 HydrophobicContact CD1-CB 4.45Å; L119-A123 WeakPolarHBondContact O-CB 3.23Å; L119-A123 PolarHBondContact O-N 3.47Å; T120-A123 PolarHBondContact O-N 3.39Å; A123-T125 VanDerWaalsContact C-N 3.34Å; A123-Q126 WeakPolarHBondContact O-CB 3.3Å; A123-Q126 PolarHBondContact O-N 3.27Å; A123-D127 WeakPolarHBondContact O-CB 3.46Å; A123-D127 PolarHBondContact O-N 2.94Å
124A91.9Very high93.9Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-66.8-35.717500000111.9P42 F43 K46 W49 T120 F121 L122 D127 I128P42-A124 HydrophobicContact CB-CB 4.24Å; F43-A124 HydrophobicContact CD1-CB 4.03Å; F43-A124 HydrophobicContact CD2-CB 4.39Å; F43-A124 HydrophobicContact CE1-CB 4.1Å; F43-A124 HydrophobicContact CE2-CB 4.46Å; F43-A124 HydrophobicContact CG-CB 4.19Å; F43-A124 HydrophobicContact CZ-CB 4.31Å; K46-A124 HydrophobicContact CB-CB 4.28Å; W49-A124 HydrophobicContact CZ2-CB 4.12Å; T120-A124 VanDerWaalsContact O-CB 3.25Å; T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.48Å; F121-A124 PolarHBondContact O-N 3.38Å; L122-A124 VanDerWaalsContact C-N 3.35Å; L122-A124 PolarHBondContact O-N 2.99Å; A124-D127 PolarHBondContact O-N 3.5Å; A124-I128 WeakPolarHBondContact O-CG1 3.46Å; A124-I128 PolarHBondContact O-N 2.98Å
125T94.9Very high93.6Very high6 Ų614.4 Ų14.44%0.0378%0.077CC..Hα-helixtrans-68.6-41.4173.9-55.70000111.7W49 I53 W67 T71 F121 L122 A123 D127 I128 A129W49-T125 PolarHBondContact NE1-OG1 2.98Å; W49-T125 VanDerWaalsContact NE1-OG1 3.12Å; I53-T125 HydrophobicContact CD1-CG2 3.57Å; I53-T125 HydrophobicContact CG1-CG2 4.24Å; W67-T125 HydrophobicContact CE3-CG2 4.23Å; T71-T125 HydrophobicContact CG2-CG2 3.76Å; F121-T125 PolarHBondContact O-N 2.95Å; F121-T125 PolarHBondContact O-OG1 2.9Å; L122-T125 PolarHBondContact O-N 3.49Å; A123-T125 VanDerWaalsContact C-N 3.34Å; T125-D127 VanDerWaalsContact C-N 3.35Å; T125-I128 PolarHBondContact O-N 2.76Å; T125-A129 PolarHBondContact O-N 3.14Å
126Q94.3Very high93.1Very high0 Ų016.5 Ų16.50%09%0.091CC..Hα-helixtrans-60.3-45173.8-164.9-170.433.600111.1L68 I75 L122 A123 I128 A129 V130L68-Q126 HydrophobicContact CD1-CG 3.71Å; I75-Q126 HydrophobicContact CD1-CB 4.47Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 PolarHBondContact O-N 3.17Å; A123-Q126 WeakPolarHBondContact O-CB 3.3Å; A123-Q126 PolarHBondContact O-N 3.27Å; Q126-I128 PolarHBondContact O-N 3.28Å; Q126-A129 PolarHBondContact O-N 3.49Å; Q126-A129 VanDerWaalsContact O-N 3.13Å; Q126-V130 HydrophobicContact CG-CG2 4.12Å; Q126-V130 VanDerWaalsContact O-CG2 3.28Å; Q126-V130 WeakPolarHBondContact O-CG2 3.46Å; Q126-V130 PolarHBondContact O-N 3.08Å
127D93.4Very high92.7Very high4 Ų420.2 Ų20.22%0.02111%0.11CC..Hα-helixtrans-56.3-46.5178.417384.9000112.6Q7 F43 K46 A123 A124 T125 A129 V130 D131Q7-D127 VanDerWaalsContact CD-OD1 3.27Å; Q7-D127 HydrophobicContact CG-CB 4.41Å; Q7-D127 VanDerWaalsContact NE2-CG 3.29Å; Q7-D127 PolarHBondContact NE2-OD1 3.01Å; Q7-D127 PolarHBondContact OE1-OD1 3.01Å; F43-D127 HydrophobicContact CE1-CB 4.38Å; K46-D127 IonicContact NZ-OD2 3.7Å; K46-D127 PolarHBondContact NZ-OD2 3.2Å; A123-D127 WeakPolarHBondContact O-CB 3.46Å; A123-D127 PolarHBondContact O-N 2.94Å; A124-D127 PolarHBondContact O-N 3.5Å; T125-D127 VanDerWaalsContact C-N 3.35Å; D127-A129 VanDerWaalsContact C-N 3.29Å; D127-A129 PolarHBondContact O-N 3.26Å; D127-V130 PolarHBondContact O-N 3.44Å; D127-D131 WeakPolarHBondContact O-CB 3.1Å; D127-D131 PolarHBondContact O-N 3.38Å
128I93.6Very high92.4Very high0 Ų018.7 Ų18.70%011%0.106CC..Hα-helixtrans-55.1-47.2175.3-62160.1000110.6K46 A50 I53 A124 T125 Q126 G132 G587K46-I128 HydrophobicContact CB-CD1 4.01Å; K46-I128 HydrophobicContact CB-CG1 4.38Å; K46-I128 HydrophobicContact CD-CG1 4.33Å; A50-I128 HydrophobicContact CB-CD1 3.88Å; A50-I128 HydrophobicContact CB-CG1 4.14Å; A50-I128 HydrophobicContact CB-CG2 3.85Å; I53-I128 HydrophobicContact CB-CG2 3.95Å; I53-I128 HydrophobicContact CG1-CD1 4.14Å; I53-I128 HydrophobicContact CG1-CG2 4.27Å; I53-I128 HydrophobicContact CG2-CB 4.44Å; I53-I128 HydrophobicContact CG2-CG2 3.9Å; A124-I128 WeakPolarHBondContact O-CG1 3.46Å; A124-I128 PolarHBondContact O-N 2.98Å; T125-I128 PolarHBondContact O-N 2.76Å; Q126-I128 PolarHBondContact O-N 3.28Å; I128-G132 PolarHBondContact O-N 3.5Å; I128-G132 VanDerWaalsContact O-N 3.11Å; I128-G587 VanDerWaalsContact O-CA 3.29Å; I128-G587 WeakPolarHBondContact O-CA 3.26Å
129A93.8Very high92Very high2 Ų220.7 Ų20.72%0.01712%0.116CC..Hα-helixtrans-68.2-42.6-177.900000112I53 W67 T125 Q126 D127 W133I53-A129 HydrophobicContact CG2-CB 4.29Å; W67-A129 HydrophobicContact CB-CB 4.27Å; T125-A129 PolarHBondContact O-N 3.14Å; Q126-A129 PolarHBondContact O-N 3.49Å; Q126-A129 VanDerWaalsContact O-N 3.13Å; D127-A129 VanDerWaalsContact C-N 3.29Å; D127-A129 PolarHBondContact O-N 3.26Å; A129-W133 WeakPolarHBondContact O-CB 3.18Å; A129-W133 PolarHBondContact O-N 2.96Å
130V94Very high91.4Very high5 Ų530.2 Ų30.23%0.0316%0.158CC..Hα-helixtrans-68-42.9-179.9177.40000111.2L3 Y4 L68 Q126 D127 W133 A134L3-V130 HydrophobicContact CB-CG1 3.92Å; L3-V130 HydrophobicContact CB-CG2 4.01Å; L3-V130 HydrophobicContact CD1-CG1 4.49Å; L3-V130 HydrophobicContact CD1-CG2 4.28Å; Y4-V130 HydrophobicContact CD1-CG1 3.85Å; Y4-V130 HydrophobicContact CD2-CG1 4.36Å; Y4-V130 HydrophobicContact CE1-CB 4.35Å; Y4-V130 HydrophobicContact CE1-CG1 3.49Å; Y4-V130 VanDerWaalsContact CE1-CG1 3.49Å; Y4-V130 HydrophobicContact CE2-CG1 4.06Å; Y4-V130 HydrophobicContact CG-CG1 4.27Å; L68-V130 HydrophobicContact CD1-CG2 3.37Å; Q126-V130 HydrophobicContact CG-CG2 4.12Å; Q126-V130 VanDerWaalsContact O-CG2 3.28Å; Q126-V130 WeakPolarHBondContact O-CG2 3.46Å; Q126-V130 PolarHBondContact O-N 3.08Å; D127-V130 PolarHBondContact O-N 3.44Å; V130-W133 PolarHBondContact O-N 3.33Å; V130-A134 WeakPolarHBondContact O-CB 3.29Å; V130-A134 PolarHBondContact O-N 2.88Å
131D92.5Very high91Very high1 Ų139.5 Ų39.51%0.00520%0.198CC..Hα-helixtrans-63.8-43.6176.7-86-5.6000111.7Y4 D127 W133 A134 N150 M590Y4-D131 WeakPolarHBondContact CE1-OD1 3.39Å; Y4-D131 PolarHBondContact OH-OD1 3.31Å; D127-D131 WeakPolarHBondContact O-CB 3.1Å; D127-D131 PolarHBondContact O-N 3.38Å; D131-W133 VanDerWaalsContact C-N 3.28Å; D131-W133 PolarHBondContact O-N 2.98Å; D131-A134 PolarHBondContact O-N 3.38Å; D131-N150 PolarHBondContact OD1-ND2 2.96Å; D131-M590 HydrophobicContact CB-CB 3.99Å; D131-M590 HydrophobicContact CB-CG 4.39Å
132G91.5Very high90.7Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-64.3-32.4173.800000113.2R64 I128 I135R64-G132 PolarHBondContact NE-O 3.31Å; I128-G132 PolarHBondContact O-N 3.5Å; I128-G132 VanDerWaalsContact O-N 3.11Å; G132-I135 VanDerWaalsContact O-CG1 3.31Å; G132-I135 WeakPolarHBondContact O-CG1 3.48Å
133W91.6Very high90.2Very high16 Ų1638.5 Ų38.56%0.06120%0.197CC..Hα-helixtrans-77.9-35.5177.1-163.426.7000112.7L3 R64 L68 A129 V130 D131 I135 S136 I137 L209 K213L3-W133 HydrophobicContact CD1-CE3 3.79Å; L3-W133 HydrophobicContact CD1-CZ3 3.58Å; R64-W133 HydrophobicContact CB-CB 3.89Å; R64-W133 HydrophobicContact CB-CD2 4.29Å; R64-W133 HydrophobicContact CB-CG 3.78Å; R64-W133 HydrophobicContact CG-CB 3.75Å; R64-W133 HydrophobicContact CG-CG 3.8Å; L68-W133 HydrophobicContact CD2-CE3 3.89Å; L68-W133 HydrophobicContact CD2-CH2 4.5Å; L68-W133 HydrophobicContact CD2-CZ3 3.57Å; A129-W133 WeakPolarHBondContact O-CB 3.18Å; A129-W133 PolarHBondContact O-N 2.96Å; V130-W133 PolarHBondContact O-N 3.33Å; D131-W133 VanDerWaalsContact C-N 3.28Å; D131-W133 PolarHBondContact O-N 2.98Å; W133-I135 PolarHBondContact O-N 3.37Å; W133-S136 PolarHBondContact O-N 2.95Å; W133-S136 VanDerWaalsContact O-N 3.1Å; W133-S136 PolarHBondContact O-OG 2.92Å; W133-I137 HydrophobicContact CD2-CD1 4.46Å; W133-I137 HydrophobicContact CZ2-CD1 4.18Å; W133-I137 VanDerWaalsContact O-CB 3.29Å; W133-I137 WeakPolarHBondContact O-CB 3.29Å; W133-I137 WeakPolarHBondContact O-CG2 3.3Å; W133-I137 PolarHBondContact O-N 3.27Å; W133-L209 HydrophobicContact CH2-CD1 4.45Å; W133-L209 HydrophobicContact CZ3-CD1 4.1Å; W133-K213 HydrophobicContact CH2-CB 4.35Å; W133-K213 HydrophobicContact CH2-CG 3.44Å; W133-K213 VanDerWaalsContact CH2-CG 3.44Å; W133-K213 HydrophobicContact CZ2-CD 4.42Å; W133-K213 HydrophobicContact CZ2-CG 3.62Å
134A92.2Very high89.7Confident11 Ų1139.5 Ų39.59%0.09121%0.206CC..Hα-helixtrans-58.3-36.4179.500000112Y4 V130 D131 I137 L138 A146Y4-A134 HydrophobicContact CE2-CB 4.33Å; Y4-A134 WeakPolarHBondContact OH-CB 2.91Å; V130-A134 WeakPolarHBondContact O-CB 3.29Å; V130-A134 PolarHBondContact O-N 2.88Å; D131-A134 PolarHBondContact O-N 3.38Å; A134-I137 WeakPolarHBondContact O-CG2 3.41Å; A134-L138 WeakPolarHBondContact O-CB 3.32Å; A134-L138 WeakPolarHBondContact O-CD1 3.45Å; A134-L138 WeakPolarHBondContact O-CG 3.45Å; A134-A146 HydrophobicContact CB-CB 4.26Å
135I89.2Confident89.5Confident10 Ų1044.3 Ų44.35%0.05123%0.225CC..Hα-helixtrans-79-22.6178.568.5171000113.9G132 W133 L143 A578 G586 M590G132-I135 VanDerWaalsContact O-CG1 3.31Å; G132-I135 WeakPolarHBondContact O-CG1 3.48Å; W133-I135 PolarHBondContact O-N 3.37Å; I135-L143 HydrophobicContact CB-CD1 3.96Å; I135-L143 HydrophobicContact CG2-CD1 4.05Å; I135-A578 HydrophobicContact CG2-CB 4.11Å; I135-G586 VanDerWaalsContact CD1-CA 3.46Å; I135-M590 HydrophobicContact CG2-CG 4.36Å; I135-M590 HydrophobicContact CG2-SD 4.32Å
136S86.3Confident89.2Confident61 Ų6144.3 Ų44.343%0.42723%0.225SC..Hα-helixtrans-93.7-28177.667.40000113.6W133W133-S136 PolarHBondContact O-N 2.95Å; W133-S136 VanDerWaalsContact O-N 3.1Å; W133-S136 PolarHBondContact O-OG 2.92Å
137I87.2Confident88.9Confident77 Ų7744.3 Ų44.340%0.39523%0.225SC..Hα-helixtrans-79.1-27.1179.9-164.7177.9000113W133 A134 K213W133-I137 HydrophobicContact CD2-CD1 4.46Å; W133-I137 HydrophobicContact CZ2-CD1 4.18Å; W133-I137 VanDerWaalsContact O-CB 3.29Å; W133-I137 WeakPolarHBondContact O-CB 3.29Å; W133-I137 WeakPolarHBondContact O-CG2 3.3Å; W133-I137 PolarHBondContact O-N 3.27Å; A134-I137 WeakPolarHBondContact O-CG2 3.41Å; I137-K213 HydrophobicContact CD1-CD 4.41Å
138L87.5Confident88.8Confident53 Ų5344.1 Ų44.128%0.27722%0.224SC..SBendtrans-92.6134.7-177.9-73.4166.9000110.7A134 N142 A146A134-L138 WeakPolarHBondContact O-CB 3.32Å; A134-L138 WeakPolarHBondContact O-CD1 3.45Å; A134-L138 WeakPolarHBondContact O-CG 3.45Å; L138-N142 HydrophobicContact CD2-CB 4.47Å; L138-A146 HydrophobicContact CD1-CB 3.64Å
139S86Confident88.7Confident65 Ų6545.4 Ų45.446%0.45523%0.233SC..  trans-58.4146.8169.760.90000110.9K141 N142 L143S139-K141 PolarHBondContact O-N 3.44Å; S139-N142 CarbonylContact O-C 3.6Å; S139-N142 WeakPolarHBondContact O-CA 3.37Å; S139-N142 PolarHBondContact O-N 3.16Å; S139-N142 PolarHBondContact OG-ND2 3.21Å; S139-N142 VanDerWaalsContact OG-ND2 3.13Å; S139-L143 PolarHBondContact O-N 3.44Å; S139-L143 VanDerWaalsContact O-N 3.12Å
140K83.7Confident88.5Confident200 Ų20045.9 Ų45.987%0.8724%0.235SC*.G310 helixtrans-47.6-40.2-180-66.2-177.7-179.4176.20114N142 L143K140-N142 VanDerWaalsContact C-N 3.29Å; K140-N142 PolarHBondContact O-N 3.21Å; K140-L143 WeakPolarHBondContact O-CB 3.24Å; K140-L143 PolarHBondContact O-N 2.71Å
141K83.8Confident88.2Confident198 Ų19846 Ų4686%0.86124%0.236SC*.G310 helixtrans-64-30.1177.7-173.3175.1-179.4175.90113.9S139S139-K141 PolarHBondContact O-N 3.44Å
142N87Confident88.1Confident70 Ų7046 Ų4637%0.37424%0.236SC..G310 helixtrans-104.85.4-177.4-65.9-38.4000113L138 S139 K140 G144 W145L138-N142 HydrophobicContact CD2-CB 4.47Å; S139-N142 CarbonylContact O-C 3.6Å; S139-N142 WeakPolarHBondContact O-CA 3.37Å; S139-N142 PolarHBondContact O-N 3.16Å; S139-N142 PolarHBondContact OG-ND2 3.21Å; S139-N142 VanDerWaalsContact OG-ND2 3.13Å; K140-N142 VanDerWaalsContact C-N 3.29Å; K140-N142 PolarHBondContact O-N 3.21Å; N142-G144 PolarHBondContact O-N 3.22Å; N142-G144 VanDerWaalsContact O-N 3.17Å; N142-W145 WeakPolarHBondContact O-CB 3.4Å; N142-W145 PolarHBondContact O-N 3.04Å
143L86Confident88.1Confident30 Ų3046 Ų4616%0.15724%0.236CC..THydrogen-bonded Turntrans-59.3-30.2-176.7-172.860.7000112.5I135 S139 K140 W145 A146 A578I135-L143 HydrophobicContact CB-CD1 3.96Å; I135-L143 HydrophobicContact CG2-CD1 4.05Å; S139-L143 PolarHBondContact O-N 3.44Å; S139-L143 VanDerWaalsContact O-N 3.12Å; K140-L143 WeakPolarHBondContact O-CB 3.24Å; K140-L143 PolarHBondContact O-N 2.71Å; L143-W145 PolarHBondContact O-N 3.24Å; L143-A146 WeakPolarHBondContact O-CB 3.19Å; L143-A146 PolarHBondContact O-N 2.88Å; L143-A578 HydrophobicContact CD1-CB 4.47Å; L143-A578 WeakPolarHBondContact CD2-O 3.48Å; L143-A578 HydrophobicContact CG-CB 4.31Å
144G83.2Confident88.1Confident20 Ų2047.2 Ų47.221%0.20624%0.242CC..Hα-helixtrans-58.9-30.1173.300000113.8N142 A146 S147 N472N142-G144 PolarHBondContact O-N 3.22Å; N142-G144 VanDerWaalsContact O-N 3.17Å; G144-A146 PolarHBondContact O-N 3.28Å; G144-S147 PolarHBondContact O-N 2.67Å; G144-S147 PolarHBondContact O-OG 3.14Å; G144-N472 PolarHBondContact O-ND2 3.07Å; G144-N472 PolarHBondContact O-OD1 3.28Å
145W87.9Confident87.9Confident102 Ų10247.7 Ų47.739%0.38624%0.244SC..Hα-helixtrans-68-17.1175.8-69.696.4000113.3N142 L143 S147 T148 C149 T468 N472N142-W145 WeakPolarHBondContact O-CB 3.4Å; N142-W145 PolarHBondContact O-N 3.04Å; L143-W145 PolarHBondContact O-N 3.24Å; W145-S147 VanDerWaalsContact C-N 3.27Å; W145-S147 PolarHBondContact O-N 3.05Å; W145-T148 HydrophobicContact CE3-CG2 4.37Å; W145-T148 HydrophobicContact CZ3-CG2 4.5Å; W145-T148 PolarHBondContact O-N 3.2Å; W145-C149 WeakPolarHBondContact O-CB 3.3Å; W145-C149 PolarHBondContact O-N 3.19Å; W145-C149 PolarHBondContact O-SG 3.46Å; W145-T468 HydrophobicContact CD2-CG2 3.85Å; W145-T468 HydrophobicContact CE3-CG2 3.56Å; W145-T468 HydrophobicContact CH2-CG2 3.77Å; W145-T468 HydrophobicContact CZ2-CG2 4.06Å; W145-T468 HydrophobicContact CZ3-CG2 3.51Å; W145-N472 PolarHBondContact N-ND2 2.78Å
146A89.6Confident88Confident5 Ų550 Ų504%0.04126%0.256CS..Hα-helixtrans-56.4-45.7172.300000110.5A134 L138 L143 G144 T148 C149 N150 A578A134-A146 HydrophobicContact CB-CB 4.26Å; L138-A146 HydrophobicContact CD1-CB 3.64Å; L143-A146 WeakPolarHBondContact O-CB 3.19Å; L143-A146 PolarHBondContact O-N 2.88Å; G144-A146 PolarHBondContact O-N 3.28Å; A146-T148 PolarHBondContact O-N 2.99Å; A146-C149 WeakPolarHBondContact O-CB 3.22Å; A146-C149 PolarHBondContact O-N 3.17Å; A146-N150 WeakPolarHBondContact O-CB 3.39Å; A146-N150 PolarHBondContact O-N 2.93Å; A146-A578 HydrophobicContact CB-CB 4.39Å
147S88Confident88.3Confident0 Ų047.1 Ų47.10%024%0.236CC..Hα-helixtrans-61.9-44.4179.770.70000112.7G144 W145 N150 V151 V571G144-S147 PolarHBondContact O-N 2.67Å; G144-S147 PolarHBondContact O-OG 3.14Å; W145-S147 VanDerWaalsContact C-N 3.27Å; W145-S147 PolarHBondContact O-N 3.05Å; S147-N150 PolarHBondContact O-N 2.91Å; S147-V151 WeakPolarHBondContact O-CG2 3.33Å; S147-V151 PolarHBondContact O-N 3.3Å; S147-V571 WeakPolarHBondContact CB-O 3.39Å
148T89.7Confident88.5Confident0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-65.5-43.3177.2-600000110.3W145 A146 N150 V152 L465 T468W145-T148 HydrophobicContact CE3-CG2 4.37Å; W145-T148 HydrophobicContact CZ3-CG2 4.5Å; W145-T148 PolarHBondContact O-N 3.2Å; A146-T148 PolarHBondContact O-N 2.99Å; T148-N150 VanDerWaalsContact C-N 3.3Å; T148-N150 PolarHBondContact O-N 3.47Å; T148-V152 HydrophobicContact CG2-CG2 3.86Å; T148-V152 WeakPolarHBondContact O-CB 3.28Å; T148-V152 WeakPolarHBondContact O-CG2 3.28Å; T148-V152 PolarHBondContact O-N 3.22Å; T148-L465 HydrophobicContact CG2-CD2 3.85Å; T148-T468 HydrophobicContact CG2-CG2 4.27Å; T148-T468 WeakPolarHBondContact CG2-OG1 3.46Å; T148-T468 WeakPolarHBondContact OG1-CG2 3.17Å; T148-T468 PolarHBondContact OG1-OG1 2.99Å
149C91.4Very high88.7Confident27 Ų2744.8 Ų44.818%0.18222%0.221CC..Hα-helixtrans-60.8-40.6176.3-74.60000112.7M1 Y4 W145 A146 G153M1-C149 HydrophobicContact CE-CB 4.27Å; M1-C149 HydrophobicContact SD-CB 4.34Å; M1-C149 VanDerWaalsContact SD-O 3.4Å; Y4-C149 WeakPolarHBondContact CB-O 3.27Å; Y4-C149 HydrophobicContact CD2-CB 3.93Å; Y4-C149 WeakPolarHBondContact CD2-O 3.48Å; Y4-C149 HydrophobicContact CE2-CB 4.06Å; W145-C149 WeakPolarHBondContact O-CB 3.3Å; W145-C149 PolarHBondContact O-N 3.19Å; W145-C149 PolarHBondContact O-SG 3.46Å; A146-C149 WeakPolarHBondContact O-CB 3.22Å; A146-C149 PolarHBondContact O-N 3.17Å; C149-G153 WeakPolarHBondContact O-CA 3.38Å; C149-G153 PolarHBondContact O-N 3.41Å
150N90.4Very high89Confident13 Ų1343.2 Ų43.27%0.0721%0.209CC..Hα-helixtrans-63.4-60.9177.4177-67.7000110.1Y4 D131 A146 S147 T148 G153 Q154Y4-N150 HydrophobicContact CD1-CB 4.21Å; Y4-N150 HydrophobicContact CD2-CB 4.27Å; Y4-N150 HydrophobicContact CE1-CB 3.83Å; Y4-N150 WeakPolarHBondContact CE1-ND2 3.22Å; Y4-N150 HydrophobicContact CE2-CB 3.89Å; Y4-N150 HydrophobicContact CG-CB 4.41Å; D131-N150 PolarHBondContact OD1-ND2 2.96Å; A146-N150 WeakPolarHBondContact O-CB 3.39Å; A146-N150 PolarHBondContact O-N 2.93Å; S147-N150 PolarHBondContact O-N 2.91Å; T148-N150 VanDerWaalsContact C-N 3.3Å; T148-N150 PolarHBondContact O-N 3.47Å; N150-G153 PolarHBondContact O-N 2.99Å; N150-Q154 PolarHBondContact ND2-NE2 3.46Å; N150-Q154 WeakPolarHBondContact O-CB 3.22Å; N150-Q154 WeakPolarHBondContact O-CG 3.43Å; N150-Q154 PolarHBondContact O-N 2.95Å; N150-Q154 PolarHBondContact OD1-NE2 3.43Å
151V87.2Confident89.5Confident6 Ų633.7 Ų33.74%0.03617%0.167CC..Hα-helixtrans-60.5-54.5-175.7171.90000111.5S147 G153 T155 P464 M570 V571S147-V151 WeakPolarHBondContact O-CG2 3.33Å; S147-V151 PolarHBondContact O-N 3.3Å; V151-G153 PolarHBondContact O-N 2.89Å; V151-T155 WeakPolarHBondContact O-CB 3.33Å; V151-T155 PolarHBondContact O-N 3.33Å; V151-T155 PolarHBondContact O-OG1 2.64Å; V151-P464 HydrophobicContact CG1-CB 4.42Å; V151-P464 HydrophobicContact CG1-CG 3.74Å; V151-M570 HydrophobicContact CB-CE 4.15Å; V151-M570 HydrophobicContact CG1-CE 3.3Å; V151-M570 HydrophobicContact CG2-CE 3.8Å; V151-M570 HydrophobicContact CG2-CG 4.46Å; V151-V571 HydrophobicContact CB-CG2 4.26Å; V151-V571 HydrophobicContact CG1-CG2 4.16Å; V151-V571 HydrophobicContact CG2-CG2 4.13Å
152V90.1Very high89.8Confident1 Ų125 Ų251%0.00613%0.129CC..Hα-helixtrans-63.4-45.9-176.9175.80000110.8M1 T148 T155 I156 A461 P464 L465M1-V152 HydrophobicContact CE-CB 4.03Å; M1-V152 HydrophobicContact CE-CG1 4.07Å; M1-V152 HydrophobicContact SD-CB 4.14Å; M1-V152 HydrophobicContact SD-CG1 4.16Å; T148-V152 HydrophobicContact CG2-CG2 3.86Å; T148-V152 WeakPolarHBondContact O-CB 3.28Å; T148-V152 WeakPolarHBondContact O-CG2 3.28Å; T148-V152 PolarHBondContact O-N 3.22Å; V152-T155 PolarHBondContact O-N 3.39Å; V152-I156 HydrophobicContact CG1-CD1 3.61Å; V152-I156 HydrophobicContact CG1-CG1 4.24Å; V152-I156 WeakPolarHBondContact O-CB 3.49Å; V152-I156 VanDerWaalsContact O-CG1 3.27Å; V152-I156 WeakPolarHBondContact O-CG1 3.24Å; V152-I156 PolarHBondContact O-N 3Å; V152-A461 WeakPolarHBondContact CG1-O 3.29Å; V152-P464 HydrophobicContact CG2-CB 3.5Å; V152-P464 HydrophobicContact CG2-CG 4Å; V152-L465 HydrophobicContact CB-CD2 4.41Å; V152-L465 HydrophobicContact CG1-CD1 4.05Å; V152-L465 HydrophobicContact CG1-CD2 4.09Å; V152-L465 HydrophobicContact CG1-CG 4Å; V152-L465 HydrophobicContact CG2-CD2 3.85Å; V152-L465 HydrophobicContact CG2-CG 3.79Å
153G92.1Very high89.9Confident0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-59.4-54.9-178.800000110.8Y4 I5 C149 N150 V151 T155 I156 G157Y4-G153 VanDerWaalsContact C-C 3.47Å; Y4-G153 CarbonylContact O-C 3.43Å; I5-G153 VanDerWaalsContact CA-O 3.22Å; I5-G153 WeakPolarHBondContact CA-O 3.5Å; C149-G153 WeakPolarHBondContact O-CA 3.38Å; C149-G153 PolarHBondContact O-N 3.41Å; N150-G153 PolarHBondContact O-N 2.99Å; V151-G153 PolarHBondContact O-N 2.89Å; G153-T155 VanDerWaalsContact C-N 3.33Å; G153-T155 PolarHBondContact O-N 3.29Å; G153-I156 PolarHBondContact O-N 2.81Å; G153-G157 PolarHBondContact O-N 3.26Å
154Q91.2Very high90.2Very high43 Ų4325.2 Ų25.220%0.20113%0.13CC..Hα-helixtrans-60-41.4-179.9-70.1-175.327.800112Y4 Q7 G8 N150 G157 Y158Y4-Q154 HydrophobicContact CD1-CG 4.29Å; Y4-Q154 WeakPolarHBondContact O-CA 3.35Å; Y4-Q154 PolarHBondContact O-N 2.97Å; Q7-Q154 VanDerWaalsContact OE1-NE2 3.15Å; G8-Q154 WeakPolarHBondContact CA-O 3.28Å; N150-Q154 PolarHBondContact ND2-NE2 3.46Å; N150-Q154 WeakPolarHBondContact O-CB 3.22Å; N150-Q154 WeakPolarHBondContact O-CG 3.43Å; N150-Q154 PolarHBondContact O-N 2.95Å; N150-Q154 PolarHBondContact OD1-NE2 3.43Å; Q154-G157 PolarHBondContact O-N 2.67Å; Q154-Y158 VanDerWaalsContact O-CB 3.27Å; Q154-Y158 WeakPolarHBondContact O-CB 3.46Å; Q154-Y158 PolarHBondContact O-N 3.24Å
155T88.3Confident90.7Very high21 Ų2124.3 Ų24.313%0.12912%0.121CC..Hα-helixtrans-65.2-42.7177.5-53.60000112.3V151 V152 G153 G157 Y158 V159 Q460 A461V151-T155 WeakPolarHBondContact O-CB 3.33Å; V151-T155 PolarHBondContact O-N 3.33Å; V151-T155 PolarHBondContact O-OG1 2.64Å; V152-T155 PolarHBondContact O-N 3.39Å; G153-T155 VanDerWaalsContact C-N 3.33Å; G153-T155 PolarHBondContact O-N 3.29Å; T155-G157 VanDerWaalsContact C-N 3.35Å; T155-G157 PolarHBondContact O-N 2.83Å; T155-Y158 PolarHBondContact O-N 3.4Å; T155-V159 HydrophobicContact CG2-CG2 4.18Å; T155-V159 WeakPolarHBondContact O-CB 3.19Å; T155-V159 VanDerWaalsContact O-CG2 3.27Å; T155-V159 WeakPolarHBondContact O-CG2 2.95Å; T155-V159 PolarHBondContact O-N 3.06Å; T155-Q460 HydrophobicContact CG2-CB 4.11Å; T155-A461 HydrophobicContact CG2-CB 3.81Å
156I92Very high90.8Very high59 Ų5920.6 Ų20.630%0.30311%0.108SC..Hα-helixtrans-60.4-46.8176.1-70.5172.8000110.3I5 V152 G153 V159 T160 A461I5-I156 HydrophobicContact CD1-CG2 4.33Å; I5-I156 HydrophobicContact CG1-CB 4.34Å; I5-I156 HydrophobicContact CG1-CG2 4.31Å; I5-I156 HydrophobicContact CG2-CG2 4.22Å; V152-I156 HydrophobicContact CG1-CD1 3.61Å; V152-I156 HydrophobicContact CG1-CG1 4.24Å; V152-I156 WeakPolarHBondContact O-CB 3.49Å; V152-I156 VanDerWaalsContact O-CG1 3.27Å; V152-I156 WeakPolarHBondContact O-CG1 3.24Å; V152-I156 PolarHBondContact O-N 3Å; G153-I156 PolarHBondContact O-N 2.81Å; I156-V159 PolarHBondContact O-N 3.1Å; I156-T160 VanDerWaalsContact O-CB 3.26Å; I156-T160 WeakPolarHBondContact O-CB 3.42Å; I156-T160 PolarHBondContact O-N 3.28Å; I156-T160 PolarHBondContact O-OG1 3.1Å; I156-A461 HydrophobicContact CG1-CB 3.82Å
157G93Very high90.8Very high0 Ų022.3 Ų22.30%012%0.12CC..Hα-helixtrans-58-50.8175.600000111.6I5 G8 I9 G153 Q154 T155 V159 T160 A161I5-G157 VanDerWaalsContact O-CA 3.28Å; I5-G157 WeakPolarHBondContact O-CA 3.41Å; G8-G157 VanDerWaalsContact C-C 3.46Å; G8-G157 CarbonylContact O-C 3.36Å; I9-G157 WeakPolarHBondContact CD1-O 3.11Å; G153-G157 PolarHBondContact O-N 3.26Å; Q154-G157 PolarHBondContact O-N 2.67Å; T155-G157 VanDerWaalsContact C-N 3.35Å; T155-G157 PolarHBondContact O-N 2.83Å; G157-V159 PolarHBondContact O-N 3.41Å; G157-T160 PolarHBondContact O-N 3.28Å; G157-A161 WeakPolarHBondContact O-CB 3.24Å; G157-A161 PolarHBondContact O-N 3.11Å
158Y91.5Very high91Very high58 Ų5823.8 Ų23.823%0.22713%0.127CC..Hα-helixtrans-57.4-49.9179.6-178.4-88.2000112.4G8 I11 A15 Q154 T155 T160 A161 F162 M457G8-Y158 VanDerWaalsContact O-CA 3.31Å; G8-Y158 WeakPolarHBondContact O-CA 3.42Å; G8-Y158 PolarHBondContact O-N 2.92Å; I11-Y158 HydrophobicContact CB-CD2 4.22Å; I11-Y158 HydrophobicContact CG2-CD2 3.73Å; I11-Y158 HydrophobicContact CG2-CE2 4.03Å; A15-Y158 HydrophobicContact CB-CE2 3.61Å; A15-Y158 WeakPolarHBondContact CB-OH 3.35Å; Q154-Y158 VanDerWaalsContact O-CB 3.27Å; Q154-Y158 WeakPolarHBondContact O-CB 3.46Å; Q154-Y158 PolarHBondContact O-N 3.24Å; T155-Y158 PolarHBondContact O-N 3.4Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.28Å; Y158-A161 PolarHBondContact O-N 3Å; Y158-F162 HydrophobicContact CE1-CB 4.37Å; Y158-F162 AromaticContact CE1-CD1 3.61Å; Y158-F162 HydrophobicContact CE1-CD1 3.61Å; Y158-F162 HydrophobicContact CE1-CE1 4.39Å; Y158-F162 HydrophobicContact CE1-CG 4.44Å; Y158-F162 AromaticContact CZ-CD1 3.82Å; Y158-F162 WeakPolarHBondContact O-CB 3.4Å; Y158-F162 PolarHBondContact O-N 3.36Å; Y158-M457 HydrophobicContact CD1-SD 4.09Å; Y158-M457 HydrophobicContact CE1-CE 3.67Å; Y158-M457 HydrophobicContact CE1-SD 3.56Å; Y158-M457 VanDerWaalsContact CE1-SD 3.56Å
159V90.6Very high91.1Very high22 Ų2224.6 Ų24.613%0.13313%0.131CC..Hα-helixtrans-60.3-42.5177.8166.20000111.4T155 I156 G157 I163 L164 M457 P458T155-V159 HydrophobicContact CG2-CG2 4.18Å; T155-V159 WeakPolarHBondContact O-CB 3.19Å; T155-V159 VanDerWaalsContact O-CG2 3.27Å; T155-V159 WeakPolarHBondContact O-CG2 2.95Å; T155-V159 PolarHBondContact O-N 3.06Å; I156-V159 PolarHBondContact O-N 3.1Å; G157-V159 PolarHBondContact O-N 3.41Å; V159-I163 HydrophobicContact CG1-CB 4.4Å; V159-I163 HydrophobicContact CG1-CD1 4.1Å; V159-I163 HydrophobicContact CG2-CD1 4.22Å; V159-I163 WeakPolarHBondContact O-CA 3.08Å; V159-I163 WeakPolarHBondContact O-CB 3.34Å; V159-I163 PolarHBondContact O-N 2.88Å; V159-L164 PolarHBondContact O-N 2.73Å; V159-L164 VanDerWaalsContact O-N 3.11Å; V159-M457 HydrophobicContact CG2-CB 3.5Å; V159-M457 VanDerWaalsContact CG2-CB 3.5Å; V159-P458 HydrophobicContact CG1-CG 4.35Å
160T93Very high90.9Very high33 Ų3324.9 Ų24.920%0.20213%0.133CC..Iπ-helixtrans-65.4-43.3180-57.50000111.1I9 I156 G157 Y158 L164 F165 F194 W198I9-T160 HydrophobicContact CD1-CG2 4.31Å; I156-T160 VanDerWaalsContact O-CB 3.26Å; I156-T160 WeakPolarHBondContact O-CB 3.42Å; I156-T160 PolarHBondContact O-N 3.28Å; I156-T160 PolarHBondContact O-OG1 3.1Å; G157-T160 PolarHBondContact O-N 3.28Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.28Å; T160-L164 HydrophobicContact CG2-CD2 3.88Å; T160-L164 WeakPolarHBondContact O-CB 3.4Å; T160-F165 PolarHBondContact O-N 2.86Å; T160-F194 WeakPolarHBondContact O-CZ 3.47Å; T160-W198 HydrophobicContact CG2-CH2 4.42Å; T160-W198 HydrophobicContact CG2-CZ2 3.62Å
161A94.1Very high90.8Very high0 Ų026 Ų260%014%0.141CC..Iπ-helixtrans-81-18.9-178.500000114.7I9 L13 G157 Y158 F165I9-A161 HydrophobicContact CB-CB 4.35Å; I9-A161 HydrophobicContact CD1-CB 3.97Å; I9-A161 HydrophobicContact CG2-CB 4.12Å; I9-A161 WeakPolarHBondContact O-CB 3.35Å; L13-A161 HydrophobicContact CD2-CB 4.5Å; L13-A161 HydrophobicContact CG-CB 4.01Å; G157-A161 WeakPolarHBondContact O-CB 3.24Å; G157-A161 PolarHBondContact O-N 3.11Å; Y158-A161 PolarHBondContact O-N 3Å; A161-F165 WeakPolarHBondContact O-CB 3.42Å
162F90.3Very high90.8Very high14 Ų1430.8 Ų30.86%0.06117%0.166CC..Iπ-helixtrans-103.1-66.6178.5-177.3-152.9000112A15 F19 Y158 L166 V454 M457A15-F162 HydrophobicContact CB-CD1 4.31Å; A15-F162 HydrophobicContact CB-CD2 4.47Å; A15-F162 HydrophobicContact CB-CG 4.28Å; F19-F162 HydrophobicContact CB-CE2 3.8Å; F19-F162 HydrophobicContact CB-CZ 4.12Å; F19-F162 HydrophobicContact CD2-CE2 4.49Å; F19-F162 HydrophobicContact CD2-CZ 4.21Å; F19-F162 HydrophobicContact CG-CE2 4.05Å; F19-F162 HydrophobicContact CG-CZ 4.21Å; Y158-F162 HydrophobicContact CE1-CB 4.37Å; Y158-F162 AromaticContact CE1-CD1 3.61Å; Y158-F162 HydrophobicContact CE1-CD1 3.61Å; Y158-F162 HydrophobicContact CE1-CE1 4.39Å; Y158-F162 HydrophobicContact CE1-CG 4.44Å; Y158-F162 AromaticContact CZ-CD1 3.82Å; Y158-F162 WeakPolarHBondContact O-CB 3.4Å; Y158-F162 PolarHBondContact O-N 3.36Å; F162-L166 HydrophobicContact CD2-CD1 3.68Å; F162-L166 HydrophobicContact CD2-CG 4.4Å; F162-L166 HydrophobicContact CE2-CD1 3.46Å; F162-L166 VanDerWaalsContact CE2-CD1 3.46Å; F162-L166 HydrophobicContact CZ-CD1 4.44Å; F162-L166 WeakPolarHBondContact O-CB 3.32Å; F162-L166 VanDerWaalsContact O-CG 3.23Å; F162-L166 WeakPolarHBondContact O-CG 3.48Å; F162-L166 PolarHBondContact O-N 3.35Å; F162-L166 VanDerWaalsContact O-N 3.07Å; F162-V454 HydrophobicContact CE1-CG2 4.11Å; F162-V454 HydrophobicContact CZ-CG2 4.36Å; F162-M457 HydrophobicContact CD1-CE 4.37Å; F162-M457 HydrophobicContact CD1-SD 4.22Å; F162-M457 HydrophobicContact CE1-CE 4.17Å; F162-M457 HydrophobicContact CE1-SD 4.48Å
163I88.7Confident90.6Very high25 Ų2533.6 Ų33.613%0.12818%0.181CC..Iπ-helixtrans-74.2-54.3-171.2-56.4176.2000110.6V159 F165 L166 C167 V454 M457V159-I163 HydrophobicContact CG1-CB 4.4Å; V159-I163 HydrophobicContact CG1-CD1 4.1Å; V159-I163 HydrophobicContact CG2-CD1 4.22Å; V159-I163 WeakPolarHBondContact O-CA 3.08Å; V159-I163 WeakPolarHBondContact O-CB 3.34Å; V159-I163 PolarHBondContact O-N 2.88Å; I163-F165 VanDerWaalsContact C-N 3.28Å; I163-F165 PolarHBondContact O-N 2.63Å; I163-L166 PolarHBondContact O-N 3.48Å; I163-C167 PolarHBondContact O-N 3.44Å; I163-C167 PolarHBondContact O-SG 3.09Å; I163-C167 VanDerWaalsContact O-SG 3.36Å; I163-V454 HydrophobicContact CB-CG1 4.42Å; I163-V454 HydrophobicContact CD1-CB 4.26Å; I163-V454 HydrophobicContact CD1-CG1 3.71Å; I163-V454 WeakPolarHBondContact CD1-O 3.49Å; I163-V454 HydrophobicContact CG1-CB 4.45Å; I163-V454 HydrophobicContact CG1-CG1 3.77Å; I163-V454 HydrophobicContact CG1-CG2 4.41Å; I163-V454 HydrophobicContact CG2-CG1 3.87Å; I163-M457 HydrophobicContact CD1-CB 3.96Å; I163-M457 HydrophobicContact CD1-CG 4.46Å; I163-M457 HydrophobicContact CD1-SD 3.74Å; I163-M457 HydrophobicContact CG1-SD 4.34Å
164L91.3Very high90.2Very high81 Ų8133.6 Ų33.642%0.42418%0.181SC..Iπ-helixtrans-61.5-43.1-179176.668.3000109.8V159 T160 L166 C167 L168V159-L164 PolarHBondContact O-N 2.73Å; V159-L164 VanDerWaalsContact O-N 3.11Å; T160-L164 HydrophobicContact CG2-CD2 3.88Å; T160-L164 WeakPolarHBondContact O-CB 3.4Å; L164-L166 PolarHBondContact O-N 2.95Å; L164-C167 PolarHBondContact O-N 3.11Å; L164-L168 HydrophobicContact CD1-CD1 3.96Å; L164-L168 HydrophobicContact CD1-CD2 4.34Å; L164-L168 HydrophobicContact CD1-CG 3.94Å; L164-L168 HydrophobicContact CD2-CD1 4.32Å; L164-L168 HydrophobicContact CG-CD1 3.75Å; L164-L168 HydrophobicContact CG-CG 4.14Å; L164-L168 WeakPolarHBondContact O-CB 3.39Å; L164-L168 WeakPolarHBondContact O-CG 3.32Å; L164-L168 PolarHBondContact O-N 3.37Å
165F94Very high90.1Very high0 Ų032.6 Ų32.60%018%0.177CC..Hα-helixtrans-51.4-55.7172.3168.4-118.9000112.8M20 T160 A161 I163 C167 L168 E169 F191 F194M20-F165 HydrophobicContact SD-CE1 3.84Å; M20-F165 HydrophobicContact SD-CZ 4.25Å; T160-F165 PolarHBondContact O-N 2.86Å; A161-F165 WeakPolarHBondContact O-CB 3.42Å; I163-F165 VanDerWaalsContact C-N 3.28Å; I163-F165 PolarHBondContact O-N 2.63Å; F165-C167 VanDerWaalsContact C-N 3.32Å; F165-C167 PolarHBondContact O-N 3.4Å; F165-L168 PolarHBondContact O-N 2.95Å; F165-L168 VanDerWaalsContact O-N 3.16Å; F165-E169 HydrophobicContact CE2-CB 4Å; F165-E169 HydrophobicContact CE2-CG 4.33Å; F165-E169 HydrophobicContact CZ-CB 4.3Å; F165-E169 HydrophobicContact CZ-CG 4.39Å; F165-E169 WeakPolarHBondContact O-CB 3.06Å; F165-E169 PolarHBondContact O-N 3.29Å; F165-F191 HydrophobicContact CE1-CD1 4.28Å; F165-F191 HydrophobicContact CE1-CE1 4.25Å; F165-F191 HydrophobicContact CE1-CE2 4.45Å; F165-F191 HydrophobicContact CE1-CG 4.45Å; F165-F191 HydrophobicContact CE1-CZ 4.34Å; F165-F191 HydrophobicContact CE2-CB 4.06Å; F165-F191 AromaticContact CE2-CD1 3.71Å; F165-F191 HydrophobicContact CE2-CD1 3.71Å; F165-F191 HydrophobicContact CE2-CE1 4.37Å; F165-F191 AromaticContact CE2-CG 3.93Å; F165-F191 HydrophobicContact CE2-CG 3.93Å; F165-F191 HydrophobicContact CZ-CB 3.91Å; F165-F191 AromaticContact CZ-CD1 3.46Å; F165-F191 HydrophobicContact CZ-CD1 3.46Å; F165-F191 VanDerWaalsContact CZ-CD1 3.46Å; F165-F191 AromaticContact CZ-CD2 3.81Å; F165-F191 HydrophobicContact CZ-CD2 3.81Å; F165-F191 AromaticContact CZ-CE1 3.87Å; F165-F191 HydrophobicContact CZ-CE1 3.87Å; F165-F191 HydrophobicContact CZ-CE2 4.16Å; F165-F191 AromaticContact CZ-CG 3.46Å; F165-F191 HydrophobicContact CZ-CG 3.46Å; F165-F191 VanDerWaalsContact CZ-CG 3.46Å; F165-F191 HydrophobicContact CZ-CZ 4.21Å; F165-F194 HydrophobicContact CB-CD1 4.23Å; F165-F194 HydrophobicContact CB-CE1 3.8Å; F165-F194 HydrophobicContact CB-CE2 4.12Å; F165-F194 HydrophobicContact CB-CZ 3.74Å; F165-F194 HydrophobicContact CD2-CB 3.92Å; F165-F194 AromaticContact CD2-CD1 3.62Å; F165-F194 HydrophobicContact CD2-CD1 3.62Å; F165-F194 HydrophobicContact CD2-CD2 4.05Å; F165-F194 HydrophobicContact CD2-CE1 4.1Å; F165-F194 HydrophobicContact CD2-CE2 4.48Å; F165-F194 AromaticContact CD2-CG 3.59Å; F165-F194 HydrophobicContact CD2-CG 3.59Å; F165-F194 HydrophobicContact CD2-CZ 4.5Å; F165-F194 HydrophobicContact CE2-CB 4.16Å; F165-F194 HydrophobicContact CE2-CD1 4.38Å; F165-F194 HydrophobicContact CE2-CG 4.3Å; F165-F194 HydrophobicContact CG-CD1 4.07Å; F165-F194 HydrophobicContact CG-CE1 4.1Å; F165-F194 HydrophobicContact CG-CG 4.39Å; F165-F194 HydrophobicContact CG-CZ 4.45Å
166L89.7Confident90Very high25 Ų2536.5 Ų36.513%0.13120%0.197CC..Hα-helixtrans-62.7-36.9-178.6-72.7174000113F19 M20 F162 I163 L164 S170F19-L166 HydrophobicContact CD1-CD1 3.37Å; F19-L166 HydrophobicContact CD1-CD2 4.27Å; F19-L166 HydrophobicContact CD1-CG 4.47Å; F19-L166 HydrophobicContact CE1-CD1 3.71Å; F19-L166 HydrophobicContact CG-CD1 4.06Å; M20-L166 HydrophobicContact CG-CD2 3.64Å; M20-L166 HydrophobicContact SD-CD2 4.05Å; F162-L166 HydrophobicContact CD2-CD1 3.68Å; F162-L166 HydrophobicContact CD2-CG 4.4Å; F162-L166 HydrophobicContact CE2-CD1 3.46Å; F162-L166 VanDerWaalsContact CE2-CD1 3.46Å; F162-L166 HydrophobicContact CZ-CD1 4.44Å; F162-L166 WeakPolarHBondContact O-CB 3.32Å; F162-L166 VanDerWaalsContact O-CG 3.23Å; F162-L166 WeakPolarHBondContact O-CG 3.48Å; F162-L166 PolarHBondContact O-N 3.35Å; F162-L166 VanDerWaalsContact O-N 3.07Å; I163-L166 PolarHBondContact O-N 3.48Å; L164-L166 PolarHBondContact O-N 2.95Å; L166-S170 VanDerWaalsContact O-CB 3.23Å; L166-S170 WeakPolarHBondContact O-CB 3.4Å; L166-S170 PolarHBondContact O-N 3.36Å
167C89.7Confident89.8Confident41 Ų4142.4 Ų42.428%0.27722%0.217SC..Hα-helixtrans-64.5-42174.6-700000112.2I163 L164 F165 I173 S174I163-C167 PolarHBondContact O-N 3.44Å; I163-C167 PolarHBondContact O-SG 3.09Å; I163-C167 VanDerWaalsContact O-SG 3.36Å; L164-C167 PolarHBondContact O-N 3.11Å; F165-C167 VanDerWaalsContact C-N 3.32Å; F165-C167 PolarHBondContact O-N 3.4Å; C167-I173 HydrophobicContact CB-CG2 4.16Å; C167-S174 PolarHBondContact O-OG 3.34Å
168L92.3Very high89.5Confident30 Ų3046.4 Ų46.416%0.15724%0.238CC..Hα-helixtrans-74-30.7179.4-65.3177000112.7L164 F165 S174 L178 L188 I189L164-L168 HydrophobicContact CD1-CD1 3.96Å; L164-L168 HydrophobicContact CD1-CD2 4.34Å; L164-L168 HydrophobicContact CD1-CG 3.94Å; L164-L168 HydrophobicContact CD2-CD1 4.32Å; L164-L168 HydrophobicContact CG-CD1 3.75Å; L164-L168 HydrophobicContact CG-CG 4.14Å; L164-L168 WeakPolarHBondContact O-CB 3.39Å; L164-L168 WeakPolarHBondContact O-CG 3.32Å; L164-L168 PolarHBondContact O-N 3.37Å; F165-L168 PolarHBondContact O-N 2.95Å; F165-L168 VanDerWaalsContact O-N 3.16Å; L168-S174 PolarHBondContact O-OG 3.2Å; L168-L178 HydrophobicContact CD2-CD1 3.94Å; L168-L188 HydrophobicContact CD2-CB 4.32Å; L168-L188 HydrophobicContact CD2-CD2 3.62Å; L168-L188 PolarHBondContact O-N 3.19Å; L168-I189 HydrophobicContact CB-CB 4.47Å; L168-I189 HydrophobicContact CB-CG2 3.55Å; L168-I189 HydrophobicContact CD1-CG2 4.41Å; L168-I189 PolarHBondContact O-N 3.37Å
169E91.7Very high89.1Confident18 Ų1846 Ų468%0.08424%0.236CC..Hα-helixtrans-77.9-38.1177.5-168.3-161.7-161.100112.1M20 R92 F165 P171 G187 I189M20-E169 WeakPolarHBondContact CE-OE1 3.47Å; M20-E169 WeakPolarHBondContact CE-OE2 3.17Å; R92-E169 IonicContact CZ-OE1 3.72Å; R92-E169 VanDerWaalsContact CZ-OE1 3.22Å; R92-E169 IonicContact NH1-OE1 2.78Å; R92-E169 PolarHBondContact NH1-OE1 3.38Å; R92-E169 IonicContact NH2-OE1 2.86Å; R92-E169 PolarHBondContact NH2-OE1 2.7Å; F165-E169 HydrophobicContact CE2-CB 4Å; F165-E169 HydrophobicContact CE2-CG 4.33Å; F165-E169 HydrophobicContact CZ-CB 4.3Å; F165-E169 HydrophobicContact CZ-CG 4.39Å; F165-E169 WeakPolarHBondContact O-CB 3.06Å; F165-E169 PolarHBondContact O-N 3.29Å; E169-P171 VanDerWaalsContact O-CD 3.26Å; E169-P171 WeakPolarHBondContact O-CD 3.34Å; E169-G187 WeakPolarHBondContact O-CA 3.46Å; E169-I189 WeakPolarHBondContact CA-O 3.4Å
170S88.7Confident88.9Confident33 Ų3357.1 Ų57.123%0.23128%0.276CS..  trans-63.8120-175.2178.70000112L166 N172 I173 S174L166-S170 VanDerWaalsContact O-CB 3.23Å; L166-S170 WeakPolarHBondContact O-CB 3.4Å; L166-S170 PolarHBondContact O-N 3.36Å; S170-N172 VanDerWaalsContact C-N 3.28Å; S170-N172 PolarHBondContact O-N 3.18Å; S170-I173 PolarHBondContact O-N 3.18Å; S170-I173 PolarHBondContact OG-N 3.03Å; S170-S174 VanDerWaalsContact O-CB 3.22Å; S170-S174 WeakPolarHBondContact O-CB 3.47Å; S170-S174 PolarHBondContact O-N 3.08Å; S170-S174 PolarHBondContact O-OG 3.03Å
171P87.7Confident88.6Confident36 Ų3660.6 Ų60.623%0.23430%0.297CS..Hα-helixtrans-60.3-37.5174.4-2535.3000112.7W98 E169 N175W98-P171 HydrophobicContact CB-CG 4.25Å; E169-P171 VanDerWaalsContact O-CD 3.26Å; E169-P171 WeakPolarHBondContact O-CD 3.34Å; P171-N175 WeakPolarHBondContact O-CB 3.39Å; P171-N175 VanDerWaalsContact O-CG 3.26Å; P171-N175 PolarHBondContact O-N 3.46Å; P171-N175 PolarHBondContact O-ND2 3.09Å
172N85.9Confident88.2Confident106 Ų10665.1 Ų65.157%0.56733%0.326SS*.Hα-helixtrans-66.9-48.6-178.4-1689.9000111.3S170 N176S170-N172 VanDerWaalsContact C-N 3.28Å; S170-N172 PolarHBondContact O-N 3.18Å; N172-N176 VanDerWaalsContact O-CB 3.28Å; N172-N176 WeakPolarHBondContact O-CB 3.43Å; N172-N176 VanDerWaalsContact O-CG 3.23Å; N172-N176 PolarHBondContact O-N 3.16Å; N172-N176 VanDerWaalsContact O-N 3.09Å; N172-N176 PolarHBondContact O-ND2 3.4Å; N172-N176 PolarHBondContact OD1-ND2 2.82Å
173I86Confident88.1Confident60 Ų6068.2 Ų68.231%0.30834%0.342SS..Hα-helixtrans-67.5-45179.1-61.5174000110.4C167 S170 N175 N176 Y177C167-I173 HydrophobicContact CB-CG2 4.16Å; S170-I173 PolarHBondContact O-N 3.18Å; S170-I173 PolarHBondContact OG-N 3.03Å; I173-N175 PolarHBondContact O-N 2.93Å; I173-N176 PolarHBondContact O-N 3.4Å; I173-Y177 HydrophobicContact CG2-CD2 4.28Å; I173-Y177 WeakPolarHBondContact O-CB 3.21Å; I173-Y177 PolarHBondContact O-N 3.08Å
174S85.2Confident87.8Confident0 Ų075.9 Ų75.90%038%0.378CS..Iπ-helixtrans-61.6-42.9-178.3-67.90000112.4C167 L168 S170 L178 R179 L188C167-S174 PolarHBondContact O-OG 3.34Å; L168-S174 PolarHBondContact O-OG 3.2Å; S170-S174 VanDerWaalsContact O-CB 3.22Å; S170-S174 WeakPolarHBondContact O-CB 3.47Å; S170-S174 PolarHBondContact O-N 3.08Å; S170-S174 PolarHBondContact O-OG 3.03Å; S174-L178 CarbonylContact O-C 3.6Å; S174-L178 PolarHBondContact O-N 2.95Å; S174-R179 WeakPolarHBondContact O-CB 3.47Å; S174-R179 PolarHBondContact O-N 3.02Å; S174-L188 PolarHBondContact OG-N 2.8Å; S174-L188 VanDerWaalsContact OG-N 3.13Å
175N87.8Confident87.3Confident22 Ų2274 Ų7412%0.11838%0.378CS..Iπ-helixtrans-79.5-29-177.8-70.7-33.8000113.8P171 I173 R179 P182 I183P171-N175 WeakPolarHBondContact O-CB 3.39Å; P171-N175 VanDerWaalsContact O-CG 3.26Å; P171-N175 PolarHBondContact O-N 3.46Å; P171-N175 PolarHBondContact O-ND2 3.09Å; I173-N175 PolarHBondContact O-N 2.93Å; N175-R179 PolarHBondContact OD1-NH1 2.82Å; N175-R179 VanDerWaalsContact OD1-NH1 3.07Å; N175-P182 HydrophobicContact CB-CB 3.78Å; N175-I183 PolarHBondContact ND2-O 2.94Å; N175-I183 PolarHBondContact OD1-N 3.16Å; N175-I183 PolarHBondContact OD1-O 3.14Å
176N87.6Confident87Confident104 Ų10478.6 Ų78.656%0.55640%0.398SS*.Iπ-helixtrans-88-30.7-179.5-66.9-8.4000113.5N172 I173N172-N176 VanDerWaalsContact O-CB 3.28Å; N172-N176 WeakPolarHBondContact O-CB 3.43Å; N172-N176 VanDerWaalsContact O-CG 3.23Å; N172-N176 PolarHBondContact O-N 3.16Å; N172-N176 VanDerWaalsContact O-N 3.09Å; N172-N176 PolarHBondContact O-ND2 3.4Å; N172-N176 PolarHBondContact OD1-ND2 2.82Å; I173-N176 PolarHBondContact O-N 3.4Å
177Y87.2Confident87Confident183 Ų18377.4 Ų77.472%0.71839%0.392SS*.Iπ-helixtrans-124.7-23.3-169.3-60-78.1000115.1I173I173-Y177 HydrophobicContact CG2-CD2 4.28Å; I173-Y177 WeakPolarHBondContact O-CB 3.21Å; I173-Y177 PolarHBondContact O-N 3.08Å
178L85.6Confident87Confident83 Ų8380 Ų8044%0.43540%0.402SS..Iπ-helixtrans-109-35.5-173.4-59.3177.6000113.7L168 S174L168-L178 HydrophobicContact CD2-CD1 3.94Å; S174-L178 CarbonylContact O-C 3.6Å; S174-L178 PolarHBondContact O-N 2.95Å
179R84.9Confident87.1Confident51 Ų5180.6 Ų80.619%0.19241%0.405CS..  trans-93.5135.8-179-74.8-173.2174.2144.30.6111.5S174 N175 K186 G187 L188S174-R179 WeakPolarHBondContact O-CB 3.47Å; S174-R179 PolarHBondContact O-N 3.02Å; N175-R179 PolarHBondContact OD1-NH1 2.82Å; N175-R179 VanDerWaalsContact OD1-NH1 3.07Å; R179-K186 PolarHBondContact NH1-O 3.46Å; R179-G187 PolarHBondContact NH2-O 2.93Å; R179-L188 HydrophobicContact CG-CD1 4.34Å
180W85.4Confident87.2Confident255 Ų25581 Ų8197%0.96641%0.409SS*.SBendtrans-67.4-36.9167.1-60.4106.2000112.3
181T87.3Confident87.4Confident106 Ų10679.5 Ų79.565%0.6540%0.398SS*.SBendtrans-119.5110.2176.854.90000109.8
182P84.9Confident87.8Confident94 Ų9479 Ų7961%0.6140%0.396SS*.  trans-67.4139.1-177.327.6-34.3000111.1N175N175-P182 HydrophobicContact CB-CB 3.78Å
183I87.8Confident88.2Confident79 Ų7975.2 Ų75.241%0.40538%0.381SS..  trans-117.2112.8173.6-54.2172.5000107.4N175 G185 K186N175-I183 PolarHBondContact ND2-O 2.94Å; N175-I183 PolarHBondContact OD1-N 3.16Å; N175-I183 PolarHBondContact OD1-O 3.14Å; I183-G185 PolarHBondContact O-N 3.41Å; I183-K186 HydrophobicContact CG2-CB 4.34Å; I183-K186 HydrophobicContact CG2-CD 3.98Å; I183-K186 HydrophobicContact CG2-CG 4.33Å; I183-K186 PolarHBondContact O-N 3.46Å
184E82.7Confident88.8Confident186 Ų18672.6 Ų72.687%0.86937%0.368SS*.THydrogen-bonded Turntrans-53.2132-174-165.6176.1179.100112.3K186E184-K186 VanDerWaalsContact C-N 3.26Å; E184-K186 PolarHBondContact O-N 3.09Å; E184-K186 VanDerWaalsContact O-N 3.16Å
185G80.7Confident89.3Confident41 Ų4172.6 Ų72.642%0.42337%0.368SS..THydrogen-bonded Turntrans71.60.6174.900000117.2W98 I183W98-G185 WeakPolarHBondContact CB-O 3.37Å; I183-G185 PolarHBondContact O-N 3.41Å
186K87.8Confident89.8Confident98 Ų9877.8 Ų77.843%0.42639%0.387SS..  trans-117.2130.4-176.7-60.5-173.6-177.2177.60113.3W98 R179 I183 E184W98-K186 HydrophobicContact CD2-CB 4.21Å; W98-K186 HydrophobicContact CD2-CG 4.44Å; W98-K186 HydrophobicContact CE3-CB 3.98Å; W98-K186 HydrophobicContact CE3-CD 4.3Å; W98-K186 HydrophobicContact CE3-CG 3.75Å; W98-K186 HydrophobicContact CH2-CB 4.32Å; W98-K186 HydrophobicContact CH2-CD 4.4Å; W98-K186 HydrophobicContact CH2-CG 4.48Å; W98-K186 HydrophobicContact CZ3-CB 4.06Å; W98-K186 HydrophobicContact CZ3-CD 3.84Å; W98-K186 HydrophobicContact CZ3-CG 3.8Å; R179-K186 PolarHBondContact NH1-O 3.46Å; I183-K186 HydrophobicContact CG2-CB 4.34Å; I183-K186 HydrophobicContact CG2-CD 3.98Å; I183-K186 HydrophobicContact CG2-CG 4.33Å; I183-K186 PolarHBondContact O-N 3.46Å; E184-K186 VanDerWaalsContact C-N 3.26Å; E184-K186 PolarHBondContact O-N 3.09Å; E184-K186 VanDerWaalsContact O-N 3.16Å
187G89.4Confident90.2Very high0 Ų078 Ų780%038%0.383CS..  trans-74.3174.6166.400000113.1W98 E169 R179W98-G187 VanDerWaalsContact CD1-N 3.31Å; W98-G187 WeakPolarHBondContact CZ2-O 3.39Å; W98-G187 VanDerWaalsContact NE1-N 3.18Å; E169-G187 WeakPolarHBondContact O-CA 3.46Å; R179-G187 PolarHBondContact NH2-O 2.93Å
188L90.5Very high90.7Very high94 Ų9470.6 Ų70.649%0.49235%0.354SS..SBendtrans-71.4-40.5177-16569.9000112.1L168 S174 R179L168-L188 HydrophobicContact CD2-CB 4.32Å; L168-L188 HydrophobicContact CD2-CD2 3.62Å; L168-L188 PolarHBondContact O-N 3.19Å; S174-L188 PolarHBondContact OG-N 2.8Å; S174-L188 VanDerWaalsContact OG-N 3.13Å; R179-L188 HydrophobicContact CG-CD1 4.34Å
189I93.5Very high91.2Very high43 Ų4366.6 Ų66.622%0.22133%0.333CS..SBendtrans-127.8148.5176.3-156.1166.8000110W98 L168 E169 F194W98-I189 PolarHBondContact NE1-O 2.97Å; W98-I189 VanDerWaalsContact NE1-O 3.09Å; L168-I189 HydrophobicContact CB-CB 4.47Å; L168-I189 HydrophobicContact CB-CG2 3.55Å; L168-I189 HydrophobicContact CD1-CG2 4.41Å; L168-I189 PolarHBondContact O-N 3.37Å; E169-I189 WeakPolarHBondContact CA-O 3.4Å; I189-F194 HydrophobicContact CD1-CB 3.99Å; I189-F194 HydrophobicContact CD1-CD2 4.14Å; I189-F194 HydrophobicContact CG1-CB 4.38Å; I189-F194 HydrophobicContact CG2-CB 4.23Å; I189-F194 HydrophobicContact CG2-CD2 4.27Å
190T94.2Very high91.8Very high28 Ų2866.8 Ų66.817%0.17234%0.339CS..  trans-84.7158.1168.161.10000109.3P97 W98 S192 G193 F194P97-T190 HydrophobicContact CB-CG2 3.8Å; P97-T190 HydrophobicContact CG-CG2 3.57Å; W98-T190 HydrophobicContact CD2-CG2 4.17Å; W98-T190 HydrophobicContact CE3-CG2 4.41Å; W98-T190 HydrophobicContact CH2-CG2 3.57Å; W98-T190 HydrophobicContact CZ2-CG2 3.27Å; W98-T190 HydrophobicContact CZ3-CG2 4.12Å; T190-S192 VanDerWaalsContact C-N 3.33Å; T190-S192 PolarHBondContact O-N 3.32Å; T190-G193 PolarHBondContact O-N 3.31Å; T190-G193 VanDerWaalsContact O-N 3.15Å; T190-G193 PolarHBondContact OG1-N 3.18Å; T190-F194 PolarHBondContact O-N 3.04Å
191F94.2Very high92.4Very high0 Ų056.2 Ų56.20%030%0.303CS..Hα-helixtrans-58.1-47.3173.8-166.3-4.3000111.7L13 I17 M20 I86 L90 F116 F165 G193 F194 L195L13-F191 HydrophobicContact CD2-CE1 4.19Å; I17-F191 HydrophobicContact CD1-CE2 3.41Å; I17-F191 VanDerWaalsContact CD1-CE2 3.41Å; I17-F191 HydrophobicContact CD1-CZ 3.57Å; M20-F191 HydrophobicContact CE-CD2 4.13Å; M20-F191 HydrophobicContact CE-CE2 4.39Å; M20-F191 HydrophobicContact SD-CD2 4.43Å; M20-F191 HydrophobicContact SD-CE2 4.2Å; I86-F191 HydrophobicContact CD1-CD2 4.41Å; I86-F191 HydrophobicContact CD1-CE2 3.94Å; I86-F191 HydrophobicContact CD1-CZ 4.12Å; I86-F191 HydrophobicContact CG1-CD1 4.34Å; I86-F191 HydrophobicContact CG1-CD2 3.7Å; I86-F191 HydrophobicContact CG1-CE1 4.34Å; I86-F191 HydrophobicContact CG1-CE2 3.72Å; I86-F191 HydrophobicContact CG1-CG 4.01Å; I86-F191 HydrophobicContact CG1-CZ 4.04Å; L90-F191 HydrophobicContact CD1-CD2 3.5Å; L90-F191 VanDerWaalsContact CD1-CD2 3.5Å; L90-F191 HydrophobicContact CD1-CE2 3.77Å; F116-F191 HydrophobicContact CZ-CZ 4.32Å; F165-F191 HydrophobicContact CE1-CD1 4.28Å; F165-F191 HydrophobicContact CE1-CE1 4.25Å; F165-F191 HydrophobicContact CE1-CE2 4.45Å; F165-F191 HydrophobicContact CE1-CG 4.45Å; F165-F191 HydrophobicContact CE1-CZ 4.34Å; F165-F191 HydrophobicContact CE2-CB 4.06Å; F165-F191 AromaticContact CE2-CD1 3.71Å; F165-F191 HydrophobicContact CE2-CD1 3.71Å; F165-F191 HydrophobicContact CE2-CE1 4.37Å; F165-F191 AromaticContact CE2-CG 3.93Å; F165-F191 HydrophobicContact CE2-CG 3.93Å; F165-F191 HydrophobicContact CZ-CB 3.91Å; F165-F191 AromaticContact CZ-CD1 3.46Å; F165-F191 HydrophobicContact CZ-CD1 3.46Å; F165-F191 VanDerWaalsContact CZ-CD1 3.46Å; F165-F191 AromaticContact CZ-CD2 3.81Å; F165-F191 HydrophobicContact CZ-CD2 3.81Å; F165-F191 AromaticContact CZ-CE1 3.87Å; F165-F191 HydrophobicContact CZ-CE1 3.87Å; F165-F191 HydrophobicContact CZ-CE2 4.16Å; F165-F191 AromaticContact CZ-CG 3.46Å; F165-F191 HydrophobicContact CZ-CG 3.46Å; F165-F191 VanDerWaalsContact CZ-CG 3.46Å; F165-F191 HydrophobicContact CZ-CZ 4.21Å; F191-G193 VanDerWaalsContact C-N 3.32Å; F191-G193 PolarHBondContact O-N 3.25Å; F191-F194 PolarHBondContact O-N 3.49Å; F191-F194 VanDerWaalsContact O-N 3.14Å; F191-L195 HydrophobicContact CD1-CD1 3.93Å; F191-L195 HydrophobicContact CD1-CD2 4.39Å; F191-L195 HydrophobicContact CD1-CG 3.78Å; F191-L195 HydrophobicContact CE1-CD1 3.8Å; F191-L195 HydrophobicContact CE1-CD2 3.84Å; F191-L195 HydrophobicContact CE1-CG 3.7Å; F191-L195 WeakPolarHBondContact O-CG 3.39Å; F191-L195 PolarHBondContact O-N 3.21Å
192S95.2Very high92.8Very high27 Ų2751.1 Ų51.119%0.18927%0.272CS..Hα-helixtrans-51.5-48.1171.9173.30000112.7A83 N87 T190 F194 L195 Y196A83-S192 WeakPolarHBondContact CB-O 3.4Å; A83-S192 WeakPolarHBondContact O-CB 3.48Å; A83-S192 PolarHBondContact O-OG 3.03Å; N87-S192 WeakPolarHBondContact ND2-CB 3.37Å; T190-S192 VanDerWaalsContact C-N 3.33Å; T190-S192 PolarHBondContact O-N 3.32Å; S192-F194 PolarHBondContact O-N 3.26Å; S192-L195 PolarHBondContact O-N 3.1Å; S192-Y196 PolarHBondContact O-N 3.39Å
193G95.4Very high93.3Very high25 Ų2548.6 Ų48.626%0.25825%0.252SS..Hα-helixtrans-63.5-38.1178.600000113.5T190 F191 Y196 F197T190-G193 PolarHBondContact O-N 3.31Å; T190-G193 VanDerWaalsContact O-N 3.15Å; T190-G193 PolarHBondContact OG1-N 3.18Å; F191-G193 VanDerWaalsContact C-N 3.32Å; F191-G193 PolarHBondContact O-N 3.25Å; G193-Y196 PolarHBondContact O-N 3.39Å; G193-F197 WeakPolarHBondContact O-CB 3.3Å; G193-F197 PolarHBondContact O-N 3.25Å
194F96.7Very high93.7Very high6 Ų648.8 Ų48.83%0.02626%0.257CS..Hα-helixtrans-67-41.7177.2-170.4-95.3000112.1L13 T160 F165 I189 T190 F191 S192 F197 W198L13-F194 HydrophobicContact CD2-CD1 3.83Å; L13-F194 HydrophobicContact CD2-CE1 3.72Å; T160-F194 WeakPolarHBondContact O-CZ 3.47Å; F165-F194 HydrophobicContact CB-CD1 4.23Å; F165-F194 HydrophobicContact CB-CE1 3.8Å; F165-F194 HydrophobicContact CB-CE2 4.12Å; F165-F194 HydrophobicContact CB-CZ 3.74Å; F165-F194 HydrophobicContact CD2-CB 3.92Å; F165-F194 AromaticContact CD2-CD1 3.62Å; F165-F194 HydrophobicContact CD2-CD1 3.62Å; F165-F194 HydrophobicContact CD2-CD2 4.05Å; F165-F194 HydrophobicContact CD2-CE1 4.1Å; F165-F194 HydrophobicContact CD2-CE2 4.48Å; F165-F194 AromaticContact CD2-CG 3.59Å; F165-F194 HydrophobicContact CD2-CG 3.59Å; F165-F194 HydrophobicContact CD2-CZ 4.5Å; F165-F194 HydrophobicContact CE2-CB 4.16Å; F165-F194 HydrophobicContact CE2-CD1 4.38Å; F165-F194 HydrophobicContact CE2-CG 4.3Å; F165-F194 HydrophobicContact CG-CD1 4.07Å; F165-F194 HydrophobicContact CG-CE1 4.1Å; F165-F194 HydrophobicContact CG-CG 4.39Å; F165-F194 HydrophobicContact CG-CZ 4.45Å; I189-F194 HydrophobicContact CD1-CB 3.99Å; I189-F194 HydrophobicContact CD1-CD2 4.14Å; I189-F194 HydrophobicContact CG1-CB 4.38Å; I189-F194 HydrophobicContact CG2-CB 4.23Å; I189-F194 HydrophobicContact CG2-CD2 4.27Å; T190-F194 PolarHBondContact O-N 3.04Å; F191-F194 PolarHBondContact O-N 3.49Å; F191-F194 VanDerWaalsContact O-N 3.14Å; S192-F194 PolarHBondContact O-N 3.26Å; F194-F197 PolarHBondContact O-N 3.32Å; F194-W198 AromaticContact CD1-CD1 3.73Å; F194-W198 AromaticContact CE1-CD1 3.34Å; F194-W198 AromaticContact CE1-NE1 3.39Å; F194-W198 AromaticContact CE2-NE1 3.62Å; F194-W198 AromaticContact CZ-CD1 3.56Å; F194-W198 AromaticContact CZ-NE1 3.08Å; F194-W198 PolarHBondContact O-N 3.04Å; F194-W198 VanDerWaalsContact O-N 3.14Å
195L97.1Very high94.3Very high0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-63.8-44.1174.5-69.9176.8000111.8L13 L79 L82 A83 I86 F191 S192 F197 W198 G199L13-L195 HydrophobicContact CD1-CD2 3.65Å; L13-L195 HydrophobicContact CD2-CD2 3.91Å; L13-L195 HydrophobicContact CG-CD2 4.39Å; L79-L195 HydrophobicContact CD2-CD2 3.79Å; L82-L195 HydrophobicContact CB-CD1 4.19Å; L82-L195 HydrophobicContact CD2-CD1 3.73Å; L82-L195 HydrophobicContact CD2-CD2 4.12Å; L82-L195 HydrophobicContact CG-CD1 3.64Å; A83-L195 HydrophobicContact CB-CB 3.85Å; I86-L195 HydrophobicContact CB-CD1 3.94Å; I86-L195 HydrophobicContact CG1-CD1 4.02Å; I86-L195 HydrophobicContact CG2-CD1 3.92Å; F191-L195 HydrophobicContact CD1-CD1 3.93Å; F191-L195 HydrophobicContact CD1-CD2 4.39Å; F191-L195 HydrophobicContact CD1-CG 3.78Å; F191-L195 HydrophobicContact CE1-CD1 3.8Å; F191-L195 HydrophobicContact CE1-CD2 3.84Å; F191-L195 HydrophobicContact CE1-CG 3.7Å; F191-L195 WeakPolarHBondContact O-CG 3.39Å; F191-L195 PolarHBondContact O-N 3.21Å; S192-L195 PolarHBondContact O-N 3.1Å; L195-F197 PolarHBondContact O-N 3.37Å; L195-W198 PolarHBondContact O-N 3.43Å; L195-G199 PolarHBondContact O-N 3.45Å
196Y97.2Very high94.9Very high131 Ų13139.7 Ų39.751%0.51421%0.206SC..Hα-helixtrans-60.5-45.2177.1-175.5-95.7000111.7I80 S192 G193 W198 G199 V200I80-Y196 HydrophobicContact CG1-CD2 4.41Å; I80-Y196 HydrophobicContact CG2-CD2 4.33Å; I80-Y196 HydrophobicContact CG2-CE2 4.33Å; S192-Y196 PolarHBondContact O-N 3.39Å; G193-Y196 PolarHBondContact O-N 3.39Å; Y196-W198 PolarHBondContact O-N 2.98Å; Y196-G199 PolarHBondContact O-N 2.99Å; Y196-V200 HydrophobicContact CD1-CG2 4.26Å; Y196-V200 HydrophobicContact CE1-CG2 3.84Å; Y196-V200 HydrophobicContact CE2-CG2 4.47Å; Y196-V200 WeakPolarHBondContact O-CG2 3.48Å; Y196-V200 PolarHBondContact O-N 2.89Å
197F97.1Very high95.1Very high109 Ų10937.9 Ų37.948%0.47820%0.203SC..Hα-helixtrans-56.3-48.5176.2168.7-97.1000112.3G193 F194 L195 V200 T201G193-F197 WeakPolarHBondContact O-CB 3.3Å; G193-F197 PolarHBondContact O-N 3.25Å; F194-F197 PolarHBondContact O-N 3.32Å; L195-F197 PolarHBondContact O-N 3.37Å; F197-V200 PolarHBondContact O-N 3.45Å; F197-T201 WeakPolarHBondContact O-CB 3.42Å; F197-T201 PolarHBondContact O-N 2.81Å; F197-T201 PolarHBondContact O-OG1 3.39Å
198W97.1Very high95.3Very high26 Ų2640.4 Ų40.410%0.09822%0.22CC..Hα-helixtrans-68.6-39.3177.4-80.2107.9000111.9L6 I9 L79 T160 F194 L195 Y196 V200 T201 F202L6-W198 HydrophobicContact CD2-CE3 4.43Å; L6-W198 HydrophobicContact CD2-CZ3 4.06Å; I9-W198 HydrophobicContact CB-CE3 4.45Å; I9-W198 HydrophobicContact CD1-CD2 3.96Å; I9-W198 HydrophobicContact CD1-CE3 4.04Å; I9-W198 HydrophobicContact CD1-CH2 3.44Å; I9-W198 VanDerWaalsContact CD1-CH2 3.44Å; I9-W198 HydrophobicContact CD1-CZ2 3.34Å; I9-W198 HydrophobicContact CD1-CZ3 3.79Å; I9-W198 HydrophobicContact CG1-CD2 4.04Å; I9-W198 HydrophobicContact CG1-CE3 3.77Å; I9-W198 HydrophobicContact CG1-CH2 3.88Å; I9-W198 HydrophobicContact CG1-CZ2 4.15Å; I9-W198 HydrophobicContact CG1-CZ3 3.68Å; I9-W198 HydrophobicContact CG2-CB 4.18Å; I9-W198 HydrophobicContact CG2-CD2 3.71Å; I9-W198 HydrophobicContact CG2-CE3 4.05Å; I9-W198 HydrophobicContact CG2-CG 3.74Å; L79-W198 HydrophobicContact CD1-CB 4.04Å; T160-W198 HydrophobicContact CG2-CH2 4.42Å; T160-W198 HydrophobicContact CG2-CZ2 3.62Å; F194-W198 AromaticContact CD1-CD1 3.73Å; F194-W198 AromaticContact CE1-CD1 3.34Å; F194-W198 AromaticContact CE1-NE1 3.39Å; F194-W198 AromaticContact CE2-NE1 3.62Å; F194-W198 AromaticContact CZ-CD1 3.56Å; F194-W198 AromaticContact CZ-NE1 3.08Å; F194-W198 PolarHBondContact O-N 3.04Å; F194-W198 VanDerWaalsContact O-N 3.14Å; L195-W198 PolarHBondContact O-N 3.43Å; Y196-W198 PolarHBondContact O-N 2.98Å; W198-V200 VanDerWaalsContact C-N 3.34Å; W198-V200 PolarHBondContact O-N 3.18Å; W198-T201 HydrophobicContact CE3-CG2 3.97Å; W198-T201 HydrophobicContact CZ3-CG2 3.85Å; W198-T201 CarbonylContact O-C 3.58Å; W198-T201 WeakPolarHBondContact O-CB 3.35Å; W198-T201 PolarHBondContact O-N 2.93Å; W198-T201 VanDerWaalsContact O-N 3.08Å; W198-F202 HydrophobicContact CE3-CD2 4.45Å; W198-F202 HydrophobicContact CE3-CE2 4.34Å; W198-F202 VanDerWaalsContact O-CD2 3.28Å; W198-F202 WeakPolarHBondContact O-CD2 3.47Å; W198-F202 PolarHBondContact O-N 3.38Å
199G97.2Very high95.2Very high0 Ų036.9 Ų36.90%020%0.202CC..Hα-helixtrans-53.7-48.7174.200000112.8G76 L195 Y196 F202 M203G76-G199 WeakPolarHBondContact O-CA 3.41Å; L195-G199 PolarHBondContact O-N 3.45Å; Y196-G199 PolarHBondContact O-N 2.99Å; G199-F202 PolarHBondContact O-N 3.48Å; G199-M203 WeakPolarHBondContact O-CG 3.19Å; G199-M203 PolarHBondContact O-N 2.9Å; G199-M203 VanDerWaalsContact O-N 3.16Å
200V97.3Very high94.8Very high54 Ų5437.1 Ų37.133%0.32721%0.205SC..Hα-helixtrans-65.3-40.9174.3175.90000111.8Y196 F197 W198 F202 M203 V204Y196-V200 HydrophobicContact CD1-CG2 4.26Å; Y196-V200 HydrophobicContact CE1-CG2 3.84Å; Y196-V200 HydrophobicContact CE2-CG2 4.47Å; Y196-V200 WeakPolarHBondContact O-CG2 3.48Å; Y196-V200 PolarHBondContact O-N 2.89Å; F197-V200 PolarHBondContact O-N 3.45Å; W198-V200 VanDerWaalsContact C-N 3.34Å; W198-V200 PolarHBondContact O-N 3.18Å; V200-F202 VanDerWaalsContact C-N 3.31Å; V200-F202 PolarHBondContact O-N 3.31Å; V200-M203 WeakPolarHBondContact O-CB 3.4Å; V200-M203 PolarHBondContact O-N 3.46Å; V200-M203 VanDerWaalsContact O-N 3.14Å; V200-V204 HydrophobicContact CG1-CG2 4.19Å; V200-V204 WeakPolarHBondContact O-CG2 3.34Å; V200-V204 PolarHBondContact O-N 2.96Å
201T96.3Very high94.4Very high33 Ų3339.5 Ų39.520%0.20222%0.216CC..Hα-helixtrans-60.6-41.3177.6-60.20000111.4L6 F197 W198 V204 T205L6-T201 HydrophobicContact CD2-CG2 4.49Å; F197-T201 WeakPolarHBondContact O-CB 3.42Å; F197-T201 PolarHBondContact O-N 2.81Å; F197-T201 PolarHBondContact O-OG1 3.39Å; W198-T201 HydrophobicContact CE3-CG2 3.97Å; W198-T201 HydrophobicContact CZ3-CG2 3.85Å; W198-T201 CarbonylContact O-C 3.58Å; W198-T201 WeakPolarHBondContact O-CB 3.35Å; W198-T201 PolarHBondContact O-N 2.93Å; W198-T201 VanDerWaalsContact O-N 3.08Å; T201-V204 PolarHBondContact O-N 3.08Å; T201-T205 HydrophobicContact CG2-CG2 4.09Å; T201-T205 VanDerWaalsContact O-CB 3.31Å; T201-T205 WeakPolarHBondContact O-CB 3.32Å; T201-T205 WeakPolarHBondContact O-CG2 3.25Å; T201-T205 PolarHBondContact O-N 3.4Å; T201-T205 PolarHBondContact O-OG1 2.95Å
202F97Very high93.9Very high0 Ų047.2 Ų47.20%025%0.25CS..Hα-helixtrans-61.5-43.2173.7-92.3-98.1000111.8L6 I9 P10 Q72 I75 L79 W198 G199 V200 T205 N206L6-F202 HydrophobicContact CB-CE1 3.95Å; L6-F202 HydrophobicContact CB-CE2 4.44Å; L6-F202 HydrophobicContact CB-CZ 3.81Å; L6-F202 HydrophobicContact CD2-CD2 4.08Å; L6-F202 HydrophobicContact CD2-CE1 4.45Å; L6-F202 HydrophobicContact CD2-CE2 3.91Å; L6-F202 HydrophobicContact CD2-CG 4.46Å; L6-F202 HydrophobicContact CD2-CZ 4.11Å; L6-F202 VanDerWaalsContact O-CZ 3.25Å; L6-F202 WeakPolarHBondContact O-CZ 3.46Å; I9-F202 HydrophobicContact CB-CE2 4.14Å; I9-F202 HydrophobicContact CB-CZ 4.46Å; I9-F202 HydrophobicContact CG2-CE2 4.13Å; P10-F202 HydrophobicContact CG-CZ 4.24Å; Q72-F202 HydrophobicContact CG-CD1 3.68Å; Q72-F202 HydrophobicContact CG-CE1 4.27Å; I75-F202 HydrophobicContact CB-CD1 4.01Å; I75-F202 HydrophobicContact CB-CE1 4.05Å; I75-F202 HydrophobicContact CD1-CE1 4.15Å; I75-F202 HydrophobicContact CG2-CD1 3.58Å; I75-F202 HydrophobicContact CG2-CD2 4.35Å; I75-F202 HydrophobicContact CG2-CE1 3.4Å; I75-F202 VanDerWaalsContact CG2-CE1 3.4Å; I75-F202 HydrophobicContact CG2-CE2 4.19Å; I75-F202 HydrophobicContact CG2-CG 4.07Å; I75-F202 HydrophobicContact CG2-CZ 3.7Å; L79-F202 HydrophobicContact CD1-CD2 3.91Å; L79-F202 HydrophobicContact CD1-CE2 4.07Å; W198-F202 HydrophobicContact CE3-CD2 4.45Å; W198-F202 HydrophobicContact CE3-CE2 4.34Å; W198-F202 VanDerWaalsContact O-CD2 3.28Å; W198-F202 WeakPolarHBondContact O-CD2 3.47Å; W198-F202 PolarHBondContact O-N 3.38Å; G199-F202 PolarHBondContact O-N 3.48Å; V200-F202 VanDerWaalsContact C-N 3.31Å; V200-F202 PolarHBondContact O-N 3.31Å; F202-T205 PolarHBondContact O-OG1 3.32Å; F202-N206 WeakPolarHBondContact O-CB 3.36Å; F202-N206 PolarHBondContact O-N 2.82Å; F202-N206 VanDerWaalsContact O-N 3.07Å
203M95.9Very high93.3Very high40 Ų4050 Ų5020%0.19726%0.259CS..Hα-helixtrans-57.5-55.9174.4-64.7-67.811300111.5Y73 G76 I77 I80 G199 V200 N206 T207Y73-M203 HydrophobicContact CD1-CE 3.77Å; Y73-M203 HydrophobicContact CD1-SD 3.61Å; Y73-M203 HydrophobicContact CE1-SD 4.15Å; Y73-M203 WeakPolarHBondContact O-CE 3.4Å; G76-M203 VanDerWaalsContact CA-CE 3.43Å; I77-M203 HydrophobicContact CG1-CE 3.85Å; I77-M203 HydrophobicContact CG1-SD 4.42Å; I80-M203 HydrophobicContact CD1-CG 4.45Å; G199-M203 WeakPolarHBondContact O-CG 3.19Å; G199-M203 PolarHBondContact O-N 2.9Å; G199-M203 VanDerWaalsContact O-N 3.16Å; V200-M203 WeakPolarHBondContact O-CB 3.4Å; V200-M203 PolarHBondContact O-N 3.46Å; V200-M203 VanDerWaalsContact O-N 3.14Å; M203-N206 PolarHBondContact O-N 3.19Å; M203-T207 PolarHBondContact O-N 3.5Å; M203-T207 PolarHBondContact O-OG1 3.32Å
204V95.9Very high92Very high83 Ų8351.8 Ų51.850%0.50326%0.26SS..Hα-helixtrans-63.4-48.4-174.5173.30000111V200 T201 N206 T207 C208V200-V204 HydrophobicContact CG1-CG2 4.19Å; V200-V204 WeakPolarHBondContact O-CG2 3.34Å; V200-V204 PolarHBondContact O-N 2.96Å; T201-V204 PolarHBondContact O-N 3.08Å; V204-N206 VanDerWaalsContact C-N 3.29Å; V204-N206 PolarHBondContact O-N 3.04Å; V204-T207 PolarHBondContact O-N 2.86Å; V204-C208 PolarHBondContact O-N 3.21Å; V204-C208 PolarHBondContact O-SG 2.97Å
205T94.4Very high90.9Very high37 Ų3752.8 Ų52.823%0.22727%0.265CS..Hα-helixtrans-62.7-36.9179.953.10000112.2L6 Q72 T201 F202 C208 L209L6-T205 HydrophobicContact CD1-CG2 4.38Å; L6-T205 WeakPolarHBondContact CD1-OG1 3.39Å; Q72-T205 PolarHBondContact NE2-OG1 3.12Å; T201-T205 HydrophobicContact CG2-CG2 4.09Å; T201-T205 VanDerWaalsContact O-CB 3.31Å; T201-T205 WeakPolarHBondContact O-CB 3.32Å; T201-T205 WeakPolarHBondContact O-CG2 3.25Å; T201-T205 PolarHBondContact O-N 3.4Å; T201-T205 PolarHBondContact O-OG1 2.95Å; F202-T205 PolarHBondContact O-OG1 3.32Å; T205-C208 PolarHBondContact O-N 3.37Å; T205-L209 PolarHBondContact O-N 3.43Å
206N93.7Very high89.3Confident0 Ų059.5 Ų59.50%030%0.301CS..Hα-helixtrans-68.4-44176.2-163.531.7000111.4I69 Q72 Y73 F202 M203 V204 C208 L209 V210I69-N206 PolarHBondContact O-ND2 3.49Å; Q72-N206 HydrophobicContact CB-CB 4.25Å; Q72-N206 HydrophobicContact CG-CB 3.9Å; Y73-N206 HydrophobicContact CD1-CB 4.24Å; Y73-N206 VanDerWaalsContact CD1-ND2 3.35Å; Y73-N206 WeakPolarHBondContact CD1-ND2 3.39Å; Y73-N206 WeakPolarHBondContact CD2-ND2 3.49Å; Y73-N206 HydrophobicContact CE1-CB 3.94Å; Y73-N206 WeakPolarHBondContact CE1-ND2 3.41Å; Y73-N206 WeakPolarHBondContact CE2-ND2 3.1Å; Y73-N206 VanDerWaalsContact CZ-ND2 3.34Å; Y73-N206 PolarHBondContact N-ND2 3.08Å; F202-N206 WeakPolarHBondContact O-CB 3.36Å; F202-N206 PolarHBondContact O-N 2.82Å; F202-N206 VanDerWaalsContact O-N 3.07Å; M203-N206 PolarHBondContact O-N 3.19Å; V204-N206 VanDerWaalsContact C-N 3.29Å; V204-N206 PolarHBondContact O-N 3.04Å; N206-C208 VanDerWaalsContact C-N 3.3Å; N206-C208 PolarHBondContact O-N 2.87Å; N206-L209 WeakPolarHBondContact O-CB 3.45Å; N206-L209 PolarHBondContact O-N 2.91Å; N206-V210 WeakPolarHBondContact O-CG2 3.38Å; N206-V210 PolarHBondContact O-N 3.42Å
207T92.6Very high87.5Confident59 Ų5960.1 Ų60.136%0.36231%0.313SS..Hα-helixtrans-58-43.2173.3-54.10000111.3Y73 M203 V204 L209 V210 L211Y73-T207 PolarHBondContact OH-OG1 3.07Å; M203-T207 PolarHBondContact O-N 3.5Å; M203-T207 PolarHBondContact O-OG1 3.32Å; V204-T207 PolarHBondContact O-N 2.86Å; T207-L209 VanDerWaalsContact C-N 3.33Å; T207-L209 PolarHBondContact O-N 3.5Å; T207-V210 PolarHBondContact O-N 3.12Å; T207-L211 HydrophobicContact CG2-CD1 4.07Å; T207-L211 VanDerWaalsContact O-CG 3.28Å; T207-L211 WeakPolarHBondContact O-CG 3.33Å; T207-L211 PolarHBondContact O-N 3.17Å; T207-L211 VanDerWaalsContact O-N 3.11Å
208C92.2Very high85.8Confident53 Ų5355 Ų5536%0.35829%0.291SS..Hα-helixtrans-61.5-39.5173.5-67.10000112.6V204 T205 N206 L211 F212V204-C208 PolarHBondContact O-N 3.21Å; V204-C208 PolarHBondContact O-SG 2.97Å; T205-C208 PolarHBondContact O-N 3.37Å; N206-C208 VanDerWaalsContact C-N 3.3Å; N206-C208 PolarHBondContact O-N 2.87Å; C208-L211 PolarHBondContact O-N 3.39Å; C208-F212 HydrophobicContact CB-CD2 4.07Å; C208-F212 HydrophobicContact CB-CE2 4.32Å; C208-F212 WeakPolarHBondContact O-CB 3.45Å; C208-F212 WeakPolarHBondContact O-CD2 3.39Å; C208-F212 PolarHBondContact O-N 3.28Å
209L89.2Confident84.1Confident20 Ų2059.8 Ų59.811%0.10531%0.313CS..Hα-helixtrans-62-44.4177.5-175.8148.2000111.8L3 L68 I69 W133 T205 N206 T207 L211 K213L3-L209 HydrophobicContact CD1-CD1 4.01Å; L3-L209 HydrophobicContact CD2-CD1 3.64Å; L3-L209 HydrophobicContact CG-CD1 4.26Å; L68-L209 HydrophobicContact CD2-CD1 3.57Å; L68-L209 HydrophobicContact CD2-CD2 4.07Å; L68-L209 HydrophobicContact CD2-CG 4.5Å; I69-L209 HydrophobicContact CG1-CD2 4.07Å; W133-L209 HydrophobicContact CH2-CD1 4.45Å; W133-L209 HydrophobicContact CZ3-CD1 4.1Å; T205-L209 PolarHBondContact O-N 3.43Å; N206-L209 WeakPolarHBondContact O-CB 3.45Å; N206-L209 PolarHBondContact O-N 2.91Å; T207-L209 VanDerWaalsContact C-N 3.33Å; T207-L209 PolarHBondContact O-N 3.5Å; L209-L211 VanDerWaalsContact C-N 3.3Å; L209-L211 PolarHBondContact O-N 3.39Å; L209-K213 PolarHBondContact O-N 3.41Å; L209-K213 VanDerWaalsContact O-N 3.16Å
210V86Confident82.5Confident49 Ų4963.5 Ų63.530%0.29733%0.332SS..Hα-helixtrans-59.7-42.6176.2-179.50000111I69 N206 T207I69-V210 HydrophobicContact CB-CG2 4.5Å; I69-V210 HydrophobicContact CD1-CG2 3.62Å; I69-V210 HydrophobicContact CG1-CG2 3.85Å; I69-V210 HydrophobicContact CG2-CG2 3.81Å; N206-V210 WeakPolarHBondContact O-CG2 3.38Å; N206-V210 PolarHBondContact O-N 3.42Å; T207-V210 PolarHBondContact O-N 3.12Å
211L84.7Confident80.9Confident77 Ų7761.3 Ų61.340%0.40332%0.319SS..Hα-helixtrans-78.2-37.1-174.1-67.1173.5000114.2T207 C208 L209 F224T207-L211 HydrophobicContact CG2-CD1 4.07Å; T207-L211 VanDerWaalsContact O-CG 3.28Å; T207-L211 WeakPolarHBondContact O-CG 3.33Å; T207-L211 PolarHBondContact O-N 3.17Å; T207-L211 VanDerWaalsContact O-N 3.11Å; C208-L211 PolarHBondContact O-N 3.39Å; L209-L211 VanDerWaalsContact C-N 3.3Å; L209-L211 PolarHBondContact O-N 3.39Å; L211-F224 HydrophobicContact CD2-CE2 4.43Å; L211-F224 HydrophobicContact CD2-CZ 4.15Å
212F84Confident79.5Confident163 Ų16362.3 Ų62.372%0.71533%0.325SS*.Hα-helixtrans-105.1-32.9-168.2-66.4-61.7000114.3C208 H214C208-F212 HydrophobicContact CB-CD2 4.07Å; C208-F212 HydrophobicContact CB-CE2 4.32Å; C208-F212 WeakPolarHBondContact O-CB 3.45Å; C208-F212 WeakPolarHBondContact O-CD2 3.39Å; C208-F212 PolarHBondContact O-N 3.28Å; F212-H214 PolarHBondContact O-ND1 3.22Å; F212-H214 VanDerWaalsContact O-ND1 3.14Å
213K81.5Confident78.2Confident84 Ų8468.6 Ų68.637%0.36535%0.354SS..  trans-101.2122.6-173.6-176.261.1-170.4-176.60109.8K65 W133 I137 L209K65-K213 WeakPolarHBondContact CE-O 3.09Å; K65-K213 PolarHBondContact NZ-O 2.8Å; W133-K213 HydrophobicContact CH2-CB 4.35Å; W133-K213 HydrophobicContact CH2-CG 3.44Å; W133-K213 VanDerWaalsContact CH2-CG 3.44Å; W133-K213 HydrophobicContact CZ2-CD 4.42Å; W133-K213 HydrophobicContact CZ2-CG 3.62Å; I137-K213 HydrophobicContact CD1-CD 4.41Å; L209-K213 PolarHBondContact O-N 3.41Å; L209-K213 VanDerWaalsContact O-N 3.16Å
214H69.4Low76.9Confident63 Ų6370 Ų7029%0.29236%0.359SS..  trans-108.1142.4-178.2-58.574.2000110.1F212 D221 F224F212-H214 PolarHBondContact O-ND1 3.22Å; F212-H214 VanDerWaalsContact O-ND1 3.14Å; H214-D221 WeakPolarHBondContact CA-OD2 3.43Å; H214-D221 HydrophobicContact CB-CB 3.99Å; H214-D221 IonicContact CD2-OD1 3.28Å; H214-D221 PolarHBondContact CD2-OD1 3.36Å; H214-D221 VanDerWaalsContact CD2-OD1 3.28Å; H214-D221 IonicContact CG-OD1 3.84Å; H214-F224 AromaticContact NE2-CD1 3.43Å; H214-F224 WeakPolarHBondContact NE2-CD1 3.27Å
215E73.2Confident75.6Confident28 Ų2872.7 Ų72.713%0.13136%0.36CS..  trans-101.7130.7173.6-164.2171.5175.900107.2G62 R63 R64 K65 S218 D221G62-E215 WeakPolarHBondContact CA-OE2 3.13Å; R63-E215 PolarHBondContact N-OE1 2.96Å; R63-E215 PolarHBondContact N-OE2 3.39Å; R64-E215 WeakPolarHBondContact CG-OE1 3.49Å; R64-E215 PolarHBondContact N-OE1 3.06Å; R64-E215 PolarHBondContact N-OE2 2.81Å; K65-E215 HydrophobicContact CD-CB 4.2Å; K65-E215 PolarHBondContact N-OE2 3.31Å; E215-S218 PolarHBondContact O-N 3.39Å; E215-D221 PolarHBondContact N-OD2 2.85Å
216N62.5Low74.6Confident141 Ų14174.9 Ų74.975%0.75437%0.371SS*.THydrogen-bonded Turntrans-61146.5172.4-65.3-13.6000107.9S218N216-S218 PolarHBondContact O-N 3.4Å
217D61.3Low73.9Confident143 Ų14378.5 Ų78.577%0.76540%0.395SS*.THydrogen-bonded Turntrans79.50.4-178.2-43.7-48.2000117.2
218S60Low72.9Confident2 Ų278.8 Ų78.81%0.01439%0.394CS..  trans-88.8127.7174.5102.40000112.6H60 E215 N216 L220 D221 T222H60-S218 WeakPolarHBondContact O-CB 3.47Å; E215-S218 PolarHBondContact O-N 3.39Å; N216-S218 PolarHBondContact O-N 3.4Å; S218-L220 VanDerWaalsContact C-N 3.32Å; S218-D221 PolarHBondContact O-N 3.32Å; S218-D221 WeakPolarHBondContact OG-CB 3.47Å; S218-D221 PolarHBondContact OG-N 2.73Å; S218-D221 PolarHBondContact OG-OD2 3.45Å; S218-T222 PolarHBondContact O-N 3.49Å; S218-T222 VanDerWaalsContact O-N 3.17Å; S218-T222 PolarHBondContact O-OG1 3.25Å
219K61.6Low72.1Confident126 Ų12682.2 Ų82.255%0.54841%0.405SS..Hα-helixtrans-65-37.6175.4-75.1-174.2179.5-179.90111.6H60 D221 T222 E223H60-K219 PolarHBondContact O-N 2.73Å; K219-D221 VanDerWaalsContact C-N 3.33Å; K219-D221 PolarHBondContact O-N 2.96Å; K219-T222 WeakPolarHBondContact O-CB 3.4Å; K219-T222 PolarHBondContact O-N 3.03Å; K219-T222 VanDerWaalsContact O-N 3.14Å; K219-E223 PolarHBondContact O-N 2.94Å
220L64.6Low71.6Confident78 Ų7885.8 Ų85.841%0.40842%0.424SS..Hα-helixtrans-59.5-44.5177.5-177.468.8000111.1H60 I61 S218 T222 E223 F224H60-L220 WeakPolarHBondContact O-CB 3.34Å; H60-L220 PolarHBondContact O-N 2.7Å; I61-L220 HydrophobicContact CG1-CD2 4.34Å; S218-L220 VanDerWaalsContact C-N 3.32Å; L220-T222 VanDerWaalsContact C-N 3.29Å; L220-T222 PolarHBondContact O-N 3.5Å; L220-E223 PolarHBondContact O-N 3.24Å; L220-F224 VanDerWaalsContact O-CB 3.27Å; L220-F224 WeakPolarHBondContact O-CB 3.49Å; L220-F224 PolarHBondContact O-N 3.5Å
221D63.4Low71.4Confident9 Ų988.2 Ų88.25%0.04843%0.434CS..Hα-helixtrans-68.4-32.1177.8-70.9-32.8000111.7K65 H214 E215 S218 K219 R225K65-D221 IonicContact NZ-OD1 3.96Å; K65-D221 PolarHBondContact NZ-OD1 3.33Å; K65-D221 IonicContact NZ-OD2 2.94Å; K65-D221 PolarHBondContact NZ-OD2 3.44Å; H214-D221 WeakPolarHBondContact CA-OD2 3.43Å; H214-D221 HydrophobicContact CB-CB 3.99Å; H214-D221 IonicContact CD2-OD1 3.28Å; H214-D221 PolarHBondContact CD2-OD1 3.36Å; H214-D221 VanDerWaalsContact CD2-OD1 3.28Å; H214-D221 IonicContact CG-OD1 3.84Å; E215-D221 PolarHBondContact N-OD2 2.85Å; S218-D221 PolarHBondContact O-N 3.32Å; S218-D221 WeakPolarHBondContact OG-CB 3.47Å; S218-D221 PolarHBondContact OG-N 2.73Å; S218-D221 PolarHBondContact OG-OD2 3.45Å; K219-D221 VanDerWaalsContact C-N 3.33Å; K219-D221 PolarHBondContact O-N 2.96Å; D221-R225 WeakPolarHBondContact O-CB 3.37Å; D221-R225 PolarHBondContact O-N 2.87Å
222T66.5Low71Confident53 Ų5389.4 Ų89.433%0.32544%0.437SS..Hα-helixtrans-68.6-46.5176.1-60.80000111.8S218 K219 L220 R225 N226S218-T222 PolarHBondContact O-N 3.49Å; S218-T222 VanDerWaalsContact O-N 3.17Å; S218-T222 PolarHBondContact O-OG1 3.25Å; K219-T222 WeakPolarHBondContact O-CB 3.4Å; K219-T222 PolarHBondContact O-N 3.03Å; K219-T222 VanDerWaalsContact O-N 3.14Å; L220-T222 VanDerWaalsContact C-N 3.29Å; L220-T222 PolarHBondContact O-N 3.5Å; T222-R225 PolarHBondContact O-N 3.43Å; T222-N226 VanDerWaalsContact O-CG 3.28Å; T222-N226 PolarHBondContact O-N 3.48Å
223E69.6Low70.7Confident133 Ų13388 Ų8862%0.62143%0.427SS*.Hα-helixtrans-64.8-43.7176-73.1-177176.200111.5K219 L220 R225 N226 C227K219-E223 PolarHBondContact O-N 2.94Å; L220-E223 PolarHBondContact O-N 3.24Å; E223-R225 PolarHBondContact O-N 3.32Å; E223-N226 PolarHBondContact O-N 3.4Å; E223-C227 WeakPolarHBondContact O-CB 3.27Å; E223-C227 PolarHBondContact O-N 2.95Å
224F69.6Low70.5Confident68 Ų6890.5 Ų90.530%0.29844%0.438SS..Hα-helixtrans-63.9-41176.2-169.7-97.7000111.7L211 H214 L220 N226 C227 L228L211-F224 HydrophobicContact CD2-CE2 4.43Å; L211-F224 HydrophobicContact CD2-CZ 4.15Å; H214-F224 AromaticContact NE2-CD1 3.43Å; H214-F224 WeakPolarHBondContact NE2-CD1 3.27Å; L220-F224 VanDerWaalsContact O-CB 3.27Å; L220-F224 WeakPolarHBondContact O-CB 3.49Å; L220-F224 PolarHBondContact O-N 3.5Å; F224-N226 VanDerWaalsContact C-N 3.32Å; F224-N226 PolarHBondContact O-N 2.66Å; F224-C227 PolarHBondContact O-N 3.26Å; F224-L228 HydrophobicContact CE1-CB 4.43Å; F224-L228 HydrophobicContact CE1-CD1 3.96Å; F224-L228 HydrophobicContact CE1-CD2 4.38Å; F224-L228 HydrophobicContact CE1-CG 4.49Å; F224-L228 HydrophobicContact CZ-CD1 4.02Å; F224-L228 VanDerWaalsContact O-CB 3.3Å; F224-L228 WeakPolarHBondContact O-CB 3.31Å; F224-L228 PolarHBondContact O-N 2.64Å
225R66.9Low70.8Confident141 Ų14192 Ų9253%0.53245%0.448SS..Hα-helixtrans-57.8-45.1173.4-176.9-177.569.2-134.23.5111.4D221 T222 E223 L228 H229D221-R225 WeakPolarHBondContact O-CB 3.37Å; D221-R225 PolarHBondContact O-N 2.87Å; T222-R225 PolarHBondContact O-N 3.43Å; E223-R225 PolarHBondContact O-N 3.32Å; R225-L228 PolarHBondContact O-N 3.24Å; R225-H229 WeakPolarHBondContact O-CB 3.26Å; R225-H229 PolarHBondContact O-N 2.85Å
226N73.9Confident70.9Confident83 Ų8397.6 Ų97.644%0.44447%0.472SS..Hα-helixtrans-64.6-41.4178-68.4-13.1000111.2T222 E223 F224 N230T222-N226 VanDerWaalsContact O-CG 3.28Å; T222-N226 PolarHBondContact O-N 3.48Å; E223-N226 PolarHBondContact O-N 3.4Å; F224-N226 VanDerWaalsContact C-N 3.32Å; F224-N226 PolarHBondContact O-N 2.66Å; N226-N230 VanDerWaalsContact O-CB 3.32Å; N226-N230 WeakPolarHBondContact O-CB 3.47Å; N226-N230 PolarHBondContact O-N 3.28Å; N226-N230 PolarHBondContact O-ND2 3.46Å
227C78.1Confident71.6Confident76 Ų7696 Ų9651%0.51446%0.459SS..Hα-helixtrans-63.5-49.5175.9-1740000112.1E223 F224 N230 L231E223-C227 WeakPolarHBondContact O-CB 3.27Å; E223-C227 PolarHBondContact O-N 2.95Å; F224-C227 PolarHBondContact O-N 3.26Å; C227-N230 PolarHBondContact O-N 3.43Å; C227-L231 WeakPolarHBondContact O-CB 3.4Å; C227-L231 PolarHBondContact O-N 3.33Å
228L72.8Confident71.9Confident65 Ų6598.4 Ų98.434%0.3446%0.457SS..Hα-helixtrans-65-41.5-179.8-15983.7000111.1F224 R225 L231 F232F224-L228 HydrophobicContact CE1-CB 4.43Å; F224-L228 HydrophobicContact CE1-CD1 3.96Å; F224-L228 HydrophobicContact CE1-CD2 4.38Å; F224-L228 HydrophobicContact CE1-CG 4.49Å; F224-L228 HydrophobicContact CZ-CD1 4.02Å; F224-L228 VanDerWaalsContact O-CB 3.3Å; F224-L228 WeakPolarHBondContact O-CB 3.31Å; F224-L228 PolarHBondContact O-N 2.64Å; R225-L228 PolarHBondContact O-N 3.24Å; L228-L231 PolarHBondContact O-N 3.13Å; L228-F232 HydrophobicContact CD1-CE2 4.2Å; L228-F232 HydrophobicContact CD2-CD2 4.14Å; L228-F232 HydrophobicContact CD2-CE2 3.72Å; L228-F232 HydrophobicContact CG-CD2 3.78Å; L228-F232 HydrophobicContact CG-CE2 3.63Å; L228-F232 WeakPolarHBondContact O-CB 3.41Å; L228-F232 VanDerWaalsContact O-CD2 3.26Å; L228-F232 WeakPolarHBondContact O-CD2 3.33Å; L228-F232 PolarHBondContact O-N 2.62Å
229H76Confident72.2Confident125 Ų125106 Ų10658%0.57949%0.49SS*.Hα-helixtrans-61.8-43.4174.4-173.8-94.1000111.2R225 L231 F232 Y233R225-H229 WeakPolarHBondContact O-CB 3.26Å; R225-H229 PolarHBondContact O-N 2.85Å; H229-L231 VanDerWaalsContact C-N 3.34Å; H229-L231 PolarHBondContact O-N 3.37Å; H229-F232 PolarHBondContact O-N 3.12Å; H229-Y233 WeakPolarHBondContact O-CB 3.46Å; H229-Y233 PolarHBondContact O-N 3.45Å
230N78.9Confident72.3Confident95 Ų95102.6 Ų102.651%0.50849%0.485SS..Hα-helixtrans-64.3-37.8174.4-75.7-21.7000112.3N226 C227 K234N226-N230 VanDerWaalsContact O-CB 3.32Å; N226-N230 WeakPolarHBondContact O-CB 3.47Å; N226-N230 PolarHBondContact O-N 3.28Å; N226-N230 PolarHBondContact O-ND2 3.46Å; C227-N230 PolarHBondContact O-N 3.43Å; N230-K234 WeakPolarHBondContact O-CB 3.3Å; N230-K234 WeakPolarHBondContact O-CG 3.48Å; N230-K234 PolarHBondContact O-N 3.12Å
231L80.6Confident72.1Confident99 Ų99103.4 Ų103.452%0.51849%0.49SS..Hα-helixtrans-67-47.9176.5-158.294.6000111.2C227 L228 H229 K234 L235C227-L231 WeakPolarHBondContact O-CB 3.4Å; C227-L231 PolarHBondContact O-N 3.33Å; L228-L231 PolarHBondContact O-N 3.13Å; H229-L231 VanDerWaalsContact C-N 3.34Å; H229-L231 PolarHBondContact O-N 3.37Å; L231-K234 PolarHBondContact O-N 3.14Å; L231-L235 HydrophobicContact CD2-CD1 4.25Å; L231-L235 HydrophobicContact CG-CD1 4.41Å; L231-L235 WeakPolarHBondContact O-CB 3.39Å; L231-L235 WeakPolarHBondContact O-CG 3.5Å; L231-L235 PolarHBondContact O-N 2.67Å
232F76.5Confident71.7Confident102 Ų102108.4 Ų108.445%0.44752%0.516SS..Hα-helixtrans-64.5-42.3176.5-84.7-64.9000111.9L228 H229 K234 L235 F236L228-F232 HydrophobicContact CD1-CE2 4.2Å; L228-F232 HydrophobicContact CD2-CD2 4.14Å; L228-F232 HydrophobicContact CD2-CE2 3.72Å; L228-F232 HydrophobicContact CG-CD2 3.78Å; L228-F232 HydrophobicContact CG-CE2 3.63Å; L228-F232 WeakPolarHBondContact O-CB 3.41Å; L228-F232 VanDerWaalsContact O-CD2 3.26Å; L228-F232 WeakPolarHBondContact O-CD2 3.33Å; L228-F232 PolarHBondContact O-N 2.62Å; H229-F232 PolarHBondContact O-N 3.12Å; F232-K234 VanDerWaalsContact C-N 3.35Å; F232-K234 PolarHBondContact O-N 3.1Å; F232-L235 PolarHBondContact O-N 3.36Å; F232-F236 HydrophobicContact CD1-CE2 4.39Å; F232-F236 WeakPolarHBondContact O-CB 3.49Å; F232-F236 WeakPolarHBondContact O-CD2 3.4Å; F232-F236 PolarHBondContact O-N 3.43Å
233Y77.3Confident71.1Confident133 Ų133109 Ų10952%0.52252%0.522SS..Hα-helixtrans-59.4-44.7174.4178.4-105.1000111.3H229 L235 K237H229-Y233 WeakPolarHBondContact O-CB 3.46Å; H229-Y233 PolarHBondContact O-N 3.45Å; Y233-L235 PolarHBondContact O-N 3.28Å; Y233-K237 HydrophobicContact CE1-CD 4.24Å; Y233-K237 WeakPolarHBondContact O-CB 3.34Å; Y233-K237 PolarHBondContact O-N 3.23Å
234K78.4Confident70.3Confident137 Ų137108.4 Ų108.460%0.59652%0.519SS*.Hα-helixtrans-62.4-41.5174.2-79.9-178.7178.7-179.70112.5N230 L231 F232 R238N230-K234 WeakPolarHBondContact O-CB 3.3Å; N230-K234 WeakPolarHBondContact O-CG 3.48Å; N230-K234 PolarHBondContact O-N 3.12Å; L231-K234 PolarHBondContact O-N 3.14Å; F232-K234 VanDerWaalsContact C-N 3.35Å; F232-K234 PolarHBondContact O-N 3.1Å; K234-R238 WeakPolarHBondContact O-CB 3.37Å; K234-R238 WeakPolarHBondContact O-CG 3.28Å; K234-R238 PolarHBondContact O-N 3.21Å
235L75.8Confident69.3Low94 Ų94108 Ų10849%0.49253%0.525SS..Hα-helixtrans-69.3-44.5179-73.2170.3000112.2L231 F232 Y233 R238 K239L231-L235 HydrophobicContact CD2-CD1 4.25Å; L231-L235 HydrophobicContact CG-CD1 4.41Å; L231-L235 WeakPolarHBondContact O-CB 3.39Å; L231-L235 WeakPolarHBondContact O-CG 3.5Å; L231-L235 PolarHBondContact O-N 2.67Å; F232-L235 PolarHBondContact O-N 3.36Å; Y233-L235 PolarHBondContact O-N 3.28Å; L235-R238 PolarHBondContact O-N 3.06Å; L235-K239 WeakPolarHBondContact O-CB 3.05Å; L235-K239 PolarHBondContact O-N 2.87Å
236F73.6Confident68.5Low147 Ų147107.2 Ų107.265%0.64553%0.527SS*.Hα-helixtrans-66.7-42.2176.7-93.8-82.2000111.8F232 R238 K239 A240F232-F236 HydrophobicContact CD1-CE2 4.39Å; F232-F236 WeakPolarHBondContact O-CB 3.49Å; F232-F236 WeakPolarHBondContact O-CD2 3.4Å; F232-F236 PolarHBondContact O-N 3.43Å; F236-R238 PolarHBondContact O-N 3Å; F236-K239 PolarHBondContact O-N 3.25Å; F236-K239 VanDerWaalsContact O-N 3.17Å; F236-A240 WeakPolarHBondContact O-CB 3.37Å; F236-A240 PolarHBondContact O-N 3.11Å
237K77.2Confident67.1Low107 Ų107112.3 Ų112.347%0.46554%0.54SS..Hα-helixtrans-63.3-39.8175.4-169.7171.5-176.6173.70111.8Y233 N241Y233-K237 HydrophobicContact CE1-CD 4.24Å; Y233-K237 WeakPolarHBondContact O-CB 3.34Å; Y233-K237 PolarHBondContact O-N 3.23Å; K237-N241 WeakPolarHBondContact O-CB 3.25Å; K237-N241 VanDerWaalsContact O-CG 3.29Å; K237-N241 PolarHBondContact O-N 2.9Å; K237-N241 PolarHBondContact O-OD1 3.31Å
238R68.4Low65.7Low193 Ų193114.4 Ų114.473%0.72855%0.545SS*.Hα-helixtrans-62.8-40.5172.1-83.2-177.3175.5179.6-1.1112.2K234 L235 F236 L242K234-R238 WeakPolarHBondContact O-CB 3.37Å; K234-R238 WeakPolarHBondContact O-CG 3.28Å; K234-R238 PolarHBondContact O-N 3.21Å; L235-R238 PolarHBondContact O-N 3.06Å; F236-R238 PolarHBondContact O-N 3Å; R238-L242 WeakPolarHBondContact O-CB 3.45Å; R238-L242 PolarHBondContact O-N 3.04Å
239K66.1Low64.2Low162 Ų162117.2 Ų117.270%0.70456%0.561SS**Hα-helixtrans-71.9-35.3-179.6-145.6176.9-174.9-176.80112.6L235 F236 S243L235-K239 WeakPolarHBondContact O-CB 3.05Å; L235-K239 PolarHBondContact O-N 2.87Å; F236-K239 PolarHBondContact O-N 3.25Å; F236-K239 VanDerWaalsContact O-N 3.17Å; K239-S243 WeakPolarHBondContact O-CB 3.48Å; K239-S243 PolarHBondContact O-N 2.89Å; K239-S243 VanDerWaalsContact O-N 3.08Å
240A63.1Low62.7Low54 Ų54118.4 Ų118.445%0.44657%0.566SS.*Hα-helixtrans-64.8-48.5172.200000111.4F236 L242 S243 E244F236-A240 WeakPolarHBondContact O-CB 3.37Å; F236-A240 PolarHBondContact O-N 3.11Å; A240-L242 VanDerWaalsContact C-N 3.31Å; A240-L242 PolarHBondContact O-N 3.38Å; A240-S243 WeakPolarHBondContact O-CB 3.49Å; A240-S243 PolarHBondContact O-N 3.37Å; A240-E244 PolarHBondContact O-N 2.87Å
241N61.9Low60.9Low95 Ų95122.1 Ų122.151%0.50858%0.58SS.*Hα-helixtrans-65.3-31.9178.2-69.35.9000112.8K237 S245K237-N241 WeakPolarHBondContact O-CB 3.25Å; K237-N241 VanDerWaalsContact O-CG 3.29Å; K237-N241 PolarHBondContact O-N 2.9Å; K237-N241 PolarHBondContact O-OD1 3.31Å; N241-S245 WeakPolarHBondContact O-CB 3.17Å; N241-S245 PolarHBondContact O-N 3.36Å; N241-S245 VanDerWaalsContact O-N 3.07Å
242L55.1Low59Low115 Ų115125.6 Ų125.660%0.60259%0.594SS**Hα-helixtrans-71.7-36.9174.7-132.782.2000112.3R238 A240 E244 H246R238-L242 WeakPolarHBondContact O-CB 3.45Å; R238-L242 PolarHBondContact O-N 3.04Å; A240-L242 VanDerWaalsContact C-N 3.31Å; A240-L242 PolarHBondContact O-N 3.38Å; L242-E244 VanDerWaalsContact C-N 3.34Å; L242-H246 PolarHBondContact O-CD2 3.29Å; L242-H246 PolarHBondContact O-N 2.9Å; L242-H246 VanDerWaalsContact O-N 3.13Å
243S52.3Low56.9Low65 Ų65125.4 Ų125.446%0.45561%0.605SS.*Hα-helixtrans-67.5-34.8175.5171.90000112.1K239 A240 R247K239-S243 WeakPolarHBondContact O-CB 3.48Å; K239-S243 PolarHBondContact O-N 2.89Å; K239-S243 VanDerWaalsContact O-N 3.08Å; A240-S243 WeakPolarHBondContact O-CB 3.49Å; A240-S243 PolarHBondContact O-N 3.37Å; S243-R247 PolarHBondContact O-N 3.18Å
244E54.6Low54.8Low120 Ų120124.9 Ų124.956%0.56162%0.616SS**Hα-helixtrans-78-38.5179.8-155.7156.7-155.100111.5A240 L242 H246 R247 L248A240-E244 PolarHBondContact O-N 2.87Å; L242-E244 VanDerWaalsContact C-N 3.34Å; E244-H246 VanDerWaalsContact C-N 3.35Å; E244-H246 PolarHBondContact O-N 2.74Å; E244-R247 PolarHBondContact O-N 3.5Å; E244-L248 HydrophobicContact CG-CD1 4.03Å; E244-L248 WeakPolarHBondContact O-CB 3.5Å; E244-L248 PolarHBondContact O-N 2.97Å
245S48.7Very low52.7Low60 Ų60126.4 Ų126.442%0.4263%0.625SS.*Hα-helixtrans-59.9-38.8169.9168.40000113.1N241 N249N241-S245 WeakPolarHBondContact O-CB 3.17Å; N241-S245 PolarHBondContact O-N 3.36Å; N241-S245 VanDerWaalsContact O-N 3.07Å; S245-N249 WeakPolarHBondContact O-CB 3.28Å; S245-N249 PolarHBondContact O-N 3.5Å; S245-N249 PolarHBondContact O-ND2 2.81Å; S245-N249 VanDerWaalsContact O-ND2 3.14Å
246H49.7Very low50.6Low125 Ų125127.9 Ų127.958%0.57964%0.638SS**Hα-helixtrans-75.7-24.8175.9-91.1-74.9000114.1L242 E244L242-H246 PolarHBondContact O-CD2 3.29Å; L242-H246 PolarHBondContact O-N 2.9Å; L242-H246 VanDerWaalsContact O-N 3.13Å; E244-H246 VanDerWaalsContact C-N 3.35Å; E244-H246 PolarHBondContact O-N 2.74Å
247R45Very low48.8Very low190 Ų190127.1 Ų127.172%0.71764%0.641SS**Hα-helixtrans-81.9-32.7173.9-81-172-170.5-161.41.6113.4S243 E244S243-R247 PolarHBondContact O-N 3.18Å; E244-R247 PolarHBondContact O-N 3.5Å
248L47Very low46.8Very low119 Ų119128.4 Ų128.462%0.62365%0.653SS**Hα-helixtrans-76.9-27.1177.2-89.6139.6000113.1E244E244-L248 HydrophobicContact CG-CD1 4.03Å; E244-L248 WeakPolarHBondContact O-CB 3.5Å; E244-L248 PolarHBondContact O-N 2.97Å
249N43Very low45.2Very low125 Ų125126 Ų12667%0.66865%0.654SS**SBendtrans-85.2-13.1177.2-73.9-32.8000114.7S245S245-N249 WeakPolarHBondContact O-CB 3.28Å; S245-N249 PolarHBondContact O-N 3.5Å; S245-N249 PolarHBondContact O-ND2 2.81Å; S245-N249 VanDerWaalsContact O-ND2 3.14Å
250H43.9Very low43.8Very low149 Ų149124.5 Ų124.569%0.6965%0.654SS**SBendtrans-97.4-6.6177-101.5-66.7000114.8
251H41.6Very low42.5Very low173 Ų173128.1 Ų128.180%0.80167%0.666SS**SBendtrans-102.15.4-178.6-103.7-68.1000115.2
252H39.5Very low41.2Very low172 Ų172129.5 Ų129.580%0.79667%0.673SS**SBendtrans-11515.2-178-121.1-52.4000115.4
253S33.6Very low40.1Very low99 Ų99130.8 Ų130.869%0.69268%0.681SS**SBendtrans-152.284.5175.6-70.30000109.9
254T32.3Very low39.1Very low121 Ų121132.8 Ų132.874%0.74270%0.695SS**  trans-178120.2147.120.30000111.9
255H33.4Very low37.9Very low169 Ų169133.8 Ų133.878%0.78270%0.702SS**  trans70.591.8147.4-68.1-70.4000120.9
256T32.4Very low37.3Very low126 Ų126138.3 Ų138.377%0.77372%0.717SS**  -76.9139.3127.645.20000110
257N36.2Very low36.5Very low131 Ų131138.1 Ų138.170%0.70172%0.72SS**  trans116.4119.2158.3-68.34.5000117
258D35.2Very low36Very low134 Ų134134.4 Ų134.472%0.71772%0.718SS**  trans93.790.3143.5-56.9-23.6000119.3
259N35.5Very low35.3Very low141 Ų141135.3 Ų135.375%0.75472%0.723SS**  37.4127.4113.7-76.4-17.4000119.8
260N35.6Very low34.7Very low131 Ų131137.2 Ų137.270%0.70173%0.73SS**  trans89.1111.8139.2-68-10.7000119.6
261N35.2Very low34Very low131 Ų131137 Ų13770%0.70173%0.733SS**  110.1123.7122.6-76.66.4000119.2
262D34.6Very low33.4Very low124 Ų124136.5 Ų136.566%0.66373%0.731SS**  trans93.599.2139.8-61.3-26.4000120.8
263N32Very low32.9Very low142 Ų142135 Ų13576%0.75973%0.729SS**  62.4113.7116.6-62.8-30.3000120.7
264S32.3Very low32.5Very low107 Ų107135 Ų13575%0.74873%0.728SS**  145.710612170.30000109.4
265I29.9Very low32.3Very low140 Ų140136.3 Ų136.372%0.71873%0.731SS**  87.4128.884.2-76.2167.9000113
266H35.3Very low31.9Very low156 Ų156135.2 Ų135.272%0.72273%0.731SS**  trans77.3133.6161.2-70.2-34.6000118.1
267N33.8Very low31.7Very low121 Ų121134.7 Ų134.765%0.64773%0.733SS**  cis-176.3150.20.5-116-4.9000108.6
268V33.5Very low31.1Very low112 Ų112136.1 Ų136.168%0.67974%0.74SS**  trans66131135.8174.90000118
269D31.7Very low30.7Very low137 Ų137134 Ų13473%0.73374%0.736SS**  cis-172.4158.6-2.5-107.9-21.3000109.2
270M32Very low30.3Very low166 Ų166134 Ų13482%0.81874%0.741SS**  trans68.7102.5160.5-61.6-146.6-91.500119.2
271I27.6Very low29.9Very low145 Ų145139.1 Ų139.174%0.74475%0.752SS**  55.1102.671.8-54.1176.9000112.4
272Q29.5Very low29.5Very low162 Ų162138.8 Ų138.876%0.75776%0.76SS**  170.5144.596.2-131.7152.9-40.800112.3
273D28.5Very low29.1Very low140 Ų140142 Ų14275%0.74977%0.768SS**  trans80.181156.7-58-25.6000121
274S26.3Very low28.9Very low98 Ų98146.5 Ų146.569%0.68578%0.776SS**  trans-55146.8135.152.40000112.6
275N26.9Very low28.8Very low149 Ų149148.9 Ų148.980%0.79778%0.779SS**  trans97.376.1167.8-55.5-22.9000116.6
276N26.8Very low28.7Very low146 Ų146151.1 Ų151.178%0.78179%0.786SS**  trans-168.888.3137.3-111-17.4000111.1
277S26.4Very low28.4Very low116 Ų116153.1 Ų153.181%0.81180%0.796SS**  trans-120.166.1165.453.50000108.3
278N25.2Very low28.1Very low160 Ų160150.9 Ų150.986%0.85680%0.801SS**  trans-166.565.1167.5-90.8-20.8000109.5
279S26.3Very low27.9Very low91 Ų91153 Ų15364%0.63681%0.807SS**  trans-157.873.1170.872.40000113.5
280T27Very low27.8Very low139 Ų139153.6 Ų153.685%0.85381%0.81SS**SBendtrans-149.741.3161.3-17.60000113
281Y26.8Very low27.8Very low240 Ų240153.1 Ų153.194%0.94181%0.81SS**SBendtrans-151.662.2170.9-105.9-82.5000110.9
282S26.9Very low28Very low123 Ų123154 Ų15486%0.8682%0.816SS**  trans-168.277.2158.5-168.60000109
283K26.7Very low28.1Very low193 Ų193153.6 Ų153.684%0.83982%0.819SS**  trans-155.162.2171.9-148.2175.1-171.81780110.8
284Y28Very low28.2Very low236 Ų236154.4 Ų154.493%0.92582%0.823SS**  trans-151.746.8167.5-85-69.9000111.1
285I29.1Very low28.5Very low157 Ų157154.4 Ų154.481%0.80582%0.823SS**SBendtrans-146.4132160.2-57.5-174.9000105.1
286H27.5Very low28.8Very low186 Ų186156.1 Ų156.186%0.86182%0.824SS**  trans86.189.4-171.5-74.9-81.6000117.2
287E30Very low29Very low199 Ų199157.7 Ų157.793%0.9383%0.831SS**  trans-158.8103.9139.5-111.3175.1-15900106.9
288G27.4Very low29.4Very low73 Ų73157 Ų15775%0.75383%0.826SS**SBendtrans16824.2-176.800000116.3
289I30.1Very low29.8Very low157 Ų157157.9 Ų157.981%0.80583%0.825SS**  trans-150.979.7162.5-52.9179.9000106.8
290D29.8Very low30.1Very low150 Ų150163 Ų16380%0.80284%0.836SS**  trans-123.887.3162.5-78.9-32.5000106.1
291D31.8Very low30.5Very low155 Ų155161.5 Ų161.583%0.82983%0.831SS**  trans179.874.9158.3-91.9-22.6000107.3
292L31.1Very low30.8Very low165 Ų165159.2 Ų159.286%0.86483%0.826SS**  trans-170127.3145.9-129.778.6000111.2N294L292-N294 PolarHBondContact O-N 2.66Å
293D30.8Very low31.2Very low153 Ų153158.3 Ų158.382%0.81882%0.82SS**  trans-45125.5172.4-94-41.9000113.5
294N31.5Very low31.4Very low156 Ų156156.4 Ų156.483%0.83482%0.818SS**  trans-123.773.1165-87.5-43.5000110L292L292-N294 PolarHBondContact O-N 2.66Å
295S31.8Very low31.4Very low99 Ų99156.4 Ų156.469%0.69282%0.818SS**  trans-87.9129146.276.30000107.2
296K34.2Very low31.5Very low185 Ų185157.7 Ų157.780%0.80482%0.821SS**  trans91.282.5-171.9-53.9171.3-178.6177.30115.4
297L30.1Very low31.6Very low179 Ų179155.2 Ų155.294%0.93782%0.819SS**  -168.3146.3116.2-128.173.6000113.3
298S35.7Very low31.6Very low100 Ų100155.3 Ų155.370%0.69982%0.816SS**  trans-82.3126.7-161.2153.30000116.1K300S298-K300 VanDerWaalsContact C-N 3.33Å; S298-K300 PolarHBondContact O-N 3.22Å
299E33.2Very low31.6Very low180 Ų180159.7 Ų159.784%0.84182%0.823SS**SBendtrans10.825.8138.1-112.3175.3-170.400125.3
300K32.9Very low31.5Very low197 Ų197160.9 Ų160.986%0.85783%0.825SS**  trans-11815.7-179-122.8176.3-176178.20117.9S298S298-K300 VanDerWaalsContact C-N 3.33Å; S298-K300 PolarHBondContact O-N 3.22Å
301S34.8Very low31.4Very low109 Ų109162.9 Ų162.976%0.76283%0.829SS**SBendtrans-124.49.5-177.256.10000116S303S301-S303 PolarHBondContact O-N 2.89Å
302K34.6Very low31.2Very low191 Ų191164.1 Ų164.183%0.8383%0.829SS**THydrogen-bonded Turntrans-86.68.3-175.2-81.6-177.6177.1175.50116.4
303S33.7Very low31.1Very low105 Ų105164.3 Ų164.373%0.73483%0.826SS**THydrogen-bonded Turntrans-117.615.5-171.666.90000116.7S301S301-S303 PolarHBondContact O-N 2.89Å
304L30.8Very low31Very low152 Ų152163 Ų16380%0.79682%0.819SS**SBendtrans-11610.6-176-13389.2000116.4
305Y29.6Very low31Very low236 Ų236162.9 Ų162.993%0.92582%0.818SS**SBendtrans-115.217.4-174.2-102.2-84.7000115.4
306Q30.9Very low31.1Very low184 Ų184167 Ų16786%0.8683%0.826SS**SBendtrans-117.719.7-171.1-129.6167.6-3.900115.8
307T29.2Very low30.8Very low134 Ų134165.8 Ų165.882%0.82283%0.828SS**SBendtrans-14074.7-17918.70000111.3
308K29.8Very low30.9Very low202 Ų202163.8 Ų163.888%0.87882%0.817SS**  trans-160.414.4160.6-121.2174.8-176-178.40117.3
309N27.5Very low30.8Very low165 Ų165167 Ų16788%0.88282%0.821SS**  trans-112.276.2174.2-80.7-10.3000110.9
310Q26.9Very low30.9Very low182 Ų182164 Ų16485%0.8581%0.81SS**  trans-17490.9163.4-108.6164.4-2.800108.1
311H28Very low30.8Very low191 Ų191161.3 Ų161.388%0.88481%0.811SS**  trans15896.8154.5-91-56.7000109.5
312H28.9Very low30.8Very low182 Ų182161 Ų16184%0.84380%0.804SS**  176.8107.1108.9-125.4-48.7000108.4
313Q27.5Very low30.8Very low168 Ų168158.6 Ų158.679%0.78580%0.801SS**  trans-107.4148.6162-146159.3-16.700105.4
314D29.7Very low30.8Very low127 Ų127161.9 Ų161.968%0.67981%0.809SS**  trans95135.1163.6-50.4-27.7000119.8
315N32Very low31.1Very low153 Ų153163.6 Ų163.682%0.81881%0.813SS**  trans82.3124.7175-51.7-19.2000114.5
316E32.3Very low31.2Very low185 Ų185159.6 Ų159.686%0.86481%0.807SS**  cis-161.3144.624.2-130.3168.3166.700109.1
317L27.7Very low31.4Very low160 Ų160158.6 Ų158.684%0.83881%0.806SS**  trans-95.2125.8174.1-179.599000106.7
318I33.7Very low31.4Very low137 Ų137158.1 Ų158.170%0.70381%0.806SS**  trans177.5133.1154.4-89.9144.4000109.4
319E34.1Very low31.5Very low168 Ų168159.2 Ų159.279%0.78581%0.805SS**  trans61.4137.7163-75.6163.1166.400117.9
320D33.2Very low31.7Very low116 Ų116157 Ų15762%0.6280%0.798SS**  cis-165.5143.119-127.2-19.6000111.2T322D320-T322 PolarHBondContact O-N 3.25Å
321T30.9Very low32Very low141 Ų141155.9 Ų155.987%0.86580%0.797SS**  trans-92.276.3175.6330000110.7
322T35.3Very low32.4Very low102 Ų102156 Ų15663%0.62680%0.798SS**  trans-152.521.6-176.839.70000116.1D320D320-T322 PolarHBondContact O-N 3.25Å
323N35.1Very low32.5Very low141 Ų141154.3 Ų154.375%0.75479%0.794SS**  trans-122.824.7-173.7-81-41.8000117.1
324L34.3Very low32.8Very low173 Ų173151.4 Ų151.491%0.90679%0.79SS**SBendtrans-97.95.9178.5-123.187.7000115.9
325E35.4Very low32.8Very low188 Ų188152.8 Ų152.888%0.87979%0.792SS**SBendtrans-117.62-171.5-131.3178.4-179.600115.9
326L32.9Very low32.7Very low153 Ų153153.2 Ų153.280%0.80179%0.788SS**SBendtrans-109.39.4-170.6-129.588.9000117.1
327I34Very low32.6Very low163 Ų163150.5 Ų150.584%0.83678%0.784SS**SBendtrans-99.5-0.6-176.7-61.4176.8000113
328C30.7Very low32.6Very low124 Ų124148 Ų14884%0.83878%0.776SS**SBendtrans-104.66.1-174.4-77.80000117.3
329R30.8Very low32.2Very low224 Ų224148 Ų14885%0.84578%0.777SS**  trans-145.3124.2169.6-70.4-176.9176.9172-0.9105.8
330T32.2Very low31.9Very low120 Ų120147 Ų14774%0.73677%0.772SS**  177.8145.658.8-20.20000105.2
331N34.1Very low31.5Very low157 Ų157148.3 Ų148.384%0.8478%0.775SS**  175.998.9126.8-85.5-13.4000111.4
332Q35Very low31.3Very low194 Ų194151 Ų15191%0.90777%0.769SS**  trans-74.5129.7151.6-76.4173-29.600109.2
333I32.1Very low30.8Very low147 Ų147152.9 Ų152.975%0.75478%0.775SS**  trans-37.2161.8157-64.8164.3000112.1
334P34.1Very low30.4Very low106 Ų106151 Ų15169%0.68877%0.773SS**  cis-149.6166.934.11317.5000123
335H29.8Very low30Very low156 Ų156149.7 Ų149.772%0.72277%0.765SS**  trans68.1126.1133.5-72.6-63000125.9
336H27.9Very low29.5Very low162 Ų162149.8 Ų149.875%0.7576%0.763SS**  trans59.6122.8134.1-88.3-69.1000120.6
337V31.2Very low29.4Very low128 Ų128149.6 Ų149.678%0.77677%0.768SS**  171.5145.695.1166.80000109.7
338T26.7Very low29.1Very low109 Ų109151.6 Ų151.667%0.66977%0.771SS**  trans-61.5156.3177.943.80000118.1
339N25.6Very low29Very low136 Ų136150.1 Ų150.173%0.72776%0.762SS**  trans81.7129.7135.5-79.2-6.9000122.8
340H27.7Very low28.9Very low146 Ų146146.2 Ų146.268%0.67676%0.758SS**  trans76.9108140.3-87.6-80.3000121.1
341Q26.3Very low28.8Very low145 Ų145145.6 Ų145.668%0.67876%0.758SS**  72.2123.7121.2-108.5175.3-20.100120.7
342R25.2Very low28.6Very low198 Ų198144.2 Ų144.275%0.74776%0.756SS**  104.2103.9128.2-156.2-177.9-85171.3-5.2116.5
343N25.4Very low28.2Very low141 Ų141142.2 Ų142.275%0.75475%0.751SS**  trans56.3124.5135.8-62.2-6.3000121.4
344S25.9Very low28.2Very low100 Ų100143.5 Ų143.570%0.69975%0.754SS**  103.2125.8123.976.70000118.7
345I27.3Very low27.9Very low147 Ų147149.3 Ų149.375%0.75476%0.764SS**  trans80.191.6147-59.8154.1000114.2
346K24.8Very low27.9Very low189 Ų189149.5 Ų149.582%0.82277%0.769SS**  62.1106.397.2-77.5-175.4177.2178.30113.5
347T30Very low28Very low150 Ų150146.8 Ų146.892%0.9276%0.764SS**  -167.8137.1118.923.40000112
348K28.1Very low28Very low205 Ų205148.2 Ų148.289%0.89176%0.762SS**  trans-55.3163.4172.4-70168.2160.2178.80111.4
349S27.8Very low28Very low92 Ų92149.2 Ų149.264%0.64377%0.772SS**  cis-168.8148.433.963.20000107.8
350N30.1Very low28.3Very low142 Ų142151 Ų15176%0.75978%0.781SS**  172.6145.776.9-98.3-27.7000109.5
351S29.1Very low28.5Very low107 Ų107151 Ų15175%0.74878%0.781SS**  trans39.8111.8150.365.30000117.4
352V29.9Very low28.6Very low129 Ų129150.8 Ų150.878%0.78279%0.785SS**  -162.6105.555.2169.80000105.5
353N27.6Very low28.8Very low152 Ų152149 Ų14981%0.81379%0.79SS**  trans-139.363.2178.4-104.5-7.9000108.7
354E31.2Very low28.9Very low173 Ų173149.5 Ų149.581%0.80879%0.792SS**SBendtrans-134.550.7-176.9-163.6171.5-157.100109.7
355Y29.1Very low28.9Very low229 Ų229151 Ų15190%0.89880%0.797SS**SBendtrans-160.98.1163.6-98.3-70.5000113.2
356L29.6Very low29Very low159 Ų159152.3 Ų152.383%0.83280%0.804SS**SBendtrans-120.629.3-176.8-131.3101.8000113.5
357T29.8Very low29.1Very low105 Ų105151.9 Ų151.964%0.64481%0.805SS**SBendtrans-140.646.5177.6-29.10000110.6
358E30.3Very low29.1Very low158 Ų158150.5 Ų150.574%0.73880%0.796SS**SBendtrans-146.215.8174.1-138.6170.5-166.300114.5
359C28Very low29Very low130 Ų130147 Ų14788%0.87879%0.788SS**SBendtrans-128.49.2172.2-77.20000114.2
360L31.9Very low29.4Very low173 Ų173152.2 Ų152.291%0.90680%0.801SS**SBendtrans-12417.8177.9-78.7169.9000113.9
361Q30.9Very low29.3Very low148 Ų148152 Ų15269%0.69280%0.801SS**SBendtrans-136.912.2179.4-92.8-178.2-35.800116.2
362N29Very low29.4Very low140 Ų140153.9 Ų153.975%0.74980%0.802SS**SBendtrans-106.551179.6-81.3-11.9000114.4
363N29.3Very low29.6Very low161 Ų161155 Ų15586%0.86180%0.802SS**SBendtrans-149.47.9157.2-102.6-13.2000115.7
364D26.8Very low29.9Very low150 Ų150154.7 Ų154.780%0.80280%0.801SS**SBendtrans-118.876174.1-71.8-37.6000109.7
365T27.3Very low29.8Very low131 Ų131153.9 Ų153.980%0.80480%0.802SS**  trans168.485.4156.6290000112
366I28.2Very low29.8Very low175 Ų175154 Ų15490%0.89780%0.8SS**  trans-136.572.9145.6-54.6-177.8000107
367E27.1Very low30Very low181 Ų181153.6 Ų153.685%0.84680%0.799SS**  trans-89.6150.4150.7-91.4-171.8154.500108.1
368V29.5Very low30Very low120 Ų120156.7 Ų156.773%0.72781%0.81SS**  trans100.1117.6165.1-168.70000116.2
369N27.1Very low30.1Very low133 Ų133153.6 Ų153.671%0.71181%0.806SS**  trans84.684.3161.3-71.7-16.6000119.2
370Q35.6Very low30.1Very low200 Ų200154.4 Ų154.494%0.93580%0.802SS**  -153.4102.9117.1-107.6158.44.100111
371N28.3Very low30Very low139 Ų139153.6 Ų153.674%0.74380%0.798SS**  trans-58.2154.5165.8-82.2-33.8000111.2
372N30.1Very low30Very low146 Ų146156.9 Ų156.978%0.78181%0.81SS**  trans79.499.6167.5-58.3-23.9000115.2
373I34.4Very low29.9Very low152 Ų152154.2 Ų154.278%0.77980%0.802SS**  -178.1108.1104.4-85.6151.5000108.3
374N33.7Very low29.9Very low146 Ų146153.9 Ų153.978%0.78180%0.801SS**  trans67.292.7146.3-58.4-15.5000120R376N374-R376 PolarHBondContact O-N 3.46Å
375N28.9Very low29.9Very low156 Ų156152.1 Ų152.183%0.83480%0.8SS**  trans-32.8116.6136-80-26.5000112.4
376R30.2Very low30Very low230 Ų230154.5 Ų154.587%0.86880%0.799SS**  trans-177.3140.5133.7-98.2164-156-179.26.5108.8N374N374-R376 PolarHBondContact O-N 3.46Å
377N33.4Very low29.8Very low151 Ų151152.4 Ų152.481%0.80779%0.79SS**  trans95.256.6173.8-48-15.2000115.6S379N377-S379 PolarHBondContact O-N 2.99Å
378I31Very low29.8Very low171 Ų171151.3 Ų151.388%0.87779%0.79SS**  trans-78.694.1147.9-63.6170000106.6
379S30.4Very low29.7Very low92 Ų92153.9 Ų153.964%0.64379%0.794SS**SBendtrans169.5131153.830.50000108.4N377N377-S379 PolarHBondContact O-N 2.99Å
380N29.7Very low29.6Very low148 Ų148152.2 Ų152.279%0.79179%0.793SS**  trans85.682176.6-49.3-24000115.5
381D30.2Very low29.3Very low156 Ų156151.7 Ų151.783%0.83479%0.79SS**  trans-163.972.7140.6-95.1-25.2000109.6
382K30Very low29.2Very low216 Ų216153.9 Ų153.994%0.93980%0.796SS**  trans-113.363.7161.3-89.4-173.5176.8177.40108
383S27.2Very low29.8Very low84 Ų84152.9 Ų152.959%0.58779%0.787SS**  trans-164.680.6171.253.60000108.9
384N28.1Very low30.5Very low155 Ų155152.3 Ų152.383%0.82978%0.784SS**  trans175.963.7154.6-87.7-24.1000110.3
385S28.1Very low31.8Very low112 Ų112148 Ų14878%0.78377%0.773SS**  trans-11581149.8-172.10000105.4N387S385-N387 PolarHBondContact O-N 3.14Å
386K28.4Very low33.8Very low182 Ų182142.8 Ų142.879%0.79175%0.745SS**  trans-72118167.6-88.9-178.8175.21770105.8D388K386-D388 PolarHBondContact O-N 3.34Å; K386-D388 VanDerWaalsContact O-N 3.08Å
387N25.6Very low36.3Very low130 Ų130134.7 Ų134.770%0.69572%0.724SS**  trans-48.6109.6175.5-64-27.5000110.8S385 E389S385-N387 PolarHBondContact O-N 3.14Å; N387-E389 HydrophobicContact CB-CG 4.28Å; N387-E389 PolarHBondContact O-N 3.44Å
388D26.2Very low38.9Very low158 Ų158130.4 Ų130.485%0.84570%0.701SS**  trans-70.370.8156.7-75.1-36.3000108.3K386 S390K386-D388 PolarHBondContact O-N 3.34Å; K386-D388 VanDerWaalsContact O-N 3.08Å; D388-S390 PolarHBondContact O-N 3.5Å
389E26.8Very low41.6Very low174 Ų174125.9 Ų125.981%0.81368%0.681SS**  trans-77.759160.7-80-175.7171.900108.9N387 Q391N387-E389 HydrophobicContact CB-CG 4.28Å; N387-E389 PolarHBondContact O-N 3.44Å; E389-Q391 PolarHBondContact O-N 3.48Å
390S25.6Very low44.2Very low99 Ų99123.7 Ų123.769%0.69266%0.662SS**  trans-75.5101.5163.357.50000107.7D388 Q392D388-S390 PolarHBondContact O-N 3.5Å; S390-Q392 PolarHBondContact O-N 3.46Å
391Q29.6Very low46.9Very low188 Ų188116.7 Ų116.788%0.87962%0.624SS**  trans-0.279.9161.7-65178.5-60.100114.9E389 E393E389-Q391 PolarHBondContact O-N 3.48Å; Q391-E393 VanDerWaalsContact C-N 3.32Å; Q391-E393 PolarHBondContact O-N 3.24Å
392Q26.8Very low49.7Very low185 Ų185112.2 Ų112.286%0.86460%0.596SS**  trans-73.397.2163-155.816921.700105S390 I394S390-Q392 PolarHBondContact O-N 3.46Å; Q392-I394 VanDerWaalsContact C-N 3.34Å; Q392-I394 PolarHBondContact O-N 2.83Å
393E42.3Very low52.5Low125 Ų125108.1 Ų108.158%0.58458%0.575SS**  trans-53.799.2174-79.4-167.614600108.4Q391 G395Q391-E393 VanDerWaalsContact C-N 3.32Å; Q391-E393 PolarHBondContact O-N 3.24Å; E393-G395 PolarHBondContact O-N 3.48Å
394I49.1Very low55.3Low141 Ų141104.9 Ų104.972%0.72355%0.551SS**  trans-61.3110.5168.9-61.8166.8000104.9Q392 L396Q392-I394 VanDerWaalsContact C-N 3.34Å; Q392-I394 PolarHBondContact O-N 2.83Å; I394-L396 VanDerWaalsContact O-CD1 3.29Å; I394-L396 WeakPolarHBondContact O-CD1 3.31Å; I394-L396 PolarHBondContact O-N 3.37Å
395G59.9Low58.1Low54 Ų5498.1 Ų98.156%0.55751%0.514SS*.  trans-53.6103.4172.600000108.6E393 S397E393-G395 PolarHBondContact O-N 3.48Å; G395-S397 PolarHBondContact O-N 3.12Å
396L72Confident60.8Low47 Ų4798.4 Ų98.425%0.24650%0.502CS..  trans-66.7128.6-174.4-75.995.9000108.9I394 D400 I404 V585I394-L396 VanDerWaalsContact O-CD1 3.29Å; I394-L396 WeakPolarHBondContact O-CD1 3.31Å; I394-L396 PolarHBondContact O-N 3.37Å; L396-D400 HydrophobicContact CB-CB 4.47Å; L396-I404 HydrophobicContact CD2-CD1 3.1Å; L396-I404 HydrophobicContact CD2-CG1 4.5Å; L396-V585 HydrophobicContact CD2-CG1 4.21Å
397S82.6Confident63.6Low60 Ų6090.1 Ų90.142%0.4247%0.468SS..  trans-61.3154.5169.7-177.50000110.2G395 V399 D400 T401G395-S397 PolarHBondContact O-N 3.12Å; S397-V399 PolarHBondContact O-N 3.44Å; S397-D400 VanDerWaalsContact CB-OD2 3.28Å; S397-D400 WeakPolarHBondContact CB-OD2 3.2Å; S397-D400 PolarHBondContact N-OD2 2.92Å; S397-D400 WeakPolarHBondContact O-CA 3.39Å; S397-D400 WeakPolarHBondContact O-CB 3.41Å; S397-D400 PolarHBondContact O-N 3.34Å; S397-T401 PolarHBondContact O-N 3.48Å; S397-T401 PolarHBondContact O-OG1 3.41Å; S397-T401 VanDerWaalsContact O-OG1 3.14Å
398L87.2Confident66.6Low61 Ų6184 Ų8432%0.31944%0.435SS..Hα-helixtrans-51.5-44.4172.5177.965.4000111.1P51 I52 S55 D400 T401 Y402P51-L398 HydrophobicContact CB-CD1 4.49Å; I52-L398 HydrophobicContact CB-CD1 4.32Å; I52-L398 HydrophobicContact CG1-CD1 3.81Å; S55-L398 WeakPolarHBondContact OG-CD1 3.46Å; L398-D400 VanDerWaalsContact C-N 3.31Å; L398-D400 PolarHBondContact O-N 3.18Å; L398-T401 PolarHBondContact O-N 3.37Å; L398-Y402 HydrophobicContact CD1-CD2 3.99Å; L398-Y402 HydrophobicContact CD1-CE2 3.6Å; L398-Y402 HydrophobicContact CD2-CE2 4.47Å; L398-Y402 HydrophobicContact CG-CD2 4.02Å; L398-Y402 HydrophobicContact CG-CE2 3.89Å; L398-Y402 VanDerWaalsContact O-CD2 3.3Å; L398-Y402 WeakPolarHBondContact O-CD2 3.36Å; L398-Y402 PolarHBondContact O-N 2.97Å
399V87.3Confident69.4Low76 Ų7678.7 Ų78.746%0.46141%0.406SS..Hα-helixtrans-63.2-39.4178.8179.10000111.1S397 T401 Y402 R403S397-V399 PolarHBondContact O-N 3.44Å; V399-T401 VanDerWaalsContact C-N 3.35Å; V399-Y402 PolarHBondContact O-N 3.36Å; V399-R403 HydrophobicContact CG1-CG 4.46Å; V399-R403 WeakPolarHBondContact O-CB 3.31Å; V399-R403 VanDerWaalsContact O-CG 3.24Å; V399-R403 WeakPolarHBondContact O-CG 3.34Å; V399-R403 PolarHBondContact O-N 2.98Å
400D86.7Confident72.2Confident46 Ų4680.4 Ų80.425%0.24641%0.405CS..Hα-helixtrans-66.6-39178.1-67.2-30.1000111.2L396 S397 L398 R403 I404 L738L396-D400 HydrophobicContact CB-CB 4.47Å; S397-D400 VanDerWaalsContact CB-OD2 3.28Å; S397-D400 WeakPolarHBondContact CB-OD2 3.2Å; S397-D400 PolarHBondContact N-OD2 2.92Å; S397-D400 WeakPolarHBondContact O-CA 3.39Å; S397-D400 WeakPolarHBondContact O-CB 3.41Å; S397-D400 PolarHBondContact O-N 3.34Å; L398-D400 VanDerWaalsContact C-N 3.31Å; L398-D400 PolarHBondContact O-N 3.18Å; D400-R403 WeakPolarHBondContact O-CB 3.04Å; D400-R403 PolarHBondContact O-N 3.17Å; D400-R403 IonicContact OD1-NH1 2.73Å; D400-I404 WeakPolarHBondContact O-CG1 3.36Å; D400-I404 PolarHBondContact O-N 2.86Å; D400-L738 HydrophobicContact CB-CD1 3.61Å
401T85.5Confident75.2Confident1 Ų177.3 Ų77.31%0.00638%0.381CS..Hα-helixtrans-65.3-44.1176.5-530000111.6P51 D54 S397 L398 V399 R403 I404 M405 V585P51-T401 HydrophobicContact CB-CG2 3.83Å; D54-T401 HydrophobicContact CB-CG2 4.03Å; S397-T401 PolarHBondContact O-N 3.48Å; S397-T401 PolarHBondContact O-OG1 3.41Å; S397-T401 VanDerWaalsContact O-OG1 3.14Å; L398-T401 PolarHBondContact O-N 3.37Å; V399-T401 VanDerWaalsContact C-N 3.35Å; T401-R403 PolarHBondContact O-N 2.87Å; T401-I404 PolarHBondContact O-N 3.35Å; T401-M405 PolarHBondContact O-N 3.47Å; T401-V585 HydrophobicContact CG2-CG1 3.94Å
402Y88.5Confident78.1Confident62 Ų6275.3 Ų75.324%0.24337%0.369CS..Hα-helixtrans-61.6-42.5171.5-84.4-76.6000111.8A48 P51 L398 V399 I404 M405 F406A48-Y402 PolarHBondContact O-OH 3.02Å; P51-Y402 HydrophobicContact CB-CD1 4.06Å; P51-Y402 HydrophobicContact CB-CD2 3.83Å; P51-Y402 HydrophobicContact CB-CE1 3.93Å; P51-Y402 HydrophobicContact CB-CE2 3.72Å; P51-Y402 HydrophobicContact CB-CG 3.99Å; P51-Y402 HydrophobicContact CG-CD1 3.75Å; P51-Y402 HydrophobicContact CG-CD2 4.44Å; P51-Y402 HydrophobicContact CG-CE1 3.57Å; P51-Y402 HydrophobicContact CG-CE2 4.3Å; P51-Y402 HydrophobicContact CG-CG 4.17Å; L398-Y402 HydrophobicContact CD1-CD2 3.99Å; L398-Y402 HydrophobicContact CD1-CE2 3.6Å; L398-Y402 HydrophobicContact CD2-CE2 4.47Å; L398-Y402 HydrophobicContact CG-CD2 4.02Å; L398-Y402 HydrophobicContact CG-CE2 3.89Å; L398-Y402 VanDerWaalsContact O-CD2 3.3Å; L398-Y402 WeakPolarHBondContact O-CD2 3.36Å; L398-Y402 PolarHBondContact O-N 2.97Å; V399-Y402 PolarHBondContact O-N 3.36Å; Y402-I404 VanDerWaalsContact C-N 3.32Å; Y402-I404 PolarHBondContact O-N 3.4Å; Y402-M405 HydrophobicContact CD1-CE 3.73Å; Y402-M405 HydrophobicContact CE1-CE 4.16Å; Y402-M405 WeakPolarHBondContact O-CB 3.46Å; Y402-M405 PolarHBondContact O-N 3.36Å; Y402-F406 HydrophobicContact CD1-CE2 4.31Å; Y402-F406 WeakPolarHBondContact O-CD2 3.12Å; Y402-F406 PolarHBondContact O-N 3.07Å
403R88.8Confident81.2Confident131 Ų13167.3 Ų67.349%0.49433%0.333SS..Hα-helixtrans-61.3-40.4176.9-76.8172.3179.9-179.1-0.2111.9V399 D400 T401 G407 L738V399-R403 HydrophobicContact CG1-CG 4.46Å; V399-R403 WeakPolarHBondContact O-CB 3.31Å; V399-R403 VanDerWaalsContact O-CG 3.24Å; V399-R403 WeakPolarHBondContact O-CG 3.34Å; V399-R403 PolarHBondContact O-N 2.98Å; D400-R403 WeakPolarHBondContact O-CB 3.04Å; D400-R403 PolarHBondContact O-N 3.17Å; D400-R403 IonicContact OD1-NH1 2.73Å; T401-R403 PolarHBondContact O-N 2.87Å; R403-G407 PolarHBondContact O-N 3Å; R403-L738 HydrophobicContact CB-CD2 3.94Å
404I85.7Confident83.3Confident15 Ų1561.5 Ų61.58%0.07731%0.306CS..Hα-helixtrans-63-48.3173.7-70.1168000110.3L396 D400 T401 Y402 F406 G407 V408 V585 F736 L738L396-I404 HydrophobicContact CD2-CD1 3.1Å; L396-I404 HydrophobicContact CD2-CG1 4.5Å; D400-I404 WeakPolarHBondContact O-CG1 3.36Å; D400-I404 PolarHBondContact O-N 2.86Å; T401-I404 PolarHBondContact O-N 3.35Å; Y402-I404 VanDerWaalsContact C-N 3.32Å; Y402-I404 PolarHBondContact O-N 3.4Å; I404-F406 PolarHBondContact O-N 2.86Å; I404-G407 CarbonylContact O-C 3.57Å; I404-G407 WeakPolarHBondContact O-CA 3.24Å; I404-G407 PolarHBondContact O-N 3.22Å; I404-V408 HydrophobicContact CG2-CG2 4.17Å; I404-V408 WeakPolarHBondContact O-CG2 3.45Å; I404-V408 PolarHBondContact O-N 3.06Å; I404-V585 HydrophobicContact CD1-CG1 4.21Å; I404-V585 HydrophobicContact CG2-CG2 3.89Å; I404-F736 HydrophobicContact CG1-CD1 4.3Å; I404-L738 HydrophobicContact CD1-CD1 3.78Å; I404-L738 HydrophobicContact CG1-CD1 3.72Å; I404-L738 HydrophobicContact CG1-CG 4.02Å
405M86.6Confident85.1Confident13 Ų1360.1 Ų60.16%0.06429%0.292CS..Hα-helixtrans-55.1-49.4177.3-175-174.174.100111.6L47 P51 T401 Y402 G407 V408 I409 T588 L592L47-M405 HydrophobicContact CD1-CG 4.38Å; L47-M405 HydrophobicContact CD1-SD 3.49Å; L47-M405 WeakPolarHBondContact CD1-SD 3.15Å; L47-M405 HydrophobicContact CG-SD 4.02Å; P51-M405 HydrophobicContact CG-CE 4.28Å; P51-M405 HydrophobicContact CG-SD 3.7Å; T401-M405 PolarHBondContact O-N 3.47Å; Y402-M405 HydrophobicContact CD1-CE 3.73Å; Y402-M405 HydrophobicContact CE1-CE 4.16Å; Y402-M405 WeakPolarHBondContact O-CB 3.46Å; Y402-M405 PolarHBondContact O-N 3.36Å; M405-G407 VanDerWaalsContact C-N 3.33Å; M405-G407 PolarHBondContact O-N 3.44Å; M405-V408 PolarHBondContact O-N 3.43Å; M405-I409 WeakPolarHBondContact O-CG1 3.21Å; M405-I409 PolarHBondContact O-N 3.35Å; M405-I409 VanDerWaalsContact O-N 3.09Å; M405-T588 HydrophobicContact CB-CG2 3.89Å; M405-T588 HydrophobicContact CG-CG2 3.83Å; M405-T588 HydrophobicContact SD-CG2 3.8Å; M405-L592 HydrophobicContact CG-CD1 4.18Å; M405-L592 HydrophobicContact CG-CD2 4.15Å
406F86.6Confident86.5Confident119 Ų11958.8 Ų58.852%0.52227%0.271SS..Hα-helixtrans-65.4-34.3175.9-77-65.2000113Y402 I404 I409 R410Y402-F406 HydrophobicContact CD1-CE2 4.31Å; Y402-F406 WeakPolarHBondContact O-CD2 3.12Å; Y402-F406 PolarHBondContact O-N 3.07Å; I404-F406 PolarHBondContact O-N 2.86Å; F406-I409 HydrophobicContact CD1-CD1 4.47Å; F406-R410 WeakPolarHBondContact O-CG 3.49Å; F406-R410 PolarHBondContact O-N 3.39Å
407G87.3Confident87.3Confident7 Ų756.7 Ų56.77%0.07226%0.26CS..Hα-helixtrans-63.8-45.517400000112.3R403 I404 M405 I409 R410 L411R403-G407 PolarHBondContact O-N 3Å; I404-G407 CarbonylContact O-C 3.57Å; I404-G407 WeakPolarHBondContact O-CA 3.24Å; I404-G407 PolarHBondContact O-N 3.22Å; M405-G407 VanDerWaalsContact C-N 3.33Å; M405-G407 PolarHBondContact O-N 3.44Å; G407-I409 PolarHBondContact O-N 3.05Å; G407-R410 PolarHBondContact O-N 2.87Å; G407-R410 VanDerWaalsContact O-N 3.08Å; G407-L411 PolarHBondContact O-N 3.01Å
408V86.7Confident87.4Confident1 Ų154.4 Ų54.41%0.00624%0.243CC..Hα-helixtrans-61.4-43.8176.61720000111.1I404 M405 R410 L411 V414 Y589 L592 F736I404-V408 HydrophobicContact CG2-CG2 4.17Å; I404-V408 WeakPolarHBondContact O-CG2 3.45Å; I404-V408 PolarHBondContact O-N 3.06Å; M405-V408 PolarHBondContact O-N 3.43Å; V408-R410 PolarHBondContact O-N 3.31Å; V408-L411 VanDerWaalsContact O-CB 3.32Å; V408-L411 WeakPolarHBondContact O-CB 3.45Å; V408-L411 PolarHBondContact O-N 3.11Å; V408-V414 HydrophobicContact CG1-CG2 4.09Å; V408-V414 WeakPolarHBondContact O-CG2 3.43Å; V408-Y589 HydrophobicContact CB-CE2 4.38Å; V408-Y589 HydrophobicContact CG1-CE1 3.93Å; V408-Y589 HydrophobicContact CG1-CE2 3.8Å; V408-Y589 VanDerWaalsContact CG1-CZ 3.45Å; V408-Y589 WeakPolarHBondContact CG1-OH 3.1Å; V408-Y589 HydrophobicContact CG2-CD2 4.16Å; V408-Y589 HydrophobicContact CG2-CE2 3.6Å; V408-L592 HydrophobicContact CB-CD2 3.97Å; V408-L592 HydrophobicContact CG1-CD2 3.62Å; V408-F736 HydrophobicContact CG2-CB 3.9Å
409I85Confident87.5Confident47 Ų4755.1 Ų55.124%0.24125%0.247CC..Hα-helixtrans-57.4-32.7175.4-67.8169.1000111.4M405 F406 G407 L411 W415 L592M405-I409 WeakPolarHBondContact O-CG1 3.21Å; M405-I409 PolarHBondContact O-N 3.35Å; M405-I409 VanDerWaalsContact O-N 3.09Å; F406-I409 HydrophobicContact CD1-CD1 4.47Å; G407-I409 PolarHBondContact O-N 3.05Å; I409-L411 VanDerWaalsContact C-N 3.31Å; I409-L411 PolarHBondContact O-N 2.93Å; I409-W415 PolarHBondContact O-NE1 3.44Å; I409-L592 HydrophobicContact CD1-CD1 3.6Å; I409-L592 HydrophobicContact CG1-CD1 3.55Å; I409-L592 HydrophobicContact CG1-CD2 3.85Å; I409-L592 HydrophobicContact CG1-CG 4.24Å
410R86.7Confident87.6Confident210 Ų21051.5 Ų51.579%0.79223%0.225SC*.THydrogen-bonded Turntrans-82.1-5.5-179.8-70.6-179.2178-176.70.3114F406 G407 V408 K412F406-R410 WeakPolarHBondContact O-CG 3.49Å; F406-R410 PolarHBondContact O-N 3.39Å; G407-R410 PolarHBondContact O-N 2.87Å; G407-R410 VanDerWaalsContact O-N 3.08Å; V408-R410 PolarHBondContact O-N 3.31Å; R410-K412 PolarHBondContact O-N 3.38Å
411L88.4Confident87.6Confident34 Ų3449.5 Ų49.518%0.17821%0.214CC..  trans-69.5130.2-179.8-67.1176.6000111G407 V408 I409 P413 V414 W415 Y734 F736G407-L411 PolarHBondContact O-N 3.01Å; V408-L411 VanDerWaalsContact O-CB 3.32Å; V408-L411 WeakPolarHBondContact O-CB 3.45Å; V408-L411 PolarHBondContact O-N 3.11Å; I409-L411 VanDerWaalsContact C-N 3.31Å; I409-L411 PolarHBondContact O-N 2.93Å; L411-P413 VanDerWaalsContact C-CD 3.5Å; L411-P413 VanDerWaalsContact C-N 3.34Å; L411-V414 HydrophobicContact CB-CB 4.37Å; L411-V414 HydrophobicContact CB-CG2 3.99Å; L411-V414 PolarHBondContact O-N 3.5Å; L411-W415 PolarHBondContact O-N 2.9Å; L411-Y734 WeakPolarHBondContact CD1-O 3.38Å; L411-F736 HydrophobicContact CD1-CB 4.43Å
412K90.7Very high87.5Confident147 Ų14750.6 Ų50.664%0.63922%0.221SC*.Hα-helixtrans-54.9-41.6178.7-151.1177-174.7172.70112.3R410 V414 W415 Q416R410-K412 PolarHBondContact O-N 3.38Å; K412-V414 VanDerWaalsContact C-N 3.35Å; K412-V414 PolarHBondContact O-N 2.97Å; K412-W415 PolarHBondContact O-N 3.41Å; K412-Q416 WeakPolarHBondContact O-CB 3.32Å; K412-Q416 WeakPolarHBondContact O-CG 3.28Å; K412-Q416 PolarHBondContact O-N 3.33Å
413P90.9Very high87.5Confident17 Ų1748.7 Ų48.711%0.1122%0.215CC..Hα-helixtrans-62.7-34.5175-25.937.2000114.4L411 Q416 F417 L726 L729 A733 Y734L411-P413 VanDerWaalsContact C-CD 3.5Å; L411-P413 VanDerWaalsContact C-N 3.34Å; P413-Q416 PolarHBondContact O-N 3.44Å; P413-F417 WeakPolarHBondContact O-CB 3.48Å; P413-F417 PolarHBondContact O-N 3.48Å; P413-L726 HydrophobicContact CB-CD2 4.24Å; P413-L726 WeakPolarHBondContact O-CD2 3.15Å; P413-L729 HydrophobicContact CB-CD1 3.91Å; P413-L729 HydrophobicContact CG-CD1 3.87Å; P413-A733 HydrophobicContact CG-CB 4.45Å; P413-Y734 HydrophobicContact CB-CD1 3.8Å; P413-Y734 HydrophobicContact CB-CE1 3.38Å
414V87Confident87.5Confident3 Ų342.7 Ų42.72%0.01819%0.193CC..Hα-helixtrans-69-43.5178.3176.20000110.6V408 L411 K412 Q416 F417 L418 Y734V408-V414 HydrophobicContact CG1-CG2 4.09Å; V408-V414 WeakPolarHBondContact O-CG2 3.43Å; L411-V414 HydrophobicContact CB-CB 4.37Å; L411-V414 HydrophobicContact CB-CG2 3.99Å; L411-V414 PolarHBondContact O-N 3.5Å; K412-V414 VanDerWaalsContact C-N 3.35Å; K412-V414 PolarHBondContact O-N 2.97Å; V414-Q416 VanDerWaalsContact C-N 3.32Å; V414-Q416 PolarHBondContact O-N 2.96Å; V414-F417 PolarHBondContact O-N 3.09Å; V414-L418 WeakPolarHBondContact O-CB 3.24Å; V414-L418 PolarHBondContact O-N 2.48Å; V414-Y734 HydrophobicContact CG2-CD1 4.43Å
415W87Confident87.5Confident112 Ų11245 Ų4542%0.42420%0.203SC..Hα-helixtrans-62.7-37.9172.2-83.296.8000113.2I409 L411 K412 L418 I419 L603I409-W415 PolarHBondContact O-NE1 3.44Å; L411-W415 PolarHBondContact O-N 2.9Å; K412-W415 PolarHBondContact O-N 3.41Å; W415-L418 HydrophobicContact CD2-CD1 4.28Å; W415-L418 HydrophobicContact CE3-CD1 4.01Å; W415-L418 HydrophobicContact CZ3-CD1 4.28Å; W415-L418 VanDerWaalsContact O-CB 3.29Å; W415-L418 WeakPolarHBondContact O-CB 3.41Å; W415-L418 PolarHBondContact O-N 3.29Å; W415-I419 WeakPolarHBondContact O-CD1 3.33Å; W415-I419 VanDerWaalsContact O-CG1 3.23Å; W415-I419 WeakPolarHBondContact O-CG1 3.38Å; W415-I419 PolarHBondContact O-N 2.87Å; W415-L603 HydrophobicContact CH2-CD2 4.03Å; W415-L603 HydrophobicContact CZ3-CD2 4.24Å
416Q90.5Very high87.3Confident26 Ų2646.8 Ų46.812%0.12121%0.214CC..Hα-helixtrans-64.8-45.6175.2-76.8172.316.900111.6K412 P413 V414 L418 I419 L420 M722 R725 L726K412-Q416 WeakPolarHBondContact O-CB 3.32Å; K412-Q416 WeakPolarHBondContact O-CG 3.28Å; K412-Q416 PolarHBondContact O-N 3.33Å; P413-Q416 PolarHBondContact O-N 3.44Å; V414-Q416 VanDerWaalsContact C-N 3.32Å; V414-Q416 PolarHBondContact O-N 2.96Å; Q416-L418 VanDerWaalsContact C-N 3.29Å; Q416-L418 PolarHBondContact O-N 2.96Å; Q416-I419 PolarHBondContact O-N 3.34Å; Q416-L420 PolarHBondContact O-N 3.39Å; Q416-M722 HydrophobicContact CB-CE 3.58Å; Q416-M722 HydrophobicContact CG-CE 3.88Å; Q416-M722 WeakPolarHBondContact O-CE 3.42Å; Q416-R725 VanDerWaalsContact OE1-CZ 3.24Å; Q416-L726 HydrophobicContact CB-CD1 4.34Å; Q416-L726 HydrophobicContact CB-CD2 3.82Å; Q416-L726 HydrophobicContact CB-CG 4.45Å
417F88.3Confident87.3Confident2 Ų241.1 Ų41.11%0.00919%0.19CC..Hα-helixtrans-61.5-39.3175175.9-117.5000112.1P413 V414 L420 L421 L477 Q573 F576 H577 L726P413-F417 WeakPolarHBondContact O-CB 3.48Å; P413-F417 PolarHBondContact O-N 3.48Å; V414-F417 PolarHBondContact O-N 3.09Å; F417-L420 HydrophobicContact CD2-CD2 4.35Å; F417-L420 WeakPolarHBondContact O-CB 2.97Å; F417-L420 PolarHBondContact O-N 2.88Å; F417-L421 HydrophobicContact CD1-CD1 4.09Å; F417-L421 HydrophobicContact CD2-CD1 4.43Å; F417-L421 HydrophobicContact CD2-CG 4.33Å; F417-L421 HydrophobicContact CE1-CD1 3.47Å; F417-L421 VanDerWaalsContact CE1-CD1 3.47Å; F417-L421 HydrophobicContact CE1-CG 4.36Å; F417-L421 HydrophobicContact CE2-CD1 3.84Å; F417-L421 HydrophobicContact CE2-CD2 4.1Å; F417-L421 HydrophobicContact CE2-CG 3.87Å; F417-L421 HydrophobicContact CZ-CD1 3.34Å; F417-L421 HydrophobicContact CZ-CD2 4.21Å; F417-L421 HydrophobicContact CZ-CG 3.91Å; F417-L421 WeakPolarHBondContact O-CG 3.2Å; F417-L421 PolarHBondContact O-N 2.75Å; F417-L477 HydrophobicContact CD2-CD1 4.42Å; F417-L477 HydrophobicContact CD2-CD2 4.09Å; F417-L477 HydrophobicContact CE2-CD2 3.64Å; F417-Q573 HydrophobicContact CZ-CG 4.24Å; F417-F576 HydrophobicContact CD1-CE1 4.27Å; F417-F576 HydrophobicContact CD2-CD1 4.04Å; F417-F576 AromaticContact CD2-CE1 3.63Å; F417-F576 HydrophobicContact CD2-CE1 3.63Å; F417-F576 HydrophobicContact CE1-CD1 4.28Å; F417-F576 HydrophobicContact CE1-CE1 4.32Å; F417-F576 AromaticContact CE2-CD1 3.61Å; F417-F576 HydrophobicContact CE2-CD1 3.61Å; F417-F576 AromaticContact CE2-CE1 3.72Å; F417-F576 HydrophobicContact CE2-CE1 3.72Å; F417-F576 AromaticContact CG-CE1 3.92Å; F417-F576 HydrophobicContact CG-CE1 3.92Å; F417-F576 AromaticContact CZ-CD1 3.72Å; F417-F576 HydrophobicContact CZ-CD1 3.72Å; F417-F576 HydrophobicContact CZ-CE1 4.05Å; F417-H577 AromaticContact CE1-CD2 3.8Å; F417-H577 AromaticContact CE1-NE2 3.35Å; F417-H577 WeakPolarHBondContact CE1-NE2 3.2Å; F417-H577 AromaticContact CZ-CD2 3.8Å; F417-H577 AromaticContact CZ-NE2 3.42Å; F417-H577 WeakPolarHBondContact CZ-NE2 3.24Å; F417-L726 HydrophobicContact CB-CD1 3.98Å; F417-L726 HydrophobicContact CD2-CD1 4.46Å
418L85Confident87.4Confident13 Ų1340.9 Ų40.97%0.06819%0.187CC..Hα-helixtrans-56.3-54.8172.4-95.8176.7000112.7V414 W415 Q416 L420 L421 T422 V596V414-L418 WeakPolarHBondContact O-CB 3.24Å; V414-L418 PolarHBondContact O-N 2.48Å; W415-L418 HydrophobicContact CD2-CD1 4.28Å; W415-L418 HydrophobicContact CE3-CD1 4.01Å; W415-L418 HydrophobicContact CZ3-CD1 4.28Å; W415-L418 VanDerWaalsContact O-CB 3.29Å; W415-L418 WeakPolarHBondContact O-CB 3.41Å; W415-L418 PolarHBondContact O-N 3.29Å; Q416-L418 VanDerWaalsContact C-N 3.29Å; Q416-L418 PolarHBondContact O-N 2.96Å; L418-L420 VanDerWaalsContact C-N 3.27Å; L418-L420 PolarHBondContact O-N 3.46Å; L418-L421 PolarHBondContact O-N 3.01Å; L418-L421 VanDerWaalsContact O-N 3.13Å; L418-T422 PolarHBondContact O-N 3.5Å; L418-T422 PolarHBondContact O-OG1 2.95Å; L418-V596 HydrophobicContact CD1-CG1 3.44Å; L418-V596 VanDerWaalsContact CD1-CG1 3.44Å; L418-V596 HydrophobicContact CD2-CB 4.31Å; L418-V596 HydrophobicContact CD2-CG1 3.13Å; L418-V596 WeakPolarHBondContact CD2-O 3.33Å; L418-V596 HydrophobicContact CG-CG1 3.22Å
419I87.7Confident87.1Confident76 Ų7641.2 Ų41.239%0.3919%0.189SC..Hα-helixtrans-60.1-42.2-179-63.5160.5000109.9W415 Q416 L421 T422 T423 F718 M722W415-I419 WeakPolarHBondContact O-CD1 3.33Å; W415-I419 VanDerWaalsContact O-CG1 3.23Å; W415-I419 WeakPolarHBondContact O-CG1 3.38Å; W415-I419 PolarHBondContact O-N 2.87Å; Q416-I419 PolarHBondContact O-N 3.34Å; I419-L421 PolarHBondContact O-N 3.13Å; I419-T422 PolarHBondContact O-N 3.05Å; I419-T423 WeakPolarHBondContact O-CB 3.42Å; I419-T423 PolarHBondContact O-N 3.01Å; I419-T423 PolarHBondContact O-OG1 2.97Å; I419-F718 HydrophobicContact CG2-CE1 3.79Å; I419-F718 HydrophobicContact CG2-CZ 3.49Å; I419-F718 VanDerWaalsContact CG2-CZ 3.49Å; I419-M722 HydrophobicContact CB-CE 4.13Å; I419-M722 HydrophobicContact CG2-CE 4.43Å
420L90Very high86.9Confident0 Ų039 Ų390%018%0.178CC..Hα-helixtrans-52.9-51.7174.3-176.2100.7000111.7Q416 F417 L418 V424 L477 I481 L719 M722 A723Q416-L420 PolarHBondContact O-N 3.39Å; F417-L420 HydrophobicContact CD2-CD2 4.35Å; F417-L420 WeakPolarHBondContact O-CB 2.97Å; F417-L420 PolarHBondContact O-N 2.88Å; L418-L420 VanDerWaalsContact C-N 3.27Å; L418-L420 PolarHBondContact O-N 3.46Å; L420-V424 WeakPolarHBondContact O-CG2 3.1Å; L420-V424 PolarHBondContact O-N 2.82Å; L420-V424 VanDerWaalsContact O-N 3.11Å; L420-L477 HydrophobicContact CD2-CD2 4.29Å; L420-I481 HydrophobicContact CD1-CD1 4.24Å; L420-I481 HydrophobicContact CG-CD1 4.45Å; L420-L719 HydrophobicContact CD1-CD2 4.09Å; L420-L719 WeakPolarHBondContact CD1-O 3.46Å; L420-L719 HydrophobicContact CG-CD2 4.32Å; L420-M722 HydrophobicContact CB-CG 4.44Å; L420-M722 HydrophobicContact CB-SD 3.84Å; L420-M722 HydrophobicContact CD1-CB 3.88Å; L420-M722 HydrophobicContact CD1-CG 3.91Å; L420-M722 HydrophobicContact CD1-SD 4.06Å; L420-A723 HydrophobicContact CD1-CB 3.9Å
421L87.6Confident86.7Confident4 Ų429.1 Ų29.12%0.02114%0.141CC..Hα-helixtrans-66.8-43.8-178.9-70.9177.8000112.6F417 L418 I419 V424 K425 F480 Q573 S597F417-L421 HydrophobicContact CD1-CD1 4.09Å; F417-L421 HydrophobicContact CD2-CD1 4.43Å; F417-L421 HydrophobicContact CD2-CG 4.33Å; F417-L421 HydrophobicContact CE1-CD1 3.47Å; F417-L421 VanDerWaalsContact CE1-CD1 3.47Å; F417-L421 HydrophobicContact CE1-CG 4.36Å; F417-L421 HydrophobicContact CE2-CD1 3.84Å; F417-L421 HydrophobicContact CE2-CD2 4.1Å; F417-L421 HydrophobicContact CE2-CG 3.87Å; F417-L421 HydrophobicContact CZ-CD1 3.34Å; F417-L421 HydrophobicContact CZ-CD2 4.21Å; F417-L421 HydrophobicContact CZ-CG 3.91Å; F417-L421 WeakPolarHBondContact O-CG 3.2Å; F417-L421 PolarHBondContact O-N 2.75Å; L418-L421 PolarHBondContact O-N 3.01Å; L418-L421 VanDerWaalsContact O-N 3.13Å; I419-L421 PolarHBondContact O-N 3.13Å; L421-V424 PolarHBondContact O-N 3.43Å; L421-K425 WeakPolarHBondContact O-CG 3.45Å; L421-K425 PolarHBondContact O-N 2.86Å; L421-F480 HydrophobicContact CD2-CE1 4.01Å; L421-F480 HydrophobicContact CD2-CE2 4.33Å; L421-F480 HydrophobicContact CD2-CZ 3.63Å; L421-Q573 HydrophobicContact CD2-CG 4.35Å; L421-S597 WeakPolarHBondContact CD1-OG 3.23Å
422T82.6Confident86.3Confident23 Ų2331.4 Ų31.414%0.14115%0.151CC..Hα-helixtrans-59.7-47.8177.7-58.50000110.7L418 I419 V424 K425 V426 G600L418-T422 PolarHBondContact O-N 3.5Å; L418-T422 PolarHBondContact O-OG1 2.95Å; I419-T422 PolarHBondContact O-N 3.05Å; T422-V424 VanDerWaalsContact C-N 3.34Å; T422-V424 PolarHBondContact O-N 3.32Å; T422-K425 PolarHBondContact O-N 2.96Å; T422-V426 HydrophobicContact CG2-CG2 4.33Å; T422-V426 VanDerWaalsContact O-CG2 3.25Å; T422-V426 WeakPolarHBondContact O-CG2 3.49Å; T422-V426 PolarHBondContact O-N 2.86Å; T422-G600 WeakPolarHBondContact CB-O 3.33Å; T422-G600 WeakPolarHBondContact CG2-O 3.18Å; T422-G600 PolarHBondContact OG1-O 3.47Å
423T88.7Confident85.5Confident22 Ų2225.6 Ų25.614%0.13513%0.128CC..Hα-helixtrans-59.7-44.2177.8-620000111.6I419 K425 V426 C427 F710 V714 F718 L719I419-T423 WeakPolarHBondContact O-CB 3.42Å; I419-T423 PolarHBondContact O-N 3.01Å; I419-T423 PolarHBondContact O-OG1 2.97Å; T423-K425 PolarHBondContact O-N 2.88Å; T423-V426 PolarHBondContact O-N 3.28Å; T423-C427 PolarHBondContact O-N 3.27Å; T423-C427 PolarHBondContact O-SG 3.39Å; T423-F710 HydrophobicContact CG2-CE1 4.34Å; T423-V714 HydrophobicContact CG2-CG1 3.36Å; T423-F718 HydrophobicContact CG2-CD1 4.28Å; T423-F718 HydrophobicContact CG2-CE1 4.48Å; T423-L719 HydrophobicContact CG2-CD1 4.37Å; T423-L719 HydrophobicContact CG2-CD2 3.73Å; T423-L719 HydrophobicContact CG2-CG 4.19Å
424V89.1Confident85.2Confident5 Ų524.9 Ų24.93%0.0312%0.123CC..Hα-helixtrans-60.2-44.8175.3162.40000111.9L420 L421 T422 C427 L428 F480 I481 F484 M569 L719L420-V424 WeakPolarHBondContact O-CG2 3.1Å; L420-V424 PolarHBondContact O-N 2.82Å; L420-V424 VanDerWaalsContact O-N 3.11Å; L421-V424 PolarHBondContact O-N 3.43Å; T422-V424 VanDerWaalsContact C-N 3.34Å; T422-V424 PolarHBondContact O-N 3.32Å; V424-C427 PolarHBondContact O-N 2.71Å; V424-L428 HydrophobicContact CG1-CD1 4.18Å; V424-L428 PolarHBondContact O-N 2.8Å; V424-F480 HydrophobicContact CB-CE1 4.47Å; V424-F480 HydrophobicContact CG1-CE1 4.19Å; V424-F480 HydrophobicContact CG1-CZ 4.14Å; V424-F480 HydrophobicContact CG2-CE1 4.12Å; V424-I481 HydrophobicContact CG2-CD1 4.06Å; V424-F484 HydrophobicContact CB-CD2 4.27Å; V424-F484 HydrophobicContact CB-CE2 4.22Å; V424-F484 HydrophobicContact CG1-CD2 3.61Å; V424-F484 HydrophobicContact CG1-CE2 3.85Å; V424-F484 HydrophobicContact CG2-CD2 4.02Å; V424-F484 HydrophobicContact CG2-CE2 4.14Å; V424-F484 HydrophobicContact CG2-CG 4.37Å; V424-M569 HydrophobicContact CG1-CE 3.78Å; V424-L719 HydrophobicContact CG2-CD1 3.84Å; V424-L719 HydrophobicContact CG2-CD2 3.82Å; V424-L719 HydrophobicContact CG2-CG 4.44Å
425K84.7Confident85.2Confident63 Ų6325.4 Ų25.427%0.27413%0.125SC..Hα-helixtrans-65.5-43178.9-75.6-175.8173.5176.10112.3L421 T422 T423 C427 L428 A429 S597 S601L421-K425 WeakPolarHBondContact O-CG 3.45Å; L421-K425 PolarHBondContact O-N 2.86Å; T422-K425 PolarHBondContact O-N 2.96Å; T423-K425 PolarHBondContact O-N 2.88Å; K425-C427 VanDerWaalsContact C-N 3.26Å; K425-C427 PolarHBondContact O-N 3.42Å; K425-L428 CarbonylContact O-C 3.55Å; K425-L428 PolarHBondContact O-N 2.68Å; K425-A429 WeakPolarHBondContact O-CB 3.44Å; K425-A429 PolarHBondContact O-N 3.09Å; K425-S597 PolarHBondContact NZ-O 3.42Å; K425-S601 WeakPolarHBondContact CD-OG 3.2Å; K425-S601 PolarHBondContact NZ-OG 3.25Å
426V83.1Confident85.1Confident51 Ų5122.3 Ų22.331%0.30912%0.12SC..Hα-helixtrans-56.2-39.9175.9167.90000111.7T422 T423 L428 F616 F710T422-V426 HydrophobicContact CG2-CG2 4.33Å; T422-V426 VanDerWaalsContact O-CG2 3.25Å; T422-V426 WeakPolarHBondContact O-CG2 3.49Å; T422-V426 PolarHBondContact O-N 2.86Å; T423-V426 PolarHBondContact O-N 3.28Å; V426-L428 VanDerWaalsContact C-N 3.25Å; V426-L428 PolarHBondContact O-N 3.09Å; V426-F616 HydrophobicContact CG1-CZ 4.17Å; V426-F710 HydrophobicContact CG1-CE1 4.23Å
427C87.7Confident84.8Confident0 Ų024.6 Ų24.60%013%0.133CC..Hα-helixtrans-65-28.8178.2-60.40000113.3T423 V424 K425 F484 L488 S707 F710 G711T423-C427 PolarHBondContact O-N 3.27Å; T423-C427 PolarHBondContact O-SG 3.39Å; V424-C427 PolarHBondContact O-N 2.71Å; K425-C427 VanDerWaalsContact C-N 3.26Å; K425-C427 PolarHBondContact O-N 3.42Å; C427-F484 HydrophobicContact CB-CE2 4.01Å; C427-F484 HydrophobicContact CB-CZ 3.76Å; C427-L488 HydrophobicContact CB-CD1 4.3Å; C427-S707 WeakPolarHBondContact O-CB 3.49Å; C427-S707 PolarHBondContact O-OG 2.82Å; C427-F710 VanDerWaalsContact SG-CD1 3.56Å; C427-G711 WeakPolarHBondContact SG-CA 3.02Å
428L88.2Confident84.9Confident3 Ų324.8 Ų24.82%0.01613%0.134CC..Hα-helixtrans-105.4-13.2-172.4-62.9171000113.8V424 K425 V426 P431 E432 F484 R487 L488 T491V424-L428 HydrophobicContact CG1-CD1 4.18Å; V424-L428 PolarHBondContact O-N 2.8Å; K425-L428 CarbonylContact O-C 3.55Å; K425-L428 PolarHBondContact O-N 2.68Å; V426-L428 VanDerWaalsContact C-N 3.25Å; V426-L428 PolarHBondContact O-N 3.09Å; L428-P431 VanDerWaalsContact O-CD 3.27Å; L428-P431 WeakPolarHBondContact O-CD 3.43Å; L428-P431 WeakPolarHBondContact O-CG 3.35Å; L428-E432 VanDerWaalsContact O-CG 3.31Å; L428-E432 WeakPolarHBondContact O-CG 3.29Å; L428-E432 PolarHBondContact O-N 3.4Å; L428-F484 HydrophobicContact CD1-CD2 4.01Å; L428-F484 HydrophobicContact CD1-CE2 3.95Å; L428-F484 HydrophobicContact CD2-CE2 4.38Å; L428-F484 HydrophobicContact CG-CE2 3.99Å; L428-R487 HydrophobicContact CD1-CG 4.18Å; L428-R487 HydrophobicContact CD2-CG 4.09Å; L428-L488 HydrophobicContact CD2-CD1 4.14Å; L428-T491 HydrophobicContact CD2-CG2 4.42Å
429A81.2Confident85Confident7 Ų724.2 Ų24.26%0.05813%0.131CC..Hα-helixtrans-64.9-52.6-169.300000114.2K425 E432 T433 F616K425-A429 WeakPolarHBondContact O-CB 3.44Å; K425-A429 PolarHBondContact O-N 3.09Å; A429-E432 PolarHBondContact O-N 3.04Å; A429-T433 WeakPolarHBondContact O-CG2 3.41Å; A429-T433 PolarHBondContact O-N 3.33Å; A429-T433 PolarHBondContact O-OG1 3.13Å; A429-T433 VanDerWaalsContact O-OG1 3.04Å; A429-F616 HydrophobicContact CB-CD2 3.44Å; A429-F616 VanDerWaalsContact CB-CD2 3.44Å; A429-F616 HydrophobicContact CB-CE2 3.27Å; A429-F616 HydrophobicContact CB-CG 4.44Å; A429-F616 HydrophobicContact CB-CZ 4.09Å
430A80.5Confident84.9Confident0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-51.1-50.4-179.700000114E432 T433 I434 F616 E703 V704A430-E432 PolarHBondContact O-N 3.18Å; A430-T433 PolarHBondContact O-OG1 3.32Å; A430-I434 HydrophobicContact CB-CD1 4.16Å; A430-I434 VanDerWaalsContact O-CB 3.32Å; A430-I434 WeakPolarHBondContact O-CB 3.2Å; A430-I434 VanDerWaalsContact O-CG1 3.25Å; A430-I434 WeakPolarHBondContact O-CG1 3.5Å; A430-I434 PolarHBondContact O-N 3.34Å; A430-F616 HydrophobicContact CB-CD1 4.18Å; A430-F616 HydrophobicContact CB-CG 4.45Å; A430-E703 HydrophobicContact CB-CG 3.84Å; A430-E703 VanDerWaalsContact CB-OE1 3.26Å; A430-E703 WeakPolarHBondContact CB-OE1 3.49Å; A430-V704 HydrophobicContact CB-CG2 4.25Å
431P81.5Confident84.6Confident4 Ų428.8 Ų28.83%0.02615%0.152CC..Hα-helixtrans-72.7-23177.621.5-27.6000114L428 F435 T491 T494 V704L428-P431 VanDerWaalsContact O-CD 3.27Å; L428-P431 WeakPolarHBondContact O-CD 3.43Å; L428-P431 WeakPolarHBondContact O-CG 3.35Å; P431-F435 WeakPolarHBondContact O-CB 3.28Å; P431-T491 HydrophobicContact CB-CG2 3.67Å; P431-T491 HydrophobicContact CG-CG2 3.1Å; P431-T494 HydrophobicContact CB-CG2 4.2Å; P431-V704 HydrophobicContact CB-CG1 4.1Å; P431-V704 HydrophobicContact CB-CG2 4.23Å; P431-V704 HydrophobicContact CG-CG1 4.32Å
432E79.8Confident84.5Confident82 Ų8230.4 Ų30.438%0.38316%0.159SC..Hα-helixtrans-72-41.1173.7-77.5-177157.300112.1L428 A429 A430 R487 Y562L428-E432 VanDerWaalsContact O-CG 3.31Å; L428-E432 WeakPolarHBondContact O-CG 3.29Å; L428-E432 PolarHBondContact O-N 3.4Å; A429-E432 PolarHBondContact O-N 3.04Å; A430-E432 PolarHBondContact O-N 3.18Å; E432-R487 IonicContact OE1-CZ 3.8Å; E432-R487 IonicContact OE1-NH2 3.84Å; E432-R487 PolarHBondContact OE1-NH2 2.61Å; E432-Y562 HydrophobicContact CG-CE1 4.34Å; E432-Y562 WeakPolarHBondContact CG-OH 3.13Å; E432-Y562 PolarHBondContact OE1-OH 2.84Å
433T75.3Confident84.4Confident25 Ų2530 Ų3015%0.15316%0.16CC..Hα-helixtrans-91-37.3-168.5590000112.4A429 A430 S613A429-T433 WeakPolarHBondContact O-CG2 3.41Å; A429-T433 PolarHBondContact O-N 3.33Å; A429-T433 PolarHBondContact O-OG1 3.13Å; A429-T433 VanDerWaalsContact O-OG1 3.04Å; A430-T433 PolarHBondContact O-OG1 3.32Å; T433-S613 VanDerWaalsContact CG2-CB 3.5Å; T433-S613 WeakPolarHBondContact CG2-OG 3.36Å
434I82.8Confident84.3Confident2 Ų229.1 Ų29.11%0.0115%0.154CC..Hα-helixtrans-92.6-24.9-171.3-49.5167.1000111.8A430 S436 L437 K438 L617 I620 F700 E703A430-I434 HydrophobicContact CB-CD1 4.16Å; A430-I434 VanDerWaalsContact O-CB 3.32Å; A430-I434 WeakPolarHBondContact O-CB 3.2Å; A430-I434 VanDerWaalsContact O-CG1 3.25Å; A430-I434 WeakPolarHBondContact O-CG1 3.5Å; A430-I434 PolarHBondContact O-N 3.34Å; I434-S436 PolarHBondContact O-N 2.7Å; I434-L437 PolarHBondContact O-N 3.46Å; I434-K438 HydrophobicContact CG2-CG 3.77Å; I434-K438 PolarHBondContact O-N 3.32Å; I434-L617 HydrophobicContact CG1-CD2 3.92Å; I434-I620 HydrophobicContact CB-CD1 4.37Å; I434-I620 HydrophobicContact CD1-CD1 3.57Å; I434-I620 HydrophobicContact CD1-CG1 3.85Å; I434-I620 HydrophobicContact CG1-CD1 3.79Å; I434-I620 HydrophobicContact CG2-CD1 3.61Å; I434-F700 HydrophobicContact CB-CD2 3.68Å; I434-F700 HydrophobicContact CB-CE2 3.82Å; I434-F700 HydrophobicContact CD1-CD2 4.27Å; I434-F700 HydrophobicContact CG2-CB 4.42Å; I434-F700 HydrophobicContact CG2-CD2 3.26Å; I434-F700 HydrophobicContact CG2-CE2 3.75Å; I434-F700 HydrophobicContact CG2-CG 4.13Å; I434-E703 VanDerWaalsContact CD1-OE1 3.28Å; I434-E703 WeakPolarHBondContact CD1-OE1 3.17Å
435F88.2Confident83.8Confident13 Ų1329.4 Ų29.46%0.05716%0.156CC..Hα-helixtrans-55.8-49.1-174.1174-121.2000113.9P431 L437 K438 L439 T494 I497 V498 L555 K558 L559P431-F435 WeakPolarHBondContact O-CB 3.28Å; F435-L437 VanDerWaalsContact C-N 3.35Å; F435-K438 PolarHBondContact O-N 2.79Å; F435-L439 HydrophobicContact CD1-CD1 4.35Å; F435-L439 HydrophobicContact CD2-CD1 4.3Å; F435-L439 HydrophobicContact CD2-CG 4.36Å; F435-L439 HydrophobicContact CE1-CD1 3.85Å; F435-L439 HydrophobicContact CE2-CD1 3.85Å; F435-L439 HydrophobicContact CE2-CD2 4.43Å; F435-L439 HydrophobicContact CE2-CG 4.12Å; F435-L439 HydrophobicContact CZ-CD1 3.62Å; F435-L439 HydrophobicContact CZ-CG 4.39Å; F435-L439 WeakPolarHBondContact O-CG 3.03Å; F435-L439 PolarHBondContact O-N 3.33Å; F435-T494 HydrophobicContact CB-CG2 3.99Å; F435-T494 HydrophobicContact CD2-CG2 3.39Å; F435-T494 HydrophobicContact CE2-CG2 4.04Å; F435-T494 HydrophobicContact CG-CG2 3.96Å; F435-I497 HydrophobicContact CE2-CG2 4.01Å; F435-I497 HydrophobicContact CZ-CG2 4.18Å; F435-V498 HydrophobicContact CD2-CG2 3.5Å; F435-V498 VanDerWaalsContact CD2-CG2 3.5Å; F435-V498 HydrophobicContact CE2-CG2 3.67Å; F435-L555 HydrophobicContact CE1-CD1 3.83Å; F435-L555 HydrophobicContact CZ-CD1 3.42Å; F435-L555 VanDerWaalsContact CZ-CD1 3.42Å; F435-K558 HydrophobicContact CE1-CD 4.41Å; F435-K558 HydrophobicContact CZ-CD 4.29Å; F435-L559 HydrophobicContact CE1-CD2 4.11Å
436S85Confident83.5Confident47 Ų4731 Ų3133%0.32916%0.163SC..Hα-helixtrans-64.1-41.8179.5560000111.3I434 L439 I440I434-S436 PolarHBondContact O-N 2.7Å; S436-L439 PolarHBondContact O-N 3.38Å; S436-I440 WeakPolarHBondContact O-CD1 3.03Å; S436-I440 VanDerWaalsContact O-CG1 3.23Å; S436-I440 WeakPolarHBondContact O-CG1 3.33Å; S436-I440 PolarHBondContact O-N 2.89Å
437L85Confident83Confident74 Ų7434.9 Ų34.939%0.38718%0.178SC..Hα-helixtrans-62.7-44.6177.7-64.5173000111.6I434 F435 L439 I440 E441 L617I434-L437 PolarHBondContact O-N 3.46Å; F435-L437 VanDerWaalsContact C-N 3.35Å; L437-L439 PolarHBondContact O-N 2.99Å; L437-I440 WeakPolarHBondContact O-CB 3.46Å; L437-I440 PolarHBondContact O-N 3.32Å; L437-I440 VanDerWaalsContact O-N 3.15Å; L437-E441 WeakPolarHBondContact O-CG 3.31Å; L437-E441 PolarHBondContact O-N 2.9Å; L437-L617 HydrophobicContact CD1-CD1 4.32Å; L437-L617 HydrophobicContact CD1-CD2 3.48Å; L437-L617 VanDerWaalsContact CD1-CD2 3.48Å
438K88.5Confident82.8Confident7 Ų739.3 Ų39.33%0.0320%0.195CC..Hα-helixtrans-65.7-36.2177.1-79.8-76.3170.4-167.40113.2I434 F435 I440 E441 H442 V498 D698 F700I434-K438 HydrophobicContact CG2-CG 3.77Å; I434-K438 PolarHBondContact O-N 3.32Å; F435-K438 PolarHBondContact O-N 2.79Å; K438-I440 VanDerWaalsContact C-N 3.32Å; K438-E441 WeakPolarHBondContact CD-OE2 3.46Å; K438-E441 WeakPolarHBondContact CE-OE2 3.08Å; K438-E441 IonicContact NZ-OE2 2.65Å; K438-E441 PolarHBondContact NZ-OE2 3.44Å; K438-E441 PolarHBondContact O-N 3.3Å; K438-H442 PolarHBondContact O-CD2 3.49Å; K438-H442 PolarHBondContact O-N 2.84Å; K438-V498 HydrophobicContact CB-CG1 3.78Å; K438-V498 HydrophobicContact CB-CG2 4.46Å; K438-D698 IonicContact NZ-OD1 2.83Å; K438-D698 PolarHBondContact NZ-OD1 2.99Å; K438-D698 IonicContact NZ-OD2 3.23Å; K438-D698 PolarHBondContact NZ-OD2 3.09Å; K438-F700 HydrophobicContact CB-CZ 4.46Å; K438-F700 HydrophobicContact CD-CB 4.26Å; K438-F700 HydrophobicContact CD-CD1 4.18Å; K438-F700 HydrophobicContact CD-CG 4.14Å; K438-F700 HydrophobicContact CG-CB 4.32Å; K438-F700 HydrophobicContact CG-CD1 3.96Å; K438-F700 HydrophobicContact CG-CD2 3.94Å; K438-F700 HydrophobicContact CG-CE1 4.21Å; K438-F700 HydrophobicContact CG-CE2 4.15Å; K438-F700 HydrophobicContact CG-CG 3.8Å; K438-F700 HydrophobicContact CG-CZ 4.27Å
439L88.3Confident82.5Confident0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-62.3-42.1171.7-72.5179.3000111.4F435 S436 L437 H442 G443 F444 L449 V498 T501 F551 L555F435-L439 HydrophobicContact CD1-CD1 4.35Å; F435-L439 HydrophobicContact CD2-CD1 4.3Å; F435-L439 HydrophobicContact CD2-CG 4.36Å; F435-L439 HydrophobicContact CE1-CD1 3.85Å; F435-L439 HydrophobicContact CE2-CD1 3.85Å; F435-L439 HydrophobicContact CE2-CD2 4.43Å; F435-L439 HydrophobicContact CE2-CG 4.12Å; F435-L439 HydrophobicContact CZ-CD1 3.62Å; F435-L439 HydrophobicContact CZ-CG 4.39Å; F435-L439 WeakPolarHBondContact O-CG 3.03Å; F435-L439 PolarHBondContact O-N 3.33Å; S436-L439 PolarHBondContact O-N 3.38Å; L437-L439 PolarHBondContact O-N 2.99Å; L439-H442 CarbonylContact O-C 3.41Å; L439-H442 WeakPolarHBondContact O-CA 3.46Å; L439-H442 PolarHBondContact O-N 2.55Å; L439-G443 PolarHBondContact O-N 2.93Å; L439-F444 HydrophobicContact CB-CB 4.05Å; L439-F444 WeakPolarHBondContact O-CB 3.36Å; L439-F444 PolarHBondContact O-N 3.11Å; L439-L449 HydrophobicContact CB-CD1 4.39Å; L439-L449 HydrophobicContact CD1-CD2 3.87Å; L439-V498 HydrophobicContact CD2-CG2 4.36Å; L439-T501 HydrophobicContact CD2-CG2 4.01Å; L439-T501 WeakPolarHBondContact CD2-OG1 3.25Å; L439-F551 HydrophobicContact CD2-CZ 3.98Å; L439-L555 HydrophobicContact CD1-CD1 3.99Å; L439-L555 HydrophobicContact CD1-CD2 4.07Å
440I85.2Confident82.2Confident49 Ų4941.8 Ų41.825%0.25121%0.211SC..Hα-helixtrans-65.3-42.9176.6-65159.2000111.1S436 L437 K438 H442 G443 K446 L449S436-I440 WeakPolarHBondContact O-CD1 3.03Å; S436-I440 VanDerWaalsContact O-CG1 3.23Å; S436-I440 WeakPolarHBondContact O-CG1 3.33Å; S436-I440 PolarHBondContact O-N 2.89Å; L437-I440 WeakPolarHBondContact O-CB 3.46Å; L437-I440 PolarHBondContact O-N 3.32Å; L437-I440 VanDerWaalsContact O-N 3.15Å; K438-I440 VanDerWaalsContact C-N 3.32Å; I440-H442 PolarHBondContact O-N 2.86Å; I440-G443 WeakPolarHBondContact O-CA 3.47Å; I440-G443 PolarHBondContact O-N 3.22Å; I440-K446 HydrophobicContact CD1-CD 4.4Å; I440-K446 HydrophobicContact CD1-CG 3.7Å; I440-K446 HydrophobicContact CG1-CG 3.82Å; I440-K446 HydrophobicContact CG2-CD 4.47Å; I440-K446 HydrophobicContact CG2-CG 4.05Å; I440-L449 HydrophobicContact CD1-CD1 3.89Å; I440-L449 HydrophobicContact CG1-CD1 3.63Å
441E84.1Confident82.3Confident123 Ų12346.7 Ų46.758%0.57524%0.237SC*.Hα-helixtrans-58.2-35.7172.5-73.9-177.2179.500111.5L437 K438 G443L437-E441 WeakPolarHBondContact O-CG 3.31Å; L437-E441 PolarHBondContact O-N 2.9Å; K438-E441 WeakPolarHBondContact CD-OE2 3.46Å; K438-E441 WeakPolarHBondContact CE-OE2 3.08Å; K438-E441 IonicContact NZ-OE2 2.65Å; K438-E441 PolarHBondContact NZ-OE2 3.44Å; K438-E441 PolarHBondContact O-N 3.3Å; E441-G443 PolarHBondContact O-N 2.97Å
442H85.2Confident82.5Confident39 Ų3947.5 Ų47.518%0.18124%0.24CC..THydrogen-bonded Turntrans-80.216.9171.9-69.5-55.9000114.1K438 L439 I440 T501 R505K438-H442 PolarHBondContact O-CD2 3.49Å; K438-H442 PolarHBondContact O-N 2.84Å; L439-H442 CarbonylContact O-C 3.41Å; L439-H442 WeakPolarHBondContact O-CA 3.46Å; L439-H442 PolarHBondContact O-N 2.55Å; I440-H442 PolarHBondContact O-N 2.86Å; H442-T501 HydrophobicContact CB-CG2 3.66Å; H442-R505 PolarHBondContact O-NE 3.29Å; H442-R505 PolarHBondContact O-NH2 3.42Å
443G81.4Confident82.3Confident15 Ų1545.2 Ų45.216%0.15524%0.238CC..THydrogen-bonded Turntrans80.712.7171.100000114.8L439 I440 E441 Y545L439-G443 PolarHBondContact O-N 2.93Å; I440-G443 WeakPolarHBondContact O-CA 3.47Å; I440-G443 PolarHBondContact O-N 3.22Å; E441-G443 PolarHBondContact O-N 2.97Å; G443-Y545 PolarHBondContact O-N 2.97Å
444F84.9Confident82.6Confident3 Ų345.2 Ų45.21%0.01324%0.238CC..  trans-73.9127.7174-166-88.1000110.7L439 K446 R448 L449 F452 F547 F551 Y552 L555L439-F444 HydrophobicContact CB-CB 4.05Å; L439-F444 WeakPolarHBondContact O-CB 3.36Å; L439-F444 PolarHBondContact O-N 3.11Å; F444-K446 PolarHBondContact O-N 3.31Å; F444-R448 HydrophobicContact CE1-CB 3.66Å; F444-R448 HydrophobicContact CZ-CB 3.89Å; F444-L449 HydrophobicContact CD1-CD1 4.04Å; F444-L449 HydrophobicContact CD1-CD2 3.94Å; F444-L449 HydrophobicContact CD1-CG 3.55Å; F444-L449 HydrophobicContact CE1-CB 4.46Å; F444-L449 HydrophobicContact CE1-CD2 3.75Å; F444-L449 HydrophobicContact CE1-CG 3.57Å; F444-F452 HydrophobicContact CE1-CE2 4.34Å; F444-F452 AromaticContact CZ-CE2 3.72Å; F444-F452 HydrophobicContact CZ-CE2 3.72Å; F444-F452 HydrophobicContact CZ-CZ 4.38Å; F444-F547 HydrophobicContact CB-CE2 4.05Å; F444-F547 HydrophobicContact CB-CZ 4.05Å; F444-F547 HydrophobicContact CD2-CD1 4.49Å; F444-F547 AromaticContact CD2-CD2 3.71Å; F444-F547 HydrophobicContact CD2-CD2 3.71Å; F444-F547 HydrophobicContact CD2-CE1 4.43Å; F444-F547 AromaticContact CD2-CE2 3.68Å; F444-F547 HydrophobicContact CD2-CE2 3.68Å; F444-F547 HydrophobicContact CD2-CG 4.16Å; F444-F547 HydrophobicContact CD2-CZ 4.04Å; F444-F547 HydrophobicContact CE2-CD2 4.24Å; F444-F547 HydrophobicContact CG-CE2 4.24Å; F444-F551 HydrophobicContact CD2-CD1 4.39Å; F444-F551 AromaticContact CD2-CE1 3.66Å; F444-F551 HydrophobicContact CD2-CE1 3.66Å; F444-F551 HydrophobicContact CE2-CD1 4.09Å; F444-F551 AromaticContact CE2-CE1 3.63Å; F444-F551 HydrophobicContact CE2-CE1 3.63Å; F444-Y552 HydrophobicContact CE2-CD1 4.08Å; F444-Y552 AromaticContact CE2-CE1 3.41Å; F444-Y552 HydrophobicContact CE2-CE1 3.41Å; F444-Y552 VanDerWaalsContact CE2-CE1 3.41Å; F444-Y552 HydrophobicContact CZ-CD1 4.18Å; F444-Y552 AromaticContact CZ-CE1 3.6Å; F444-Y552 HydrophobicContact CZ-CE1 3.6Å; F444-L555 HydrophobicContact CE1-CD2 4.47Å; F444-L555 HydrophobicContact CE2-CD2 3.99Å; F444-L555 HydrophobicContact CZ-CD2 3.86Å
445P80Confident82.6Confident11 Ų1149.4 Ų49.47%0.07126%0.26CS..  trans-64.4131.7-176.622.3-31.9000112.5E447 R448 L449 A544P445-E447 WeakPolarHBondContact CB-OE2 3.36Å; P445-E447 PolarHBondContact O-N 2.92Å; P445-R448 HydrophobicContact CB-CG 4.25Å; P445-R448 HydrophobicContact CG-CB 3.98Å; P445-R448 VanDerWaalsContact CG-CD 3.45Å; P445-R448 HydrophobicContact CG-CG 3.59Å; P445-R448 PolarHBondContact O-N 3.18Å; P445-R448 VanDerWaalsContact O-N 3.15Å; P445-L449 PolarHBondContact O-N 3.42Å; P445-A544 HydrophobicContact CB-CB 4.29Å
446K76.7Confident82.4Confident95 Ų9549.3 Ų49.341%0.41326%0.26SS..Hα-helixtrans-60.3-36-178.7-68.8179.5179.1172.80111.8Y30 I440 F444 R448 L449 A450Y30-K446 PolarHBondContact OH-NZ 2.67Å; I440-K446 HydrophobicContact CD1-CD 4.4Å; I440-K446 HydrophobicContact CD1-CG 3.7Å; I440-K446 HydrophobicContact CG1-CG 3.82Å; I440-K446 HydrophobicContact CG2-CD 4.47Å; I440-K446 HydrophobicContact CG2-CG 4.05Å; F444-K446 PolarHBondContact O-N 3.31Å; K446-R448 VanDerWaalsContact C-N 3.28Å; K446-R448 PolarHBondContact O-N 3.36Å; K446-L449 PolarHBondContact O-N 2.97Å; K446-A450 PolarHBondContact O-N 3.47Å
447E72.9Confident82.2Confident134 Ų13448.5 Ų48.563%0.62625%0.252SS*.Hα-helixtrans-63.9-36.1-179.2-52.271.9-152.400110.6P445 L451P445-E447 WeakPolarHBondContact CB-OE2 3.36Å; P445-E447 PolarHBondContact O-N 2.92Å; E447-L451 VanDerWaalsContact O-CB 3.31Å; E447-L451 WeakPolarHBondContact O-CB 3.48Å; E447-L451 PolarHBondContact O-N 3.07Å
448R84Confident82Confident93 Ų9347.5 Ų47.535%0.35125%0.25SC..Hα-helixtrans-73.8-33.8176.9-62.5-171-162.7-168.32.3112F444 P445 K446 L451 F452 Y552F444-R448 HydrophobicContact CE1-CB 3.66Å; F444-R448 HydrophobicContact CZ-CB 3.89Å; P445-R448 HydrophobicContact CB-CG 4.25Å; P445-R448 HydrophobicContact CG-CB 3.98Å; P445-R448 VanDerWaalsContact CG-CD 3.45Å; P445-R448 HydrophobicContact CG-CG 3.59Å; P445-R448 PolarHBondContact O-N 3.18Å; P445-R448 VanDerWaalsContact O-N 3.15Å; K446-R448 VanDerWaalsContact C-N 3.28Å; K446-R448 PolarHBondContact O-N 3.36Å; R448-L451 PolarHBondContact O-N 3.4Å; R448-F452 WeakPolarHBondContact O-CG 3.32Å; R448-F452 PolarHBondContact O-N 3.48Å; R448-Y552 VanDerWaalsContact NH1-CZ 3.27Å; R448-Y552 PolarHBondContact NH1-OH 3.18Å
449L81.7Confident81.7Confident29 Ų2949.7 Ų49.715%0.15226%0.261CS..Hα-helixtrans-66.1-45.6172.8-74.9170.4000111.2L439 I440 F444 P445 K446 L451 F452 G453L439-L449 HydrophobicContact CB-CD1 4.39Å; L439-L449 HydrophobicContact CD1-CD2 3.87Å; I440-L449 HydrophobicContact CD1-CD1 3.89Å; I440-L449 HydrophobicContact CG1-CD1 3.63Å; F444-L449 HydrophobicContact CD1-CD1 4.04Å; F444-L449 HydrophobicContact CD1-CD2 3.94Å; F444-L449 HydrophobicContact CD1-CG 3.55Å; F444-L449 HydrophobicContact CE1-CB 4.46Å; F444-L449 HydrophobicContact CE1-CD2 3.75Å; F444-L449 HydrophobicContact CE1-CG 3.57Å; P445-L449 PolarHBondContact O-N 3.42Å; K446-L449 PolarHBondContact O-N 2.97Å; L449-L451 VanDerWaalsContact C-N 3.27Å; L449-L451 PolarHBondContact O-N 3.36Å; L449-F452 PolarHBondContact O-N 3.31Å; L449-F452 VanDerWaalsContact O-N 3.17Å; L449-G453 PolarHBondContact O-N 3.23Å; L449-G453 VanDerWaalsContact O-N 3.11Å
450A75.1Confident81.3Confident33 Ų3352.7 Ų52.727%0.27328%0.275SS..Hα-helixtrans-59.5-41.9175.600000110.8F19 K446 F452 G453 V454F19-A450 HydrophobicContact CE2-CB 4.05Å; K446-A450 PolarHBondContact O-N 3.47Å; A450-F452 VanDerWaalsContact C-N 3.35Å; A450-F452 PolarHBondContact O-N 2.92Å; A450-G453 PolarHBondContact O-N 3.25Å; A450-V454 WeakPolarHBondContact O-CG2 3.07Å; A450-V454 PolarHBondContact O-N 3.12Å
451L82.3Confident81Confident103 Ų10350.7 Ų50.754%0.53927%0.266SS..Hα-helixtrans-60.9-38.6175.2-174.765.6000112.9E447 R448 L449 V454 L455E447-L451 VanDerWaalsContact O-CB 3.31Å; E447-L451 WeakPolarHBondContact O-CB 3.48Å; E447-L451 PolarHBondContact O-N 3.07Å; R448-L451 PolarHBondContact O-N 3.4Å; L449-L451 VanDerWaalsContact C-N 3.27Å; L449-L451 PolarHBondContact O-N 3.36Å; L451-V454 WeakPolarHBondContact O-CB 3.3Å; L451-V454 PolarHBondContact O-N 3.41Å; L451-L455 WeakPolarHBondContact O-CB 3.14Å; L451-L455 PolarHBondContact O-N 3.25Å
452F85.2Confident81.1Confident20 Ų2049.7 Ų49.79%0.08826%0.264CS..Hα-helixtrans-66.8-39.6175-66.5-26000113.2F444 R448 L449 A450 V454 L455 L456 Y552 L555 L556 L559F444-F452 HydrophobicContact CE1-CE2 4.34Å; F444-F452 AromaticContact CZ-CE2 3.72Å; F444-F452 HydrophobicContact CZ-CE2 3.72Å; F444-F452 HydrophobicContact CZ-CZ 4.38Å; R448-F452 WeakPolarHBondContact O-CG 3.32Å; R448-F452 PolarHBondContact O-N 3.48Å; L449-F452 PolarHBondContact O-N 3.31Å; L449-F452 VanDerWaalsContact O-N 3.17Å; A450-F452 VanDerWaalsContact C-N 3.35Å; A450-F452 PolarHBondContact O-N 2.92Å; F452-V454 VanDerWaalsContact C-N 3.33Å; F452-L455 PolarHBondContact O-N 3.14Å; F452-L456 VanDerWaalsContact O-CG 3.31Å; F452-L456 WeakPolarHBondContact O-CG 3.24Å; F452-L456 PolarHBondContact O-N 3.15Å; F452-L456 VanDerWaalsContact O-N 3.13Å; F452-Y552 HydrophobicContact CE2-CD1 4.24Å; F452-Y552 AromaticContact CZ-CD1 3.65Å; F452-Y552 HydrophobicContact CZ-CD1 3.65Å; F452-Y552 HydrophobicContact CZ-CE1 4.29Å; F452-L555 HydrophobicContact CD2-CD2 4.18Å; F452-L555 HydrophobicContact CD2-CG 4.34Å; F452-L555 HydrophobicContact CE2-CD2 3.7Å; F452-L555 HydrophobicContact CE2-CG 4.08Å; F452-L556 HydrophobicContact CD1-CD1 4.15Å; F452-L559 HydrophobicContact CB-CD1 3.87Å; F452-L559 HydrophobicContact CD2-CD1 3.94Å; F452-L559 HydrophobicContact CG-CD1 4.24Å
453G77.4Confident81Confident34 Ų3449 Ų4935%0.35126%0.261SS..Hα-helixtrans-56.8-50.3171.700000110.9L449 A450 L455 L456 M457L449-G453 PolarHBondContact O-N 3.23Å; L449-G453 VanDerWaalsContact O-N 3.11Å; A450-G453 PolarHBondContact O-N 3.25Å; G453-L455 PolarHBondContact O-N 3Å; G453-L456 PolarHBondContact O-N 2.99Å; G453-M457 WeakPolarHBondContact O-CG 3.43Å; G453-M457 PolarHBondContact O-N 3.2Å
454V79.7Confident81.1Confident25 Ų2548.2 Ų48.215%0.15225%0.254CS..Hα-helixtrans-56.4-46.7175.6161.70000111.9F162 I163 A450 L451 F452 L456 M457 P458F162-V454 HydrophobicContact CE1-CG2 4.11Å; F162-V454 HydrophobicContact CZ-CG2 4.36Å; I163-V454 HydrophobicContact CB-CG1 4.42Å; I163-V454 HydrophobicContact CD1-CB 4.26Å; I163-V454 HydrophobicContact CD1-CG1 3.71Å; I163-V454 WeakPolarHBondContact CD1-O 3.49Å; I163-V454 HydrophobicContact CG1-CB 4.45Å; I163-V454 HydrophobicContact CG1-CG1 3.77Å; I163-V454 HydrophobicContact CG1-CG2 4.41Å; I163-V454 HydrophobicContact CG2-CG1 3.87Å; A450-V454 WeakPolarHBondContact O-CG2 3.07Å; A450-V454 PolarHBondContact O-N 3.12Å; L451-V454 WeakPolarHBondContact O-CB 3.3Å; L451-V454 PolarHBondContact O-N 3.41Å; F452-V454 VanDerWaalsContact C-N 3.33Å; V454-L456 VanDerWaalsContact C-N 3.3Å; V454-L456 PolarHBondContact O-N 2.81Å; V454-M457 PolarHBondContact O-N 3.02Å; V454-P458 WeakPolarHBondContact O-CD 3.19Å
455L82.9Confident81.2Confident90 Ų9052 Ų5247%0.47127%0.274SS..Hα-helixtrans-64.6-31-177.9-176.763000113.4L451 F452 G453 P458 L556L451-L455 WeakPolarHBondContact O-CB 3.14Å; L451-L455 PolarHBondContact O-N 3.25Å; F452-L455 PolarHBondContact O-N 3.14Å; G453-L455 PolarHBondContact O-N 3Å; L455-P458 WeakPolarHBondContact O-CD 3.45Å; L455-L556 HydrophobicContact CD2-CD1 3.99Å; L455-L556 HydrophobicContact CD2-CD2 4.03Å
456L85Confident81.5Confident11 Ų1156.9 Ų56.96%0.05830%0.298CS..Hα-helixtrans-84.7-18.2-177.1-68.4171000113.7F452 G453 V454 I459 Q460 L556 L559 F560F452-L456 VanDerWaalsContact O-CG 3.31Å; F452-L456 WeakPolarHBondContact O-CG 3.24Å; F452-L456 PolarHBondContact O-N 3.15Å; F452-L456 VanDerWaalsContact O-N 3.13Å; G453-L456 PolarHBondContact O-N 2.99Å; V454-L456 VanDerWaalsContact C-N 3.3Å; V454-L456 PolarHBondContact O-N 2.81Å; L456-I459 HydrophobicContact CD2-CD1 4.09Å; L456-I459 WeakPolarHBondContact O-CB 3.49Å; L456-I459 PolarHBondContact O-N 3.38Å; L456-Q460 PolarHBondContact O-N 2.9Å; L456-Q460 VanDerWaalsContact O-N 3.12Å; L456-L556 HydrophobicContact CD2-CD1 4.23Å; L456-L556 HydrophobicContact CG-CD1 4.44Å; L456-L559 HydrophobicContact CD1-CB 3.48Å; L456-L559 VanDerWaalsContact CD1-CB 3.48Å; L456-F560 HydrophobicContact CD2-CB 3.98Å; L456-F560 HydrophobicContact CD2-CD2 3.96Å; L456-F560 HydrophobicContact CD2-CG 4.47Å
457M79.7Confident82Confident30 Ų3053.2 Ų53.215%0.14828%0.283CS..Hα-helixtrans-63.3-40.3-177.5-67.4164.3-179.300114.4Y158 V159 F162 I163 G453 V454 I459 Q460 A461Y158-M457 HydrophobicContact CD1-SD 4.09Å; Y158-M457 HydrophobicContact CE1-CE 3.67Å; Y158-M457 HydrophobicContact CE1-SD 3.56Å; Y158-M457 VanDerWaalsContact CE1-SD 3.56Å; V159-M457 HydrophobicContact CG2-CB 3.5Å; V159-M457 VanDerWaalsContact CG2-CB 3.5Å; F162-M457 HydrophobicContact CD1-CE 4.37Å; F162-M457 HydrophobicContact CD1-SD 4.22Å; F162-M457 HydrophobicContact CE1-CE 4.17Å; F162-M457 HydrophobicContact CE1-SD 4.48Å; I163-M457 HydrophobicContact CD1-CB 3.96Å; I163-M457 HydrophobicContact CD1-CG 4.46Å; I163-M457 HydrophobicContact CD1-SD 3.74Å; I163-M457 HydrophobicContact CG1-SD 4.34Å; G453-M457 WeakPolarHBondContact O-CG 3.43Å; G453-M457 PolarHBondContact O-N 3.2Å; V454-M457 PolarHBondContact O-N 3.02Å; M457-I459 PolarHBondContact O-N 3.46Å; M457-Q460 WeakPolarHBondContact O-CB 3.45Å; M457-Q460 PolarHBondContact O-N 3.12Å; M457-A461 PolarHBondContact O-N 2.95Å
458P81.3Confident82.5Confident54 Ų5446.9 Ų46.935%0.35125%0.253SS..Hα-helixtrans-59.6-36.5174.3-24.934.5000112.8V159 V454 L455 Q460 A461 I462V159-P458 HydrophobicContact CG1-CG 4.35Å; V454-P458 WeakPolarHBondContact O-CD 3.19Å; L455-P458 WeakPolarHBondContact O-CD 3.45Å; P458-Q460 VanDerWaalsContact C-N 3.33Å; P458-A461 WeakPolarHBondContact O-CB 3.43Å; P458-A461 PolarHBondContact O-N 3.47Å; P458-I462 PolarHBondContact O-N 3.09Å
459I82.4Confident82.4Confident53 Ų5352.8 Ų52.827%0.27228%0.276SS..Hα-helixtrans-64.7-40.5175.4-69.4149.4000110.1L456 M457 A461 I462 L463 F560L456-I459 HydrophobicContact CD2-CD1 4.09Å; L456-I459 WeakPolarHBondContact O-CB 3.49Å; L456-I459 PolarHBondContact O-N 3.38Å; M457-I459 PolarHBondContact O-N 3.46Å; I459-A461 PolarHBondContact O-N 3.44Å; I459-I462 PolarHBondContact O-N 3Å; I459-L463 WeakPolarHBondContact O-CB 3.23Å; I459-L463 PolarHBondContact O-N 2.98Å; I459-F560 HydrophobicContact CB-CE2 4.36Å; I459-F560 HydrophobicContact CD1-CD2 3.76Å; I459-F560 HydrophobicContact CD1-CE2 3.64Å; I459-F560 HydrophobicContact CG1-CE2 4.06Å; I459-F560 HydrophobicContact CG2-CD2 4.16Å; I459-F560 HydrophobicContact CG2-CE2 3.53Å; I459-F560 HydrophobicContact CG2-CZ 4.24Å
460Q79.3Confident82.4Confident62 Ų6260.6 Ų60.629%0.2930%0.303SS..Hα-helixtrans-62.4-26.4175.5-66.5175.3-200113.3T155 L456 M457 P458 P464 S563T155-Q460 HydrophobicContact CG2-CB 4.11Å; L456-Q460 PolarHBondContact O-N 2.9Å; L456-Q460 VanDerWaalsContact O-N 3.12Å; M457-Q460 WeakPolarHBondContact O-CB 3.45Å; M457-Q460 PolarHBondContact O-N 3.12Å; P458-Q460 VanDerWaalsContact C-N 3.33Å; Q460-P464 WeakPolarHBondContact O-CD 3.1Å; Q460-P464 VanDerWaalsContact O-CG 3.29Å; Q460-P464 WeakPolarHBondContact O-CG 3.43Å; Q460-S563 VanDerWaalsContact CG-OG 3.25Å; Q460-S563 WeakPolarHBondContact CG-OG 3.33Å; Q460-S563 PolarHBondContact NE2-OG 3.44Å
461A79.5Confident82.8Confident8 Ų859.1 Ų59.17%0.06629%0.291CS..Hα-helixtrans-76.1-40.6174.500000112.4V152 T155 I156 M457 P458 I459V152-A461 WeakPolarHBondContact CG1-O 3.29Å; T155-A461 HydrophobicContact CG2-CB 3.81Å; I156-A461 HydrophobicContact CG1-CB 3.82Å; M457-A461 PolarHBondContact O-N 2.95Å; P458-A461 WeakPolarHBondContact O-CB 3.43Å; P458-A461 PolarHBondContact O-N 3.47Å; I459-A461 PolarHBondContact O-N 3.44Å
462I85.9Confident82.4Confident101 Ų10156.4 Ų56.452%0.51828%0.277SS..Hα-helixtrans-78.3-40.1-176.2-64.1169000111P458 I459 L465 L466P458-I462 PolarHBondContact O-N 3.09Å; I459-I462 PolarHBondContact O-N 3Å; I462-L465 WeakPolarHBondContact O-CB 3.3Å; I462-L465 PolarHBondContact O-N 3.42Å; I462-L465 VanDerWaalsContact O-N 3.1Å; I462-L466 HydrophobicContact CG2-CD1 4.11Å; I462-L466 HydrophobicContact CG2-CG 4.31Å; I462-L466 PolarHBondContact O-N 2.99Å
463L84.1Confident82.1Confident24 Ų2457 Ų5713%0.12629%0.289CS..Hα-helixtrans-58-46.9-170177.270.2000113.8I459 L465 L466 I467 T564I459-L463 WeakPolarHBondContact O-CB 3.23Å; I459-L463 PolarHBondContact O-N 2.98Å; L463-L465 VanDerWaalsContact C-N 3.26Å; L463-L465 PolarHBondContact O-N 3.13Å; L463-L466 WeakPolarHBondContact O-CB 3.28Å; L463-L466 PolarHBondContact O-N 3.23Å; L463-I467 HydrophobicContact CD1-CG2 4.05Å; L463-I467 HydrophobicContact CG-CG2 4.49Å; L463-I467 WeakPolarHBondContact O-CG1 3.23Å; L463-I467 PolarHBondContact O-N 3.47Å; L463-I467 VanDerWaalsContact O-N 3.13Å; L463-T564 HydrophobicContact CD1-CG2 3.92Å; L463-T564 HydrophobicContact CD2-CG2 3.44Å; L463-T564 VanDerWaalsContact CD2-CG2 3.44Å; L463-T564 HydrophobicContact CG-CG2 4.31Å
464P83.4Confident82.2Confident0 Ų060.6 Ų60.60%031%0.306CS..Hα-helixtrans-52.3-43.1175.6-27.834.7000112.6V151 V152 Q460 L466 I467 T468 V571V151-P464 HydrophobicContact CG1-CB 4.42Å; V151-P464 HydrophobicContact CG1-CG 3.74Å; V152-P464 HydrophobicContact CG2-CB 3.5Å; V152-P464 HydrophobicContact CG2-CG 4Å; Q460-P464 WeakPolarHBondContact O-CD 3.1Å; Q460-P464 VanDerWaalsContact O-CG 3.29Å; Q460-P464 WeakPolarHBondContact O-CG 3.43Å; P464-L466 PolarHBondContact O-N 2.95Å; P464-I467 VanDerWaalsContact O-CG1 3.31Å; P464-I467 WeakPolarHBondContact O-CG1 3.46Å; P464-I467 PolarHBondContact O-N 3.37Å; P464-I467 VanDerWaalsContact O-N 3.13Å; P464-T468 PolarHBondContact O-N 3.06Å; P464-T468 PolarHBondContact O-OG1 3.33Å; P464-V571 HydrophobicContact CB-CG2 3.73Å; P464-V571 HydrophobicContact CG-CG2 3.97Å
465L86.5Confident82.5Confident83 Ų8366.5 Ų66.544%0.43533%0.325SS..Hα-helixtrans-60.3-32.9179.6-63.1173.4000112.8M1 T148 V152 I462 L463M1-L465 HydrophobicContact CE-CD2 4.27Å; T148-L465 HydrophobicContact CG2-CD2 3.85Å; V152-L465 HydrophobicContact CB-CD2 4.41Å; V152-L465 HydrophobicContact CG1-CD1 4.05Å; V152-L465 HydrophobicContact CG1-CD2 4.09Å; V152-L465 HydrophobicContact CG1-CG 4Å; V152-L465 HydrophobicContact CG2-CD2 3.85Å; V152-L465 HydrophobicContact CG2-CG 3.79Å; I462-L465 WeakPolarHBondContact O-CB 3.3Å; I462-L465 PolarHBondContact O-N 3.42Å; I462-L465 VanDerWaalsContact O-N 3.1Å; L463-L465 VanDerWaalsContact C-N 3.26Å; L463-L465 PolarHBondContact O-N 3.13Å
466L87Confident82.8Confident112 Ų11262.5 Ų62.559%0.58631%0.305SS*.Hα-helixtrans-76.1-37.7178.2-59.9178.1000111.5I462 L463 P464 W470I462-L466 HydrophobicContact CG2-CD1 4.11Å; I462-L466 HydrophobicContact CG2-CG 4.31Å; I462-L466 PolarHBondContact O-N 2.99Å; L463-L466 WeakPolarHBondContact O-CB 3.28Å; L463-L466 PolarHBondContact O-N 3.23Å; P464-L466 PolarHBondContact O-N 2.95Å; L466-W470 WeakPolarHBondContact O-CZ3 3.45Å
467I86Confident83.1Confident19 Ų1962 Ų6210%0.09730%0.302CS..Hα-helixtrans-90.2-14.4-17465175.6000114.4L463 P464 R469 W470 T471 I568L463-I467 HydrophobicContact CD1-CG2 4.05Å; L463-I467 HydrophobicContact CG-CG2 4.49Å; L463-I467 WeakPolarHBondContact O-CG1 3.23Å; L463-I467 PolarHBondContact O-N 3.47Å; L463-I467 VanDerWaalsContact O-N 3.13Å; P464-I467 VanDerWaalsContact O-CG1 3.31Å; P464-I467 WeakPolarHBondContact O-CG1 3.46Å; P464-I467 PolarHBondContact O-N 3.37Å; P464-I467 VanDerWaalsContact O-N 3.13Å; I467-R469 PolarHBondContact O-N 3.5Å; I467-W470 HydrophobicContact CB-CE3 4.44Å; I467-W470 PolarHBondContact O-N 2.99Å; I467-T471 HydrophobicContact CB-CG2 4.2Å; I467-T471 HydrophobicContact CD1-CG2 3.96Å; I467-T471 HydrophobicContact CG1-CG2 3.98Å; I467-T471 PolarHBondContact O-N 2.85Å; I467-T471 VanDerWaalsContact O-N 3.08Å; I467-I568 HydrophobicContact CD1-CB 4.04Å; I467-I568 HydrophobicContact CD1-CG1 3.39Å; I467-I568 HydrophobicContact CG2-CG1 4.46Å
468T83.3Confident83.7Confident0 Ų061.3 Ų61.30%030%0.302CS..Hα-helixtrans-50.3-38.8-171.5-59.60000113.7W145 T148 P464 W470 T471 N472W145-T468 HydrophobicContact CD2-CG2 3.85Å; W145-T468 HydrophobicContact CE3-CG2 3.56Å; W145-T468 HydrophobicContact CH2-CG2 3.77Å; W145-T468 HydrophobicContact CZ2-CG2 4.06Å; W145-T468 HydrophobicContact CZ3-CG2 3.51Å; T148-T468 HydrophobicContact CG2-CG2 4.27Å; T148-T468 WeakPolarHBondContact CG2-OG1 3.46Å; T148-T468 WeakPolarHBondContact OG1-CG2 3.17Å; T148-T468 PolarHBondContact OG1-OG1 2.99Å; P464-T468 PolarHBondContact O-N 3.06Å; P464-T468 PolarHBondContact O-OG1 3.33Å; T468-W470 PolarHBondContact O-N 2.94Å; T468-T471 VanDerWaalsContact CA-OG1 3.3Å; T468-T471 WeakPolarHBondContact CA-OG1 3.25Å; T468-T471 PolarHBondContact O-N 2.83Å; T468-T471 PolarHBondContact O-OG1 3.16Å; T468-N472 WeakPolarHBondContact CG2-ND2 3.41Å; T468-N472 WeakPolarHBondContact O-CB 3.15Å; T468-N472 PolarHBondContact O-N 2.93Å; T468-N472 VanDerWaalsContact O-N 3.08Å
469R82.6Confident84.2Confident217 Ų21760.9 Ų60.982%0.81930%0.299SS*.Hα-helixtrans-62.8-31.9-179.8-69.3-174.2177.8-178.70.1112.7I467I467-R469 PolarHBondContact O-N 3.5Å
470W81.5Confident84.7Confident194 Ų19458.6 Ų58.674%0.73529%0.287SS*.Hα-helixtrans-90.8-25.9178.5-59-64.6000112.7L466 I467 T468L466-W470 WeakPolarHBondContact O-CZ3 3.45Å; I467-W470 HydrophobicContact CB-CE3 4.44Å; I467-W470 PolarHBondContact O-N 2.99Å; T468-W470 PolarHBondContact O-N 2.94Å
471T83.2Confident85.4Confident2 Ų255.7 Ų55.71%0.01227%0.273CS..Hα-helixtrans-82.5-25.8-179.8590000113.6I467 T468 G473 I568 V571 V572I467-T471 HydrophobicContact CB-CG2 4.2Å; I467-T471 HydrophobicContact CD1-CG2 3.96Å; I467-T471 HydrophobicContact CG1-CG2 3.98Å; I467-T471 PolarHBondContact O-N 2.85Å; I467-T471 VanDerWaalsContact O-N 3.08Å; T468-T471 VanDerWaalsContact CA-OG1 3.3Å; T468-T471 WeakPolarHBondContact CA-OG1 3.25Å; T468-T471 PolarHBondContact O-N 2.83Å; T468-T471 PolarHBondContact O-OG1 3.16Å; T471-G473 PolarHBondContact O-N 2.74Å; T471-I568 HydrophobicContact CG2-CG2 4.3Å; T471-V571 HydrophobicContact CG2-CG1 4.44Å; T471-V572 HydrophobicContact CG2-CG2 3.69Å
472N75Confident86Confident46 Ų4660.3 Ų60.325%0.24630%0.296CS..SBendtrans-8628.2-177.1-71.7-12.7000114.1G144 W145 T468G144-N472 PolarHBondContact O-ND2 3.07Å; G144-N472 PolarHBondContact O-OD1 3.28Å; W145-N472 PolarHBondContact N-ND2 2.78Å; T468-N472 WeakPolarHBondContact CG2-ND2 3.41Å; T468-N472 WeakPolarHBondContact O-CB 3.15Å; T468-N472 PolarHBondContact O-N 2.93Å; T468-N472 VanDerWaalsContact O-N 3.08Å
473G78.1Confident86.3Confident32 Ų3256 Ų5633%0.3328%0.275SS..SBendtrans-69172.4176.200000113.4T471 R475T471-G473 PolarHBondContact O-N 2.74Å; G473-R475 PolarHBondContact O-N 3.09Å
474P80.1Confident86.8Confident110 Ų11054.9 Ų54.971%0.71427%0.269SS*.SBendtrans-64-22178.326.1-34.4000113.4P476 K579P474-P476 WeakPolarHBondContact O-CD 3.22Å; P474-K579 PolarHBondContact O-NZ 3.11Å
475R86.3Confident87.3Confident149 Ų14957.5 Ų57.556%0.56228%0.283SS*.  trans-120.676.1-175.7-69.6-175.2173.61600.8111.7G473 D727 N728G473-R475 PolarHBondContact O-N 3.09Å; R475-D727 VanDerWaalsContact CA-OD2 3.3Å; R475-D727 WeakPolarHBondContact CA-OD2 3.45Å; R475-D727 WeakPolarHBondContact CB-OD2 3.45Å; R475-D727 HydrophobicContact CG-CB 4.39Å; R475-N728 PolarHBondContact NE-OD1 3.46Å; R475-N728 PolarHBondContact NH2-OD1 3.14Å
476P89Confident87.6Confident5 Ų556.2 Ų56.23%0.03228%0.28CS..Hα-helixtrans-63.1-46.7179.826.3-34.9000111.8P474 G478 V479 F480 V572 F576 D727P474-P476 WeakPolarHBondContact O-CD 3.22Å; P476-G478 PolarHBondContact O-N 3.32Å; P476-V479 WeakPolarHBondContact O-CB 3.23Å; P476-V479 PolarHBondContact O-N 2.99Å; P476-F480 PolarHBondContact O-N 3.44Å; P476-V572 HydrophobicContact CB-CG1 3.75Å; P476-V572 WeakPolarHBondContact O-CG1 3.26Å; P476-F576 HydrophobicContact CB-CB 4.21Å; P476-F576 HydrophobicContact CG-CB 3.93Å; P476-F576 HydrophobicContact CG-CD2 3.73Å; P476-F576 HydrophobicContact CG-CG 4.3Å; P476-D727 WeakPolarHBondContact CD-OD1 3.46Å
477L91Very high87.9Confident1 Ų152 Ų521%0.00526%0.256CS..Hα-helixtrans-64-28.1-177-60.4172.7000113F417 L420 F480 I481 F576 A723 L726 D727F417-L477 HydrophobicContact CD2-CD1 4.42Å; F417-L477 HydrophobicContact CD2-CD2 4.09Å; F417-L477 HydrophobicContact CE2-CD2 3.64Å; L420-L477 HydrophobicContact CD2-CD2 4.29Å; L477-F480 WeakPolarHBondContact O-CB 3.42Å; L477-F480 PolarHBondContact O-N 3.42Å; L477-I481 PolarHBondContact O-N 3.15Å; L477-F576 HydrophobicContact CD1-CD1 4.35Å; L477-F576 HydrophobicContact CD1-CD2 4.04Å; L477-F576 HydrophobicContact CD1-CE1 3.97Å; L477-F576 HydrophobicContact CD1-CE2 3.61Å; L477-F576 HydrophobicContact CD1-CG 4.38Å; L477-F576 HydrophobicContact CD1-CZ 3.58Å; L477-F576 HydrophobicContact CD2-CB 4.38Å; L477-F576 HydrophobicContact CD2-CD1 3.98Å; L477-F576 HydrophobicContact CD2-CD2 4.32Å; L477-F576 HydrophobicContact CD2-CE1 4.33Å; L477-F576 HydrophobicContact CD2-CG 3.97Å; L477-F576 HydrophobicContact CG-CD1 4.31Å; L477-F576 HydrophobicContact CG-CD2 3.85Å; L477-F576 HydrophobicContact CG-CE1 4.42Å; L477-F576 HydrophobicContact CG-CE2 3.96Å; L477-F576 HydrophobicContact CG-CG 4.02Å; L477-F576 HydrophobicContact CG-CZ 4.25Å; L477-A723 HydrophobicContact CB-CB 4.02Å; L477-L726 HydrophobicContact CD1-CB 3.46Å; L477-L726 VanDerWaalsContact CD1-CB 3.46Å; L477-L726 HydrophobicContact CD1-CD1 4.22Å; L477-L726 HydrophobicContact CD1-CG 4.5Å; L477-D727 WeakPolarHBondContact CA-OD2 3.47Å; L477-D727 VanDerWaalsContact CB-CG 3.49Å; L477-D727 VanDerWaalsContact CB-OD1 3.26Å; L477-D727 WeakPolarHBondContact CB-OD1 3.06Å; L477-D727 WeakPolarHBondContact CG-OD1 3.31Å; L477-D727 PolarHBondContact N-OD1 2.94Å; L477-D727 PolarHBondContact N-OD2 2.8Å
478G91.4Very high88.3Confident15 Ų1551.2 Ų51.216%0.15525%0.252CS..Hα-helixtrans-58.1-47.5169.900000112.2P476 F480 I481 I482 D727P476-G478 PolarHBondContact O-N 3.32Å; G478-F480 VanDerWaalsContact C-N 3.33Å; G478-I481 PolarHBondContact O-N 2.97Å; G478-I482 WeakPolarHBondContact O-CB 3.28Å; G478-I482 WeakPolarHBondContact O-CD1 3.5Å; G478-I482 VanDerWaalsContact O-CG1 3.23Å; G478-I482 WeakPolarHBondContact O-CG1 3.36Å; G478-I482 PolarHBondContact O-N 2.93Å; G478-D727 PolarHBondContact N-OD2 2.79Å
479V92Very high88.7Confident45 Ų4555.8 Ų55.827%0.27328%0.276SS..Hα-helixtrans-64.7-40175.3-176.90000110.8P476 I481 I482 A483 I568 V572P476-V479 WeakPolarHBondContact O-CB 3.23Å; P476-V479 PolarHBondContact O-N 2.99Å; V479-I481 PolarHBondContact O-N 3.33Å; V479-I482 PolarHBondContact O-N 3.5Å; V479-A483 VanDerWaalsContact O-CB 3.32Å; V479-A483 WeakPolarHBondContact O-CB 3.29Å; V479-A483 PolarHBondContact O-N 2.78Å; V479-I568 HydrophobicContact CG1-CG2 4.37Å; V479-V572 HydrophobicContact CB-CG1 4.34Å; V479-V572 HydrophobicContact CB-CG2 4.17Å; V479-V572 HydrophobicContact CG1-CG2 3.89Å
480F92.8Very high89.3Confident5 Ų546.2 Ų46.22%0.02224%0.242CC..Hα-helixtrans-58.8-48.2178.5-178.5-94.9000112.2L421 V424 P476 L477 G478 A483 F484 M569 V572 Q573L421-F480 HydrophobicContact CD2-CE1 4.01Å; L421-F480 HydrophobicContact CD2-CE2 4.33Å; L421-F480 HydrophobicContact CD2-CZ 3.63Å; V424-F480 HydrophobicContact CB-CE1 4.47Å; V424-F480 HydrophobicContact CG1-CE1 4.19Å; V424-F480 HydrophobicContact CG1-CZ 4.14Å; V424-F480 HydrophobicContact CG2-CE1 4.12Å; P476-F480 PolarHBondContact O-N 3.44Å; L477-F480 WeakPolarHBondContact O-CB 3.42Å; L477-F480 PolarHBondContact O-N 3.42Å; G478-F480 VanDerWaalsContact C-N 3.33Å; F480-A483 PolarHBondContact O-N 3.29Å; F480-F484 PolarHBondContact O-N 2.9Å; F480-M569 HydrophobicContact CD1-CE 4.43Å; F480-M569 HydrophobicContact CD2-CB 3.83Å; F480-M569 HydrophobicContact CD2-CE 4.15Å; F480-M569 HydrophobicContact CD2-CG 4.2Å; F480-M569 WeakPolarHBondContact CD2-O 3.41Å; F480-M569 HydrophobicContact CE1-CE 3.93Å; F480-M569 HydrophobicContact CE2-CB 3.76Å; F480-M569 HydrophobicContact CE2-CE 3.63Å; F480-M569 HydrophobicContact CE2-CG 4.31Å; F480-M569 HydrophobicContact CZ-CE 3.49Å; F480-M569 VanDerWaalsContact CZ-CE 3.49Å; F480-V572 HydrophobicContact CB-CG1 3.79Å; F480-Q573 HydrophobicContact CD2-CB 4.42Å; F480-Q573 HydrophobicContact CE2-CB 4.28Å
481I93.8Very high89.6Confident1 Ų137 Ų371%0.00521%0.207CC..Hα-helixtrans-73.5-35.3179.6-69.1-51.9000111.9L420 V424 L477 G478 V479 A483 F484 Y715 L719 Y720 A723L420-I481 HydrophobicContact CD1-CD1 4.24Å; L420-I481 HydrophobicContact CG-CD1 4.45Å; V424-I481 HydrophobicContact CG2-CD1 4.06Å; L477-I481 PolarHBondContact O-N 3.15Å; G478-I481 PolarHBondContact O-N 2.97Å; V479-I481 PolarHBondContact O-N 3.33Å; I481-A483 VanDerWaalsContact C-N 3.3Å; I481-A483 PolarHBondContact O-N 3.47Å; I481-F484 WeakPolarHBondContact O-CB 3.22Å; I481-F484 PolarHBondContact O-N 2.98Å; I481-Y715 HydrophobicContact CG2-CD2 3.98Å; I481-Y715 HydrophobicContact CG2-CE2 3.37Å; I481-Y715 WeakPolarHBondContact O-CE2 3.46Å; I481-L719 HydrophobicContact CD1-CB 4.11Å; I481-Y720 HydrophobicContact CG2-CD2 4.1Å; I481-A723 HydrophobicContact CB-CB 4.24Å; I481-A723 HydrophobicContact CD1-CB 4.47Å; I481-A723 HydrophobicContact CG1-CB 3.37Å
482I92.6Very high90Very high105 Ų10538.9 Ų38.954%0.53822%0.22SC..Hα-helixtrans-61.9-40.8172.2-69.5167.3000110.8G478 V479 F484 L485 P486G478-I482 WeakPolarHBondContact O-CB 3.28Å; G478-I482 WeakPolarHBondContact O-CD1 3.5Å; G478-I482 VanDerWaalsContact O-CG1 3.23Å; G478-I482 WeakPolarHBondContact O-CG1 3.36Å; G478-I482 PolarHBondContact O-N 2.93Å; V479-I482 PolarHBondContact O-N 3.5Å; I482-F484 VanDerWaalsContact C-N 3.33Å; I482-F484 PolarHBondContact O-N 3.43Å; I482-L485 PolarHBondContact O-N 2.94Å; I482-P486 WeakPolarHBondContact O-CD 3.46Å
483A93.2Very high90.8Very high11 Ų1140.7 Ų40.79%0.09123%0.229CC..Hα-helixtrans-69.4-26.7177.300000113.6V479 F480 I481 L485 P486 R487 I565 I568 M569V479-A483 VanDerWaalsContact O-CB 3.32Å; V479-A483 WeakPolarHBondContact O-CB 3.29Å; V479-A483 PolarHBondContact O-N 2.78Å; F480-A483 PolarHBondContact O-N 3.29Å; I481-A483 VanDerWaalsContact C-N 3.3Å; I481-A483 PolarHBondContact O-N 3.47Å; A483-L485 VanDerWaalsContact C-N 3.31Å; A483-L485 PolarHBondContact O-N 3.35Å; A483-P486 WeakPolarHBondContact O-CD 3.34Å; A483-R487 PolarHBondContact O-N 3.06Å; A483-I565 HydrophobicContact CB-CG2 4.27Å; A483-I565 WeakPolarHBondContact O-CG2 3.42Å; A483-I568 HydrophobicContact CB-CG2 4.18Å; A483-M569 HydrophobicContact CB-CG 3.8Å
484F93.8Very high91.4Very high0 Ų039.1 Ų39.10%021%0.213CC..Hα-helixtrans-59.7-38.5176.2170.3-103.2000112.7V424 C427 L428 F480 I481 I482 R487 L488 M569 Y715 L719V424-F484 HydrophobicContact CB-CD2 4.27Å; V424-F484 HydrophobicContact CB-CE2 4.22Å; V424-F484 HydrophobicContact CG1-CD2 3.61Å; V424-F484 HydrophobicContact CG1-CE2 3.85Å; V424-F484 HydrophobicContact CG2-CD2 4.02Å; V424-F484 HydrophobicContact CG2-CE2 4.14Å; V424-F484 HydrophobicContact CG2-CG 4.37Å; C427-F484 HydrophobicContact CB-CE2 4.01Å; C427-F484 HydrophobicContact CB-CZ 3.76Å; L428-F484 HydrophobicContact CD1-CD2 4.01Å; L428-F484 HydrophobicContact CD1-CE2 3.95Å; L428-F484 HydrophobicContact CD2-CE2 4.38Å; L428-F484 HydrophobicContact CG-CE2 3.99Å; F480-F484 PolarHBondContact O-N 2.9Å; I481-F484 WeakPolarHBondContact O-CB 3.22Å; I481-F484 PolarHBondContact O-N 2.98Å; I482-F484 VanDerWaalsContact C-N 3.33Å; I482-F484 PolarHBondContact O-N 3.43Å; F484-R487 WeakPolarHBondContact O-CB 3.35Å; F484-R487 PolarHBondContact O-N 3.3Å; F484-L488 HydrophobicContact CE1-CD2 4.25Å; F484-L488 HydrophobicContact CZ-CD1 4.27Å; F484-L488 HydrophobicContact CZ-CD2 4.35Å; F484-L488 WeakPolarHBondContact O-CB 3.41Å; F484-L488 PolarHBondContact O-N 3.01Å; F484-M569 HydrophobicContact CB-CE 4.12Å; F484-M569 HydrophobicContact CD2-CE 4.34Å; F484-Y715 AromaticContact CD1-CD2 3.78Å; F484-Y715 HydrophobicContact CD1-CD2 3.78Å; F484-Y715 HydrophobicContact CD1-CE2 4.39Å; F484-Y715 HydrophobicContact CE1-CD2 4.22Å; F484-L719 HydrophobicContact CD1-CD1 4.17Å; F484-L719 HydrophobicContact CE1-CD1 3.7Å; F484-L719 HydrophobicContact CZ-CD1 4.04Å
485L93.4Very high92Very high55 Ų5536.3 Ų36.329%0.28819%0.192SC..Hα-helixtrans-65.9-50.9-176.9179.767.2000112.7I482 A483 R487 L488 L489 L712 Y715I482-L485 PolarHBondContact O-N 2.94Å; A483-L485 VanDerWaalsContact C-N 3.31Å; A483-L485 PolarHBondContact O-N 3.35Å; L485-R487 VanDerWaalsContact C-N 3.25Å; L485-R487 PolarHBondContact O-N 3.26Å; L485-L488 WeakPolarHBondContact O-CB 3.34Å; L485-L488 PolarHBondContact O-N 2.89Å; L485-L489 WeakPolarHBondContact O-CG 3.43Å; L485-L489 PolarHBondContact O-N 3.44Å; L485-L712 HydrophobicContact CD1-CD2 4.07Å; L485-Y715 HydrophobicContact CB-CE2 4.23Å; L485-Y715 HydrophobicContact CD2-CE1 4.34Å
486P94.3Very high92.4Very high57 Ų5731.8 Ų31.837%0.3718%0.182SC..Hα-helixtrans-55.2-37.7169.4-27.535000113.5I482 A483 L489 V490 I565I482-P486 WeakPolarHBondContact O-CD 3.46Å; A483-P486 WeakPolarHBondContact O-CD 3.34Å; P486-L489 PolarHBondContact O-N 3.27Å; P486-V490 WeakPolarHBondContact O-CG2 3.44Å; P486-V490 PolarHBondContact O-N 3.15Å; P486-I565 HydrophobicContact CB-CD1 3.84Å
487R93.8Very high92.6Very high24 Ų2432.9 Ų32.99%0.09119%0.187CC..Hα-helixtrans-63.4-44.4176.9-165.6171174.8168.10.8111.3L428 E432 A483 F484 L485 L489 V490 T491 Y562 I565 S566 M569L428-R487 HydrophobicContact CD1-CG 4.18Å; L428-R487 HydrophobicContact CD2-CG 4.09Å; E432-R487 IonicContact OE1-CZ 3.8Å; E432-R487 IonicContact OE1-NH2 3.84Å; E432-R487 PolarHBondContact OE1-NH2 2.61Å; A483-R487 PolarHBondContact O-N 3.06Å; F484-R487 WeakPolarHBondContact O-CB 3.35Å; F484-R487 PolarHBondContact O-N 3.3Å; L485-R487 VanDerWaalsContact C-N 3.25Å; L485-R487 PolarHBondContact O-N 3.26Å; R487-L489 VanDerWaalsContact C-N 3.31Å; R487-L489 PolarHBondContact O-N 3.04Å; R487-V490 PolarHBondContact O-N 2.95Å; R487-T491 VanDerWaalsContact O-CB 3.24Å; R487-T491 WeakPolarHBondContact O-CB 3.36Å; R487-T491 PolarHBondContact O-N 2.87Å; R487-T491 PolarHBondContact O-OG1 3.45Å; R487-T491 VanDerWaalsContact O-OG1 3.06Å; R487-Y562 HydrophobicContact CG-CD2 4.36Å; R487-Y562 HydrophobicContact CG-CE2 3.81Å; R487-Y562 PolarHBondContact NE-OH 3.35Å; R487-Y562 VanDerWaalsContact NE-OH 3.09Å; R487-Y562 PolarHBondContact NH2-OH 3.3Å; R487-I565 HydrophobicContact CB-CB 4.48Å; R487-I565 HydrophobicContact CB-CG2 3.68Å; R487-I565 HydrophobicContact CG-CG2 4.31Å; R487-S566 PolarHBondContact NH1-OG 3.44Å; R487-S566 PolarHBondContact NH2-OG 3.06Å; R487-S566 VanDerWaalsContact NH2-OG 3.09Å; R487-M569 HydrophobicContact CB-SD 4.33Å; R487-M569 WeakPolarHBondContact CD-SD 3.46Å; R487-M569 PolarHBondContact NH1-SD 3.16Å; R487-M569 VanDerWaalsContact NH1-SD 3.39Å
488L93.4Very high92.6Very high1 Ų132.8 Ų32.81%0.00519%0.187CC..Hα-helixtrans-61.6-38.9176.7-166.868.6000111.8C427 L428 F484 L485 T491 S492 V708 L712C427-L488 HydrophobicContact CB-CD1 4.3Å; L428-L488 HydrophobicContact CD2-CD1 4.14Å; F484-L488 HydrophobicContact CE1-CD2 4.25Å; F484-L488 HydrophobicContact CZ-CD1 4.27Å; F484-L488 HydrophobicContact CZ-CD2 4.35Å; F484-L488 WeakPolarHBondContact O-CB 3.41Å; F484-L488 PolarHBondContact O-N 3.01Å; L485-L488 WeakPolarHBondContact O-CB 3.34Å; L485-L488 PolarHBondContact O-N 2.89Å; L488-T491 VanDerWaalsContact O-CB 3.28Å; L488-T491 WeakPolarHBondContact O-CB 3.49Å; L488-T491 PolarHBondContact O-N 3.18Å; L488-S492 PolarHBondContact O-N 3.42Å; L488-V708 HydrophobicContact CD1-CG2 4.43Å; L488-V708 HydrophobicContact CG-CG1 4.44Å; L488-L712 HydrophobicContact CD2-CD2 3.85Å; L488-L712 HydrophobicContact CD2-CG 3.85Å
489L92.6Very high92.6Very high97 Ų9737.8 Ų37.851%0.50820%0.201SC..Hα-helixtrans-65.9-47.7175.4-67.6176.8000112.1L485 P486 R487 T491 S492L485-L489 WeakPolarHBondContact O-CG 3.43Å; L485-L489 PolarHBondContact O-N 3.44Å; P486-L489 PolarHBondContact O-N 3.27Å; R487-L489 VanDerWaalsContact C-N 3.31Å; R487-L489 PolarHBondContact O-N 3.04Å; L489-T491 PolarHBondContact O-N 3.39Å; L489-S492 WeakPolarHBondContact O-CB 3.27Å; L489-S492 PolarHBondContact O-N 3.43Å; L489-S492 VanDerWaalsContact O-N 3.07Å; L489-S492 PolarHBondContact O-OG 3.2Å
490V93.6Very high92.7Very high16 Ų1641.5 Ų41.510%0.09721%0.212CC..Hα-helixtrans-63.2-35.1176.3175.90000111P486 R487 S492 L493 K558 V561 Y562 I565P486-V490 WeakPolarHBondContact O-CG2 3.44Å; P486-V490 PolarHBondContact O-N 3.15Å; R487-V490 PolarHBondContact O-N 2.95Å; V490-S492 VanDerWaalsContact C-N 3.33Å; V490-S492 PolarHBondContact O-N 3.23Å; V490-L493 WeakPolarHBondContact O-CB 3.18Å; V490-L493 PolarHBondContact O-N 2.95Å; V490-K558 HydrophobicContact CG1-CG 4.2Å; V490-V561 HydrophobicContact CG2-CG1 3.68Å; V490-Y562 HydrophobicContact CG1-CD2 4.09Å; V490-I565 HydrophobicContact CG2-CD1 3.99Å
491T89.6Confident92.6Very high1 Ų141.3 Ų41.31%0.00621%0.211CC..Hα-helixtrans-57.9-43.5172-80.40000111.9L428 P431 R487 L488 L489 L493 T494 Y562 V708L428-T491 HydrophobicContact CD2-CG2 4.42Å; P431-T491 HydrophobicContact CB-CG2 3.67Å; P431-T491 HydrophobicContact CG-CG2 3.1Å; R487-T491 VanDerWaalsContact O-CB 3.24Å; R487-T491 WeakPolarHBondContact O-CB 3.36Å; R487-T491 PolarHBondContact O-N 2.87Å; R487-T491 PolarHBondContact O-OG1 3.45Å; R487-T491 VanDerWaalsContact O-OG1 3.06Å; L488-T491 VanDerWaalsContact O-CB 3.28Å; L488-T491 WeakPolarHBondContact O-CB 3.49Å; L488-T491 PolarHBondContact O-N 3.18Å; L489-T491 PolarHBondContact O-N 3.39Å; T491-L493 PolarHBondContact O-N 3.21Å; T491-T494 WeakPolarHBondContact O-CB 3.25Å; T491-T494 PolarHBondContact O-N 3.15Å; T491-T494 PolarHBondContact O-OG1 3.12Å; T491-Y562 WeakPolarHBondContact OG1-CE2 3.26Å; T491-V708 HydrophobicContact CG2-CG2 3.95Å
492S90.4Very high92.2Very high40 Ų4043.5 Ų43.528%0.2823%0.225SC..Hα-helixtrans-60.2-28.4178.2780000113.5L488 L489 V490 T494 I495 P496L488-S492 PolarHBondContact O-N 3.42Å; L489-S492 WeakPolarHBondContact O-CB 3.27Å; L489-S492 PolarHBondContact O-N 3.43Å; L489-S492 VanDerWaalsContact O-N 3.07Å; L489-S492 PolarHBondContact O-OG 3.2Å; V490-S492 VanDerWaalsContact C-N 3.33Å; V490-S492 PolarHBondContact O-N 3.23Å; S492-T494 PolarHBondContact O-N 3.3Å; S492-T494 VanDerWaalsContact O-N 3.12Å; S492-I495 PolarHBondContact O-N 2.98Å; S492-P496 WeakPolarHBondContact O-CD 3.46Å
493L92.2Very high92.1Very high84 Ų8446.5 Ų46.544%0.4423%0.231SC..THydrogen-bonded Turntrans-64.2-14.5174.9-59.6176000113.3V490 T491 I495 P496 I497V490-L493 WeakPolarHBondContact O-CB 3.18Å; V490-L493 PolarHBondContact O-N 2.95Å; T491-L493 PolarHBondContact O-N 3.21Å; L493-I495 VanDerWaalsContact C-N 3.26Å; L493-I495 PolarHBondContact O-N 2.84Å; L493-P496 VanDerWaalsContact O-CD 3.27Å; L493-P496 WeakPolarHBondContact O-CD 3.23Å; L493-P496 WeakPolarHBondContact O-CG 3.29Å; L493-I497 HydrophobicContact CB-CD1 4.32Å; L493-I497 WeakPolarHBondContact O-CB 3.37Å; L493-I497 WeakPolarHBondContact O-CD1 3.37Å; L493-I497 WeakPolarHBondContact O-CG1 3.33Å; L493-I497 PolarHBondContact O-N 3.09Å
494T91.2Very high91.9Very high0 Ų048.3 Ų48.30%024%0.237CC..Hα-helixtrans-59.3-37.9173.9-61.10000111.9P431 F435 T491 S492 V498 K558 F700P431-T494 HydrophobicContact CB-CG2 4.2Å; F435-T494 HydrophobicContact CB-CG2 3.99Å; F435-T494 HydrophobicContact CD2-CG2 3.39Å; F435-T494 HydrophobicContact CE2-CG2 4.04Å; F435-T494 HydrophobicContact CG-CG2 3.96Å; T491-T494 WeakPolarHBondContact O-CB 3.25Å; T491-T494 PolarHBondContact O-N 3.15Å; T491-T494 PolarHBondContact O-OG1 3.12Å; S492-T494 PolarHBondContact O-N 3.3Å; S492-T494 VanDerWaalsContact O-N 3.12Å; T494-V498 HydrophobicContact CG2-CG2 4.33Å; T494-V498 WeakPolarHBondContact O-CB 3.19Å; T494-V498 VanDerWaalsContact O-CG2 3.31Å; T494-V498 WeakPolarHBondContact O-CG2 3.44Å; T494-V498 PolarHBondContact O-N 3.38Å; T494-K558 WeakPolarHBondContact OG1-CE 3.33Å; T494-K558 PolarHBondContact OG1-NZ 2.76Å; T494-F700 HydrophobicContact CG2-CE2 4.46Å; T494-F700 HydrophobicContact CG2-CZ 3.8Å
495I92.7Very high91.5Very high51 Ų5152 Ų5226%0.26225%0.251SS..Hα-helixtrans-59.8-60.4179.2-65.5173.7000111.3S492 L493 I497 V498 Y499 Y701 V704S492-I495 PolarHBondContact O-N 2.98Å; L493-I495 VanDerWaalsContact C-N 3.26Å; L493-I495 PolarHBondContact O-N 2.84Å; I495-I497 VanDerWaalsContact C-N 3.35Å; I495-I497 PolarHBondContact O-N 3.44Å; I495-V498 PolarHBondContact O-N 3.24Å; I495-Y499 VanDerWaalsContact O-CB 3.3Å; I495-Y499 WeakPolarHBondContact O-CB 3.06Å; I495-Y499 PolarHBondContact O-N 3.29Å; I495-Y701 HydrophobicContact CB-CD1 4.38Å; I495-Y701 HydrophobicContact CG1-CD1 4.42Å; I495-Y701 HydrophobicContact CG2-CD1 3.84Å; I495-Y701 HydrophobicContact CG2-CE1 4.3Å; I495-V704 HydrophobicContact CD1-CB 4.38Å; I495-V704 HydrophobicContact CD1-CG1 3.96Å; I495-V704 HydrophobicContact CG1-CB 4.21Å; I495-V704 HydrophobicContact CG1-CG1 3.74Å
496P93.3Very high91Very high53 Ų5353.1 Ų53.134%0.34426%0.256SS..Hα-helixtrans-64.4-36.8-179.523.8-33.7000112.6S492 L493 V498 Y499 Y500S492-P496 WeakPolarHBondContact O-CD 3.46Å; L493-P496 VanDerWaalsContact O-CD 3.27Å; L493-P496 WeakPolarHBondContact O-CD 3.23Å; L493-P496 WeakPolarHBondContact O-CG 3.29Å; P496-V498 PolarHBondContact O-N 3.45Å; P496-Y499 PolarHBondContact O-N 3.49Å; P496-Y500 HydrophobicContact CB-CD2 4.26Å; P496-Y500 HydrophobicContact CB-CE2 4.36Å; P496-Y500 WeakPolarHBondContact O-CB 3.27Å; P496-Y500 WeakPolarHBondContact O-CD2 3.31Å; P496-Y500 PolarHBondContact O-N 3.28Å
497I92.7Very high89.8Confident28 Ų2855.1 Ų55.114%0.14426%0.263CS..Hα-helixtrans-60.5-49.1179.4-69.7169000110.8F435 L493 I495 T501 F551 L555 K558F435-I497 HydrophobicContact CE2-CG2 4.01Å; F435-I497 HydrophobicContact CZ-CG2 4.18Å; L493-I497 HydrophobicContact CB-CD1 4.32Å; L493-I497 WeakPolarHBondContact O-CB 3.37Å; L493-I497 WeakPolarHBondContact O-CD1 3.37Å; L493-I497 WeakPolarHBondContact O-CG1 3.33Å; L493-I497 PolarHBondContact O-N 3.09Å; I495-I497 VanDerWaalsContact C-N 3.35Å; I495-I497 PolarHBondContact O-N 3.44Å; I497-T501 PolarHBondContact O-N 3.48Å; I497-T501 VanDerWaalsContact O-N 3.1Å; I497-T501 PolarHBondContact O-OG1 3.21Å; I497-F551 HydrophobicContact CG2-CE2 4.21Å; I497-L555 HydrophobicContact CG2-CD1 4.43Å; I497-K558 HydrophobicContact CD1-CB 3.77Å; I497-K558 HydrophobicContact CD1-CD 4.18Å; I497-K558 HydrophobicContact CD1-CG 3.66Å
498V92.2Very high88.3Confident0 Ų055.8 Ų55.80%027%0.27CS..Hα-helixtrans-66.8-44178.8177.50000110.6F435 K438 L439 T494 I495 P496 Y500 T501 F700 Y701F435-V498 HydrophobicContact CD2-CG2 3.5Å; F435-V498 VanDerWaalsContact CD2-CG2 3.5Å; F435-V498 HydrophobicContact CE2-CG2 3.67Å; K438-V498 HydrophobicContact CB-CG1 3.78Å; K438-V498 HydrophobicContact CB-CG2 4.46Å; L439-V498 HydrophobicContact CD2-CG2 4.36Å; T494-V498 HydrophobicContact CG2-CG2 4.33Å; T494-V498 WeakPolarHBondContact O-CB 3.19Å; T494-V498 VanDerWaalsContact O-CG2 3.31Å; T494-V498 WeakPolarHBondContact O-CG2 3.44Å; T494-V498 PolarHBondContact O-N 3.38Å; I495-V498 PolarHBondContact O-N 3.24Å; P496-V498 PolarHBondContact O-N 3.45Å; V498-Y500 VanDerWaalsContact C-N 3.33Å; V498-Y500 PolarHBondContact O-N 2.86Å; V498-T501 WeakPolarHBondContact CA-OG1 3.14Å; V498-T501 VanDerWaalsContact O-CB 3.25Å; V498-T501 WeakPolarHBondContact O-CB 3.32Å; V498-T501 PolarHBondContact O-N 2.91Å; V498-T501 VanDerWaalsContact O-N 3.16Å; V498-T501 PolarHBondContact O-OG1 2.63Å; V498-F700 HydrophobicContact CB-CE1 3.88Å; V498-F700 HydrophobicContact CB-CZ 4.33Å; V498-F700 HydrophobicContact CG1-CD1 4.43Å; V498-F700 HydrophobicContact CG1-CE1 3.74Å; V498-F700 HydrophobicContact CG1-CZ 4.38Å; V498-F700 HydrophobicContact CG2-CE1 4Å; V498-F700 HydrophobicContact CG2-CZ 3.92Å; V498-Y701 HydrophobicContact CB-CE1 4.36Å; V498-Y701 HydrophobicContact CG1-CE1 4.37Å
499Y92.1Very high86.4Confident119 Ų11960.8 Ų60.847%0.46730%0.303SS..Hα-helixtrans-58.6-42.1-180-177-94.6000113I495 P496 P502 Y701I495-Y499 VanDerWaalsContact O-CB 3.3Å; I495-Y499 WeakPolarHBondContact O-CB 3.06Å; I495-Y499 PolarHBondContact O-N 3.29Å; P496-Y499 PolarHBondContact O-N 3.49Å; Y499-P502 WeakPolarHBondContact O-CD 3.34Å; Y499-Y701 WeakPolarHBondContact CA-OH 3.41Å; Y499-Y701 PolarHBondContact N-OH 3.04Å
500Y92.6Very high84.4Confident124 Ų12463 Ų6349%0.48632%0.315SS..Hα-helixtrans-86.7-8.4179.9-70.2-67.7000114.3P496 V498 P502 Y503 F504P496-Y500 HydrophobicContact CB-CD2 4.26Å; P496-Y500 HydrophobicContact CB-CE2 4.36Å; P496-Y500 WeakPolarHBondContact O-CB 3.27Å; P496-Y500 WeakPolarHBondContact O-CD2 3.31Å; P496-Y500 PolarHBondContact O-N 3.28Å; V498-Y500 VanDerWaalsContact C-N 3.33Å; V498-Y500 PolarHBondContact O-N 2.86Å; Y500-P502 VanDerWaalsContact C-CD 3.48Å; Y500-Y503 AromaticContact CD1-CD2 3.98Å; Y500-Y503 HydrophobicContact CD1-CD2 3.98Å; Y500-Y503 HydrophobicContact CD1-CE2 4.2Å; Y500-Y503 WeakPolarHBondContact O-CB 3.42Å; Y500-Y503 PolarHBondContact O-N 3.03Å; Y500-F504 VanDerWaalsContact O-CD2 3.24Å; Y500-F504 WeakPolarHBondContact O-CD2 3.44Å
501T91Very high82.3Confident0 Ų065.5 Ų65.50%033%0.325CS..G310 helixtrans-47.4-48.8179.2-65.80000114.2L439 H442 I497 V498 Y503 F504 F547 F551L439-T501 HydrophobicContact CD2-CG2 4.01Å; L439-T501 WeakPolarHBondContact CD2-OG1 3.25Å; H442-T501 HydrophobicContact CB-CG2 3.66Å; I497-T501 PolarHBondContact O-N 3.48Å; I497-T501 VanDerWaalsContact O-N 3.1Å; I497-T501 PolarHBondContact O-OG1 3.21Å; V498-T501 WeakPolarHBondContact CA-OG1 3.14Å; V498-T501 VanDerWaalsContact O-CB 3.25Å; V498-T501 WeakPolarHBondContact O-CB 3.32Å; V498-T501 PolarHBondContact O-N 2.91Å; V498-T501 VanDerWaalsContact O-N 3.16Å; V498-T501 PolarHBondContact O-OG1 2.63Å; T501-Y503 PolarHBondContact O-N 3.38Å; T501-F504 PolarHBondContact O-N 3.41Å; T501-F504 VanDerWaalsContact O-N 3.14Å; T501-F547 HydrophobicContact CG2-CD1 4.46Å; T501-F547 HydrophobicContact CG2-CE1 3.56Å; T501-F547 HydrophobicContact CG2-CZ 4.18Å; T501-F551 HydrophobicContact CG2-CE1 4.48Å; T501-F551 HydrophobicContact CG2-CE2 4.32Å; T501-F551 HydrophobicContact CG2-CZ 3.84Å; T501-F551 WeakPolarHBondContact OG1-CE2 3.42Å; T501-F551 WeakPolarHBondContact OG1-CZ 3.43Å
502P86.3Confident80Confident47 Ų4768 Ų6831%0.30534%0.341SS..G310 helixtrans-61.4-27.2-179.422.8-34.2000114.3Y499 Y500 F504 R505Y499-P502 WeakPolarHBondContact O-CD 3.34Å; Y500-P502 VanDerWaalsContact C-CD 3.48Å; P502-F504 VanDerWaalsContact C-N 3.25Å; P502-F504 PolarHBondContact O-N 3.12Å; P502-R505 WeakPolarHBondContact O-CG 3.48Å; P502-R505 PolarHBondContact O-N 3.16Å
503Y88.9Confident77.4Confident168 Ų16872.9 Ų72.966%0.65936%0.359SS*.G310 helixtrans-72.5-18.8179.4-64.5-89.1000113.2Y500 T501Y500-Y503 AromaticContact CD1-CD2 3.98Å; Y500-Y503 HydrophobicContact CD1-CD2 3.98Å; Y500-Y503 HydrophobicContact CD1-CE2 4.2Å; Y500-Y503 WeakPolarHBondContact O-CB 3.42Å; Y500-Y503 PolarHBondContact O-N 3.03Å; T501-Y503 PolarHBondContact O-N 3.38Å
504F89.2Confident75.1Confident50 Ų5074.7 Ų74.722%0.21937%0.368CS..G310 helixtrans-94.23.4179.3-66.9-70.8000113.8Y500 T501 P502 F547 T548 L550 F551Y500-F504 VanDerWaalsContact O-CD2 3.24Å; Y500-F504 WeakPolarHBondContact O-CD2 3.44Å; T501-F504 PolarHBondContact O-N 3.41Å; T501-F504 VanDerWaalsContact O-N 3.14Å; P502-F504 VanDerWaalsContact C-N 3.25Å; P502-F504 PolarHBondContact O-N 3.12Å; F504-F547 HydrophobicContact CB-CD1 4.17Å; F504-F547 CarbonylContact O-C 3.31Å; F504-F547 VanDerWaalsContact O-CA 3.27Å; F504-F547 WeakPolarHBondContact O-CA 3.28Å; F504-T548 HydrophobicContact CD1-CG2 4.48Å; F504-T548 WeakPolarHBondContact CD1-OG1 3.35Å; F504-T548 PolarHBondContact O-N 3.41Å; F504-L550 HydrophobicContact CE1-CD2 4.14Å; F504-F551 HydrophobicContact CB-CB 3.78Å; F504-F551 HydrophobicContact CB-CD2 4.1Å; F504-F551 HydrophobicContact CB-CG 4Å; F504-F551 HydrophobicContact CD1-CB 4.21Å; F504-F551 HydrophobicContact CD2-CB 4.24Å; F504-F551 AromaticContact CD2-CD2 3.5Å; F504-F551 HydrophobicContact CD2-CD2 3.5Å; F504-F551 HydrophobicContact CD2-CE2 4.25Å; F504-F551 HydrophobicContact CD2-CG 4.2Å; F504-F551 HydrophobicContact CE2-CD2 4.11Å; F504-F551 HydrophobicContact CG-CB 3.83Å; F504-F551 AromaticContact CG-CD2 3.94Å; F504-F551 HydrophobicContact CG-CD2 3.94Å; F504-F551 HydrophobicContact CG-CG 4.17Å
505R85.6Confident72.6Confident78 Ų7879.9 Ų79.929%0.29439%0.392SS..EExtended strand (participates in β ladder)trans-70.5133.9179.5-67.1179.7-172.4169.69.2111.1H442 P502 Y545 F547H442-R505 PolarHBondContact O-NE 3.29Å; H442-R505 PolarHBondContact O-NH2 3.42Å; P502-R505 WeakPolarHBondContact O-CG 3.48Å; P502-R505 PolarHBondContact O-N 3.16Å; R505-Y545 HydrophobicContact CB-CD1 4.45Å; R505-Y545 HydrophobicContact CG-CG 4.38Å; R505-F547 HydrophobicContact CG-CD1 4.23Å; R505-F547 HydrophobicContact CG-CE1 3.6Å; R505-F547 HydrophobicContact CG-CZ 3.86Å
506I82.6Confident69.8Low78 Ų7884.8 Ų84.840%0.441%0.412SS..EExtended strand (participates in β ladder)trans-110.7122.3171.9-55.6175000107.2S546 T548I506-S546 PolarHBondContact N-O 2.91Å; I506-S546 PolarHBondContact O-N 2.87Å; I506-T548 HydrophobicContact CD1-CG2 3.89Å; I506-T548 HydrophobicContact CG1-CG2 3.98Å
507I70.8Confident67.3Low99 Ų9987.7 Ų87.751%0.50842%0.424SS..  trans-79.1121.6171.5-56.7170.7000107T512I507-T512 HydrophobicContact CG2-CG2 4.34Å
508P61.9Low64.9Low37 Ų3792.9 Ų92.924%0.2445%0.451CS..  trans-64.8139.2179.125.6-32000110.5N510 Q511P508-N510 PolarHBondContact O-N 2.56Å; P508-Q511 HydrophobicContact CG-CB 4.45Å; P508-Q511 HydrophobicContact CG-CG 4.27Å; P508-Q511 VanDerWaalsContact CG-OE1 3.25Å; P508-Q511 PolarHBondContact O-N 3.14Å; P508-Q511 VanDerWaalsContact O-N 3.16Å
509P52.3Low62.3Low107 Ų10799.5 Ų99.570%0.69549%0.486SS*.THydrogen-bonded Turntrans-63.5-16-172.423.3-33.3000114.5T512P509-T512 PolarHBondContact O-OG1 3.42Å; P509-T512 VanDerWaalsContact O-OG1 3.08Å
510N51.8Low59.4Low143 Ų14399.6 Ų99.677%0.76550%0.495SS*.THydrogen-bonded Turntrans-86.4-3.5179.5-78.12.8000114.6P508P508-N510 PolarHBondContact O-N 2.56Å
511Q48.4Very low56.9Low68 Ų68105.1 Ų105.132%0.31852%0.515SS..THydrogen-bonded Turntrans-102.8-17.5178.8-78.1179.9-28.900113.8P508 Q513 I514 Q515P508-Q511 HydrophobicContact CG-CB 4.45Å; P508-Q511 HydrophobicContact CG-CG 4.27Å; P508-Q511 VanDerWaalsContact CG-OE1 3.25Å; P508-Q511 PolarHBondContact O-N 3.14Å; P508-Q511 VanDerWaalsContact O-N 3.16Å; Q511-Q513 VanDerWaalsContact C-N 3.29Å; Q511-Q513 PolarHBondContact O-N 2.69Å; Q511-I514 PolarHBondContact O-N 3.35Å; Q511-Q515 PolarHBondContact O-N 2.67Å
512T42.1Very low54.7Low55 Ų55109.1 Ų109.134%0.33754%0.543SS..Hα-helixtrans-64.1-34.2175.143.20000111.9I507 P509 I514 Q515 F516I507-T512 HydrophobicContact CG2-CG2 4.34Å; P509-T512 PolarHBondContact O-OG1 3.42Å; P509-T512 VanDerWaalsContact O-OG1 3.08Å; T512-I514 PolarHBondContact O-N 2.7Å; T512-Q515 PolarHBondContact O-N 3.11Å; T512-F516 WeakPolarHBondContact O-CD2 3.2Å; T512-F516 PolarHBondContact O-N 3.17Å
513Q36.2Very low52.6Low141 Ų141112.3 Ų112.366%0.65956%0.557SS**Hα-helixtrans-67.3-32.6178.5-68.3-165.9-4.400113.4Q511 I517Q511-Q513 VanDerWaalsContact C-N 3.29Å; Q511-Q513 PolarHBondContact O-N 2.69Å; Q513-I517 HydrophobicContact CB-CD1 4.4Å; Q513-I517 WeakPolarHBondContact O-CB 3.4Å; Q513-I517 WeakPolarHBondContact O-CD1 3.28Å; Q513-I517 WeakPolarHBondContact O-CG1 3.41Å; Q513-I517 PolarHBondContact O-N 3.24Å
514I43.5Very low50.4Low122 Ų122111.2 Ų111.263%0.62656%0.562SS**Hα-helixtrans-77.9-26.9-178.4-59.7175.9000111.6Q511 T512Q511-I514 PolarHBondContact O-N 3.35Å; T512-I514 PolarHBondContact O-N 2.7Å
515Q37.7Very low48.2Very low109 Ų109115.2 Ų115.251%0.50959%0.586SS.*Hα-helixtrans-83.5-25177.1-85176.4-32.600114.2Q511 T512Q511-Q515 PolarHBondContact O-N 2.67Å; T512-Q515 PolarHBondContact O-N 3.11Å
516F35.1Very low46.1Very low154 Ų154118.1 Ų118.168%0.67561%0.607SS**Hα-helixtrans-92.9-17.4179-74.6-70000114.4T512T512-F516 WeakPolarHBondContact O-CD2 3.2Å; T512-F516 PolarHBondContact O-N 3.17Å
517I41.5Very low43.9Very low115 Ų115120.6 Ų120.659%0.5962%0.615SS**Hα-helixtrans-78.7-22.3-179.8-69168.8000113Q513 L519Q513-I517 HydrophobicContact CB-CD1 4.4Å; Q513-I517 WeakPolarHBondContact O-CB 3.4Å; Q513-I517 WeakPolarHBondContact O-CD1 3.28Å; Q513-I517 WeakPolarHBondContact O-CG1 3.41Å; Q513-I517 PolarHBondContact O-N 3.24Å; I517-L519 VanDerWaalsContact C-N 3.34Å; I517-L519 PolarHBondContact O-N 3.43Å
518N41.2Very low42.4Very low136 Ų136121.9 Ų121.973%0.72763%0.628SS**THydrogen-bonded Turntrans-89.112.5-179.8-73.5-27000115
519L36.6Very low41.2Very low139 Ų139125.1 Ų125.173%0.72865%0.647SS**THydrogen-bonded Turntrans-114.824.8-179.7-82.7164.6000113.2I517I517-L519 VanDerWaalsContact C-N 3.34Å; I517-L519 PolarHBondContact O-N 3.43Å
520N31.9Very low40.3Very low121 Ų121127.2 Ų127.265%0.64765%0.652SS**  trans-87118.4167.5-93.6-14000111S522 D523N520-S522 PolarHBondContact O-N 3.04Å; N520-D523 PolarHBondContact O-N 3.43Å
521R40.3Very low39.4Very low240 Ų240126.8 Ų126.891%0.90665%0.649SS**THydrogen-bonded Turntrans-60.76.3-173.4-157.7170.5-148.9169.25.3115.6
522S45.3Very low38.6Very low85 Ų85129.8 Ų129.859%0.59467%0.673SS**THydrogen-bonded Turntrans-93.7-20.9-178.249.40000114.2N520N520-S522 PolarHBondContact O-N 3.04Å
523D42.2Very low38.3Very low113 Ų113133.7 Ų133.760%0.60469%0.687SS**G310 helixtrans-90.9-3.3-175.5-64-24.3000113.8N520 N525N520-D523 PolarHBondContact O-N 3.43Å; D523-N525 VanDerWaalsContact C-N 3.28Å; D523-N525 PolarHBondContact O-N 2.93Å
524L42.5Very low38.1Very low146 Ų146134.4 Ų134.476%0.76470%0.695SS**G310 helixtrans-74.5-13.9-178-129.385.6000114.2
525N42.2Very low37.7Very low133 Ų133135.9 Ų135.971%0.71170%0.699SS**G310 helixtrans-101-5.7-174.4-70.7-9.6000114.5D523D523-N525 VanDerWaalsContact C-N 3.28Å; D523-N525 PolarHBondContact O-N 2.93Å
526N41.9Very low37.5Very low140 Ų140135.4 Ų135.475%0.74970%0.704SS**SBendtrans-114.95.8179.4-74.9-16.9000113.8
527F36.9Very low37.4Very low129 Ų129132.1 Ų132.157%0.56671%0.705SS**  trans-94.27.3-175-143.5-97.6000114.2T529 L531F527-T529 VanDerWaalsContact C-N 3.34Å; F527-T529 PolarHBondContact O-N 3.04Å; F527-L531 HydrophobicContact CD1-CD1 4.16Å; F527-L531 HydrophobicContact CD1-CG 4.2Å; F527-L531 HydrophobicContact CE1-CD1 4.25Å; F527-L531 HydrophobicContact CE1-CD2 3.87Å; F527-L531 HydrophobicContact CE1-CG 3.85Å
528T39Very low36.8Very low126 Ų126132.7 Ų132.777%0.77371%0.71SS**SBendtrans-86.76.7-177.830.90000115
529T37Very low36.4Very low106 Ų106131.1 Ų131.165%0.6571%0.705SS**SBendtrans-138.4113.5173.654.20000109.7F527F527-T529 VanDerWaalsContact C-N 3.34Å; F527-T529 PolarHBondContact O-N 3.04Å
530N32.6Very low36.5Very low150 Ų150128.9 Ų128.980%0.80270%0.697SS**  trans95.759.6178.4-50.1-28.1000116.9T532N530-T532 PolarHBondContact O-N 3.28Å
531L32.9Very low37Very low134 Ų134132.1 Ų132.170%0.70271%0.705SS**  trans-88.476.5164.4-100.1151000110.8F527F527-L531 HydrophobicContact CD1-CD1 4.16Å; F527-L531 HydrophobicContact CD1-CG 4.2Å; F527-L531 HydrophobicContact CE1-CD1 4.25Å; F527-L531 HydrophobicContact CE1-CD2 3.87Å; F527-L531 HydrophobicContact CE1-CG 3.85Å
532T31.7Very low37Very low131 Ų131127.7 Ų127.780%0.80470%0.7SS**  trans-122.562.6162.143.70000109.4N530N530-T532 PolarHBondContact O-N 3.28Å
533Q35.3Very low37.3Very low138 Ų138125.8 Ų125.865%0.64568%0.682SS**  trans-138.194.2168.8-82.8-172.1-19.300111.5H535Q533-H535 PolarHBondContact O-N 3.08Å; Q533-H535 VanDerWaalsContact O-N 3.16Å
534N33.3Very low38Very low155 Ų155123.4 Ų123.483%0.82968%0.678SS**THydrogen-bonded Turntrans-73.319.7167.9-91.2-23.3000113.7
535H33.7Very low39.2Very low154 Ų154119.9 Ų119.971%0.71366%0.655SS**THydrogen-bonded Turntrans-110.1-9.1-165.1-85.8-69.1000116.6Q533Q533-H535 PolarHBondContact O-N 3.08Å; Q533-H535 VanDerWaalsContact O-N 3.16Å
536T34.7Very low41Very low99 Ų99115.4 Ų115.461%0.60763%0.634SS**SBendtrans-104.4-15.9-173.446.50000115.1T539T536-T539 PolarHBondContact O-OG1 3.34Å
537A31.8Very low43.1Very low85 Ų85109.1 Ų109.170%0.70260%0.6SS**SBendtrans-83.8-18.5177.200000113.8
538N30.5Very low45.7Very low127 Ų127105 Ų10568%0.67959%0.586SS**SBendtrans-93-10.5-176.5-70.6-22000114
539T32.6Very low48Very low102 Ų102109 Ų10963%0.62659%0.587SS**SBendtrans-87-12.1-177.6470000114.3T536T536-T539 PolarHBondContact O-OG1 3.34Å
540V39Very low50.6Low93 Ų93108.9 Ų108.956%0.56458%0.582SS**SBendtrans-86.2-16-177.6-178.90000112.7D542 M543V540-D542 PolarHBondContact O-N 2.91Å; V540-M543 HydrophobicContact CG1-CE 4.35Å
541K40.7Very low53.5Low189 Ų189101.9 Ų101.982%0.82254%0.544SS*.THydrogen-bonded Turntrans-82.9-12.3-170.5-127.4175.8-177.6178.50115.3
542D41.1Very low56.2Low147 Ų14796.4 Ų96.479%0.78651%0.514SS*.THydrogen-bonded Turntrans-119.337.2-176.4-64.4-37.5000113V540 A544V540-D542 PolarHBondContact O-N 2.91Å; D542-A544 PolarHBondContact O-N 3.18Å; D542-A544 VanDerWaalsContact O-N 3.14Å
543M50.9Low59.1Low44 Ų4495.5 Ų95.522%0.21750%0.503CS..  trans-77.597.2169.4-74.7-156.9-81.500110.4V540 Y545V540-M543 HydrophobicContact CG1-CE 4.35Å; M543-Y545 VanDerWaalsContact O-CD2 3.3Å; M543-Y545 WeakPolarHBondContact O-CD2 3.36Å; M543-Y545 WeakPolarHBondContact O-CE2 3.39Å; M543-Y545 PolarHBondContact O-N 2.81Å
544A57.3Low61.8Low64 Ų6493.1 Ų93.153%0.52950%0.495SS..  trans-65.7109.3168.200000109.8P445 D542P445-A544 HydrophobicContact CB-CB 4.29Å; D542-A544 PolarHBondContact O-N 3.18Å; D542-A544 VanDerWaalsContact O-N 3.14Å
545Y68.9Low64.7Low71 Ų7185.7 Ų85.728%0.27846%0.455SS..  trans-72.5146176.2-63.4-90.2000109.9G443 R505 M543 F547G443-Y545 PolarHBondContact O-N 2.97Å; R505-Y545 HydrophobicContact CB-CD1 4.45Å; R505-Y545 HydrophobicContact CG-CG 4.38Å; M543-Y545 VanDerWaalsContact O-CD2 3.3Å; M543-Y545 WeakPolarHBondContact O-CD2 3.36Å; M543-Y545 WeakPolarHBondContact O-CE2 3.39Å; M543-Y545 PolarHBondContact O-N 2.81Å; Y545-F547 WeakPolarHBondContact O-CE2 3.31Å
546S79.4Confident67.4Low40 Ų4080.9 Ų80.928%0.2843%0.434SS..EExtended strand (participates in β ladder)trans-83.7154.5161.7-720000109.4I506I506-S546 PolarHBondContact N-O 2.91Å; I506-S546 PolarHBondContact O-N 2.87Å
547F86.4Confident70.1Confident7 Ų779.4 Ų79.43%0.03143%0.428CS..EExtended strand (participates in β ladder)trans-121.8159.2177.9-66.8-104.9000110.1F444 T501 F504 R505 Y545 F551 Y552F444-F547 HydrophobicContact CB-CE2 4.05Å; F444-F547 HydrophobicContact CB-CZ 4.05Å; F444-F547 HydrophobicContact CD2-CD1 4.49Å; F444-F547 AromaticContact CD2-CD2 3.71Å; F444-F547 HydrophobicContact CD2-CD2 3.71Å; F444-F547 HydrophobicContact CD2-CE1 4.43Å; F444-F547 AromaticContact CD2-CE2 3.68Å; F444-F547 HydrophobicContact CD2-CE2 3.68Å; F444-F547 HydrophobicContact CD2-CG 4.16Å; F444-F547 HydrophobicContact CD2-CZ 4.04Å; F444-F547 HydrophobicContact CE2-CD2 4.24Å; F444-F547 HydrophobicContact CG-CE2 4.24Å; T501-F547 HydrophobicContact CG2-CD1 4.46Å; T501-F547 HydrophobicContact CG2-CE1 3.56Å; T501-F547 HydrophobicContact CG2-CZ 4.18Å; F504-F547 HydrophobicContact CB-CD1 4.17Å; F504-F547 CarbonylContact O-C 3.31Å; F504-F547 VanDerWaalsContact O-CA 3.27Å; F504-F547 WeakPolarHBondContact O-CA 3.28Å; R505-F547 HydrophobicContact CG-CD1 4.23Å; R505-F547 HydrophobicContact CG-CE1 3.6Å; R505-F547 HydrophobicContact CG-CZ 3.86Å; Y545-F547 WeakPolarHBondContact O-CE2 3.31Å; F547-F551 HydrophobicContact CB-CB 4.41Å; F547-F551 HydrophobicContact CB-CD1 3.86Å; F547-F551 HydrophobicContact CB-CG 4.45Å; F547-F551 AromaticContact CD1-CD1 3.78Å; F547-F551 HydrophobicContact CD1-CD1 3.78Å; F547-F551 AromaticContact CD1-CE1 3.95Å; F547-F551 HydrophobicContact CD1-CE1 3.95Å; F547-F551 HydrophobicContact CD1-CG 4.34Å; F547-F551 HydrophobicContact CE1-CE1 4.39Å; F547-F551 AromaticContact CG-CD1 3.96Å; F547-F551 HydrophobicContact CG-CD1 3.96Å; F547-F551 HydrophobicContact CG-CE1 4.31Å; F547-Y552 HydrophobicContact CB-CE2 4.05Å; F547-Y552 PolarHBondContact N-OH 2.89Å; F547-Y552 VanDerWaalsContact O-CE2 3.26Å; F547-Y552 WeakPolarHBondContact O-CE2 3.3Å
548T90.8Very high73Confident44 Ų4476.1 Ų76.127%0.2740%0.398SS..  trans-61.2149.6173.262.70000112.1F504 I506 L550 F551 Y552F504-T548 HydrophobicContact CD1-CG2 4.48Å; F504-T548 WeakPolarHBondContact CD1-OG1 3.35Å; F504-T548 PolarHBondContact O-N 3.41Å; I506-T548 HydrophobicContact CD1-CG2 3.89Å; I506-T548 HydrophobicContact CG1-CG2 3.98Å; T548-L550 PolarHBondContact O-N 2.77Å; T548-F551 WeakPolarHBondContact O-CB 3.46Å; T548-F551 PolarHBondContact O-N 3.42Å; T548-F551 VanDerWaalsContact O-N 3.12Å; T548-Y552 WeakPolarHBondContact O-CD2 3.43Å; T548-Y552 PolarHBondContact O-N 3.01Å
549W88.2Confident75.9Confident209 Ų20971.8 Ų71.879%0.79237%0.374SS*.Hα-helixtrans-58.8-33.8175.9-79.7110.9000113.6F551 Y552 I553W549-F551 VanDerWaalsContact C-N 3.3Å; W549-F551 PolarHBondContact O-N 2.6Å; W549-Y552 HydrophobicContact CE3-CD2 4.11Å; W549-Y552 WeakPolarHBondContact O-CB 3.21Å; W549-Y552 PolarHBondContact O-N 3.13Å; W549-Y552 VanDerWaalsContact O-N 3.16Å; W549-I553 WeakPolarHBondContact O-CG1 3.21Å; W549-I553 PolarHBondContact O-N 3.4Å
550L91.5Very high78.7Confident103 Ų10371.1 Ų71.154%0.53936%0.363SS..Hα-helixtrans-58.3-43.7175.5-177.965000111.4F504 T548 Y552 I553 L554F504-L550 HydrophobicContact CE1-CD2 4.14Å; T548-L550 PolarHBondContact O-N 2.77Å; L550-Y552 VanDerWaalsContact C-N 3.32Å; L550-Y552 PolarHBondContact O-N 2.86Å; L550-I553 PolarHBondContact O-N 3.35Å; L550-L554 HydrophobicContact CD1-CD1 4.44Å; L550-L554 HydrophobicContact CD1-CG 4.45Å; L550-L554 HydrophobicContact CG-CD1 4.08Å; L550-L554 HydrophobicContact CG-CG 4.5Å; L550-L554 WeakPolarHBondContact O-CG 3.26Å; L550-L554 PolarHBondContact O-N 3.05Å
551F92.1Very high81.3Confident4 Ų469.4 Ų69.42%0.01835%0.352CS..Hα-helixtrans-61.8-41.1176.9-177.1-104.1000111.8L439 F444 I497 T501 F504 F547 T548 W549 L554 L555L439-F551 HydrophobicContact CD2-CZ 3.98Å; F444-F551 HydrophobicContact CD2-CD1 4.39Å; F444-F551 AromaticContact CD2-CE1 3.66Å; F444-F551 HydrophobicContact CD2-CE1 3.66Å; F444-F551 HydrophobicContact CE2-CD1 4.09Å; F444-F551 AromaticContact CE2-CE1 3.63Å; F444-F551 HydrophobicContact CE2-CE1 3.63Å; I497-F551 HydrophobicContact CG2-CE2 4.21Å; T501-F551 HydrophobicContact CG2-CE1 4.48Å; T501-F551 HydrophobicContact CG2-CE2 4.32Å; T501-F551 HydrophobicContact CG2-CZ 3.84Å; T501-F551 WeakPolarHBondContact OG1-CE2 3.42Å; T501-F551 WeakPolarHBondContact OG1-CZ 3.43Å; F504-F551 HydrophobicContact CB-CB 3.78Å; F504-F551 HydrophobicContact CB-CD2 4.1Å; F504-F551 HydrophobicContact CB-CG 4Å; F504-F551 HydrophobicContact CD1-CB 4.21Å; F504-F551 HydrophobicContact CD2-CB 4.24Å; F504-F551 AromaticContact CD2-CD2 3.5Å; F504-F551 HydrophobicContact CD2-CD2 3.5Å; F504-F551 HydrophobicContact CD2-CE2 4.25Å; F504-F551 HydrophobicContact CD2-CG 4.2Å; F504-F551 HydrophobicContact CE2-CD2 4.11Å; F504-F551 HydrophobicContact CG-CB 3.83Å; F504-F551 AromaticContact CG-CD2 3.94Å; F504-F551 HydrophobicContact CG-CD2 3.94Å; F504-F551 HydrophobicContact CG-CG 4.17Å; F547-F551 HydrophobicContact CB-CB 4.41Å; F547-F551 HydrophobicContact CB-CD1 3.86Å; F547-F551 HydrophobicContact CB-CG 4.45Å; F547-F551 AromaticContact CD1-CD1 3.78Å; F547-F551 HydrophobicContact CD1-CD1 3.78Å; F547-F551 AromaticContact CD1-CE1 3.95Å; F547-F551 HydrophobicContact CD1-CE1 3.95Å; F547-F551 HydrophobicContact CD1-CG 4.34Å; F547-F551 HydrophobicContact CE1-CE1 4.39Å; F547-F551 AromaticContact CG-CD1 3.96Å; F547-F551 HydrophobicContact CG-CD1 3.96Å; F547-F551 HydrophobicContact CG-CE1 4.31Å; T548-F551 WeakPolarHBondContact O-CB 3.46Å; T548-F551 PolarHBondContact O-N 3.42Å; T548-F551 VanDerWaalsContact O-N 3.12Å; W549-F551 VanDerWaalsContact C-N 3.3Å; W549-F551 PolarHBondContact O-N 2.6Å; F551-L554 PolarHBondContact O-N 2.89Å; F551-L555 HydrophobicContact CE1-CD2 3.93Å; F551-L555 HydrophobicContact CZ-CD2 4.29Å; F551-L555 WeakPolarHBondContact O-CB 3.23Å; F551-L555 PolarHBondContact O-N 3.02Å
552Y91.2Very high83.7Confident19 Ų1962 Ų628%0.07532%0.319CS..Hα-helixtrans-61.9-44.1175.7-69.6-54.6000112.7F444 R448 F452 F547 T548 W549 L550 L556F444-Y552 HydrophobicContact CE2-CD1 4.08Å; F444-Y552 AromaticContact CE2-CE1 3.41Å; F444-Y552 HydrophobicContact CE2-CE1 3.41Å; F444-Y552 VanDerWaalsContact CE2-CE1 3.41Å; F444-Y552 HydrophobicContact CZ-CD1 4.18Å; F444-Y552 AromaticContact CZ-CE1 3.6Å; F444-Y552 HydrophobicContact CZ-CE1 3.6Å; R448-Y552 VanDerWaalsContact NH1-CZ 3.27Å; R448-Y552 PolarHBondContact NH1-OH 3.18Å; F452-Y552 HydrophobicContact CE2-CD1 4.24Å; F452-Y552 AromaticContact CZ-CD1 3.65Å; F452-Y552 HydrophobicContact CZ-CD1 3.65Å; F452-Y552 HydrophobicContact CZ-CE1 4.29Å; F547-Y552 HydrophobicContact CB-CE2 4.05Å; F547-Y552 PolarHBondContact N-OH 2.89Å; F547-Y552 VanDerWaalsContact O-CE2 3.26Å; F547-Y552 WeakPolarHBondContact O-CE2 3.3Å; T548-Y552 WeakPolarHBondContact O-CD2 3.43Å; T548-Y552 PolarHBondContact O-N 3.01Å; W549-Y552 HydrophobicContact CE3-CD2 4.11Å; W549-Y552 WeakPolarHBondContact O-CB 3.21Å; W549-Y552 PolarHBondContact O-N 3.13Å; W549-Y552 VanDerWaalsContact O-N 3.16Å; L550-Y552 VanDerWaalsContact C-N 3.32Å; L550-Y552 PolarHBondContact O-N 2.86Å; Y552-L556 WeakPolarHBondContact O-CB 3.28Å; Y552-L556 PolarHBondContact O-N 3.14Å
553I92Very high85.8Confident111 Ų11155.3 Ų55.357%0.56929%0.285SS*.Hα-helixtrans-64.4-46.2178-66.7169.9000110.8W549 L550 L556 S557W549-I553 WeakPolarHBondContact O-CG1 3.21Å; W549-I553 PolarHBondContact O-N 3.4Å; L550-I553 PolarHBondContact O-N 3.35Å; I553-L556 PolarHBondContact O-N 3.13Å; I553-S557 WeakPolarHBondContact O-CB 3.41Å; I553-S557 PolarHBondContact O-N 3.21Å
554L92.6Very high87.6Confident88 Ų8854.6 Ų54.646%0.46128%0.283SS..Hα-helixtrans-61.3-46.1178.4-71.9173.1000111.8L550 F551 S557 K558L550-L554 HydrophobicContact CD1-CD1 4.44Å; L550-L554 HydrophobicContact CD1-CG 4.45Å; L550-L554 HydrophobicContact CG-CD1 4.08Å; L550-L554 HydrophobicContact CG-CG 4.5Å; L550-L554 WeakPolarHBondContact O-CG 3.26Å; L550-L554 PolarHBondContact O-N 3.05Å; F551-L554 PolarHBondContact O-N 2.89Å; L554-S557 PolarHBondContact O-N 3.39Å; L554-K558 WeakPolarHBondContact O-CB 3.24Å; L554-K558 PolarHBondContact O-N 3.43Å
555L92.6Very high89.2Confident0 Ų052.4 Ų52.40%026%0.262CS..Hα-helixtrans-64.6-47.3179-179.855.7000111.3F435 L439 F444 F452 I497 F551 S557 K558 L559F435-L555 HydrophobicContact CE1-CD1 3.83Å; F435-L555 HydrophobicContact CZ-CD1 3.42Å; F435-L555 VanDerWaalsContact CZ-CD1 3.42Å; L439-L555 HydrophobicContact CD1-CD1 3.99Å; L439-L555 HydrophobicContact CD1-CD2 4.07Å; F444-L555 HydrophobicContact CE1-CD2 4.47Å; F444-L555 HydrophobicContact CE2-CD2 3.99Å; F444-L555 HydrophobicContact CZ-CD2 3.86Å; F452-L555 HydrophobicContact CD2-CD2 4.18Å; F452-L555 HydrophobicContact CD2-CG 4.34Å; F452-L555 HydrophobicContact CE2-CD2 3.7Å; F452-L555 HydrophobicContact CE2-CG 4.08Å; I497-L555 HydrophobicContact CG2-CD1 4.43Å; F551-L555 HydrophobicContact CE1-CD2 3.93Å; F551-L555 HydrophobicContact CZ-CD2 4.29Å; F551-L555 WeakPolarHBondContact O-CB 3.23Å; F551-L555 PolarHBondContact O-N 3.02Å; L555-S557 PolarHBondContact O-N 3.04Å; L555-K558 PolarHBondContact O-N 3.37Å; L555-L559 HydrophobicContact CD1-CD1 4.21Å; L555-L559 HydrophobicContact CD1-CG 4.32Å; L555-L559 HydrophobicContact CG-CD1 4.19Å; L555-L559 WeakPolarHBondContact O-CB 3.32Å; L555-L559 VanDerWaalsContact O-CG 3.28Å; L555-L559 WeakPolarHBondContact O-CG 3.14Å; L555-L559 PolarHBondContact O-N 3.3Å
556L91.5Very high90.1Very high52 Ų5250.6 Ų50.627%0.27226%0.26SS..Hα-helixtrans-64.2-41.2178.6-17661.8000111.7F452 L455 L456 Y552 I553 L559 F560F452-L556 HydrophobicContact CD1-CD1 4.15Å; L455-L556 HydrophobicContact CD2-CD1 3.99Å; L455-L556 HydrophobicContact CD2-CD2 4.03Å; L456-L556 HydrophobicContact CD2-CD1 4.23Å; L456-L556 HydrophobicContact CG-CD1 4.44Å; Y552-L556 WeakPolarHBondContact O-CB 3.28Å; Y552-L556 PolarHBondContact O-N 3.14Å; I553-L556 PolarHBondContact O-N 3.13Å; L556-L559 PolarHBondContact O-N 3.16Å; L556-F560 VanDerWaalsContact O-CB 3.3Å; L556-F560 WeakPolarHBondContact O-CB 3.45Å; L556-F560 PolarHBondContact O-N 2.94Å
557S92Very high90.3Very high68 Ų6848.9 Ų48.948%0.47625%0.248SC..Hα-helixtrans-61.1-47175.1-178.20000111.6I553 L554 L555 L559 F560 V561I553-S557 WeakPolarHBondContact O-CB 3.41Å; I553-S557 PolarHBondContact O-N 3.21Å; L554-S557 PolarHBondContact O-N 3.39Å; L555-S557 PolarHBondContact O-N 3.04Å; S557-L559 VanDerWaalsContact C-N 3.34Å; S557-L559 PolarHBondContact O-N 2.65Å; S557-F560 PolarHBondContact O-N 2.92Å; S557-V561 WeakPolarHBondContact O-CG2 3.21Å; S557-V561 PolarHBondContact O-N 3.05Å
558K92.7Very high90.4Very high17 Ų1750.4 Ų50.47%0.07426%0.256CS..Hα-helixtrans-58.4-46.6175.4179.5-97.8-174.1170.40111.2F435 V490 T494 I497 L554 L555 Y562F435-K558 HydrophobicContact CE1-CD 4.41Å; F435-K558 HydrophobicContact CZ-CD 4.29Å; V490-K558 HydrophobicContact CG1-CG 4.2Å; T494-K558 WeakPolarHBondContact OG1-CE 3.33Å; T494-K558 PolarHBondContact OG1-NZ 2.76Å; I497-K558 HydrophobicContact CD1-CB 3.77Å; I497-K558 HydrophobicContact CD1-CD 4.18Å; I497-K558 HydrophobicContact CD1-CG 3.66Å; L554-K558 WeakPolarHBondContact O-CB 3.24Å; L554-K558 PolarHBondContact O-N 3.43Å; L555-K558 PolarHBondContact O-N 3.37Å; K558-Y562 WeakPolarHBondContact O-CB 3.39Å; K558-Y562 PolarHBondContact O-N 3.37Å
559L90.9Very high90.4Very high35 Ų3548.4 Ų48.418%0.18324%0.244CC..Hα-helixtrans-65.1-38.3179.3-69.2172.3000112.1F435 F452 L456 L555 L556 S557 S563F435-L559 HydrophobicContact CE1-CD2 4.11Å; F452-L559 HydrophobicContact CB-CD1 3.87Å; F452-L559 HydrophobicContact CD2-CD1 3.94Å; F452-L559 HydrophobicContact CG-CD1 4.24Å; L456-L559 HydrophobicContact CD1-CB 3.48Å; L456-L559 VanDerWaalsContact CD1-CB 3.48Å; L555-L559 HydrophobicContact CD1-CD1 4.21Å; L555-L559 HydrophobicContact CD1-CG 4.32Å; L555-L559 HydrophobicContact CG-CD1 4.19Å; L555-L559 WeakPolarHBondContact O-CB 3.32Å; L555-L559 VanDerWaalsContact O-CG 3.28Å; L555-L559 WeakPolarHBondContact O-CG 3.14Å; L555-L559 PolarHBondContact O-N 3.3Å; L556-L559 PolarHBondContact O-N 3.16Å; S557-L559 VanDerWaalsContact C-N 3.34Å; S557-L559 PolarHBondContact O-N 2.65Å; L559-S563 WeakPolarHBondContact O-CB 3.37Å; L559-S563 PolarHBondContact O-N 3.49Å
560F91.3Very high90.2Very high88 Ų8842.4 Ų42.439%0.38623%0.225SC..Hα-helixtrans-62.9-51.2176.7178.3-90.7000112.1L456 I459 L556 S557 Y562 S563 T564L456-F560 HydrophobicContact CD2-CB 3.98Å; L456-F560 HydrophobicContact CD2-CD2 3.96Å; L456-F560 HydrophobicContact CD2-CG 4.47Å; I459-F560 HydrophobicContact CB-CE2 4.36Å; I459-F560 HydrophobicContact CD1-CD2 3.76Å; I459-F560 HydrophobicContact CD1-CE2 3.64Å; I459-F560 HydrophobicContact CG1-CE2 4.06Å; I459-F560 HydrophobicContact CG2-CD2 4.16Å; I459-F560 HydrophobicContact CG2-CE2 3.53Å; I459-F560 HydrophobicContact CG2-CZ 4.24Å; L556-F560 VanDerWaalsContact O-CB 3.3Å; L556-F560 WeakPolarHBondContact O-CB 3.45Å; L556-F560 PolarHBondContact O-N 2.94Å; S557-F560 PolarHBondContact O-N 2.92Å; F560-Y562 VanDerWaalsContact C-N 3.34Å; F560-Y562 PolarHBondContact O-N 3.3Å; F560-S563 PolarHBondContact O-N 2.62Å; F560-T564 WeakPolarHBondContact O-CB 3.39Å; F560-T564 PolarHBondContact O-N 2.89Å; F560-T564 PolarHBondContact O-OG1 3.34Å
561V92.5Very high90.1Very high57 Ų5737.5 Ų37.535%0.34520%0.2SC..Hα-helixtrans-63.1-44.1178.81790000110.1V490 S557 S563 T564 I565V490-V561 HydrophobicContact CG2-CG1 3.68Å; S557-V561 WeakPolarHBondContact O-CG2 3.21Å; S557-V561 PolarHBondContact O-N 3.05Å; V561-S563 PolarHBondContact O-N 3.16Å; V561-T564 PolarHBondContact O-N 3.03Å; V561-I565 HydrophobicContact CG1-CD1 3.87Å; V561-I565 WeakPolarHBondContact O-CG1 3.23Å; V561-I565 PolarHBondContact O-N 2.83Å; V561-I565 VanDerWaalsContact O-N 3.1Å
562Y91Very high90Very high33 Ų3337.3 Ų37.313%0.12920%0.199CC..Hα-helixtrans-57.3-50.9176.4-171.7-94.8000112.2E432 R487 V490 T491 K558 F560 T564 I565 S566E432-Y562 HydrophobicContact CG-CE1 4.34Å; E432-Y562 WeakPolarHBondContact CG-OH 3.13Å; E432-Y562 PolarHBondContact OE1-OH 2.84Å; R487-Y562 HydrophobicContact CG-CD2 4.36Å; R487-Y562 HydrophobicContact CG-CE2 3.81Å; R487-Y562 PolarHBondContact NE-OH 3.35Å; R487-Y562 VanDerWaalsContact NE-OH 3.09Å; R487-Y562 PolarHBondContact NH2-OH 3.3Å; V490-Y562 HydrophobicContact CG1-CD2 4.09Å; T491-Y562 WeakPolarHBondContact OG1-CE2 3.26Å; K558-Y562 WeakPolarHBondContact O-CB 3.39Å; K558-Y562 PolarHBondContact O-N 3.37Å; F560-Y562 VanDerWaalsContact C-N 3.34Å; F560-Y562 PolarHBondContact O-N 3.3Å; Y562-T564 VanDerWaalsContact C-N 3.29Å; Y562-T564 PolarHBondContact O-N 2.94Å; Y562-I565 PolarHBondContact O-N 3.48Å; Y562-S566 WeakPolarHBondContact O-CB 3.22Å; Y562-S566 PolarHBondContact O-N 2.98Å
563S86Confident89.9Confident8 Ų837.9 Ų37.96%0.05620%0.202CC..Hα-helixtrans-59.8-41.2178.6-176.40000111.3Q460 L559 F560 V561 S566 S567Q460-S563 VanDerWaalsContact CG-OG 3.25Å; Q460-S563 WeakPolarHBondContact CG-OG 3.33Å; Q460-S563 PolarHBondContact NE2-OG 3.44Å; L559-S563 WeakPolarHBondContact O-CB 3.37Å; L559-S563 PolarHBondContact O-N 3.49Å; F560-S563 PolarHBondContact O-N 2.62Å; V561-S563 PolarHBondContact O-N 3.16Å; S563-S566 PolarHBondContact O-N 3.25Å; S563-S567 PolarHBondContact O-N 3.14Å; S563-S567 PolarHBondContact O-OG 2.97Å; S563-S567 VanDerWaalsContact O-OG 3.12Å
564T88.7Confident89.8Confident28 Ų2833.2 Ų33.217%0.17218%0.179CC..Hα-helixtrans-61.2-50-179.3-62.40000111.5L463 F560 V561 Y562 S566 S567 I568L463-T564 HydrophobicContact CD1-CG2 3.92Å; L463-T564 HydrophobicContact CD2-CG2 3.44Å; L463-T564 VanDerWaalsContact CD2-CG2 3.44Å; L463-T564 HydrophobicContact CG-CG2 4.31Å; F560-T564 WeakPolarHBondContact O-CB 3.39Å; F560-T564 PolarHBondContact O-N 2.89Å; F560-T564 PolarHBondContact O-OG1 3.34Å; V561-T564 PolarHBondContact O-N 3.03Å; Y562-T564 VanDerWaalsContact C-N 3.29Å; Y562-T564 PolarHBondContact O-N 2.94Å; T564-S566 VanDerWaalsContact C-N 3.32Å; T564-S566 PolarHBondContact O-N 3.41Å; T564-S567 PolarHBondContact O-N 2.98Å; T564-I568 WeakPolarHBondContact O-CG1 3.46Å; T564-I568 PolarHBondContact O-N 3.14Å; T564-I568 VanDerWaalsContact O-N 3.14Å
565I91Very high89.6Confident18 Ų1829.5 Ų29.59%0.09216%0.16CC..Hα-helixtrans-65.9-38.7179.2-58.8161.6000110.6A483 P486 R487 V490 V561 Y562 S567 I568 M569A483-I565 HydrophobicContact CB-CG2 4.27Å; A483-I565 WeakPolarHBondContact O-CG2 3.42Å; P486-I565 HydrophobicContact CB-CD1 3.84Å; R487-I565 HydrophobicContact CB-CB 4.48Å; R487-I565 HydrophobicContact CB-CG2 3.68Å; R487-I565 HydrophobicContact CG-CG2 4.31Å; V490-I565 HydrophobicContact CG2-CD1 3.99Å; V561-I565 HydrophobicContact CG1-CD1 3.87Å; V561-I565 WeakPolarHBondContact O-CG1 3.23Å; V561-I565 PolarHBondContact O-N 2.83Å; V561-I565 VanDerWaalsContact O-N 3.1Å; Y562-I565 PolarHBondContact O-N 3.48Å; I565-S567 PolarHBondContact O-N 3.33Å; I565-I568 PolarHBondContact O-N 3.03Å; I565-M569 WeakPolarHBondContact O-CG 3.21Å; I565-M569 PolarHBondContact O-N 3.38Å; I565-M569 VanDerWaalsContact O-N 3.08Å
566S86.8Confident89.6Confident33 Ų3329.6 Ų29.623%0.23116%0.161CC..Hα-helixtrans-61-43.1175.5-173.90000112.6R487 Y562 S563 T564 I568 M569 M570R487-S566 PolarHBondContact NH1-OG 3.44Å; R487-S566 PolarHBondContact NH2-OG 3.06Å; R487-S566 VanDerWaalsContact NH2-OG 3.09Å; Y562-S566 WeakPolarHBondContact O-CB 3.22Å; Y562-S566 PolarHBondContact O-N 2.98Å; S563-S566 PolarHBondContact O-N 3.25Å; T564-S566 VanDerWaalsContact C-N 3.32Å; T564-S566 PolarHBondContact O-N 3.41Å; S566-I568 PolarHBondContact O-N 2.68Å; S566-M569 PolarHBondContact O-N 3.1Å; S566-M570 WeakPolarHBondContact O-CB 3.48Å; S566-M570 PolarHBondContact O-N 3.47Å
567S84.9Confident89.5Confident5 Ų527.1 Ų27.14%0.03515%0.148CC..Hα-helixtrans-62.3-40.7175.7-64.60000112.2S563 T564 I565 M570 V571S563-S567 PolarHBondContact O-N 3.14Å; S563-S567 PolarHBondContact O-OG 2.97Å; S563-S567 VanDerWaalsContact O-OG 3.12Å; T564-S567 PolarHBondContact O-N 2.98Å; I565-S567 PolarHBondContact O-N 3.33Å; S567-M570 PolarHBondContact O-N 3.39Å; S567-V571 VanDerWaalsContact O-CG2 3.3Å; S567-V571 WeakPolarHBondContact O-CG2 3.18Å; S567-V571 PolarHBondContact O-N 3.06Å
568I89.1Confident89.4Confident38 Ų3824 Ų2420%0.19513%0.126CC..Hα-helixtrans-57.7-51.3174.5-65.8163.6000110.2I467 T471 V479 A483 T564 I565 S566 M570 V571 V572I467-I568 HydrophobicContact CD1-CB 4.04Å; I467-I568 HydrophobicContact CD1-CG1 3.39Å; I467-I568 HydrophobicContact CG2-CG1 4.46Å; T471-I568 HydrophobicContact CG2-CG2 4.3Å; V479-I568 HydrophobicContact CG1-CG2 4.37Å; A483-I568 HydrophobicContact CB-CG2 4.18Å; T564-I568 WeakPolarHBondContact O-CG1 3.46Å; T564-I568 PolarHBondContact O-N 3.14Å; T564-I568 VanDerWaalsContact O-N 3.14Å; I565-I568 PolarHBondContact O-N 3.03Å; S566-I568 PolarHBondContact O-N 2.68Å; I568-M570 VanDerWaalsContact C-N 3.31Å; I568-M570 PolarHBondContact O-N 3.28Å; I568-V571 PolarHBondContact O-N 3.06Å; I568-V572 HydrophobicContact CG2-CG2 4.4Å; I568-V572 WeakPolarHBondContact O-CB 3.3Å; I568-V572 VanDerWaalsContact O-CG2 3.23Å; I568-V572 WeakPolarHBondContact O-CG2 3.18Å; I568-V572 PolarHBondContact O-N 3.02Å; I568-V572 VanDerWaalsContact O-N 3.08Å
569M89.2Confident89.2Confident3 Ų327 Ų272%0.01514%0.139CC..Hα-helixtrans-59.2-42.4179.4-70.217972.500111.8V424 F480 A483 F484 R487 I565 S566 Q573V424-M569 HydrophobicContact CG1-CE 3.78Å; F480-M569 HydrophobicContact CD1-CE 4.43Å; F480-M569 HydrophobicContact CD2-CB 3.83Å; F480-M569 HydrophobicContact CD2-CE 4.15Å; F480-M569 HydrophobicContact CD2-CG 4.2Å; F480-M569 WeakPolarHBondContact CD2-O 3.41Å; F480-M569 HydrophobicContact CE1-CE 3.93Å; F480-M569 HydrophobicContact CE2-CB 3.76Å; F480-M569 HydrophobicContact CE2-CE 3.63Å; F480-M569 HydrophobicContact CE2-CG 4.31Å; F480-M569 HydrophobicContact CZ-CE 3.49Å; F480-M569 VanDerWaalsContact CZ-CE 3.49Å; A483-M569 HydrophobicContact CB-CG 3.8Å; F484-M569 HydrophobicContact CB-CE 4.12Å; F484-M569 HydrophobicContact CD2-CE 4.34Å; R487-M569 HydrophobicContact CB-SD 4.33Å; R487-M569 WeakPolarHBondContact CD-SD 3.46Å; R487-M569 PolarHBondContact NH1-SD 3.16Å; R487-M569 VanDerWaalsContact NH1-SD 3.39Å; I565-M569 WeakPolarHBondContact O-CG 3.21Å; I565-M569 PolarHBondContact O-N 3.38Å; I565-M569 VanDerWaalsContact O-N 3.08Å; S566-M569 PolarHBondContact O-N 3.1Å; M569-Q573 WeakPolarHBondContact O-CB 3.2Å; M569-Q573 PolarHBondContact O-N 3.35Å
570M85.6Confident89.1Confident83 Ų8325.8 Ų25.841%0.40913%0.133SC..Hα-helixtrans-64.6-47179.3-171.4174.575.100112.5V151 S566 S567 I568 V572 Q573 V574V151-M570 HydrophobicContact CB-CE 4.15Å; V151-M570 HydrophobicContact CG1-CE 3.3Å; V151-M570 HydrophobicContact CG2-CE 3.8Å; V151-M570 HydrophobicContact CG2-CG 4.46Å; S566-M570 WeakPolarHBondContact O-CB 3.48Å; S566-M570 PolarHBondContact O-N 3.47Å; S567-M570 PolarHBondContact O-N 3.39Å; I568-M570 VanDerWaalsContact C-N 3.31Å; I568-M570 PolarHBondContact O-N 3.28Å; M570-V572 VanDerWaalsContact C-N 3.34Å; M570-V572 PolarHBondContact O-N 3.11Å; M570-Q573 PolarHBondContact O-N 3.42Å; M570-V574 WeakPolarHBondContact O-CG2 3.5Å; M570-V574 PolarHBondContact O-N 2.65Å
571V88.3Confident89Confident0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-60-45.9178.4171.80000110.8S147 V151 P464 T471 S567 I568 Q573 V574 A575S147-V571 WeakPolarHBondContact CB-O 3.39Å; V151-V571 HydrophobicContact CB-CG2 4.26Å; V151-V571 HydrophobicContact CG1-CG2 4.16Å; V151-V571 HydrophobicContact CG2-CG2 4.13Å; P464-V571 HydrophobicContact CB-CG2 3.73Å; P464-V571 HydrophobicContact CG-CG2 3.97Å; T471-V571 HydrophobicContact CG2-CG1 4.44Å; S567-V571 VanDerWaalsContact O-CG2 3.3Å; S567-V571 WeakPolarHBondContact O-CG2 3.18Å; S567-V571 PolarHBondContact O-N 3.06Å; I568-V571 PolarHBondContact O-N 3.06Å; V571-Q573 PolarHBondContact O-N 3.06Å; V571-V574 PolarHBondContact O-N 3.45Å; V571-A575 WeakPolarHBondContact O-CB 3.3Å; V571-A575 PolarHBondContact O-N 3.04Å
572V90.9Very high88.6Confident0 Ų021.7 Ų21.70%011%0.114CC..Hα-helixtrans-64.8-40.1180171.80000111.8T471 P476 V479 F480 I568 M570 A575 F576T471-V572 HydrophobicContact CG2-CG2 3.69Å; P476-V572 HydrophobicContact CB-CG1 3.75Å; P476-V572 WeakPolarHBondContact O-CG1 3.26Å; V479-V572 HydrophobicContact CB-CG1 4.34Å; V479-V572 HydrophobicContact CB-CG2 4.17Å; V479-V572 HydrophobicContact CG1-CG2 3.89Å; F480-V572 HydrophobicContact CB-CG1 3.79Å; I568-V572 HydrophobicContact CG2-CG2 4.4Å; I568-V572 WeakPolarHBondContact O-CB 3.3Å; I568-V572 VanDerWaalsContact O-CG2 3.23Å; I568-V572 WeakPolarHBondContact O-CG2 3.18Å; I568-V572 PolarHBondContact O-N 3.02Å; I568-V572 VanDerWaalsContact O-N 3.08Å; M570-V572 VanDerWaalsContact C-N 3.34Å; M570-V572 PolarHBondContact O-N 3.11Å; V572-A575 WeakPolarHBondContact O-CB 3.31Å; V572-A575 PolarHBondContact O-N 3.48Å; V572-F576 PolarHBondContact O-N 2.98Å
573Q89.1Confident88.3Confident31 Ų3123.3 Ų23.315%0.14513%0.128CC..Hα-helixtrans-62.3-47.2176-172-169.9-55.600111.4F417 L421 F480 M569 M570 V571 A575 F576 H577 S597F417-Q573 HydrophobicContact CZ-CG 4.24Å; L421-Q573 HydrophobicContact CD2-CG 4.35Å; F480-Q573 HydrophobicContact CD2-CB 4.42Å; F480-Q573 HydrophobicContact CE2-CB 4.28Å; M569-Q573 WeakPolarHBondContact O-CB 3.2Å; M569-Q573 PolarHBondContact O-N 3.35Å; M570-Q573 PolarHBondContact O-N 3.42Å; V571-Q573 PolarHBondContact O-N 3.06Å; Q573-A575 VanDerWaalsContact C-N 3.3Å; Q573-A575 PolarHBondContact O-N 3.43Å; Q573-F576 WeakPolarHBondContact O-CB 3.5Å; Q573-F576 PolarHBondContact O-N 3.37Å; Q573-H577 PolarHBondContact O-CD2 3.4Å; Q573-H577 PolarHBondContact O-N 3.32Å; Q573-S597 PolarHBondContact NE2-OG 3.34Å
574V88.3Confident88Confident13 Ų1324.5 Ų24.58%0.07914%0.138CC..Hα-helixtrans-66-34.7177.3179.30000111.1M570 V571 H577 A578M570-V574 WeakPolarHBondContact O-CG2 3.5Å; M570-V574 PolarHBondContact O-N 2.65Å; V571-V574 PolarHBondContact O-N 3.45Å; V574-H577 WeakPolarHBondContact O-CB 3.47Å; V574-H577 PolarHBondContact O-N 3.38Å; V574-A578 PolarHBondContact O-N 3.07Å
575A89.7Confident87.9Confident9 Ų923.3 Ų23.37%0.07413%0.131CC..Hα-helixtrans-63.4-41.4173.600000111.7V571 V572 Q573 A578 K579V571-A575 WeakPolarHBondContact O-CB 3.3Å; V571-A575 PolarHBondContact O-N 3.04Å; V572-A575 WeakPolarHBondContact O-CB 3.31Å; V572-A575 PolarHBondContact O-N 3.48Å; Q573-A575 VanDerWaalsContact C-N 3.3Å; Q573-A575 PolarHBondContact O-N 3.43Å; A575-A578 PolarHBondContact O-N 3.15Å; A575-K579 WeakPolarHBondContact O-CB 3.42Å; A575-K579 PolarHBondContact O-N 3.31Å
576F91.2Very high87.6Confident3 Ų322.5 Ų22.51%0.01313%0.127CC..Hα-helixtrans-62.8-43.5172.9-177.1-108.4000111.5F417 P476 L477 V572 Q573 A578 K579 I580 Y734F417-F576 HydrophobicContact CD1-CE1 4.27Å; F417-F576 HydrophobicContact CD2-CD1 4.04Å; F417-F576 AromaticContact CD2-CE1 3.63Å; F417-F576 HydrophobicContact CD2-CE1 3.63Å; F417-F576 HydrophobicContact CE1-CD1 4.28Å; F417-F576 HydrophobicContact CE1-CE1 4.32Å; F417-F576 AromaticContact CE2-CD1 3.61Å; F417-F576 HydrophobicContact CE2-CD1 3.61Å; F417-F576 AromaticContact CE2-CE1 3.72Å; F417-F576 HydrophobicContact CE2-CE1 3.72Å; F417-F576 AromaticContact CG-CE1 3.92Å; F417-F576 HydrophobicContact CG-CE1 3.92Å; F417-F576 AromaticContact CZ-CD1 3.72Å; F417-F576 HydrophobicContact CZ-CD1 3.72Å; F417-F576 HydrophobicContact CZ-CE1 4.05Å; P476-F576 HydrophobicContact CB-CB 4.21Å; P476-F576 HydrophobicContact CG-CB 3.93Å; P476-F576 HydrophobicContact CG-CD2 3.73Å; P476-F576 HydrophobicContact CG-CG 4.3Å; L477-F576 HydrophobicContact CD1-CD1 4.35Å; L477-F576 HydrophobicContact CD1-CD2 4.04Å; L477-F576 HydrophobicContact CD1-CE1 3.97Å; L477-F576 HydrophobicContact CD1-CE2 3.61Å; L477-F576 HydrophobicContact CD1-CG 4.38Å; L477-F576 HydrophobicContact CD1-CZ 3.58Å; L477-F576 HydrophobicContact CD2-CB 4.38Å; L477-F576 HydrophobicContact CD2-CD1 3.98Å; L477-F576 HydrophobicContact CD2-CD2 4.32Å; L477-F576 HydrophobicContact CD2-CE1 4.33Å; L477-F576 HydrophobicContact CD2-CG 3.97Å; L477-F576 HydrophobicContact CG-CD1 4.31Å; L477-F576 HydrophobicContact CG-CD2 3.85Å; L477-F576 HydrophobicContact CG-CE1 4.42Å; L477-F576 HydrophobicContact CG-CE2 3.96Å; L477-F576 HydrophobicContact CG-CG 4.02Å; L477-F576 HydrophobicContact CG-CZ 4.25Å; V572-F576 PolarHBondContact O-N 2.98Å; Q573-F576 WeakPolarHBondContact O-CB 3.5Å; Q573-F576 PolarHBondContact O-N 3.37Å; F576-A578 PolarHBondContact O-N 3.2Å; F576-K579 WeakPolarHBondContact O-CB 3.33Å; F576-K579 PolarHBondContact O-N 2.79Å; F576-K579 VanDerWaalsContact O-N 3.16Å; F576-I580 HydrophobicContact CD1-CD1 4.19Å; F576-I580 HydrophobicContact CD2-CG2 4.2Å; F576-I580 HydrophobicContact CE1-CD1 3.7Å; F576-I580 HydrophobicContact CE1-CG2 4.26Å; F576-I580 HydrophobicContact CE2-CG2 3.76Å; F576-I580 HydrophobicContact CZ-CD1 4.17Å; F576-I580 HydrophobicContact CZ-CG2 3.79Å; F576-I580 WeakPolarHBondContact O-CG1 3.33Å; F576-I580 PolarHBondContact O-N 3.14Å; F576-I580 VanDerWaalsContact O-N 3.1Å; F576-Y734 HydrophobicContact CZ-CE1 4.14Å; F576-Y734 AromaticContact CZ-CZ 3.89Å
577H90.6Very high87.7Confident0 Ų020.9 Ų20.90%012%0.116CC..Hα-helixtrans-57.7-48175.5-66.9-173.9000112F417 Q573 V574 K579 I580 S581 M590 L593 N594F417-H577 AromaticContact CE1-CD2 3.8Å; F417-H577 AromaticContact CE1-NE2 3.35Å; F417-H577 WeakPolarHBondContact CE1-NE2 3.2Å; F417-H577 AromaticContact CZ-CD2 3.8Å; F417-H577 AromaticContact CZ-NE2 3.42Å; F417-H577 WeakPolarHBondContact CZ-NE2 3.24Å; Q573-H577 PolarHBondContact O-CD2 3.4Å; Q573-H577 PolarHBondContact O-N 3.32Å; V574-H577 WeakPolarHBondContact O-CB 3.47Å; V574-H577 PolarHBondContact O-N 3.38Å; H577-K579 VanDerWaalsContact C-N 3.29Å; H577-K579 PolarHBondContact O-N 3.22Å; H577-I580 PolarHBondContact O-N 2.94Å; H577-S581 VanDerWaalsContact O-CB 3.3Å; H577-S581 WeakPolarHBondContact O-CB 3.48Å; H577-S581 PolarHBondContact O-N 3.49Å; H577-S581 PolarHBondContact O-OG 3.3Å; H577-M590 VanDerWaalsContact C-SD 3.53Å; H577-M590 HydrophobicContact CB-CE 4.08Å; H577-M590 HydrophobicContact CB-SD 3.88Å; H577-L593 HydrophobicContact CB-CB 4.34Å; H577-L593 HydrophobicContact CB-CD1 3.72Å; H577-L593 PolarHBondContact CE1-O 2.96Å; H577-N594 PolarHBondContact CE1-OD1 2.94Å; H577-N594 PolarHBondContact ND1-OD1 3.27Å
578A89.1Confident88Confident2 Ų220.8 Ų20.82%0.01712%0.115CC..Hα-helixtrans-61.3-38177.700000111.9I135 L143 A146 V574 A575 F576 M590I135-A578 HydrophobicContact CG2-CB 4.11Å; L143-A578 HydrophobicContact CD1-CB 4.47Å; L143-A578 WeakPolarHBondContact CD2-O 3.48Å; L143-A578 HydrophobicContact CG-CB 4.31Å; A146-A578 HydrophobicContact CB-CB 4.39Å; V574-A578 PolarHBondContact O-N 3.07Å; A575-A578 PolarHBondContact O-N 3.15Å; F576-A578 PolarHBondContact O-N 3.2Å; A578-M590 HydrophobicContact CB-CE 4.38Å; A578-M590 HydrophobicContact CB-SD 4.41Å
579K88.4Confident88.1Confident81 Ų8119.2 Ų19.235%0.35211%0.107SC..Hα-helixtrans-67.3-36.7-179.9-174.9-175.8176.7-167.80113.4P474 A575 F576 H577P474-K579 PolarHBondContact O-NZ 3.11Å; A575-K579 WeakPolarHBondContact O-CB 3.42Å; A575-K579 PolarHBondContact O-N 3.31Å; F576-K579 WeakPolarHBondContact O-CB 3.33Å; F576-K579 PolarHBondContact O-N 2.79Å; F576-K579 VanDerWaalsContact O-N 3.16Å; H577-K579 VanDerWaalsContact C-N 3.29Å; H577-K579 PolarHBondContact O-N 3.22Å
580I88.9Confident88.1Confident9 Ų919.2 Ų19.25%0.04611%0.107CC..Hα-helixtrans-95.6-14.2-175.769.6171.6000113.9F576 H577 Y589 L593 Y734F576-I580 HydrophobicContact CD1-CD1 4.19Å; F576-I580 HydrophobicContact CD2-CG2 4.2Å; F576-I580 HydrophobicContact CE1-CD1 3.7Å; F576-I580 HydrophobicContact CE1-CG2 4.26Å; F576-I580 HydrophobicContact CE2-CG2 3.76Å; F576-I580 HydrophobicContact CZ-CD1 4.17Å; F576-I580 HydrophobicContact CZ-CG2 3.79Å; F576-I580 WeakPolarHBondContact O-CG1 3.33Å; F576-I580 PolarHBondContact O-N 3.14Å; F576-I580 VanDerWaalsContact O-N 3.1Å; H577-I580 PolarHBondContact O-N 2.94Å; I580-Y589 HydrophobicContact CG1-CE1 4.44Å; I580-L593 HydrophobicContact CD1-CD1 3.63Å; I580-L593 HydrophobicContact CD1-CD2 4.01Å; I580-L593 HydrophobicContact CD1-CG 4.48Å; I580-L593 HydrophobicContact CG1-CD1 3.64Å; I580-Y734 HydrophobicContact CB-CD1 4.32Å; I580-Y734 HydrophobicContact CB-CD2 4.13Å; I580-Y734 HydrophobicContact CB-CG 3.88Å; I580-Y734 HydrophobicContact CD1-CD1 3.86Å; I580-Y734 HydrophobicContact CD1-CE1 4.26Å; I580-Y734 HydrophobicContact CD1-CG 4.29Å; I580-Y734 HydrophobicContact CG2-CD1 4.35Å; I580-Y734 HydrophobicContact CG2-CD2 3.77Å; I580-Y734 HydrophobicContact CG2-CE2 3.97Å; I580-Y734 HydrophobicContact CG2-CG 3.97Å
581S88.9Confident88.4Confident9 Ų915.3 Ų15.36%0.0639%0.087CC..SBendtrans-74.3133.4-177.2-66.40000112H577 P583 Y589 M590H577-S581 VanDerWaalsContact O-CB 3.3Å; H577-S581 WeakPolarHBondContact O-CB 3.48Å; H577-S581 PolarHBondContact O-N 3.49Å; H577-S581 PolarHBondContact O-OG 3.3Å; S581-P583 WeakPolarHBondContact O-CD 3.01Å; S581-Y589 VanDerWaalsContact OG-CD1 3.29Å; S581-Y589 WeakPolarHBondContact OG-CD1 3.4Å; S581-M590 PolarHBondContact OG-SD 3.07Å
582D85.2Confident88.4Confident50 Ų5015.3 Ų15.327%0.2679%0.088SC..  trans-73.6121175.3-169.9-23.2000110.7A584 V585 G586 Y589D582-A584 PolarHBondContact O-N 3.28Å; D582-A584 VanDerWaalsContact O-N 3.15Å; D582-A584 VanDerWaalsContact OD1-CB 3.3Å; D582-A584 WeakPolarHBondContact OD1-CB 3.25Å; D582-A584 PolarHBondContact OD1-N 2.95Å; D582-V585 HydrophobicContact CB-CG2 4.12Å; D582-V585 CarbonylContact O-C 3.57Å; D582-V585 PolarHBondContact O-N 3.25Å; D582-V585 VanDerWaalsContact O-N 3.1Å; D582-G586 VanDerWaalsContact O-CA 3.22Å; D582-G586 WeakPolarHBondContact O-CA 3.32Å; D582-G586 PolarHBondContact O-N 2.83Å; D582-Y589 HydrophobicContact CB-CD2 4.06Å; D582-Y589 HydrophobicContact CB-CE2 4.46Å
583P83.8Confident88.3Confident67 Ų6715.4 Ų15.444%0.4359%0.088SC..G310 helixtrans-53.6-31.5175-26.135.8000114R64 S581 V585 G586R64-P583 PolarHBondContact NH2-O 3.5Å; S581-P583 WeakPolarHBondContact O-CD 3.01Å; P583-V585 PolarHBondContact O-N 3.13Å; P583-G586 PolarHBondContact O-N 2.94Å
584A80.8Confident88Confident32 Ų3215.2 Ų15.226%0.2649%0.088SC..G310 helixtrans-67.1-20.8-179.100000113.3R63 D582R63-A584 PolarHBondContact NH1-O 3.46Å; R63-A584 VanDerWaalsContact NH2-C 3.26Å; R63-A584 PolarHBondContact NH2-O 3.23Å; D582-A584 PolarHBondContact O-N 3.28Å; D582-A584 VanDerWaalsContact O-N 3.15Å; D582-A584 VanDerWaalsContact OD1-CB 3.3Å; D582-A584 WeakPolarHBondContact OD1-CB 3.25Å; D582-A584 PolarHBondContact OD1-N 2.95Å
585V85.2Confident87.7Confident4 Ų415 Ų152%0.0249%0.086CC..G310 helixtrans-135.539172-69.90000110.2D54 L396 T401 I404 D582 P583 G587 T588 Y589D54-V585 VanDerWaalsContact OD2-C 3.23Å; L396-V585 HydrophobicContact CD2-CG1 4.21Å; T401-V585 HydrophobicContact CG2-CG1 3.94Å; I404-V585 HydrophobicContact CD1-CG1 4.21Å; I404-V585 HydrophobicContact CG2-CG2 3.89Å; D582-V585 HydrophobicContact CB-CG2 4.12Å; D582-V585 CarbonylContact O-C 3.57Å; D582-V585 PolarHBondContact O-N 3.25Å; D582-V585 VanDerWaalsContact O-N 3.1Å; P583-V585 PolarHBondContact O-N 3.13Å; V585-G587 PolarHBondContact O-N 3.48Å; V585-T588 PolarHBondContact O-N 3.01Å; V585-Y589 HydrophobicContact CG2-CD2 4.27Å; V585-Y589 WeakPolarHBondContact O-CB 3.27Å; V585-Y589 PolarHBondContact O-N 3.03Å
586G86.6Confident87Confident0 Ų015.3 Ų15.30%09%0.088CC..Hα-helixtrans-57.2-41-166.300000115.6I135 D582 P583 M590I135-G586 VanDerWaalsContact CD1-CA 3.46Å; D582-G586 VanDerWaalsContact O-CA 3.22Å; D582-G586 WeakPolarHBondContact O-CA 3.32Å; D582-G586 PolarHBondContact O-N 2.83Å; P583-G586 PolarHBondContact O-N 2.94Å; G586-M590 VanDerWaalsContact O-CB 3.3Å; G586-M590 WeakPolarHBondContact O-CB 3.29Å; G586-M590 VanDerWaalsContact O-CG 3.28Å; G586-M590 WeakPolarHBondContact O-CG 3.45Å; G586-M590 PolarHBondContact O-N 3.23Å
587G88.5Confident86.2Confident0 Ų015.2 Ų15.20%09%0.087CC..Hα-helixtrans-67.8-46.7-178.400000111.3D54 I128 V585 T591D54-G587 PolarHBondContact OD2-N 2.94Å; I128-G587 VanDerWaalsContact O-CA 3.29Å; I128-G587 WeakPolarHBondContact O-CA 3.26Å; V585-G587 PolarHBondContact O-N 3.48Å; G587-T591 WeakPolarHBondContact O-CB 3.36Å; G587-T591 PolarHBondContact O-N 2.96Å; G587-T591 PolarHBondContact O-OG1 3.34Å
588T91.1Very high85.1Confident3 Ų320 Ų202%0.01811%0.113CC..Hα-helixtrans-63.2-44.9176.1-56.90000111A50 P51 D54 M405 V585 L592A50-T588 PolarHBondContact O-OG1 2.84Å; A50-T588 VanDerWaalsContact O-OG1 3.12Å; P51-T588 WeakPolarHBondContact CA-OG1 3.26Å; P51-T588 HydrophobicContact CG-CG2 3.8Å; D54-T588 WeakPolarHBondContact OD2-CA 3.36Å; D54-T588 WeakPolarHBondContact OD2-CB 3Å; D54-T588 PolarHBondContact OD2-N 3.37Å; D54-T588 PolarHBondContact OD2-OG1 3Å; M405-T588 HydrophobicContact CB-CG2 3.89Å; M405-T588 HydrophobicContact CG-CG2 3.83Å; M405-T588 HydrophobicContact SD-CG2 3.8Å; V585-T588 PolarHBondContact O-N 3.01Å; T588-L592 WeakPolarHBondContact O-CA 3.29Å; T588-L592 WeakPolarHBondContact O-CB 3.26Å; T588-L592 PolarHBondContact O-N 3.42Å
589Y90.4Very high83.7Confident4 Ų423.3 Ų23.32%0.01613%0.129CC..Hα-helixtrans-67.4-50.2-177.4-154.8-50.7000110.8V408 I580 S581 D582 V585 T591 L592 L593 Y734V408-Y589 HydrophobicContact CB-CE2 4.38Å; V408-Y589 HydrophobicContact CG1-CE1 3.93Å; V408-Y589 HydrophobicContact CG1-CE2 3.8Å; V408-Y589 VanDerWaalsContact CG1-CZ 3.45Å; V408-Y589 WeakPolarHBondContact CG1-OH 3.1Å; V408-Y589 HydrophobicContact CG2-CD2 4.16Å; V408-Y589 HydrophobicContact CG2-CE2 3.6Å; I580-Y589 HydrophobicContact CG1-CE1 4.44Å; S581-Y589 VanDerWaalsContact OG-CD1 3.29Å; S581-Y589 WeakPolarHBondContact OG-CD1 3.4Å; D582-Y589 HydrophobicContact CB-CD2 4.06Å; D582-Y589 HydrophobicContact CB-CE2 4.46Å; V585-Y589 HydrophobicContact CG2-CD2 4.27Å; V585-Y589 WeakPolarHBondContact O-CB 3.27Å; V585-Y589 PolarHBondContact O-N 3.03Å; Y589-T591 VanDerWaalsContact C-N 3.31Å; Y589-T591 PolarHBondContact O-N 2.92Å; Y589-L592 WeakPolarHBondContact O-CB 3.33Å; Y589-L592 PolarHBondContact O-N 3.38Å; Y589-L592 VanDerWaalsContact O-N 3.17Å; Y589-L593 HydrophobicContact CD1-CD1 3.73Å; Y589-L593 HydrophobicContact CD1-CG 3.78Å; Y589-L593 HydrophobicContact CE1-CD1 3.63Å; Y589-L593 HydrophobicContact CE1-CD2 3.95Å; Y589-L593 HydrophobicContact CE1-CG 3.69Å; Y589-L593 WeakPolarHBondContact O-CG 3.21Å; Y589-L593 PolarHBondContact O-N 2.72Å; Y589-Y734 PolarHBondContact OH-O 3.06Å
590M89.6Confident82Confident4 Ų419.7 Ų19.72%0.0212%0.115CC..Hα-helixtrans-60-44.4177.2-74-66.8-69.500111.2D131 I135 H577 A578 S581 G586 L592 L593 N594D131-M590 HydrophobicContact CB-CB 3.99Å; D131-M590 HydrophobicContact CB-CG 4.39Å; I135-M590 HydrophobicContact CG2-CG 4.36Å; I135-M590 HydrophobicContact CG2-SD 4.32Å; H577-M590 VanDerWaalsContact C-SD 3.53Å; H577-M590 HydrophobicContact CB-CE 4.08Å; H577-M590 HydrophobicContact CB-SD 3.88Å; A578-M590 HydrophobicContact CB-CE 4.38Å; A578-M590 HydrophobicContact CB-SD 4.41Å; S581-M590 PolarHBondContact OG-SD 3.07Å; G586-M590 VanDerWaalsContact O-CB 3.3Å; G586-M590 WeakPolarHBondContact O-CB 3.29Å; G586-M590 VanDerWaalsContact O-CG 3.28Å; G586-M590 WeakPolarHBondContact O-CG 3.45Å; G586-M590 PolarHBondContact O-N 3.23Å; M590-L592 PolarHBondContact O-N 3.18Å; M590-L593 PolarHBondContact O-N 2.91Å; M590-N594 WeakPolarHBondContact O-CB 3.23Å; M590-N594 PolarHBondContact O-N 3.01Å; M590-N594 PolarHBondContact O-ND2 3.09Å
591T91Very high80.1Confident0 Ų020.5 Ų20.50%012%0.122CC..Hα-helixtrans-60.6-45.3174.8-65.90000111.5K46 L47 A50 G587 Y589 L593 N594 T595K46-T591 HydrophobicContact CD-CG2 4.1Å; K46-T591 HydrophobicContact CG-CG2 3.68Å; L47-T591 HydrophobicContact CB-CG2 4.17Å; L47-T591 HydrophobicContact CD1-CG2 4.17Å; A50-T591 HydrophobicContact CB-CG2 3.95Å; G587-T591 WeakPolarHBondContact O-CB 3.36Å; G587-T591 PolarHBondContact O-N 2.96Å; G587-T591 PolarHBondContact O-OG1 3.34Å; Y589-T591 VanDerWaalsContact C-N 3.31Å; Y589-T591 PolarHBondContact O-N 2.92Å; T591-L593 PolarHBondContact O-N 3.14Å; T591-N594 PolarHBondContact O-N 3.12Å; T591-T595 VanDerWaalsContact O-CB 3.3Å; T591-T595 WeakPolarHBondContact O-CB 3.09Å; T591-T595 PolarHBondContact O-N 2.83Å; T591-T595 PolarHBondContact O-OG1 3.32Å; T591-T595 VanDerWaalsContact O-OG1 3.11Å
592L89.5Confident77.9Confident1 Ų123.2 Ų23.21%0.00513%0.134CC..Hα-helixtrans-57.7-52.3177.8175.668.2000110.1L47 M405 V408 I409 T588 Y589 M590 N594 T595 V596L47-L592 HydrophobicContact CD1-CB 3.87Å; L47-L592 HydrophobicContact CD1-CD1 3.84Å; L47-L592 HydrophobicContact CD2-CD1 3.87Å; M405-L592 HydrophobicContact CG-CD1 4.18Å; M405-L592 HydrophobicContact CG-CD2 4.15Å; V408-L592 HydrophobicContact CB-CD2 3.97Å; V408-L592 HydrophobicContact CG1-CD2 3.62Å; I409-L592 HydrophobicContact CD1-CD1 3.6Å; I409-L592 HydrophobicContact CG1-CD1 3.55Å; I409-L592 HydrophobicContact CG1-CD2 3.85Å; I409-L592 HydrophobicContact CG1-CG 4.24Å; T588-L592 WeakPolarHBondContact O-CA 3.29Å; T588-L592 WeakPolarHBondContact O-CB 3.26Å; T588-L592 PolarHBondContact O-N 3.42Å; Y589-L592 WeakPolarHBondContact O-CB 3.33Å; Y589-L592 PolarHBondContact O-N 3.38Å; Y589-L592 VanDerWaalsContact O-N 3.17Å; M590-L592 PolarHBondContact O-N 3.18Å; L592-N594 VanDerWaalsContact C-N 3.32Å; L592-N594 PolarHBondContact O-N 3.11Å; L592-T595 PolarHBondContact O-N 3.44Å; L592-V596 HydrophobicContact CD1-CG2 3.55Å; L592-V596 HydrophobicContact CG-CG2 3.98Å; L592-V596 WeakPolarHBondContact O-CA 3.48Å; L592-V596 WeakPolarHBondContact O-CB 3.39Å; L592-V596 WeakPolarHBondContact O-CG2 3.49Å; L592-V596 PolarHBondContact O-N 3.25Å
593L87.8Confident75.7Confident1 Ų125.8 Ų25.81%0.00515%0.147CC..Hα-helixtrans-62.8-37.6179.6-67.6176.6000112.9H577 I580 Y589 M590 T591 S597H577-L593 HydrophobicContact CB-CB 4.34Å; H577-L593 HydrophobicContact CB-CD1 3.72Å; H577-L593 PolarHBondContact CE1-O 2.96Å; I580-L593 HydrophobicContact CD1-CD1 3.63Å; I580-L593 HydrophobicContact CD1-CD2 4.01Å; I580-L593 HydrophobicContact CD1-CG 4.48Å; I580-L593 HydrophobicContact CG1-CD1 3.64Å; Y589-L593 HydrophobicContact CD1-CD1 3.73Å; Y589-L593 HydrophobicContact CD1-CG 3.78Å; Y589-L593 HydrophobicContact CE1-CD1 3.63Å; Y589-L593 HydrophobicContact CE1-CD2 3.95Å; Y589-L593 HydrophobicContact CE1-CG 3.69Å; Y589-L593 WeakPolarHBondContact O-CG 3.21Å; Y589-L593 PolarHBondContact O-N 2.72Å; M590-L593 PolarHBondContact O-N 2.91Å; T591-L593 PolarHBondContact O-N 3.14Å; L593-S597 WeakPolarHBondContact O-CB 3.44Å; L593-S597 PolarHBondContact O-N 2.85Å
594N83Confident73.4Confident27 Ų2729.5 Ų29.514%0.14416%0.156CC..Hα-helixtrans-65.6-49.4175.7-72.2-18.6000111.1H577 M590 T591 L592 S597 N598H577-N594 PolarHBondContact CE1-OD1 2.94Å; H577-N594 PolarHBondContact ND1-OD1 3.27Å; M590-N594 WeakPolarHBondContact O-CB 3.23Å; M590-N594 PolarHBondContact O-N 3.01Å; M590-N594 PolarHBondContact O-ND2 3.09Å; T591-N594 PolarHBondContact O-N 3.12Å; L592-N594 VanDerWaalsContact C-N 3.32Å; L592-N594 PolarHBondContact O-N 3.11Å; N594-S597 PolarHBondContact O-N 3.21Å; N594-N598 WeakPolarHBondContact O-CB 3.38Å; N594-N598 VanDerWaalsContact O-CG 3.23Å; N594-N598 PolarHBondContact O-N 2.89Å; N594-N598 PolarHBondContact O-ND2 3.18Å
595T81.8Confident71Confident8 Ų834.4 Ų34.45%0.04917%0.172CC..Hα-helixtrans-63.3-42.5176.5-65.80000110.9L47 T591 L592 N598 I599L47-T595 HydrophobicContact CB-CG2 4.12Å; L47-T595 HydrophobicContact CD2-CG2 3.77Å; T591-T595 VanDerWaalsContact O-CB 3.3Å; T591-T595 WeakPolarHBondContact O-CB 3.09Å; T591-T595 PolarHBondContact O-N 2.83Å; T591-T595 PolarHBondContact O-OG1 3.32Å; T591-T595 VanDerWaalsContact O-OG1 3.11Å; L592-T595 PolarHBondContact O-N 3.44Å; T595-N598 CarbonylContact O-C 3.58Å; T595-N598 PolarHBondContact O-N 3.42Å; T595-I599 HydrophobicContact CG2-CD1 3.4Å; T595-I599 VanDerWaalsContact CG2-CD1 3.4Å; T595-I599 HydrophobicContact CG2-CG1 3.96Å; T595-I599 VanDerWaalsContact O-CB 3.3Å; T595-I599 WeakPolarHBondContact O-CB 3.37Å; T595-I599 VanDerWaalsContact O-CG1 3.28Å; T595-I599 WeakPolarHBondContact O-CG1 3.25Å; T595-I599 PolarHBondContact O-N 3.34Å
596V75.1Confident68.3Low17 Ų1741.3 Ų41.310%0.10321%0.207CC..Hα-helixtrans-67.9-38.7178.51660000110.9L418 L592 N598 G600L418-V596 HydrophobicContact CD1-CG1 3.44Å; L418-V596 VanDerWaalsContact CD1-CG1 3.44Å; L418-V596 HydrophobicContact CD2-CB 4.31Å; L418-V596 HydrophobicContact CD2-CG1 3.13Å; L418-V596 WeakPolarHBondContact CD2-O 3.33Å; L418-V596 HydrophobicContact CG-CG1 3.22Å; L592-V596 HydrophobicContact CD1-CG2 3.55Å; L592-V596 HydrophobicContact CG-CG2 3.98Å; L592-V596 WeakPolarHBondContact O-CA 3.48Å; L592-V596 WeakPolarHBondContact O-CB 3.39Å; L592-V596 WeakPolarHBondContact O-CG2 3.49Å; L592-V596 PolarHBondContact O-N 3.25Å; V596-N598 VanDerWaalsContact C-N 3.27Å; V596-N598 PolarHBondContact O-N 3.48Å; V596-G600 WeakPolarHBondContact O-CA 3.46Å; V596-G600 PolarHBondContact O-N 3.39Å
597S74.8Confident65.4Low1 Ų149 Ų491%0.00724%0.243CC..Hα-helixtrans-63-34.4171.3177.80000112.5L421 K425 Q573 L593 N594 S601L421-S597 WeakPolarHBondContact CD1-OG 3.23Å; K425-S597 PolarHBondContact NZ-O 3.42Å; Q573-S597 PolarHBondContact NE2-OG 3.34Å; L593-S597 WeakPolarHBondContact O-CB 3.44Å; L593-S597 PolarHBondContact O-N 2.85Å; N594-S597 PolarHBondContact O-N 3.21Å; S597-S601 PolarHBondContact O-OG 3.12Å
598N67.7Low62.5Low99 Ų9953.7 Ų53.753%0.52928%0.281SS..Hα-helixtrans-80.2-43.2178.1-69.3-17.8000112.6N594 T595 V596 S601N594-N598 WeakPolarHBondContact O-CB 3.38Å; N594-N598 VanDerWaalsContact O-CG 3.23Å; N594-N598 PolarHBondContact O-N 2.89Å; N594-N598 PolarHBondContact O-ND2 3.18Å; T595-N598 CarbonylContact O-C 3.58Å; T595-N598 PolarHBondContact O-N 3.42Å; V596-N598 VanDerWaalsContact C-N 3.27Å; V596-N598 PolarHBondContact O-N 3.48Å; N598-S601 WeakPolarHBondContact O-CB 3.47Å; N598-S601 PolarHBondContact O-N 2.76Å; N598-S601 PolarHBondContact O-OG 2.85Å
599I60.9Low59.8Low72 Ų7255.2 Ų55.237%0.36930%0.298SS..Hα-helixtrans-70.8-34.2174.7-69.2177.7000110.1T595 S601 E602 L603T595-I599 HydrophobicContact CG2-CD1 3.4Å; T595-I599 VanDerWaalsContact CG2-CD1 3.4Å; T595-I599 HydrophobicContact CG2-CG1 3.96Å; T595-I599 VanDerWaalsContact O-CB 3.3Å; T595-I599 WeakPolarHBondContact O-CB 3.37Å; T595-I599 VanDerWaalsContact O-CG1 3.28Å; T595-I599 WeakPolarHBondContact O-CG1 3.25Å; T595-I599 PolarHBondContact O-N 3.34Å; I599-S601 CarbonylContact O-C 3.34Å; I599-S601 PolarHBondContact O-N 2.84Å; I599-S601 VanDerWaalsContact O-N 3.14Å; I599-E602 CarbonylContact O-C 3.52Å; I599-E602 VanDerWaalsContact O-CA 3.28Å; I599-E602 WeakPolarHBondContact O-CA 3.38Å; I599-E602 PolarHBondContact O-N 2.91Å; I599-L603 HydrophobicContact CG2-CB 4.02Å; I599-L603 HydrophobicContact CG2-CD1 3.89Å; I599-L603 HydrophobicContact CG2-CG 4.4Å; I599-L603 WeakPolarHBondContact O-CB 3.43Å; I599-L603 PolarHBondContact O-N 3.4Å
600G51.4Low57.6Low5 Ų558.5 Ų58.55%0.05232%0.322CS..Hα-helixtrans-55.6-32.717500000111.6T422 V596T422-G600 WeakPolarHBondContact CB-O 3.33Å; T422-G600 WeakPolarHBondContact CG2-O 3.18Å; T422-G600 PolarHBondContact OG1-O 3.47Å; V596-G600 WeakPolarHBondContact O-CA 3.46Å; V596-G600 PolarHBondContact O-N 3.39Å
601S48.4Very low55.3Low27 Ų2760.5 Ų60.519%0.18933%0.332CS..Hα-helixtrans-63.8-38.9167.34.20000112.9K425 S597 N598 I599 P612K425-S601 WeakPolarHBondContact CD-OG 3.2Å; K425-S601 PolarHBondContact NZ-OG 3.25Å; S597-S601 PolarHBondContact O-OG 3.12Å; N598-S601 WeakPolarHBondContact O-CB 3.47Å; N598-S601 PolarHBondContact O-N 2.76Å; N598-S601 PolarHBondContact O-OG 2.85Å; I599-S601 CarbonylContact O-C 3.34Å; I599-S601 PolarHBondContact O-N 2.84Å; I599-S601 VanDerWaalsContact O-N 3.14Å; S601-P612 VanDerWaalsContact O-CG 3.29Å; S601-P612 WeakPolarHBondContact O-CG 3.46Å
602E44.4Very low53.4Low66 Ų6662 Ų6231%0.30834%0.342SS..Hα-helixtrans-87.8-26.8-175.8-55.5-154.5160.400114.6I599 F604 F605 G609 S610I599-E602 CarbonylContact O-C 3.52Å; I599-E602 VanDerWaalsContact O-CA 3.28Å; I599-E602 WeakPolarHBondContact O-CA 3.38Å; I599-E602 PolarHBondContact O-N 2.91Å; E602-F604 PolarHBondContact O-N 3.05Å; E602-F604 VanDerWaalsContact O-N 3.11Å; E602-F605 PolarHBondContact O-N 3.15Å; E602-F605 VanDerWaalsContact O-O 3.05Å; E602-G609 PolarHBondContact OE2-N 3.33Å; E602-S610 PolarHBondContact OE1-N 3.17Å
603L38.8Very low51.9Low104 Ų10464 Ų6455%0.54536%0.356SS..THydrogen-bonded Turntrans-73.4-9.5-165.9-158.570.6000113.6W415 I599 F605W415-L603 HydrophobicContact CH2-CD2 4.03Å; W415-L603 HydrophobicContact CZ3-CD2 4.24Å; I599-L603 HydrophobicContact CG2-CB 4.02Å; I599-L603 HydrophobicContact CG2-CD1 3.89Å; I599-L603 HydrophobicContact CG2-CG 4.4Å; I599-L603 WeakPolarHBondContact O-CB 3.43Å; I599-L603 PolarHBondContact O-N 3.4Å; L603-F605 VanDerWaalsContact C-N 3.3Å; L603-F605 PolarHBondContact O-N 2.74Å
604F35Very low50.9Low145 Ų14567 Ų6764%0.63637%0.374SS*.THydrogen-bonded Turntrans-78-11.3178.6-165.7-115.8000113.7E602E602-F604 PolarHBondContact O-N 3.05Å; E602-F604 VanDerWaalsContact O-N 3.11Å
605F30.5Very low50.1Low135 Ų13567.2 Ų67.259%0.59238%0.38SS*.SBendtrans-148.8132166.3-67.6-74.7000110.5E602 L603 L611E602-F605 PolarHBondContact O-N 3.15Å; E602-F605 VanDerWaalsContact O-O 3.05Å; L603-F605 VanDerWaalsContact C-N 3.3Å; L603-F605 PolarHBondContact O-N 2.74Å; F605-L611 HydrophobicContact CB-CD2 4.46Å
606I27.8Very low49.6Very low148 Ų14868.5 Ų68.576%0.75939%0.385SS*.  trans-59.8145.1-163.1-67.6163.8000113.9
607E26.4Very low49.6Very low163 Ų16370.5 Ų70.576%0.76240%0.395SS*.SBendtrans78.3105.5163.7-78.9169.2-152.900120L611E607-L611 VanDerWaalsContact O-CD1 3.23Å; E607-L611 WeakPolarHBondContact O-CD1 3.24Å
608A27.9Very low49.6Very low97 Ų9774 Ų7480%0.80242%0.42SS*.SBendtrans59.591148.400000118.9
609G33.7Very low50.2Low36 Ų3673.3 Ų73.337%0.37142%0.415SS..SBendtrans78.8122.3146.400000115.4E602 L611E602-G609 PolarHBondContact OE2-N 3.33Å; G609-L611 VanDerWaalsContact C-N 3.3Å; G609-L611 PolarHBondContact O-N 2.96Å
610S43.8Very low51.2Low73 Ų7371 Ų7151%0.5140%0.403SS..  trans69.811.1169.472.30000117E602 P612 S613 T614E602-S610 PolarHBondContact OE1-N 3.17Å; S610-P612 VanDerWaalsContact C-CD 3.46Å; S610-S613 PolarHBondContact O-N 3.47Å; S610-T614 PolarHBondContact O-N 3.41Å
611L41.1Very low52.5Low46 Ų4678.4 Ų78.424%0.24144%0.437CS..Hα-helixtrans-66.2-28.6-164.7-113.797.3000118.6F605 E607 G609 S613 T614 A615F605-L611 HydrophobicContact CB-CD2 4.46Å; E607-L611 VanDerWaalsContact O-CD1 3.23Å; E607-L611 WeakPolarHBondContact O-CD1 3.24Å; G609-L611 VanDerWaalsContact C-N 3.3Å; G609-L611 PolarHBondContact O-N 2.96Å; L611-S613 VanDerWaalsContact C-N 3.32Å; L611-S613 PolarHBondContact O-N 2.96Å; L611-T614 VanDerWaalsContact CA-OG1 3.3Å; L611-T614 WeakPolarHBondContact CA-OG1 3.35Å; L611-T614 PolarHBondContact O-N 2.88Å; L611-T614 PolarHBondContact O-OG1 3.17Å; L611-A615 WeakPolarHBondContact O-CB 3.03Å; L611-A615 PolarHBondContact O-N 3.45Å
612P51.1Low54.1Low31 Ų3181.7 Ų81.720%0.20146%0.457CS..Hα-helixtrans-60.8-49.5178.1-21.632.4000109.8S601 S610 T614 A615 F616S601-P612 VanDerWaalsContact O-CG 3.29Å; S601-P612 WeakPolarHBondContact O-CG 3.46Å; S610-P612 VanDerWaalsContact C-CD 3.46Å; P612-T614 PolarHBondContact O-N 2.84Å; P612-A615 PolarHBondContact O-N 3.35Å; P612-F616 WeakPolarHBondContact O-CB 3.42Å; P612-F616 WeakPolarHBondContact O-CD2 3.09Å; P612-F616 PolarHBondContact O-N 3.39Å
613S59.1Low56.1Low44 Ų4481.2 Ų81.231%0.30846%0.457SS..Hα-helixtrans-62.3-44.9-179.8-49.60000111.4T433 S610 L611 L617T433-S613 VanDerWaalsContact CG2-CB 3.5Å; T433-S613 WeakPolarHBondContact CG2-OG 3.36Å; S610-S613 PolarHBondContact O-N 3.47Å; L611-S613 VanDerWaalsContact C-N 3.32Å; L611-S613 PolarHBondContact O-N 2.96Å; S613-L617 VanDerWaalsContact O-CB 3.23Å; S613-L617 WeakPolarHBondContact O-CB 3.25Å; S613-L617 WeakPolarHBondContact O-CD1 3.39Å; S613-L617 WeakPolarHBondContact O-CG 3.41Å; S613-L617 PolarHBondContact O-N 3.49Å
614T65.9Low58.3Low62 Ų6276.7 Ų76.738%0.3843%0.433SS..Hα-helixtrans-71.8-33-179.859.50000112.8S610 L611 P612 S618S610-T614 PolarHBondContact O-N 3.41Å; L611-T614 VanDerWaalsContact CA-OG1 3.3Å; L611-T614 WeakPolarHBondContact CA-OG1 3.35Å; L611-T614 PolarHBondContact O-N 2.88Å; L611-T614 PolarHBondContact O-OG1 3.17Å; P612-T614 PolarHBondContact O-N 2.84Å; T614-S618 VanDerWaalsContact O-CB 3.24Å; T614-S618 WeakPolarHBondContact O-CB 3.11Å; T614-S618 PolarHBondContact O-N 3.17Å; T614-S618 PolarHBondContact O-OG 3.44Å
615A66.5Low60.7Low32 Ų3276.3 Ų76.326%0.26443%0.431SS..Hα-helixtrans-68.6-46.1174.600000111.8L611 P612 S618 L619L611-A615 WeakPolarHBondContact O-CB 3.03Å; L611-A615 PolarHBondContact O-N 3.45Å; P612-A615 PolarHBondContact O-N 3.35Å; A615-S618 WeakPolarHBondContact CA-OG 3.28Å; A615-S618 PolarHBondContact O-N 3.34Å; A615-S618 PolarHBondContact O-OG 3.32Å; A615-L619 VanDerWaalsContact O-CG 3.29Å; A615-L619 WeakPolarHBondContact O-CG 3.11Å; A615-L619 PolarHBondContact O-N 3.29Å
616F72.6Confident63.3Low36 Ų3674.5 Ų74.516%0.15842%0.421CS..Hα-helixtrans-61.8-44.9173.6-78.9-60.7000110.8V426 A429 A430 P612 S618 L619 I620 E703V426-F616 HydrophobicContact CG1-CZ 4.17Å; A429-F616 HydrophobicContact CB-CD2 3.44Å; A429-F616 VanDerWaalsContact CB-CD2 3.44Å; A429-F616 HydrophobicContact CB-CE2 3.27Å; A429-F616 HydrophobicContact CB-CG 4.44Å; A429-F616 HydrophobicContact CB-CZ 4.09Å; A430-F616 HydrophobicContact CB-CD1 4.18Å; A430-F616 HydrophobicContact CB-CG 4.45Å; P612-F616 WeakPolarHBondContact O-CB 3.42Å; P612-F616 WeakPolarHBondContact O-CD2 3.09Å; P612-F616 PolarHBondContact O-N 3.39Å; F616-S618 VanDerWaalsContact C-N 3.32Å; F616-S618 PolarHBondContact O-N 3.35Å; F616-L619 HydrophobicContact CD1-CD1 4.49Å; F616-L619 PolarHBondContact O-N 2.8Å; F616-I620 PolarHBondContact O-N 3.25Å; F616-E703 WeakPolarHBondContact CA-OE1 3.48Å; F616-E703 WeakPolarHBondContact CB-OE1 3.34Å; F616-E703 HydrophobicContact CD1-CG 4.23Å; F616-E703 WeakPolarHBondContact CD1-OE1 3.02Å; F616-E703 WeakPolarHBondContact CG-OE1 3.42Å
617L73.4Confident65.9Low58 Ų5868.7 Ų68.730%0.30439%0.394SS..Hα-helixtrans-60.1-38.7173.2-71.4167.2000113.2I434 L437 S613 L619 I620I434-L617 HydrophobicContact CG1-CD2 3.92Å; L437-L617 HydrophobicContact CD1-CD1 4.32Å; L437-L617 HydrophobicContact CD1-CD2 3.48Å; L437-L617 VanDerWaalsContact CD1-CD2 3.48Å; S613-L617 VanDerWaalsContact O-CB 3.23Å; S613-L617 WeakPolarHBondContact O-CB 3.25Å; S613-L617 WeakPolarHBondContact O-CD1 3.39Å; S613-L617 WeakPolarHBondContact O-CG 3.41Å; S613-L617 PolarHBondContact O-N 3.49Å; L617-L619 VanDerWaalsContact C-N 3.31Å; L617-L619 PolarHBondContact O-N 2.61Å; L617-I620 HydrophobicContact CD2-CD1 3.9Å; L617-I620 WeakPolarHBondContact O-CB 3.45Å; L617-I620 PolarHBondContact O-N 3.31Å
618S76.2Confident68.6Low76 Ų7661.3 Ų61.353%0.53136%0.361SS..Hα-helixtrans-74.6-20.8179.674.40000113.3T614 A615 F616 P622T614-S618 VanDerWaalsContact O-CB 3.24Å; T614-S618 WeakPolarHBondContact O-CB 3.11Å; T614-S618 PolarHBondContact O-N 3.17Å; T614-S618 PolarHBondContact O-OG 3.44Å; A615-S618 WeakPolarHBondContact CA-OG 3.28Å; A615-S618 PolarHBondContact O-N 3.34Å; A615-S618 PolarHBondContact O-OG 3.32Å; F616-S618 VanDerWaalsContact C-N 3.32Å; F616-S618 PolarHBondContact O-N 3.35Å; S618-P622 WeakPolarHBondContact O-CD 3.49Å; S618-P622 WeakPolarHBondContact O-CG 3.35Å
619L79.8Confident71.2Confident84 Ų8460.8 Ų60.844%0.4434%0.343SS..Hα-helixtrans-76.2-22.9173-73170.7000113A615 F616 L617 E621 P622 L623A615-L619 VanDerWaalsContact O-CG 3.29Å; A615-L619 WeakPolarHBondContact O-CG 3.11Å; A615-L619 PolarHBondContact O-N 3.29Å; F616-L619 HydrophobicContact CD1-CD1 4.49Å; F616-L619 PolarHBondContact O-N 2.8Å; L617-L619 VanDerWaalsContact C-N 3.31Å; L617-L619 PolarHBondContact O-N 2.61Å; L619-E621 PolarHBondContact O-N 3.27Å; L619-P622 WeakPolarHBondContact O-CD 3.48Å; L619-L623 HydrophobicContact CB-CD1 4.26Å; L619-L623 WeakPolarHBondContact O-CB 3.23Å; L619-L623 WeakPolarHBondContact O-CD1 3.44Å; L619-L623 WeakPolarHBondContact O-CG 3.47Å; L619-L623 PolarHBondContact O-N 2.93Å; L619-L623 VanDerWaalsContact O-N 3.13Å
620I80.7Confident73.3Confident23 Ų2360.6 Ų60.612%0.11833%0.334CS..Hα-helixtrans-59.1-50.6-180-60.9170.7000111.3I434 F616 L617 L623 T624 E703I434-I620 HydrophobicContact CB-CD1 4.37Å; I434-I620 HydrophobicContact CD1-CD1 3.57Å; I434-I620 HydrophobicContact CD1-CG1 3.85Å; I434-I620 HydrophobicContact CG1-CD1 3.79Å; I434-I620 HydrophobicContact CG2-CD1 3.61Å; F616-I620 PolarHBondContact O-N 3.25Å; L617-I620 HydrophobicContact CD2-CD1 3.9Å; L617-I620 WeakPolarHBondContact O-CB 3.45Å; L617-I620 PolarHBondContact O-N 3.31Å; I620-L623 PolarHBondContact O-N 3.44Å; I620-T624 VanDerWaalsContact O-CB 3.28Å; I620-T624 WeakPolarHBondContact O-CB 3.45Å; I620-T624 PolarHBondContact O-N 2.86Å; I620-T624 PolarHBondContact O-OG1 3.29Å; I620-E703 WeakPolarHBondContact CG1-OE2 2.99Å
621E80Confident74.6Confident161 Ų16163.6 Ų63.675%0.75234%0.338SS*.Hα-helixtrans-63.2-46.7-174.5-71.7-172.1-179.700112.8L619 L623 T624L619-E621 PolarHBondContact O-N 3.27Å; E621-L623 VanDerWaalsContact C-N 3.32Å; E621-L623 PolarHBondContact O-N 3.33Å; E621-T624 PolarHBondContact O-N 3.5Å
622P81.9Confident75.5Confident95 Ų9568.8 Ų68.862%0.61736%0.361SS*.Hα-helixtrans-59.1-38172-25.833.7000114.1S618 L619 T624S618-P622 WeakPolarHBondContact O-CD 3.49Å; S618-P622 WeakPolarHBondContact O-CG 3.35Å; L619-P622 WeakPolarHBondContact O-CD 3.48Å; P622-T624 VanDerWaalsContact C-N 3.34Å
623L85.6Confident75.5Confident57 Ų5772.7 Ų72.730%0.29838%0.375SS..Hα-helixtrans-78.8-17.2-179.5-67.6172.2000113L619 I620 E621 L702 E703L619-L623 HydrophobicContact CB-CD1 4.26Å; L619-L623 WeakPolarHBondContact O-CB 3.23Å; L619-L623 WeakPolarHBondContact O-CD1 3.44Å; L619-L623 WeakPolarHBondContact O-CG 3.47Å; L619-L623 PolarHBondContact O-N 2.93Å; L619-L623 VanDerWaalsContact O-N 3.13Å; I620-L623 PolarHBondContact O-N 3.44Å; E621-L623 VanDerWaalsContact C-N 3.32Å; E621-L623 PolarHBondContact O-N 3.33Å; L623-L702 HydrophobicContact CD2-CD2 4.02Å; L623-E703 HydrophobicContact CD1-CB 4.48Å
624T85.8Confident74.8Confident8 Ų876.4 Ų76.45%0.04939%0.391CS..  trans-85.8118-178.2-610000111.5I620 E621 P622 R626 T695 L697 G699I620-T624 VanDerWaalsContact O-CB 3.28Å; I620-T624 WeakPolarHBondContact O-CB 3.45Å; I620-T624 PolarHBondContact O-N 2.86Å; I620-T624 PolarHBondContact O-OG1 3.29Å; E621-T624 PolarHBondContact O-N 3.5Å; P622-T624 VanDerWaalsContact C-N 3.34Å; T624-R626 HydrophobicContact CG2-CG 3.95Å; T624-T695 HydrophobicContact CG2-CG2 4.49Å; T624-L697 CarbonylContact C-O 3.33Å; T624-L697 VanDerWaalsContact CA-O 3.31Å; T624-L697 WeakPolarHBondContact CA-O 3.21Å; T624-L697 WeakPolarHBondContact CG2-O 3.43Å; T624-G699 PolarHBondContact OG1-N 3.32Å
625K85.4Confident73.8Confident137 Ų13781 Ų8160%0.59641%0.409SS*.EExtended strand (participates in β ladder)trans-98.8121.8173-61.6-176179179.80110.5Q696 L697K625-Q696 PolarHBondContact O-N 2.03Å; K625-L697 HydrophobicContact CB-CB 4.04Å; K625-L697 HydrophobicContact CD-CD2 4.41Å; K625-L697 HydrophobicContact CG-CB 4.44Å; K625-L697 HydrophobicContact CG-CD2 4.46Å; K625-L697 PolarHBondContact N-O 2.87Å; K625-L697 PolarHBondContact O-N 2.95Å; K625-L697 VanDerWaalsContact O-N 3.13Å
626R84.2Confident72.6Confident98 Ų9883.4 Ų83.437%0.3742%0.42SS..EExtended strand (participates in β ladder)trans-118.5144.3177.7-59-178.7177.4-153.3-0.3109.6T624 C677 I694 T695T624-R626 HydrophobicContact CG2-CG 3.95Å; R626-C677 HydrophobicContact CB-CB 3.76Å; R626-C677 WeakPolarHBondContact CD-O 3.46Å; R626-I694 WeakPolarHBondContact CA-O 3.24Å; R626-T695 HydrophobicContact CG-CG2 3.89Å
627A83.2Confident71.4Confident25 Ų2585 Ų8521%0.20743%0.429CS..EExtended strand (participates in β ladder)trans-130143.7176.600000110.1I694 Q696A627-I694 PolarHBondContact N-O 2.03Å; A627-I694 WeakPolarHBondContact O-CG1 3.47Å; A627-I694 PolarHBondContact O-N 2.79Å; A627-Q696 HydrophobicContact CB-CG 4.09Å
628C83.8Confident70.2Confident9 Ų987 Ų876%0.06144%0.439CS..EExtended strand (participates in β ladder)trans-86.9115.4170.3-176.50000108.8I670 A675 C686C628-I670 HydrophobicContact CB-CG1 4.49Å; C628-I670 WeakPolarHBondContact O-CD1 3.05Å; C628-A675 HydrophobicContact CB-CB 4.29Å; C628-C686 VanDerWaalsContact CA-SG 3.57Å; C628-C686 HydrophobicContact CB-CB 3.83Å; C628-C686 WeakPolarHBondContact CB-SG 3.19Å; C628-C686 WeakPolarHBondContact SG-CA 3.32Å; C628-C686 WeakPolarHBondContact SG-CB 3.23Å; C628-C686 CovalentContact SG-SG 2.03Å; C628-C686 PolarHBondContact SG-SG 3.43Å
629I81.4Confident68.8Low85 Ų8589.7 Ų89.744%0.43644%0.443SS..EExtended strand (participates in β ladder)trans-99116.4171.1-66.3-179.5000108K631 G691 T692 I694I629-K631 PolarHBondContact O-N 3.07Å; I629-G691 CarbonylContact O-C 3.49Å; I629-G691 VanDerWaalsContact O-CA 3.23Å; I629-G691 WeakPolarHBondContact O-CA 3.45Å; I629-T692 PolarHBondContact N-O 3.13Å; I629-T692 PolarHBondContact O-N 3.29Å; I629-T692 PolarHBondContact O-OG1 3.37Å; I629-I694 HydrophobicContact CD1-CD1 3.25Å; I629-I694 HydrophobicContact CD1-CG1 3.62Å; I629-I694 HydrophobicContact CD1-CG2 4.46Å; I629-I694 HydrophobicContact CG1-CD1 3.99Å; I629-I694 HydrophobicContact CG1-CG1 3.87Å
630L79Confident67Low33 Ų3388.3 Ų88.317%0.17344%0.44CS..EExtended strand (participates in β ladder)trans-60.5125.3170-70.7159.3000109E632 K666 I689L630-E632 PolarHBondContact O-N 3.43Å; L630-E632 VanDerWaalsContact O-N 3.13Å; L630-K666 HydrophobicContact CD1-CB 4.13Å; L630-K666 HydrophobicContact CD1-CG 4.04Å; L630-I689 HydrophobicContact CD2-CB 4.02Å; L630-I689 HydrophobicContact CD2-CD1 3.94Å; L630-I689 HydrophobicContact CD2-CG1 3.78Å; L630-I689 WeakPolarHBondContact CD2-O 3.48Å
631K69.5Low65.4Low135 Ų13591.7 Ų91.759%0.58746%0.458SS*.PPolyproline II helixtrans-63118.7169.1-68.4-174.9-176.8-1790106.3I629 F633 H690 T692I629-K631 PolarHBondContact O-N 3.07Å; K631-F633 VanDerWaalsContact C-N 3.28Å; K631-F633 PolarHBondContact O-N 3.32Å; K631-H690 WeakPolarHBondContact CB-O 3.3Å; K631-H690 PolarHBondContact N-O 3.46Å; K631-T692 HydrophobicContact CD-CG2 4.26Å; K631-T692 HydrophobicContact CG-CG2 4.11Å
632E60.3Low63.9Low156 Ų15690.1 Ų90.173%0.72945%0.45SS*.  trans-62.999.6170.6-72.9-173.6163.700107L630 N634 K666L630-E632 PolarHBondContact O-N 3.43Å; L630-E632 VanDerWaalsContact O-N 3.13Å; E632-N634 VanDerWaalsContact C-N 3.28Å; E632-N634 PolarHBondContact O-N 2.87Å; E632-K666 IonicContact OE1-NZ 2.83Å; E632-K666 PolarHBondContact OE1-NZ 2.93Å
633F52.1Low62.4Low113 Ų11389 Ų8950%0.49645%0.445SS..  trans-62.7104.4168.4-123-105.3000104.9K631 Q635 I637K631-F633 VanDerWaalsContact C-N 3.28Å; K631-F633 PolarHBondContact O-N 3.32Å; F633-Q635 PolarHBondContact O-N 2.88Å; F633-I637 HydrophobicContact CD1-CB 3.81Å; F633-I637 HydrophobicContact CD1-CD1 3.72Å; F633-I637 HydrophobicContact CD1-CG1 4.26Å; F633-I637 HydrophobicContact CD1-CG2 3.98Å; F633-I637 HydrophobicContact CE1-CB 4.02Å; F633-I637 HydrophobicContact CE1-CD1 3.27Å; F633-I637 HydrophobicContact CE1-CG1 4.18Å; F633-I637 HydrophobicContact CE1-CG2 3.85Å; F633-I637 HydrophobicContact CZ-CD1 4.19Å
634N42.9Very low60.5Low121 Ų12192.2 Ų92.265%0.64746%0.463SS*.  trans-32.8123.8174.7-120.8-3.2000108.8E632 T636 I637E632-N634 VanDerWaalsContact C-N 3.28Å; E632-N634 PolarHBondContact O-N 2.87Å; N634-T636 WeakPolarHBondContact CB-OG1 3.23Å; N634-T636 PolarHBondContact O-N 2.65Å; N634-I637 PolarHBondContact O-N 3.19Å
635Q46.6Very low58.7Low160 Ų16096.3 Ų96.375%0.74848%0.484SS*.Hα-helixtrans-46.3-21.3-179.2-75.7172.5-26.800113F633 I637 I638 Q639F633-Q635 PolarHBondContact O-N 2.88Å; Q635-I637 VanDerWaalsContact C-N 3.34Å; Q635-I637 PolarHBondContact O-N 3.45Å; Q635-I638 PolarHBondContact O-N 3.29Å; Q635-Q639 PolarHBondContact O-N 3.03Å; Q635-Q639 VanDerWaalsContact O-N 3.1Å
636T41.5Very low56.9Low81 Ų8194.1 Ų94.150%0.49749%0.486SS..Hα-helixtrans-61.6-27.2175.350.60000115.3N634 S640N634-T636 WeakPolarHBondContact CB-OG1 3.23Å; N634-T636 PolarHBondContact O-N 2.65Å; T636-S640 PolarHBondContact O-N 3.47Å
637I46.9Very low55Low71 Ų7197 Ų9736%0.36451%0.508SS..Hα-helixtrans-83.7-32.9175.8-65178.1000111.7F633 N634 Q635 Q639 S640 I641F633-I637 HydrophobicContact CD1-CB 3.81Å; F633-I637 HydrophobicContact CD1-CD1 3.72Å; F633-I637 HydrophobicContact CD1-CG1 4.26Å; F633-I637 HydrophobicContact CD1-CG2 3.98Å; F633-I637 HydrophobicContact CE1-CB 4.02Å; F633-I637 HydrophobicContact CE1-CD1 3.27Å; F633-I637 HydrophobicContact CE1-CG1 4.18Å; F633-I637 HydrophobicContact CE1-CG2 3.85Å; F633-I637 HydrophobicContact CZ-CD1 4.19Å; N634-I637 PolarHBondContact O-N 3.19Å; Q635-I637 VanDerWaalsContact C-N 3.34Å; Q635-I637 PolarHBondContact O-N 3.45Å; I637-Q639 VanDerWaalsContact C-N 3.27Å; I637-Q639 PolarHBondContact O-N 3.24Å; I637-S640 WeakPolarHBondContact CA-OG 3.34Å; I637-S640 PolarHBondContact O-N 2.87Å; I637-S640 VanDerWaalsContact O-N 3.11Å; I637-S640 PolarHBondContact O-OG 2.85Å; I637-I641 HydrophobicContact CG2-CD1 3.96Å; I637-I641 HydrophobicContact CG2-CG1 4.41Å; I637-I641 WeakPolarHBondContact O-CG1 3.34Å; I637-I641 PolarHBondContact O-N 3.37Å
638I47.1Very low53Low99 Ų99102.8 Ų102.851%0.50853%0.534SS..Hα-helixtrans-63.7-37.5171.8-63.8176.3000110Q635 I641 H642Q635-I638 PolarHBondContact O-N 3.29Å; I638-I641 PolarHBondContact O-N 3.42Å; I638-H642 PolarHBondContact O-CD2 3.28Å; I638-H642 PolarHBondContact O-N 2.87Å
639Q47.5Very low50.8Low133 Ų133109.4 Ų109.462%0.62157%0.57SS**Hα-helixtrans-64.9-37.7171.8-72.4176-16.200112.8Q635 I637 I641 H642 S643Q635-Q639 PolarHBondContact O-N 3.03Å; Q635-Q639 VanDerWaalsContact O-N 3.1Å; I637-Q639 VanDerWaalsContact C-N 3.27Å; I637-Q639 PolarHBondContact O-N 3.24Å; Q639-I641 VanDerWaalsContact C-N 3.35Å; Q639-I641 PolarHBondContact O-N 3.18Å; Q639-H642 PolarHBondContact O-N 3.32Å; Q639-S643 PolarHBondContact O-N 3.43Å; Q639-S643 VanDerWaalsContact O-N 3.11Å; Q639-S643 PolarHBondContact O-OG 3.41Å
640S42.8Very low48.8Very low54 Ų54112.7 Ų112.738%0.37859%0.588SS.*Hα-helixtrans-72-25.4178.173.60000114.5T636 I637 S643T636-S640 PolarHBondContact O-N 3.47Å; I637-S640 WeakPolarHBondContact CA-OG 3.34Å; I637-S640 PolarHBondContact O-N 2.87Å; I637-S640 VanDerWaalsContact O-N 3.11Å; I637-S640 PolarHBondContact O-OG 2.85Å; S640-S643 PolarHBondContact O-OG 2.86Å
641I47Very low47.1Very low94 Ų94117.1 Ų117.148%0.48262%0.617SS.*Hα-helixtrans-81.5-34.6174.9-66.6168.8000110I637 I638 Q639 N644 N645I637-I641 HydrophobicContact CG2-CD1 3.96Å; I637-I641 HydrophobicContact CG2-CG1 4.41Å; I637-I641 WeakPolarHBondContact O-CG1 3.34Å; I637-I641 PolarHBondContact O-N 3.37Å; I638-I641 PolarHBondContact O-N 3.42Å; Q639-I641 VanDerWaalsContact C-N 3.35Å; Q639-I641 PolarHBondContact O-N 3.18Å; I641-N644 PolarHBondContact O-N 2.96Å; I641-N645 PolarHBondContact O-N 2.78Å
642H47.8Very low45.8Very low128 Ų128117 Ų11759%0.59363%0.627SS**Hα-helixtrans-69.2-29.3174.2-90.6-85.9000113.7I638 Q639 N644I638-H642 PolarHBondContact O-CD2 3.28Å; I638-H642 PolarHBondContact O-N 2.87Å; Q639-H642 PolarHBondContact O-N 3.32Å; H642-N644 VanDerWaalsContact C-N 3.29Å; H642-N644 PolarHBondContact O-N 2.92Å
643S49.9Very low44.6Very low73 Ų73116.8 Ų116.851%0.5163%0.631SS.*THydrogen-bonded Turntrans-73.4-16.4174.656.40000114.4Q639 S640 S646Q639-S643 PolarHBondContact O-N 3.43Å; Q639-S643 VanDerWaalsContact O-N 3.11Å; Q639-S643 PolarHBondContact O-OG 3.41Å; S640-S643 PolarHBondContact O-OG 2.86Å; S643-S646 PolarHBondContact O-OG 2.9Å
644N46.4Very low43.9Very low124 Ų124118.8 Ų118.866%0.66365%0.647SS**THydrogen-bonded Turntrans-96.8-12177.5-75.5-16.5000113.5I641 H642I641-N644 PolarHBondContact O-N 2.96Å; H642-N644 VanDerWaalsContact C-N 3.29Å; H642-N644 PolarHBondContact O-N 2.92Å
645N48.3Very low43.4Very low93 Ų93119.9 Ų119.950%0.49765%0.653SS.*G310 helixtrans-92.9-1177.3-76-24.2000114I641 L647 L648I641-N645 PolarHBondContact O-N 2.78Å; N645-L647 PolarHBondContact O-N 3.23Å; N645-L648 PolarHBondContact O-N 3.08Å
646S47Very low42.8Very low92 Ų92119.2 Ų119.264%0.64365%0.654SS**G310 helixtrans-73.10.8171.657.90000114.1S643S643-S646 PolarHBondContact O-OG 2.9Å
647L44.3Very low42.3Very low158 Ų158126.2 Ų126.283%0.82767%0.673SS**G310 helixtrans-103.22.1174.4-93.6151.8000114N645N645-L647 PolarHBondContact O-N 3.23Å
648L41.3Very low41.6Very low146 Ų146130.9 Ų130.976%0.76470%0.699SS**SBendtrans-113.24176.9-107.8101.2000115.4N645 N650N645-L648 PolarHBondContact O-N 3.08Å; L648-N650 VanDerWaalsContact C-N 3.29Å; L648-N650 PolarHBondContact O-N 3.16Å
649N38.1Very low40.9Very low149 Ų149133.7 Ų133.780%0.79771%0.71SS**  trans-90.138.1-179.8-94.75000114.5
650N39.4Very low40.1Very low153 Ų153131.4 Ų131.482%0.81871%0.708SS**  trans-113.770.5166.6-85.4-12.2000109.3L648L648-N650 VanDerWaalsContact C-N 3.29Å; L648-N650 PolarHBondContact O-N 3.16Å
651T43.1Very low39.5Very low127 Ų127139.9 Ų139.978%0.77973%0.734SS**SBendtrans179127.913922.30000110.6
652T40.7Very low38.7Very low131 Ų131139.7 Ų139.780%0.80474%0.741SS**  trans70.689157.7580000118.4
653N35.9Very low38.2Very low153 Ų153141.8 Ų141.882%0.81875%0.748SS**  trans-3.5118.2130.1-63.5-18.3000115
654N37.2Very low38.2Very low155 Ų155146.5 Ų146.583%0.82976%0.76SS**  -165.7126.7124.6-94.6-17.3000110.7
655D33.1Very low38.6Very low143 Ų143142.8 Ų142.877%0.76574%0.74SS**  trans-36.1151.7172.3-56.7-52.5000116.5
656N33.2Very low39.3Very low147 Ų147143.1 Ų143.179%0.78674%0.737SS**  trans103.268.5168-54.3-37000117.5
657Y31.4Very low40.1Very low228 Ų228145.4 Ų145.489%0.89474%0.737SS**  trans-134.855153.5-90-82.5000111.7
658N31.4Very low41.1Very low169 Ų169144 Ų14490%0.90473%0.725SS**  trans-96.874.4156.3-78.7-19.4000108.2
659H33.5Very low42.3Very low158 Ų158139 Ų13973%0.73170%0.699SS**SBendtrans-154.7121.3165.8-138.7-78.5000111.2
660S29.7Very low43.7Very low84 Ų84134.2 Ų134.259%0.58767%0.673SS**  trans60.378.4152.850.30000119S662S660-S662 VanDerWaalsContact C-N 3.32Å
661Y30.8Very low45.3Very low233 Ų233134.1 Ų134.191%0.91467%0.667SS**  trans-99.360.1145.4-73-83.2000109.3
662S29.7Very low46.7Very low90 Ų90135.2 Ų135.263%0.62966%0.663SS**SBendtrans-128.8117.317058.20000107.3S660S660-S662 VanDerWaalsContact C-N 3.32Å
663F37.8Very low48Very low172 Ų172134.3 Ų134.375%0.75465%0.646SS**  trans6380.2167.3-143.2-104000114D665F663-D665 HydrophobicContact CD1-CB 4.16Å; F663-D665 WeakPolarHBondContact CE1-OD1 3.43Å; F663-D665 PolarHBondContact O-N 2.89Å
664F48.8Very low49.9Very low171 Ų171131.4 Ų131.475%0.7563%0.631SS**  trans-56.2104.1149.6-117.2-80.9000105.4K666 L669F664-K666 PolarHBondContact O-N 2.65Å; F664-L669 HydrophobicContact CD1-CD1 3.5Å; F664-L669 VanDerWaalsContact CD1-CD1 3.5Å; F664-L669 HydrophobicContact CD1-CG 4.48Å; F664-L669 HydrophobicContact CE1-CD1 3.79Å
665D55.4Low51.8Low46 Ų46124.2 Ų124.225%0.24659%0.592CS.*  trans-66.587.4-173.3-150.6-8.8000106.3F663 E667 K668 L669F663-D665 HydrophobicContact CD1-CB 4.16Å; F663-D665 WeakPolarHBondContact CE1-OD1 3.43Å; F663-D665 PolarHBondContact O-N 2.89Å; D665-E667 PolarHBondContact O-N 2.83Å; D665-K668 HydrophobicContact CB-CB 4Å; D665-K668 HydrophobicContact CB-CD 3.85Å; D665-K668 HydrophobicContact CB-CG 3.88Å; D665-K668 WeakPolarHBondContact O-CA 3.49Å; D665-K668 WeakPolarHBondContact O-CB 3.48Å; D665-K668 PolarHBondContact O-N 3.25Å; D665-K668 VanDerWaalsContact OD2-CD 3.31Å; D665-K668 WeakPolarHBondContact OD2-CD 3.38Å; D665-K668 WeakPolarHBondContact OD2-CE 3.41Å; D665-K668 IonicContact OD2-NZ 3.17Å; D665-K668 PolarHBondContact OD2-NZ 3.13Å; D665-K668 VanDerWaalsContact OD2-NZ 3.17Å; D665-L669 PolarHBondContact O-N 3.5Å
666K63.5Low53.9Low101 Ų101120 Ų12044%0.43957%0.572SS.*Hα-helixtrans-50.8-34.6-173.1-71.8-177.8178.2179.40109.7L630 E632 F664 L669 I670L630-K666 HydrophobicContact CD1-CB 4.13Å; L630-K666 HydrophobicContact CD1-CG 4.04Å; E632-K666 IonicContact OE1-NZ 2.83Å; E632-K666 PolarHBondContact OE1-NZ 2.93Å; F664-K666 PolarHBondContact O-N 2.65Å; K666-L669 PolarHBondContact O-N 3.47Å; K666-I670 WeakPolarHBondContact O-CD1 3.47Å; K666-I670 VanDerWaalsContact O-CG1 3.27Å; K666-I670 WeakPolarHBondContact O-CG1 3.29Å; K666-I670 PolarHBondContact O-N 2.81Å
667E63.5Low56.1Low139 Ų139113 Ų11365%0.6554%0.535SS*.Hα-helixtrans-64.9-41.1175.2-62.6-169.9169.100113.4D665 I670 Q671D665-E667 PolarHBondContact O-N 2.83Å; E667-I670 PolarHBondContact O-N 2.95Å; E667-Q671 WeakPolarHBondContact O-CB 3.3Å; E667-Q671 WeakPolarHBondContact O-CG 3.33Å; E667-Q671 PolarHBondContact O-N 3.3Å
668K65.2Low58.2Low130 Ų130108.4 Ų108.457%0.56552%0.519SS*.Hα-helixtrans-65.2-40.1175.8-73.4-176.6-179.6154.20112.2D665 Q671 Q672D665-K668 HydrophobicContact CB-CB 4Å; D665-K668 HydrophobicContact CB-CD 3.85Å; D665-K668 HydrophobicContact CB-CG 3.88Å; D665-K668 WeakPolarHBondContact O-CA 3.49Å; D665-K668 WeakPolarHBondContact O-CB 3.48Å; D665-K668 PolarHBondContact O-N 3.25Å; D665-K668 VanDerWaalsContact OD2-CD 3.31Å; D665-K668 WeakPolarHBondContact OD2-CD 3.38Å; D665-K668 WeakPolarHBondContact OD2-CE 3.41Å; D665-K668 IonicContact OD2-NZ 3.17Å; D665-K668 PolarHBondContact OD2-NZ 3.13Å; D665-K668 VanDerWaalsContact OD2-NZ 3.17Å; K668-Q671 PolarHBondContact O-N 3.31Å; K668-Q672 WeakPolarHBondContact O-CB 3.31Å; K668-Q672 PolarHBondContact O-N 3.37Å
669L65.8Low60.4Low41 Ų41105.9 Ų105.922%0.21551%0.505CS..Hα-helixtrans-61.1-44.8175.9-104.3161.4000111.6F664 D665 K666 Q672 Y673 I689F664-L669 HydrophobicContact CD1-CD1 3.5Å; F664-L669 VanDerWaalsContact CD1-CD1 3.5Å; F664-L669 HydrophobicContact CD1-CG 4.48Å; F664-L669 HydrophobicContact CE1-CD1 3.79Å; D665-L669 PolarHBondContact O-N 3.5Å; K666-L669 PolarHBondContact O-N 3.47Å; L669-Q672 PolarHBondContact O-N 3Å; L669-Y673 HydrophobicContact CD2-CD2 4.12Å; L669-Y673 HydrophobicContact CD2-CE2 4Å; L669-Y673 PolarHBondContact O-N 3.23Å; L669-Y673 VanDerWaalsContact O-N 3.14Å; L669-I689 HydrophobicContact CD2-CG2 4.34Å
670I68.7Low62.5Low48 Ų48103 Ų10325%0.24650%0.501CS..Hα-helixtrans-64.5-42.6178.4-67.8165.8000110.9C628 K666 E667 N674 A675 I689C628-I670 HydrophobicContact CB-CG1 4.49Å; C628-I670 WeakPolarHBondContact O-CD1 3.05Å; K666-I670 WeakPolarHBondContact O-CD1 3.47Å; K666-I670 VanDerWaalsContact O-CG1 3.27Å; K666-I670 WeakPolarHBondContact O-CG1 3.29Å; K666-I670 PolarHBondContact O-N 2.81Å; E667-I670 PolarHBondContact O-N 2.95Å; I670-N674 PolarHBondContact O-N 3.16Å; I670-A675 HydrophobicContact CG2-CB 4.26Å; I670-A675 PolarHBondContact O-N 3.14Å; I670-I689 HydrophobicContact CG1-CD1 4.3Å
671Q72Confident64.9Low151 Ų151105.2 Ų105.271%0.70650%0.501SS*.Hα-helixtrans-67.7-43.9177-75.6-177.9-0.900112.2E667 K668 Y673 N674E667-Q671 WeakPolarHBondContact O-CB 3.3Å; E667-Q671 WeakPolarHBondContact O-CG 3.33Å; E667-Q671 PolarHBondContact O-N 3.3Å; K668-Q671 PolarHBondContact O-N 3.31Å; Q671-Y673 PolarHBondContact O-N 3.08Å; Q671-N674 PolarHBondContact O-N 3.04Å; Q671-N674 VanDerWaalsContact O-N 3.14Å
672Q73Confident67.2Low150 Ų15094.1 Ų94.170%0.70146%0.458SS*.Hα-helixtrans-62.6-40.5-177.9-177.7177.3-6.900112.3K668 L669 N674K668-Q672 WeakPolarHBondContact O-CB 3.31Å; K668-Q672 PolarHBondContact O-N 3.37Å; L669-Q672 PolarHBondContact O-N 3Å; Q672-N674 VanDerWaalsContact C-N 3.32Å
673Y68.8Low69.7Low111 Ų11192.2 Ų92.244%0.43544%0.44SS..THydrogen-bonded Turntrans-86.3-0.7178.1-80.9-95.4000113.6L669 Q671 A675 A685 I689L669-Y673 HydrophobicContact CD2-CD2 4.12Å; L669-Y673 HydrophobicContact CD2-CE2 4Å; L669-Y673 PolarHBondContact O-N 3.23Å; L669-Y673 VanDerWaalsContact O-N 3.14Å; Q671-Y673 PolarHBondContact O-N 3.08Å; Y673-A675 PolarHBondContact O-N 3Å; Y673-A685 WeakPolarHBondContact O-CB 3.34Å; Y673-I689 HydrophobicContact CD1-CG2 3.92Å; Y673-I689 HydrophobicContact CD2-CG2 3.63Å; Y673-I689 HydrophobicContact CE1-CG2 4.24Å; Y673-I689 HydrophobicContact CE2-CG2 3.98Å; Y673-I689 HydrophobicContact CG-CG2 3.59Å
674N75.8Confident71.8Confident93 Ų9390.8 Ų90.850%0.49743%0.434SS..THydrogen-bonded Turntrans53.741.5-175.3-157.46.5000112.2I670 Q671 Q672 T676I670-N674 PolarHBondContact O-N 3.16Å; Q671-N674 PolarHBondContact O-N 3.04Å; Q671-N674 VanDerWaalsContact O-N 3.14Å; Q672-N674 VanDerWaalsContact C-N 3.32Å; N674-T676 PolarHBondContact O-N 3.24Å; N674-T676 VanDerWaalsContact OD1-CG2 3.29Å; N674-T676 WeakPolarHBondContact OD1-CG2 3.2Å
675A75.7Confident73.5Confident3 Ų383 Ų833%0.02540%0.401CS..  trans-77.760.8-175.200000112.1C628 I670 Y673 C677 A685 C686 I689C628-A675 HydrophobicContact CB-CB 4.29Å; I670-A675 HydrophobicContact CG2-CB 4.26Å; I670-A675 PolarHBondContact O-N 3.14Å; Y673-A675 PolarHBondContact O-N 3Å; A675-C677 PolarHBondContact O-N 3.28Å; A675-A685 HydrophobicContact CB-CB 4.22Å; A675-C686 HydrophobicContact CB-CB 4.04Å; A675-I689 HydrophobicContact CB-CD1 4Å
676T78.3Confident74.8Confident56 Ų5680.9 Ų80.934%0.34439%0.39SS..  trans-79.3-11.3-170.855.10000114.9N674 K678N674-T676 PolarHBondContact O-N 3.24Å; N674-T676 VanDerWaalsContact OD1-CG2 3.29Å; N674-T676 WeakPolarHBondContact OD1-CG2 3.2Å; T676-K678 PolarHBondContact O-N 3.01Å
677C79.4Confident75.7Confident0 Ų081.9 Ų81.90%040%0.396CS..SBendtrans54.315-176.6-65.30000115.8R626 A675 C693R626-C677 HydrophobicContact CB-CB 3.76Å; R626-C677 WeakPolarHBondContact CD-O 3.46Å; A675-C677 PolarHBondContact O-N 3.28Å; C677-C693 VanDerWaalsContact CA-SG 3.57Å; C677-C693 HydrophobicContact CB-CB 3.61Å; C677-C693 WeakPolarHBondContact CB-SG 3.31Å; C677-C693 WeakPolarHBondContact SG-CA 3.3Å; C677-C693 WeakPolarHBondContact SG-CB 3.43Å; C677-C693 CovalentContact SG-SG 2.03Å; C677-C693 PolarHBondContact SG-SG 3.47Å
678K75.8Confident76.6Confident131 Ų13179.7 Ų79.757%0.5739%0.392SS*.SBendtrans-94.9-68178.6-69.9-176177.4-171.60111.3T676T676-K678 PolarHBondContact O-N 3.01Å
679L77.4Confident77.2Confident116 Ų11674.4 Ų74.461%0.60737%0.37SS*.SBendtrans-81.5158177.5-76.585.7000111H681 G682 I683L679-H681 PolarHBondContact O-N 3.06Å; L679-H681 VanDerWaalsContact O-N 3.12Å; L679-G682 WeakPolarHBondContact O-CA 3.47Å; L679-G682 PolarHBondContact O-N 3.08Å; L679-I683 PolarHBondContact O-N 2.8Å
680P76.8Confident78Confident98 Ų9878.3 Ų78.364%0.63639%0.387SS*.Hα-helixtrans-51.8-36.1175-27.234.3000113.7I683 K684P680-I683 PolarHBondContact O-N 2.89Å; P680-K684 WeakPolarHBondContact O-CG 3.34Å; P680-K684 PolarHBondContact O-N 3.13Å
681H79.6Confident78.4Confident129 Ų12976.3 Ų76.360%0.59738%0.378SS*.Hα-helixtrans-62.6-44.6173.5177.8-80.6000112.3L679 I683 K684 A685L679-H681 PolarHBondContact O-N 3.06Å; L679-H681 VanDerWaalsContact O-N 3.12Å; H681-I683 VanDerWaalsContact C-N 3.33Å; H681-I683 PolarHBondContact O-N 2.84Å; H681-K684 PolarHBondContact O-N 2.85Å; H681-A685 WeakPolarHBondContact O-CB 3.28Å; H681-A685 PolarHBondContact O-N 3.29Å
682G81Confident78.9Confident1 Ų171.7 Ų71.71%0.0136%0.36CS..Hα-helixtrans-68.3-30.417900000113.3L679 C686L679-G682 WeakPolarHBondContact O-CA 3.47Å; L679-G682 PolarHBondContact O-N 3.08Å; G682-C686 PolarHBondContact O-N 3.15Å; G682-C686 VanDerWaalsContact O-N 3.16Å
683I80.6Confident79.3Confident50 Ų5066.8 Ų66.826%0.25634%0.342SS..Hα-helixtrans-67.8-51.1172-62.2171.2000109.9L679 P680 H681 A685 C686 E687L679-I683 PolarHBondContact O-N 2.8Å; P680-I683 PolarHBondContact O-N 2.89Å; H681-I683 VanDerWaalsContact C-N 3.33Å; H681-I683 PolarHBondContact O-N 2.84Å; I683-A685 VanDerWaalsContact C-N 3.27Å; I683-A685 PolarHBondContact O-N 2.96Å; I683-C686 WeakPolarHBondContact O-CB 3.43Å; I683-C686 PolarHBondContact O-N 2.9Å; I683-C686 VanDerWaalsContact O-N 3.09Å; I683-E687 PolarHBondContact O-N 3.4Å
684K83.7Confident80Confident142 Ų14264.6 Ų64.662%0.61734%0.337SS*.Hα-helixtrans-58-39.4176.2-73.7-178.9179.6-174.90112.3P680 H681 E687 T688P680-K684 WeakPolarHBondContact O-CG 3.34Å; P680-K684 PolarHBondContact O-N 3.13Å; H681-K684 PolarHBondContact O-N 2.85Å; K684-E687 PolarHBondContact O-N 3.24Å; K684-T688 WeakPolarHBondContact O-CB 3.36Å; K684-T688 PolarHBondContact O-N 3.43Å; K684-T688 PolarHBondContact O-OG1 3.33Å
685A83.7Confident80.4Confident8 Ų863.7 Ų63.77%0.06634%0.335CS..Hα-helixtrans-61.7-43.1175.500000112.3Y673 A675 H681 I683 T688 I689Y673-A685 WeakPolarHBondContact O-CB 3.34Å; A675-A685 HydrophobicContact CB-CB 4.22Å; H681-A685 WeakPolarHBondContact O-CB 3.28Å; H681-A685 PolarHBondContact O-N 3.29Å; I683-A685 VanDerWaalsContact C-N 3.27Å; I683-A685 PolarHBondContact O-N 2.96Å; A685-T688 WeakPolarHBondContact O-CB 3.34Å; A685-T688 PolarHBondContact O-N 3.41Å; A685-I689 PolarHBondContact O-N 3.5Å
686C82.3Confident80.8Confident0 Ų070.1 Ų70.10%037%0.365CS..Hα-helixtrans-62.4-43.6174.2-1790000112C628 A675 G682 I683 T688 I689 G691 C693C628-C686 VanDerWaalsContact CA-SG 3.57Å; C628-C686 HydrophobicContact CB-CB 3.83Å; C628-C686 WeakPolarHBondContact CB-SG 3.19Å; C628-C686 WeakPolarHBondContact SG-CA 3.32Å; C628-C686 WeakPolarHBondContact SG-CB 3.23Å; C628-C686 CovalentContact SG-SG 2.03Å; C628-C686 PolarHBondContact SG-SG 3.43Å; A675-C686 HydrophobicContact CB-CB 4.04Å; G682-C686 PolarHBondContact O-N 3.15Å; G682-C686 VanDerWaalsContact O-N 3.16Å; I683-C686 WeakPolarHBondContact O-CB 3.43Å; I683-C686 PolarHBondContact O-N 2.9Å; I683-C686 VanDerWaalsContact O-N 3.09Å; C686-T688 VanDerWaalsContact C-N 3.32Å; C686-T688 PolarHBondContact O-N 3.45Å; C686-I689 WeakPolarHBondContact O-CG1 3.29Å; C686-I689 PolarHBondContact O-N 3.38Å; C686-G691 VanDerWaalsContact O-CA 3.25Å; C686-G691 WeakPolarHBondContact O-CA 3.24Å; C686-G691 PolarHBondContact O-N 2.9Å; C686-G691 VanDerWaalsContact SG-C 3.51Å; C686-C693 VanDerWaalsContact CB-SG 3.56Å; C686-C693 VanDerWaalsContact SG-SG 3.64Å
687E82Confident81.2Confident122 Ų12271 Ų7157%0.5737%0.367SS*.Hα-helixtrans-64.5-36.7177-69.2172.1170.700112I683 K684 I689 H690I683-E687 PolarHBondContact O-N 3.4Å; K684-E687 PolarHBondContact O-N 3.24Å; E687-I689 VanDerWaalsContact C-N 3.28Å; E687-I689 PolarHBondContact O-N 2.95Å; E687-H690 WeakPolarHBondContact O-CA 2.96Å; E687-H690 PolarHBondContact O-N 3.38Å
688T81.9Confident81.5Confident93 Ų9372 Ų7257%0.57137%0.372SS*.Hα-helixtrans-62.2-35.9179.2-56.90000112K684 A685 C686 H690K684-T688 WeakPolarHBondContact O-CB 3.36Å; K684-T688 PolarHBondContact O-N 3.43Å; K684-T688 PolarHBondContact O-OG1 3.33Å; A685-T688 WeakPolarHBondContact O-CB 3.34Å; A685-T688 PolarHBondContact O-N 3.41Å; C686-T688 VanDerWaalsContact C-N 3.32Å; C686-T688 PolarHBondContact O-N 3.45Å; T688-H690 PolarHBondContact O-N 2.92Å
689I78.9Confident82Confident19 Ų1965.8 Ų65.810%0.09735%0.345CS..THydrogen-bonded Turntrans-85.916.4175.563177.8000112.7L630 L669 I670 Y673 A675 A685 C686 E687 G691L630-I689 HydrophobicContact CD2-CB 4.02Å; L630-I689 HydrophobicContact CD2-CD1 3.94Å; L630-I689 HydrophobicContact CD2-CG1 3.78Å; L630-I689 WeakPolarHBondContact CD2-O 3.48Å; L669-I689 HydrophobicContact CD2-CG2 4.34Å; I670-I689 HydrophobicContact CG1-CD1 4.3Å; Y673-I689 HydrophobicContact CD1-CG2 3.92Å; Y673-I689 HydrophobicContact CD2-CG2 3.63Å; Y673-I689 HydrophobicContact CE1-CG2 4.24Å; Y673-I689 HydrophobicContact CE2-CG2 3.98Å; Y673-I689 HydrophobicContact CG-CG2 3.59Å; A675-I689 HydrophobicContact CB-CD1 4Å; A685-I689 PolarHBondContact O-N 3.5Å; C686-I689 WeakPolarHBondContact O-CG1 3.29Å; C686-I689 PolarHBondContact O-N 3.38Å; E687-I689 VanDerWaalsContact C-N 3.28Å; E687-I689 PolarHBondContact O-N 2.95Å; I689-G691 PolarHBondContact O-N 3.31Å
690H81.6Confident82.5Confident124 Ų12460.2 Ų60.257%0.57432%0.316SS*.THydrogen-bonded Turntrans6128.3-175.7-57.879.8000113.9K631 E687 T688K631-H690 WeakPolarHBondContact CB-O 3.3Å; K631-H690 PolarHBondContact N-O 3.46Å; E687-H690 WeakPolarHBondContact O-CA 2.96Å; E687-H690 PolarHBondContact O-N 3.38Å; T688-H690 PolarHBondContact O-N 2.92Å
691G78.9Confident83.2Confident6 Ų658.2 Ų58.26%0.06230%0.296CS..EExtended strand (participates in β ladder)trans-93162.917300000113.8I629 C686 I689I629-G691 CarbonylContact O-C 3.49Å; I629-G691 VanDerWaalsContact O-CA 3.23Å; I629-G691 WeakPolarHBondContact O-CA 3.45Å; C686-G691 VanDerWaalsContact O-CA 3.25Å; C686-G691 WeakPolarHBondContact O-CA 3.24Å; C686-G691 PolarHBondContact O-N 2.9Å; C686-G691 VanDerWaalsContact SG-C 3.51Å; I689-G691 PolarHBondContact O-N 3.31Å
692T81.5Confident83.8Confident53 Ų5355.2 Ų55.233%0.32528%0.284SS..EExtended strand (participates in β ladder)trans-119.1128.8169.751.10000109.5I629 K631 I694I629-T692 PolarHBondContact N-O 3.13Å; I629-T692 PolarHBondContact O-N 3.29Å; I629-T692 PolarHBondContact O-OG1 3.37Å; K631-T692 HydrophobicContact CD-CG2 4.26Å; K631-T692 HydrophobicContact CG-CG2 4.11Å; T692-I694 PolarHBondContact O-N 3.04Å
693C82.7Confident84.1Confident47 Ų4755.7 Ų55.732%0.31829%0.286SS..EExtended strand (participates in β ladder)trans-73.2118.2173.8-72.20000110.5C677 C686C677-C693 VanDerWaalsContact CA-SG 3.57Å; C677-C693 HydrophobicContact CB-CB 3.61Å; C677-C693 WeakPolarHBondContact CB-SG 3.31Å; C677-C693 WeakPolarHBondContact SG-CA 3.3Å; C677-C693 WeakPolarHBondContact SG-CB 3.43Å; C677-C693 CovalentContact SG-SG 2.03Å; C677-C693 PolarHBondContact SG-SG 3.47Å; C686-C693 VanDerWaalsContact CB-SG 3.56Å; C686-C693 VanDerWaalsContact SG-SG 3.64Å
694I83.4Confident84.6Confident65 Ų6553.3 Ų53.333%0.33327%0.274SS..EExtended strand (participates in β ladder)trans-112.3141.9172.262.7143000110.5R626 A627 I629 T692 Q696R626-I694 WeakPolarHBondContact CA-O 3.24Å; A627-I694 PolarHBondContact N-O 2.03Å; A627-I694 WeakPolarHBondContact O-CG1 3.47Å; A627-I694 PolarHBondContact O-N 2.79Å; I629-I694 HydrophobicContact CD1-CD1 3.25Å; I629-I694 HydrophobicContact CD1-CG1 3.62Å; I629-I694 HydrophobicContact CD1-CG2 4.46Å; I629-I694 HydrophobicContact CG1-CD1 3.99Å; I629-I694 HydrophobicContact CG1-CG1 3.87Å; T692-I694 PolarHBondContact O-N 3.04Å; I694-Q696 HydrophobicContact CD1-CG 4.01Å
695T83Confident84.9Confident75 Ų7548 Ų4846%0.4626%0.259SS..EExtended strand (participates in β ladder)trans-83.8112.1169.947.10000108.7T624 R626T624-T695 HydrophobicContact CG2-CG2 4.49Å; R626-T695 HydrophobicContact CG-CG2 3.89Å
696Q83.6Confident85.3Confident138 Ų13852 Ų5265%0.64528%0.279SS*.EExtended strand (participates in β ladder)trans-81.5-39.8175.9-70.9-177.6-33.100111.5K625 A627 I694K625-Q696 PolarHBondContact O-N 2.03Å; A627-Q696 HydrophobicContact CB-CG 4.09Å; I694-Q696 HydrophobicContact CD1-CG 4.01Å
697L87.2Confident85.6Confident73 Ų7352.5 Ų52.538%0.38228%0.282SS..EExtended strand (participates in β ladder)trans-133119.9175.2-17868.5000107.9T624 K625T624-L697 CarbonylContact C-O 3.33Å; T624-L697 VanDerWaalsContact CA-O 3.31Å; T624-L697 WeakPolarHBondContact CA-O 3.21Å; T624-L697 WeakPolarHBondContact CG2-O 3.43Å; K625-L697 HydrophobicContact CB-CB 4.04Å; K625-L697 HydrophobicContact CD-CD2 4.41Å; K625-L697 HydrophobicContact CG-CB 4.44Å; K625-L697 HydrophobicContact CG-CD2 4.46Å; K625-L697 PolarHBondContact N-O 2.87Å; K625-L697 PolarHBondContact O-N 2.95Å; K625-L697 VanDerWaalsContact O-N 3.13Å
698D86Confident86.1Confident22 Ų2247.5 Ų47.512%0.11826%0.261CS..  trans-92.5119.7174.1-166.7-30.1000109.1K438 F700 Y701K438-D698 IonicContact NZ-OD1 2.83Å; K438-D698 PolarHBondContact NZ-OD1 2.99Å; K438-D698 IonicContact NZ-OD2 3.23Å; K438-D698 PolarHBondContact NZ-OD2 3.09Å; D698-F700 PolarHBondContact O-N 3.45Å; D698-F700 VanDerWaalsContact O-N 3.16Å; D698-F700 WeakPolarHBondContact OD1-CB 3.26Å; D698-F700 PolarHBondContact OD1-N 3.32Å; D698-F700 VanDerWaalsContact OD1-N 3.08Å; D698-Y701 HydrophobicContact CB-CD2 3.81Å; D698-Y701 HydrophobicContact CB-CE2 4.11Å; D698-Y701 PolarHBondContact O-N 3.47Å
699G86.5Confident86.7Confident0 Ų047.7 Ų47.70%026%0.258CS..Hα-helixtrans-57.5-28.8-178.400000112.6T624 Y701 L702 E703T624-G699 PolarHBondContact OG1-N 3.32Å; G699-Y701 PolarHBondContact O-N 3.46Å; G699-L702 PolarHBondContact O-N 3.04Å; G699-E703 VanDerWaalsContact O-CB 3.24Å; G699-E703 WeakPolarHBondContact O-CB 3.46Å; G699-E703 PolarHBondContact O-N 2.88Å
700F88.1Confident87.3Confident0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-58-49.2177.3165.1-107.1000113.4I434 K438 T494 V498 D698 L702 E703 V704I434-F700 HydrophobicContact CB-CD2 3.68Å; I434-F700 HydrophobicContact CB-CE2 3.82Å; I434-F700 HydrophobicContact CD1-CD2 4.27Å; I434-F700 HydrophobicContact CG2-CB 4.42Å; I434-F700 HydrophobicContact CG2-CD2 3.26Å; I434-F700 HydrophobicContact CG2-CE2 3.75Å; I434-F700 HydrophobicContact CG2-CG 4.13Å; K438-F700 HydrophobicContact CB-CZ 4.46Å; K438-F700 HydrophobicContact CD-CB 4.26Å; K438-F700 HydrophobicContact CD-CD1 4.18Å; K438-F700 HydrophobicContact CD-CG 4.14Å; K438-F700 HydrophobicContact CG-CB 4.32Å; K438-F700 HydrophobicContact CG-CD1 3.96Å; K438-F700 HydrophobicContact CG-CD2 3.94Å; K438-F700 HydrophobicContact CG-CE1 4.21Å; K438-F700 HydrophobicContact CG-CE2 4.15Å; K438-F700 HydrophobicContact CG-CG 3.8Å; K438-F700 HydrophobicContact CG-CZ 4.27Å; T494-F700 HydrophobicContact CG2-CE2 4.46Å; T494-F700 HydrophobicContact CG2-CZ 3.8Å; V498-F700 HydrophobicContact CB-CE1 3.88Å; V498-F700 HydrophobicContact CB-CZ 4.33Å; V498-F700 HydrophobicContact CG1-CD1 4.43Å; V498-F700 HydrophobicContact CG1-CE1 3.74Å; V498-F700 HydrophobicContact CG1-CZ 4.38Å; V498-F700 HydrophobicContact CG2-CE1 4Å; V498-F700 HydrophobicContact CG2-CZ 3.92Å; D698-F700 PolarHBondContact O-N 3.45Å; D698-F700 VanDerWaalsContact O-N 3.16Å; D698-F700 WeakPolarHBondContact OD1-CB 3.26Å; D698-F700 PolarHBondContact OD1-N 3.32Å; D698-F700 VanDerWaalsContact OD1-N 3.08Å; F700-L702 VanDerWaalsContact C-N 3.3Å; F700-L702 PolarHBondContact O-N 3.16Å; F700-E703 PolarHBondContact O-N 3.37Å; F700-V704 HydrophobicContact CD2-CG2 3.87Å; F700-V704 HydrophobicContact CE2-CG2 3.61Å; F700-V704 HydrophobicContact CZ-CG2 4.14Å; F700-V704 WeakPolarHBondContact O-CG2 3.19Å; F700-V704 PolarHBondContact O-N 3.05Å
701Y91.4Very high87.9Confident55 Ų5545.5 Ų45.522%0.21625%0.246CC..Hα-helixtrans-67.7-35.8-178.2-64.7-63000111.5I495 V498 Y499 D698 G699 G705I495-Y701 HydrophobicContact CB-CD1 4.38Å; I495-Y701 HydrophobicContact CG1-CD1 4.42Å; I495-Y701 HydrophobicContact CG2-CD1 3.84Å; I495-Y701 HydrophobicContact CG2-CE1 4.3Å; V498-Y701 HydrophobicContact CB-CE1 4.36Å; V498-Y701 HydrophobicContact CG1-CE1 4.37Å; Y499-Y701 WeakPolarHBondContact CA-OH 3.41Å; Y499-Y701 PolarHBondContact N-OH 3.04Å; D698-Y701 HydrophobicContact CB-CD2 3.81Å; D698-Y701 HydrophobicContact CB-CE2 4.11Å; D698-Y701 PolarHBondContact O-N 3.47Å; G699-Y701 PolarHBondContact O-N 3.46Å; Y701-G705 PolarHBondContact O-N 3.12Å
702L90.9Very high88.6Confident66 Ų6649 Ų4935%0.34626%0.262SS..Hα-helixtrans-65.9-47.5176.3-175.666.1000110.7L623 G699 F700 G705 L706L623-L702 HydrophobicContact CD2-CD2 4.02Å; G699-L702 PolarHBondContact O-N 3.04Å; F700-L702 VanDerWaalsContact C-N 3.3Å; F700-L702 PolarHBondContact O-N 3.16Å; L702-G705 PolarHBondContact O-N 3.41Å; L702-L706 HydrophobicContact CD1-CD1 4.34Å; L702-L706 HydrophobicContact CD1-CG 4.42Å; L702-L706 HydrophobicContact CG-CD1 4.04Å; L702-L706 HydrophobicContact CG-CG 4.47Å; L702-L706 WeakPolarHBondContact O-CB 3.45Å; L702-L706 VanDerWaalsContact O-CG 3.23Å; L702-L706 WeakPolarHBondContact O-CG 3.31Å; L702-L706 PolarHBondContact O-N 2.83Å
703E88.3Confident89.2Confident11 Ų1150.6 Ų50.65%0.05127%0.268CS..Hα-helixtrans-64-47-178.5-169.1-173145.900112.4A430 I434 F616 I620 L623 G699 F700 G705 L706 S707A430-E703 HydrophobicContact CB-CG 3.84Å; A430-E703 VanDerWaalsContact CB-OE1 3.26Å; A430-E703 WeakPolarHBondContact CB-OE1 3.49Å; I434-E703 VanDerWaalsContact CD1-OE1 3.28Å; I434-E703 WeakPolarHBondContact CD1-OE1 3.17Å; F616-E703 WeakPolarHBondContact CA-OE1 3.48Å; F616-E703 WeakPolarHBondContact CB-OE1 3.34Å; F616-E703 HydrophobicContact CD1-CG 4.23Å; F616-E703 WeakPolarHBondContact CD1-OE1 3.02Å; F616-E703 WeakPolarHBondContact CG-OE1 3.42Å; I620-E703 WeakPolarHBondContact CG1-OE2 2.99Å; L623-E703 HydrophobicContact CD1-CB 4.48Å; G699-E703 VanDerWaalsContact O-CB 3.24Å; G699-E703 WeakPolarHBondContact O-CB 3.46Å; G699-E703 PolarHBondContact O-N 2.88Å; F700-E703 PolarHBondContact O-N 3.37Å; E703-G705 VanDerWaalsContact C-N 3.34Å; E703-G705 PolarHBondContact O-N 3.16Å; E703-L706 PolarHBondContact O-N 3.02Å; E703-S707 WeakPolarHBondContact O-CB 3.2Å; E703-S707 PolarHBondContact O-N 3.2Å
704V89.9Confident89.8Confident0 Ų049.2 Ų49.20%026%0.258CS..Hα-helixtrans-64.5-39.8174.8177.30000110.9A430 P431 I495 F700 S707 V708A430-V704 HydrophobicContact CB-CG2 4.25Å; P431-V704 HydrophobicContact CB-CG1 4.1Å; P431-V704 HydrophobicContact CB-CG2 4.23Å; P431-V704 HydrophobicContact CG-CG1 4.32Å; I495-V704 HydrophobicContact CD1-CB 4.38Å; I495-V704 HydrophobicContact CD1-CG1 3.96Å; I495-V704 HydrophobicContact CG1-CB 4.21Å; I495-V704 HydrophobicContact CG1-CG1 3.74Å; F700-V704 HydrophobicContact CD2-CG2 3.87Å; F700-V704 HydrophobicContact CE2-CG2 3.61Å; F700-V704 HydrophobicContact CZ-CG2 4.14Å; F700-V704 WeakPolarHBondContact O-CG2 3.19Å; F700-V704 PolarHBondContact O-N 3.05Å; V704-S707 PolarHBondContact O-N 2.76Å; V704-S707 PolarHBondContact O-OG 2.94Å; V704-V708 HydrophobicContact CG1-CG2 4.47Å; V704-V708 WeakPolarHBondContact O-CB 3.12Å; V704-V708 VanDerWaalsContact O-CG2 3.29Å; V704-V708 WeakPolarHBondContact O-CG2 3.46Å; V704-V708 PolarHBondContact O-N 2.88Å
705G91.7Very high90.4Very high30 Ų3048.1 Ų48.131%0.30925%0.25SS..Hα-helixtrans-62-44.5175.900000112.5Y701 L702 E703 L709Y701-G705 PolarHBondContact O-N 3.12Å; L702-G705 PolarHBondContact O-N 3.41Å; E703-G705 VanDerWaalsContact C-N 3.34Å; E703-G705 PolarHBondContact O-N 3.16Å; G705-L709 WeakPolarHBondContact O-CB 3.45Å; G705-L709 PolarHBondContact O-N 2.8Å
706L91Very high90.9Very high94 Ų9447.6 Ų47.649%0.49225%0.248SC..Hα-helixtrans-66.6-40.4176.9-71.6174.6000112L702 E703 L709 F710L702-L706 HydrophobicContact CD1-CD1 4.34Å; L702-L706 HydrophobicContact CD1-CG 4.42Å; L702-L706 HydrophobicContact CG-CD1 4.04Å; L702-L706 HydrophobicContact CG-CG 4.47Å; L702-L706 WeakPolarHBondContact O-CB 3.45Å; L702-L706 VanDerWaalsContact O-CG 3.23Å; L702-L706 WeakPolarHBondContact O-CG 3.31Å; L702-L706 PolarHBondContact O-N 2.83Å; E703-L706 PolarHBondContact O-N 3.02Å; L706-L709 PolarHBondContact O-N 3.18Å; L706-F710 VanDerWaalsContact O-CB 3.26Å; L706-F710 WeakPolarHBondContact O-CB 3.48Å; L706-F710 PolarHBondContact O-N 2.94Å
707S89.4Confident91.4Very high9 Ų949 Ų496%0.06325%0.252CS..Hα-helixtrans-66.9-39.1178.982.70000112C427 E703 V704 G711C427-S707 WeakPolarHBondContact O-CB 3.49Å; C427-S707 PolarHBondContact O-OG 2.82Å; E703-S707 WeakPolarHBondContact O-CB 3.2Å; E703-S707 PolarHBondContact O-N 3.2Å; V704-S707 PolarHBondContact O-N 2.76Å; V704-S707 PolarHBondContact O-OG 2.94Å; S707-G711 PolarHBondContact O-N 3.38Å
708V92.1Very high91.8Very high18 Ų1849.2 Ų49.211%0.10925%0.25CS..Hα-helixtrans-66.2-45.9174.8171.50000111L488 T491 V704 G711 L712L488-V708 HydrophobicContact CD1-CG2 4.43Å; L488-V708 HydrophobicContact CG-CG1 4.44Å; T491-V708 HydrophobicContact CG2-CG2 3.95Å; V704-V708 HydrophobicContact CG1-CG2 4.47Å; V704-V708 WeakPolarHBondContact O-CB 3.12Å; V704-V708 VanDerWaalsContact O-CG2 3.29Å; V704-V708 WeakPolarHBondContact O-CG2 3.46Å; V704-V708 PolarHBondContact O-N 2.88Å; V708-G711 PolarHBondContact O-N 3.35Å; V708-L712 HydrophobicContact CG1-CD1 4.25Å; V708-L712 WeakPolarHBondContact O-CG 3.48Å; V708-L712 PolarHBondContact O-N 3.06Å
709L93.7Very high92.1Very high97 Ų9748.1 Ų48.151%0.50825%0.245SC..Hα-helixtrans-61.7-45.2177.5-179.163.2000111.5G705 L706 G711 L712 I713G705-L709 WeakPolarHBondContact O-CB 3.45Å; G705-L709 PolarHBondContact O-N 2.8Å; L706-L709 PolarHBondContact O-N 3.18Å; L709-G711 VanDerWaalsContact C-N 3.33Å; L709-G711 PolarHBondContact O-N 3.37Å; L709-L712 PolarHBondContact O-N 3.48Å; L709-I713 HydrophobicContact CD1-CD1 4.13Å; L709-I713 HydrophobicContact CG-CD1 4.01Å; L709-I713 WeakPolarHBondContact O-CG1 3.03Å; L709-I713 PolarHBondContact O-N 3.27Å
710F93.3Very high92.5Very high96 Ų9653.5 Ų53.542%0.42127%0.266SS..Hα-helixtrans-57.8-45.9174.4179.7-104.9000111.1T423 V426 C427 L706 L712 I713 V714T423-F710 HydrophobicContact CG2-CE1 4.34Å; V426-F710 HydrophobicContact CG1-CE1 4.23Å; C427-F710 VanDerWaalsContact SG-CD1 3.56Å; L706-F710 VanDerWaalsContact O-CB 3.26Å; L706-F710 WeakPolarHBondContact O-CB 3.48Å; L706-F710 PolarHBondContact O-N 2.94Å; F710-L712 PolarHBondContact O-N 3.32Å; F710-I713 PolarHBondContact O-N 3.14Å; F710-V714 HydrophobicContact CD1-CG2 4.26Å; F710-V714 HydrophobicContact CD2-CG2 3.77Å; F710-V714 HydrophobicContact CE1-CG2 4.03Å; F710-V714 HydrophobicContact CE2-CG2 3.52Å; F710-V714 HydrophobicContact CG-CG2 4.14Å; F710-V714 HydrophobicContact CZ-CG2 3.67Å; F710-V714 VanDerWaalsContact O-CB 3.25Å; F710-V714 WeakPolarHBondContact O-CB 3.23Å; F710-V714 WeakPolarHBondContact O-CG2 3.25Å; F710-V714 PolarHBondContact O-N 3.35Å
711G92.6Very high92.9Very high0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-60.6-40.7176.200000114C427 S707 V708 L709 Y715C427-G711 WeakPolarHBondContact SG-CA 3.02Å; S707-G711 PolarHBondContact O-N 3.38Å; V708-G711 PolarHBondContact O-N 3.35Å; L709-G711 VanDerWaalsContact C-N 3.33Å; L709-G711 PolarHBondContact O-N 3.37Å; G711-Y715 WeakPolarHBondContact O-CB 3.41Å; G711-Y715 PolarHBondContact O-N 2.82Å
712L94.1Very high93Very high79 Ų7954.6 Ų54.641%0.41428%0.279SS..Hα-helixtrans-67.2-36.4178-73.1173.9000112.5L485 L488 V708 L709 F710 P716L485-L712 HydrophobicContact CD1-CD2 4.07Å; L488-L712 HydrophobicContact CD2-CD2 3.85Å; L488-L712 HydrophobicContact CD2-CG 3.85Å; V708-L712 HydrophobicContact CG1-CD1 4.25Å; V708-L712 WeakPolarHBondContact O-CG 3.48Å; V708-L712 PolarHBondContact O-N 3.06Å; L709-L712 PolarHBondContact O-N 3.48Å; F710-L712 PolarHBondContact O-N 3.32Å; L712-P716 WeakPolarHBondContact O-CD 2.98Å
713I95.1Very high93.1Very high87 Ų8751.5 Ų51.545%0.44626%0.263SS..Hα-helixtrans-73.5-47.9176.7-66.1167.8000110.2L709 F710 Y715 P716 F717L709-I713 HydrophobicContact CD1-CD1 4.13Å; L709-I713 HydrophobicContact CG-CD1 4.01Å; L709-I713 WeakPolarHBondContact O-CG1 3.03Å; L709-I713 PolarHBondContact O-N 3.27Å; F710-I713 PolarHBondContact O-N 3.14Å; I713-Y715 VanDerWaalsContact C-N 3.28Å; I713-Y715 PolarHBondContact O-N 2.98Å; I713-P716 VanDerWaalsContact O-CD 3.24Å; I713-P716 WeakPolarHBondContact O-CD 3.44Å; I713-F717 HydrophobicContact CG2-CD2 4.15Å; I713-F717 WeakPolarHBondContact O-CD2 3.27Å
714V94.6Very high93.3Very high19 Ų1952.9 Ų52.912%0.11527%0.273CS..Hα-helixtrans-74.6-22-171.8176.10000112.1T423 F710 F718 L719T423-V714 HydrophobicContact CG2-CG1 3.36Å; F710-V714 HydrophobicContact CD1-CG2 4.26Å; F710-V714 HydrophobicContact CD2-CG2 3.77Å; F710-V714 HydrophobicContact CE1-CG2 4.03Å; F710-V714 HydrophobicContact CE2-CG2 3.52Å; F710-V714 HydrophobicContact CG-CG2 4.14Å; F710-V714 HydrophobicContact CZ-CG2 3.67Å; F710-V714 VanDerWaalsContact O-CB 3.25Å; F710-V714 WeakPolarHBondContact O-CB 3.23Å; F710-V714 WeakPolarHBondContact O-CG2 3.25Å; F710-V714 PolarHBondContact O-N 3.35Å; V714-F718 HydrophobicContact CG1-CB 3.95Å; V714-F718 HydrophobicContact CG1-CD1 4.02Å; V714-F718 HydrophobicContact CG1-CG 4.4Å; V714-F718 WeakPolarHBondContact O-CB 3.29Å; V714-F718 PolarHBondContact O-N 3.36Å; V714-L719 HydrophobicContact CG1-CD1 4.33Å; V714-L719 HydrophobicContact CG1-CG 4.05Å; V714-L719 PolarHBondContact O-N 3.37Å
715Y95.2Very high93.4Very high41 Ų4159 Ų5916%0.16130%0.296CS..Iπ-helixtrans-53.8-63.5175.8175.8-101.1000114.2I481 F484 L485 G711 I713 L719 Y720I481-Y715 HydrophobicContact CG2-CD2 3.98Å; I481-Y715 HydrophobicContact CG2-CE2 3.37Å; I481-Y715 WeakPolarHBondContact O-CE2 3.46Å; F484-Y715 AromaticContact CD1-CD2 3.78Å; F484-Y715 HydrophobicContact CD1-CD2 3.78Å; F484-Y715 HydrophobicContact CD1-CE2 4.39Å; F484-Y715 HydrophobicContact CE1-CD2 4.22Å; L485-Y715 HydrophobicContact CB-CE2 4.23Å; L485-Y715 HydrophobicContact CD2-CE1 4.34Å; G711-Y715 WeakPolarHBondContact O-CB 3.41Å; G711-Y715 PolarHBondContact O-N 2.82Å; I713-Y715 VanDerWaalsContact C-N 3.28Å; I713-Y715 PolarHBondContact O-N 2.98Å; Y715-L719 PolarHBondContact O-N 3.32Å; Y715-Y720 WeakPolarHBondContact O-CB 3.15Å; Y715-Y720 PolarHBondContact O-N 2.87Å
716P94.7Very high93.5Very high64 Ų6457.6 Ų57.642%0.41628%0.282SS..Iπ-helixtrans-72.8-34.5-177.929.6-36.5000113.2L712 I713 P721L712-P716 WeakPolarHBondContact O-CD 2.98Å; I713-P716 VanDerWaalsContact O-CD 3.24Å; I713-P716 WeakPolarHBondContact O-CD 3.44Å; P716-P721 WeakPolarHBondContact O-CD 3.43Å; P716-P721 WeakPolarHBondContact O-CG 3.4Å
717F94Very high93.5Very high167 Ų16753.6 Ų53.673%0.73226%0.261SS*.Iπ-helixtrans-83.7-27.1-171.6-67.6-62.4000114.1I713I713-F717 HydrophobicContact CG2-CD2 4.15Å; I713-F717 WeakPolarHBondContact O-CD2 3.27Å
718F94.5Very high93.5Very high78 Ų7857.9 Ų57.934%0.34228%0.283SS..Iπ-helixtrans-131.9-54.5-172-177.8-103.7000112.8I419 T423 V714 M722I419-F718 HydrophobicContact CG2-CE1 3.79Å; I419-F718 HydrophobicContact CG2-CZ 3.49Å; I419-F718 VanDerWaalsContact CG2-CZ 3.49Å; T423-F718 HydrophobicContact CG2-CD1 4.28Å; T423-F718 HydrophobicContact CG2-CE1 4.48Å; V714-F718 HydrophobicContact CG1-CB 3.95Å; V714-F718 HydrophobicContact CG1-CD1 4.02Å; V714-F718 HydrophobicContact CG1-CG 4.4Å; V714-F718 WeakPolarHBondContact O-CB 3.29Å; V714-F718 PolarHBondContact O-N 3.36Å; F718-M722 HydrophobicContact CD1-SD 4.48Å; F718-M722 HydrophobicContact CE1-SD 3.66Å; F718-M722 HydrophobicContact CE2-CE 4.46Å; F718-M722 HydrophobicContact CE2-SD 4.11Å; F718-M722 HydrophobicContact CZ-CE 3.88Å; F718-M722 HydrophobicContact CZ-SD 3.43Å; F718-M722 WeakPolarHBondContact CZ-SD 3.38Å; F718-M722 WeakPolarHBondContact O-CB 3.49Å; F718-M722 PolarHBondContact O-N 2.74Å; F718-M722 VanDerWaalsContact O-N 3.09Å
719L94.2Very high93.5Very high0 Ų059.8 Ų59.80%029%0.292CS..Iπ-helixtrans-66.6-49.3-172.6-67.5173.4000112.9L420 T423 V424 I481 F484 V714 Y715 M722 A723L420-L719 HydrophobicContact CD1-CD2 4.09Å; L420-L719 WeakPolarHBondContact CD1-O 3.46Å; L420-L719 HydrophobicContact CG-CD2 4.32Å; T423-L719 HydrophobicContact CG2-CD1 4.37Å; T423-L719 HydrophobicContact CG2-CD2 3.73Å; T423-L719 HydrophobicContact CG2-CG 4.19Å; V424-L719 HydrophobicContact CG2-CD1 3.84Å; V424-L719 HydrophobicContact CG2-CD2 3.82Å; V424-L719 HydrophobicContact CG2-CG 4.44Å; I481-L719 HydrophobicContact CD1-CB 4.11Å; F484-L719 HydrophobicContact CD1-CD1 4.17Å; F484-L719 HydrophobicContact CE1-CD1 3.7Å; F484-L719 HydrophobicContact CZ-CD1 4.04Å; V714-L719 HydrophobicContact CG1-CD1 4.33Å; V714-L719 HydrophobicContact CG1-CG 4.05Å; V714-L719 PolarHBondContact O-N 3.37Å; Y715-L719 PolarHBondContact O-N 3.32Å; L719-M722 PolarHBondContact O-N 2.86Å; L719-A723 WeakPolarHBondContact O-CB 2.96Å; L719-A723 PolarHBondContact O-N 3.45Å
720Y94.9Very high93.2Very high113 Ų11358.9 Ų58.944%0.44329%0.292SS..Hα-helixtrans-64-49.9-177.7-177.8-87.3000112.8I481 Y715 M722 A723 C724I481-Y720 HydrophobicContact CG2-CD2 4.1Å; Y715-Y720 WeakPolarHBondContact O-CB 3.15Å; Y715-Y720 PolarHBondContact O-N 2.87Å; Y720-M722 VanDerWaalsContact C-N 3.32Å; Y720-M722 PolarHBondContact O-N 3.34Å; Y720-A723 PolarHBondContact O-N 2.87Å; Y720-C724 PolarHBondContact O-N 2.68Å; Y720-C724 VanDerWaalsContact O-N 3.09Å; Y720-C724 PolarHBondContact O-SG 3.1Å
721P95Very high92.6Very high65 Ų6557.3 Ų57.342%0.42229%0.293SS..Hα-helixtrans-60.3-40.4175.2-23.934.2000112.9P716 C724 R725P716-P721 WeakPolarHBondContact O-CD 3.43Å; P716-P721 WeakPolarHBondContact O-CG 3.4Å; P721-C724 PolarHBondContact O-N 3.49Å; P721-R725 PolarHBondContact O-N 2.86Å
722M93.1Very high92.1Very high13 Ų1361.1 Ų61.16%0.06432%0.319CS..Hα-helixtrans-67-44.7-178.4-174.3177.1-142.700112.3Q416 I419 L420 F718 L719 Y720 R725 L726Q416-M722 HydrophobicContact CB-CE 3.58Å; Q416-M722 HydrophobicContact CG-CE 3.88Å; Q416-M722 WeakPolarHBondContact O-CE 3.42Å; I419-M722 HydrophobicContact CB-CE 4.13Å; I419-M722 HydrophobicContact CG2-CE 4.43Å; L420-M722 HydrophobicContact CB-CG 4.44Å; L420-M722 HydrophobicContact CB-SD 3.84Å; L420-M722 HydrophobicContact CD1-CB 3.88Å; L420-M722 HydrophobicContact CD1-CG 3.91Å; L420-M722 HydrophobicContact CD1-SD 4.06Å; F718-M722 HydrophobicContact CD1-SD 4.48Å; F718-M722 HydrophobicContact CE1-SD 3.66Å; F718-M722 HydrophobicContact CE2-CE 4.46Å; F718-M722 HydrophobicContact CE2-SD 4.11Å; F718-M722 HydrophobicContact CZ-CE 3.88Å; F718-M722 HydrophobicContact CZ-SD 3.43Å; F718-M722 WeakPolarHBondContact CZ-SD 3.38Å; F718-M722 WeakPolarHBondContact O-CB 3.49Å; F718-M722 PolarHBondContact O-N 2.74Å; F718-M722 VanDerWaalsContact O-N 3.09Å; L719-M722 PolarHBondContact O-N 2.86Å; Y720-M722 VanDerWaalsContact C-N 3.32Å; Y720-M722 PolarHBondContact O-N 3.34Å; M722-R725 PolarHBondContact O-N 3.39Å; M722-L726 HydrophobicContact CG-CD1 4.19Å; M722-L726 WeakPolarHBondContact O-CG 3.5Å; M722-L726 PolarHBondContact O-N 3.21Å
723A93.5Very high91.8Very high1 Ų158.8 Ų58.81%0.00831%0.312CS..Hα-helixtrans-62.7-44.3175.800000111.9L420 L477 I481 L719 Y720 R725 L726 D727L420-A723 HydrophobicContact CD1-CB 3.9Å; L477-A723 HydrophobicContact CB-CB 4.02Å; I481-A723 HydrophobicContact CB-CB 4.24Å; I481-A723 HydrophobicContact CD1-CB 4.47Å; I481-A723 HydrophobicContact CG1-CB 3.37Å; L719-A723 WeakPolarHBondContact O-CB 2.96Å; L719-A723 PolarHBondContact O-N 3.45Å; Y720-A723 PolarHBondContact O-N 2.87Å; A723-R725 VanDerWaalsContact C-N 3.31Å; A723-R725 PolarHBondContact O-N 3.34Å; A723-L726 PolarHBondContact O-N 3.17Å; A723-D727 WeakPolarHBondContact O-CB 3.32Å; A723-D727 PolarHBondContact O-N 3.21Å
724C92.8Very high91.4Very high39 Ų3954.8 Ų54.826%0.26429%0.291SS..Hα-helixtrans-60.7-40.7176.4-67.80000111.8Y720 P721 N728Y720-C724 PolarHBondContact O-N 2.68Å; Y720-C724 VanDerWaalsContact O-N 3.09Å; Y720-C724 PolarHBondContact O-SG 3.1Å; P721-C724 PolarHBondContact O-N 3.49Å; C724-N728 VanDerWaalsContact O-CG 3.3Å; C724-N728 PolarHBondContact O-N 2.75Å; C724-N728 PolarHBondContact O-ND2 3.14Å
725R93Very high90.9Very high129 Ų12955.5 Ų55.549%0.48730%0.297SS..Hα-helixtrans-62.3-48175.6-173.6177.570.9-164.9-14.7111.5Q416 P721 M722 A723 N728 L729Q416-R725 VanDerWaalsContact OE1-CZ 3.24Å; P721-R725 PolarHBondContact O-N 2.86Å; M722-R725 PolarHBondContact O-N 3.39Å; A723-R725 VanDerWaalsContact C-N 3.31Å; A723-R725 PolarHBondContact O-N 3.34Å; R725-N728 PolarHBondContact O-N 3Å; R725-L729 PolarHBondContact O-N 3.42Å
726L92.8Very high90.3Very high1 Ų156.9 Ų56.91%0.00530%0.304CS..Hα-helixtrans-65.1-39-177.8-72171000112.6P413 Q416 F417 L477 M722 A723 N728 L729 Y734P413-L726 HydrophobicContact CB-CD2 4.24Å; P413-L726 WeakPolarHBondContact O-CD2 3.15Å; Q416-L726 HydrophobicContact CB-CD1 4.34Å; Q416-L726 HydrophobicContact CB-CD2 3.82Å; Q416-L726 HydrophobicContact CB-CG 4.45Å; F417-L726 HydrophobicContact CB-CD1 3.98Å; F417-L726 HydrophobicContact CD2-CD1 4.46Å; L477-L726 HydrophobicContact CD1-CB 3.46Å; L477-L726 VanDerWaalsContact CD1-CB 3.46Å; L477-L726 HydrophobicContact CD1-CD1 4.22Å; L477-L726 HydrophobicContact CD1-CG 4.5Å; M722-L726 HydrophobicContact CG-CD1 4.19Å; M722-L726 WeakPolarHBondContact O-CG 3.5Å; M722-L726 PolarHBondContact O-N 3.21Å; A723-L726 PolarHBondContact O-N 3.17Å; L726-N728 VanDerWaalsContact C-N 3.29Å; L726-N728 PolarHBondContact O-N 3.11Å; L726-L729 HydrophobicContact CD2-CD1 4.22Å; L726-L729 PolarHBondContact O-N 3.35Å; L726-Y734 WeakPolarHBondContact CD2-OH 3.36Å; L726-Y734 PolarHBondContact O-OH 3.42Å
727D90.7Very high89.5Confident10 Ų1063.9 Ų63.95%0.05332%0.322CS..Hα-helixtrans-65.6-30.5177.5-99.3-8.6000113.3R475 P476 L477 G478 A723R475-D727 VanDerWaalsContact CA-OD2 3.3Å; R475-D727 WeakPolarHBondContact CA-OD2 3.45Å; R475-D727 WeakPolarHBondContact CB-OD2 3.45Å; R475-D727 HydrophobicContact CG-CB 4.39Å; P476-D727 WeakPolarHBondContact CD-OD1 3.46Å; L477-D727 WeakPolarHBondContact CA-OD2 3.47Å; L477-D727 VanDerWaalsContact CB-CG 3.49Å; L477-D727 VanDerWaalsContact CB-OD1 3.26Å; L477-D727 WeakPolarHBondContact CB-OD1 3.06Å; L477-D727 WeakPolarHBondContact CG-OD1 3.31Å; L477-D727 PolarHBondContact N-OD1 2.94Å; L477-D727 PolarHBondContact N-OD2 2.8Å; G478-D727 PolarHBondContact N-OD2 2.79Å; A723-D727 WeakPolarHBondContact O-CB 3.32Å; A723-D727 PolarHBondContact O-N 3.21Å
728N89.9Confident88.6Confident98 Ų9859 Ų5952%0.52430%0.304SS..Hα-helixtrans-86.9-8.5-178.3-69.4-33.7000113.4R475 C724 R725 L726R475-N728 PolarHBondContact NE-OD1 3.46Å; R475-N728 PolarHBondContact NH2-OD1 3.14Å; C724-N728 VanDerWaalsContact O-CG 3.3Å; C724-N728 PolarHBondContact O-N 2.75Å; C724-N728 PolarHBondContact O-ND2 3.14Å; R725-N728 PolarHBondContact O-N 3Å; L726-N728 VanDerWaalsContact C-N 3.29Å; L726-N728 PolarHBondContact O-N 3.11Å
729L91.5Very high87.3Confident58 Ų5861.3 Ų61.330%0.30432%0.324SS..SBendtrans-71.3139.8175.7-73.8171.9000110.8P413 R725 L726 A733 Y734P413-L729 HydrophobicContact CB-CD1 3.91Å; P413-L729 HydrophobicContact CG-CD1 3.87Å; R725-L729 PolarHBondContact O-N 3.42Å; L726-L729 HydrophobicContact CD2-CD1 4.22Å; L726-L729 PolarHBondContact O-N 3.35Å; L729-A733 HydrophobicContact CB-CB 4.19Å; L729-A733 HydrophobicContact CD2-CB 4.43Å; L729-Y734 HydrophobicContact CB-CE2 3.88Å
730P87Confident84.9Confident78 Ų7865.2 Ų65.251%0.50636%0.364SS..  trans-65.8150.2174.529-34.7000110.5S732 A733P730-S732 PolarHBondContact O-N 3.48Å; P730-A733 HydrophobicContact CG-CB 4.33Å; P730-A733 VanDerWaalsContact O-CB 3.26Å; P730-A733 WeakPolarHBondContact O-CB 3.14Å; P730-A733 PolarHBondContact O-N 3.43Å
731S81.3Confident82.1Confident64 Ų6466.2 Ų66.245%0.44838%0.382SS..G310 helixtrans-56-26.5178.2-61.10000113A733 Y734 S735S731-A733 PolarHBondContact O-N 3.43Å; S731-Y734 PolarHBondContact O-N 3.3Å; S731-Y734 VanDerWaalsContact O-N 3.13Å; S731-S735 PolarHBondContact O-N 3.11Å
732S82.8Confident78.9Confident79 Ų7966.6 Ų66.655%0.55240%0.398SS*.G310 helixtrans-62.2-27.9174.356.30000113.7P730 Y734 S735P730-S732 PolarHBondContact O-N 3.48Å; S732-Y734 PolarHBondContact O-N 3.4Å; S732-S735 WeakPolarHBondContact CA-OG 3.41Å; S732-S735 PolarHBondContact O-N 3.49Å; S732-S735 VanDerWaalsContact O-N 3.07Å; S732-S735 PolarHBondContact O-OG 3.32Å
733A87.2Confident75.8Confident31 Ų3172.2 Ų72.226%0.25644%0.437SS..G310 helixtrans-67.4-18.4176.600000113P413 L729 P730 S731P413-A733 HydrophobicContact CG-CB 4.45Å; L729-A733 HydrophobicContact CB-CB 4.19Å; L729-A733 HydrophobicContact CD2-CB 4.43Å; P730-A733 HydrophobicContact CG-CB 4.33Å; P730-A733 VanDerWaalsContact O-CB 3.26Å; P730-A733 WeakPolarHBondContact O-CB 3.14Å; P730-A733 PolarHBondContact O-N 3.43Å; S731-A733 PolarHBondContact O-N 3.43Å
734Y86.4Confident72.7Confident2 Ų278.5 Ų78.51%0.00848%0.48CS..G310 helixtrans-97.5-11.3174.8-59.6-85.6000111.9L411 P413 V414 F576 I580 Y589 L726 L729 S731 S732L411-Y734 WeakPolarHBondContact CD1-O 3.38Å; P413-Y734 HydrophobicContact CB-CD1 3.8Å; P413-Y734 HydrophobicContact CB-CE1 3.38Å; V414-Y734 HydrophobicContact CG2-CD1 4.43Å; F576-Y734 HydrophobicContact CZ-CE1 4.14Å; F576-Y734 AromaticContact CZ-CZ 3.89Å; I580-Y734 HydrophobicContact CB-CD1 4.32Å; I580-Y734 HydrophobicContact CB-CD2 4.13Å; I580-Y734 HydrophobicContact CB-CG 3.88Å; I580-Y734 HydrophobicContact CD1-CD1 3.86Å; I580-Y734 HydrophobicContact CD1-CE1 4.26Å; I580-Y734 HydrophobicContact CD1-CG 4.29Å; I580-Y734 HydrophobicContact CG2-CD1 4.35Å; I580-Y734 HydrophobicContact CG2-CD2 3.77Å; I580-Y734 HydrophobicContact CG2-CE2 3.97Å; I580-Y734 HydrophobicContact CG2-CG 3.97Å; Y589-Y734 PolarHBondContact OH-O 3.06Å; L726-Y734 WeakPolarHBondContact CD2-OH 3.36Å; L726-Y734 PolarHBondContact O-OH 3.42Å; L729-Y734 HydrophobicContact CB-CE2 3.88Å; S731-Y734 PolarHBondContact O-N 3.3Å; S731-Y734 VanDerWaalsContact O-N 3.13Å; S732-Y734 PolarHBondContact O-N 3.4Å
735S83.6Confident69.6Low35 Ų3581.3 Ų81.325%0.24550%0.499CS..  trans-85.9134.7178.969.90000111.9S731 S732S731-S735 PolarHBondContact O-N 3.11Å; S732-S735 WeakPolarHBondContact CA-OG 3.41Å; S732-S735 PolarHBondContact O-N 3.49Å; S732-S735 VanDerWaalsContact O-N 3.07Å; S732-S735 PolarHBondContact O-OG 3.32Å
736F83.8Confident66.5Low70 Ų7087.3 Ų87.331%0.30752%0.522SS..  trans-106.5120.1169.3-178-92.4000109.4I404 V408 L411I404-F736 HydrophobicContact CG1-CD1 4.3Å; V408-F736 HydrophobicContact CG2-CB 3.9Å; L411-F736 HydrophobicContact CD1-CB 4.43Å
737R78Confident63.5Low210 Ų21094.8 Ų94.879%0.79256%0.557SS**  trans-103.1131.8175.5-64.8-174179.9-168.7-1109.9T739R737-T739 PolarHBondContact O-N 3Å; R737-T739 VanDerWaalsContact O-N 3.14Å
738L75.6Confident60.8Low66 Ų66100.5 Ų100.535%0.34659%0.592SS.*  trans-65.6110.6169.7-76.6149.3000108.8D400 R403 I404 G740D400-L738 HydrophobicContact CB-CD1 3.61Å; R403-L738 HydrophobicContact CB-CD2 3.94Å; I404-L738 HydrophobicContact CD1-CD1 3.78Å; I404-L738 HydrophobicContact CG1-CD1 3.72Å; I404-L738 HydrophobicContact CG1-CG 4.02Å; L738-G740 PolarHBondContact O-N 3.3Å
739T65.9Low57.8Low125 Ų125107.8 Ų107.877%0.76761%0.612SS**  trans-69.7110.5165.649.20000107.8R737 T741R737-T739 PolarHBondContact O-N 3Å; R737-T739 VanDerWaalsContact O-N 3.14Å; T739-T741 PolarHBondContact O-N 3.44Å
740G44.3Very low54.9Low82 Ų82111.7 Ų111.785%0.84563%0.633SS**  trans-55.8108-177.500000112.2L738 G742L738-G740 PolarHBondContact O-N 3.3Å; G740-G742 PolarHBondContact O-N 3.45Å
741T35.2Very low52.1Low135 Ų135117.4 Ų117.483%0.82865%0.65SS**  trans-82.7105.316347.10000108.3T739T739-T741 PolarHBondContact O-N 3.44Å
742G28.5Very low49.8Very low72 Ų72122.4 Ų122.474%0.74267%0.67SS**SBendtrans112.758.3156.500000118.7G740G740-G742 PolarHBondContact O-N 3.45Å
743C27.3Very low47.3Very low132 Ų132123.9 Ų123.989%0.89268%0.681SS**  trans-179.773137.9-102.50000110
744C28.3Very low44.6Very low133 Ų133131.2 Ų131.290%0.89971%0.712SS**  trans-99.4106.6150.2-92.10000106.1R746C744-R746 PolarHBondContact O-N 3.33Å
745S29.2Very low42Very low97 Ų97138.9 Ų138.968%0.67875%0.753SS**  trans-56.7123.516550.10000107.6Q747S745-Q747 PolarHBondContact O-N 3.37Å
746R27.2Very low39.4Very low256 Ų256145.5 Ų145.597%0.96678%0.78SS**  trans-71.573.7174.8-157-180-166.7-175.53.4107.3C744C744-R746 PolarHBondContact O-N 3.33Å
747Q30.3Very low36.9Very low158 Ų158149.6 Ų149.674%0.73881%0.805SS**  trans-137.5127.7176.7-115.1164.2-17.800110.4S745S745-Q747 PolarHBondContact O-N 3.37Å
748T33Very low34.7Very low129 Ų129149.2 Ų149.279%0.79181%0.812SS**  trans7060.9170.950.50000118.1N750T748-N750 VanDerWaalsContact C-N 3.27Å; T748-N750 PolarHBondContact O-N 3.21Å
749R26.6Very low32.6Very low252 Ų252152.6 Ų152.695%0.95184%0.836SS**  trans-8280.2144.5-163.7-174.1-78.3179.3-5.6107.5
750N32.2Very low30.9Very low139 Ų139155.7 Ų155.774%0.74384%0.842SS**  trans-135.5112.2171.7-97.9-15.8000110.1T748T748-N750 VanDerWaalsContact C-N 3.27Å; T748-N750 PolarHBondContact O-N 3.21Å
751K28.4Very low30.2Very low198 Ų198157.2 Ų157.286%0.86184%0.838SS**  trans40.794.6153.3-73.5179171.8178.40117.4
752I31.9Very low30.1Very low169 Ų169156.2 Ų156.287%0.86784%0.837SS**  trans-136.6129.6138.2-58.7-176.8000107.9
753S31.4Very low30Very low110 Ų110161.8 Ų161.877%0.76984%0.843SS**  trans-55.3133.1-173.5430000114.3N755S753-N755 PolarHBondContact O-N 3.23Å
754M28.8Very low30.3Very low186 Ų186163.7 Ų163.792%0.91684%0.844SS**  trans-63.2124.3161.6-70.3176.6100.700108.9
755N31.7Very low30.8Very low163 Ų163162.4 Ų162.487%0.87284%0.836SS**  trans-106.9123.8151.4-116.87.4000106.7S753S753-N755 PolarHBondContact O-N 3.23Å
756E30.2Very low31Very low174 Ų174163.3 Ų163.381%0.81384%0.838SS**  trans-62.3129.8176.1-66164.114300110.1
757N30.5Very low31.4Very low155 Ų155159.8 Ų159.883%0.82985%0.848SS**  trans152.891.5145.8-78.3-17.6000109.3
758E33.4Very low31.4Very low202 Ų202159.9 Ų159.994%0.94485%0.853SS**  trans171.775.7141.8-94.5174.1-171.900108.6
759T29.7Very low31.3Very low137 Ų137161.5 Ų161.584%0.8486%0.857SS**  trans-85.2117.4157.128.60000108.5
760E30.2Very low31.6Very low190 Ų190156.4 Ų156.489%0.88885%0.852SS**  trans-170152.3136.1-113.9176.6167.400113.8
761C29.8Very low31.6Very low115 Ų115157.5 Ų157.578%0.77786%0.858SS**  trans79.762.2174.3-75.10000119.8
762S32.7Very low31.8Very low113 Ų113154.9 Ų154.979%0.7986%0.858SS**  64.5104.3105.9-53.20000119.7
763Q28.4Very low31.8Very low190 Ų190154 Ų15489%0.88886%0.857SS**  trans-40.8134.1136-63179.7-25.200111.7
764L33.2Very low31.8Very low171 Ų171157.1 Ų157.190%0.89586%0.863SS**  trans-137.1121.2145.2-145.781.1000109.9
765S37.4Very low32Very low106 Ų106154.9 Ų154.974%0.74186%0.859SS**  trans-58.2149.2179.441.40000114.9
766T33.3Very low32Very low116 Ų116154.3 Ų154.371%0.71286%0.858SS**  trans-52.4161.6157.936.40000112.9
767P35.7Very low32.2Very low182 Ų182152.5 Ų152.5100%1.18286%0.862SS**  -81.7056.1-19.132.7000116.8

Retrieved 767 of 767 residues in 363.5 ms (Link to these results)

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