A0A3Q0KR19_SCHMA Loading...

Putative solute carrier family 33 (Acetyl-CoA transporter)

AlphaFold DB , UniProt , Accession A0A3Q0KR19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 759 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
1M91.1Very high95.2Very high82 Ų8228.5 Ų28.540%0.40415%0.145SC..  0-64.90-16463.485.200112.2L3 Y4 I5 C149 V152 G153M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.26Å; M1-Y4 WeakPolarHBondContact O-CA 3.46Å; M1-Y4 WeakPolarHBondContact O-CB 3.45Å; M1-Y4 PolarHBondContact O-N 3.38Å; M1-I5 HydrophobicContact CG-CD1 4.31Å; M1-I5 PolarHBondContact O-N 3.33Å; M1-C149 HydrophobicContact CE-CB 4.25Å; M1-C149 HydrophobicContact SD-CB 4.34Å; M1-C149 VanDerWaalsContact SD-O 3.33Å; M1-V152 HydrophobicContact CE-CB 3.95Å; M1-V152 HydrophobicContact CE-CG1 3.96Å; M1-V152 HydrophobicContact SD-CB 4.13Å; M1-V152 HydrophobicContact SD-CG1 4.13Å; M1-G153 VanDerWaalsContact SD-CA 3.6Å; M1-G153 PolarHBondContact SD-N 3.29Å; M1-G153 VanDerWaalsContact SD-N 3.43Å
2I93.9Very high95.2Very high119 Ų11926.2 Ų26.261%0.6113%0.133SC*.Hα-helixtrans-52-45.1-177.2-64.6172.5000112.9Y4 I5 L6I2-Y4 VanDerWaalsContact C-N 3.31Å; I2-Y4 PolarHBondContact O-N 2.71Å; I2-I5 WeakPolarHBondContact O-CB 3.38Å; I2-I5 PolarHBondContact O-N 3.06Å; I2-I5 VanDerWaalsContact O-N 3.08Å; I2-L6 HydrophobicContact CG2-CD1 4.42Å; I2-L6 PolarHBondContact O-N 3.27Å
3L95.1Very high95.3Very high26 Ų2624.2 Ų24.214%0.13612%0.122CC..Hα-helixtrans-59.9-39.3177.2-67.9175.1000113.3M1 L6 Q7 L68 V130 W133 L209M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.26Å; L3-L6 PolarHBondContact O-N 3.5Å; L3-Q7 PolarHBondContact O-N 2.88Å; L3-L68 HydrophobicContact CD1-CD2 3.83Å; L3-L68 HydrophobicContact CD2-CD1 4.23Å; L3-L68 HydrophobicContact CD2-CD2 4.16Å; L3-V130 HydrophobicContact CB-CG1 3.79Å; L3-V130 HydrophobicContact CB-CG2 3.96Å; L3-V130 HydrophobicContact CD1-CG1 4.39Å; L3-V130 HydrophobicContact CD1-CG2 4.21Å; L3-W133 HydrophobicContact CD1-CE3 3.67Å; L3-W133 HydrophobicContact CD1-CZ3 3.65Å; L3-L209 HydrophobicContact CD1-CD1 4.18Å; L3-L209 HydrophobicContact CD2-CD1 3.6Å; L3-L209 HydrophobicContact CG-CD1 4.32Å
4Y95.2Very high95.3Very high9 Ų923.3 Ų23.34%0.03512%0.12CC..Hα-helixtrans-69.4-33175-72-56.3000112.4M1 I2 Q7 G8 V130 D131 A134 C149 N150 G153 Q154M1-Y4 WeakPolarHBondContact O-CA 3.46Å; M1-Y4 WeakPolarHBondContact O-CB 3.45Å; M1-Y4 PolarHBondContact O-N 3.38Å; I2-Y4 VanDerWaalsContact C-N 3.31Å; I2-Y4 PolarHBondContact O-N 2.71Å; Y4-Q7 PolarHBondContact O-N 2.98Å; Y4-G8 PolarHBondContact O-N 3.21Å; Y4-G8 VanDerWaalsContact O-N 3.1Å; Y4-V130 HydrophobicContact CD1-CG1 3.85Å; Y4-V130 HydrophobicContact CD2-CG1 4.45Å; Y4-V130 HydrophobicContact CE1-CB 4.43Å; Y4-V130 HydrophobicContact CE1-CG1 3.55Å; Y4-V130 HydrophobicContact CE2-CG1 4.21Å; Y4-V130 HydrophobicContact CG-CG1 4.29Å; Y4-D131 VanDerWaalsContact CE1-OD1 3.29Å; Y4-D131 WeakPolarHBondContact CE1-OD1 2.89Å; Y4-D131 PolarHBondContact OH-OD1 2.96Å; Y4-A134 HydrophobicContact CE2-CB 4.2Å; Y4-A134 VanDerWaalsContact OH-CB 3.31Å; Y4-A134 WeakPolarHBondContact OH-CB 3.42Å; Y4-C149 WeakPolarHBondContact CB-O 3.4Å; Y4-C149 VanDerWaalsContact CD2-C 3.45Å; Y4-C149 HydrophobicContact CD2-CB 3.99Å; Y4-C149 VanDerWaalsContact CD2-O 3.29Å; Y4-C149 WeakPolarHBondContact CD2-O 3.01Å; Y4-C149 HydrophobicContact CE2-CB 4.13Å; Y4-N150 HydrophobicContact CD1-CB 4.28Å; Y4-N150 HydrophobicContact CD2-CB 4.26Å; Y4-N150 HydrophobicContact CE1-CB 3.93Å; Y4-N150 VanDerWaalsContact CE1-ND2 3.25Å; Y4-N150 WeakPolarHBondContact CE1-ND2 3.45Å; Y4-N150 HydrophobicContact CE2-CB 3.89Å; Y4-N150 HydrophobicContact CG-CB 4.44Å; Y4-G153 CarbonylContact O-C 3.45Å; Y4-Q154 HydrophobicContact CD1-CG 4.25Å; Y4-Q154 VanDerWaalsContact O-CA 3.31Å; Y4-Q154 WeakPolarHBondContact O-CA 3.31Å; Y4-Q154 PolarHBondContact O-N 3.45Å
5I96Very high95Very high41 Ų4123.2 Ų23.221%0.2112%0.124CC..Hα-helixtrans-61.2-49.4170.9-62.8173.1000110.2M1 I2 Q7 G8 I9 G153 I156 G157M1-I5 HydrophobicContact CG-CD1 4.31Å; M1-I5 PolarHBondContact O-N 3.33Å; I2-I5 WeakPolarHBondContact O-CB 3.38Å; I2-I5 PolarHBondContact O-N 3.06Å; I2-I5 VanDerWaalsContact O-N 3.08Å; I5-Q7 VanDerWaalsContact C-N 3.33Å; I5-Q7 PolarHBondContact O-N 2.7Å; I5-G8 PolarHBondContact O-N 3.26Å; I5-G8 VanDerWaalsContact O-N 3.12Å; I5-I9 PolarHBondContact O-N 3.21Å; I5-G153 VanDerWaalsContact CA-O 3.23Å; I5-G153 WeakPolarHBondContact CA-O 3.44Å; I5-I156 HydrophobicContact CD1-CG2 4.23Å; I5-I156 HydrophobicContact CG1-CB 4.25Å; I5-I156 HydrophobicContact CG1-CG2 4.24Å; I5-I156 HydrophobicContact CG2-CG2 4.15Å; I5-G157 VanDerWaalsContact O-CA 3.25Å; I5-G157 WeakPolarHBondContact O-CA 3.34Å
6L96.9Very high94.7Very high6 Ų621.8 Ų21.83%0.03112%0.116CC..Hα-helixtrans-60.1-43.7178.3-68.1173.8000111.4I2 L3 G8 I9 P10 Q72 W198 F202 T205I2-L6 HydrophobicContact CG2-CD1 4.42Å; I2-L6 PolarHBondContact O-N 3.27Å; L3-L6 PolarHBondContact O-N 3.5Å; L6-G8 PolarHBondContact O-N 3.35Å; L6-I9 WeakPolarHBondContact O-CB 3.27Å; L6-I9 PolarHBondContact O-N 3.42Å; L6-P10 WeakPolarHBondContact O-CD 3.5Å; L6-Q72 VanDerWaalsContact CD1-NE2 3.32Å; L6-W198 HydrophobicContact CD2-CZ3 4.05Å; L6-F202 HydrophobicContact CB-CE1 4.02Å; L6-F202 HydrophobicContact CB-CE2 4.5Å; L6-F202 HydrophobicContact CB-CZ 3.88Å; L6-F202 HydrophobicContact CD2-CD2 4.12Å; L6-F202 HydrophobicContact CD2-CE2 3.94Å; L6-F202 HydrophobicContact CD2-CZ 4.16Å; L6-F202 VanDerWaalsContact O-CZ 3.24Å; L6-F202 WeakPolarHBondContact O-CZ 3.3Å; L6-T205 HydrophobicContact CD1-CG2 4.48Å; L6-T205 WeakPolarHBondContact CD1-OG1 3.17Å
7Q94.2Very high94.5Very high0 Ų020.5 Ų20.50%011%0.109CC..Hα-helixtrans-58.5-35.6176.1-174.1-166.6-2400113.2L3 Y4 I5 I9 P10 D127L3-Q7 PolarHBondContact O-N 2.88Å; Y4-Q7 PolarHBondContact O-N 2.98Å; I5-Q7 VanDerWaalsContact C-N 3.33Å; I5-Q7 PolarHBondContact O-N 2.7Å; Q7-I9 PolarHBondContact O-N 2.79Å; Q7-P10 WeakPolarHBondContact O-CD 3.06Å; Q7-D127 HydrophobicContact CG-CB 4.27Å; Q7-D127 VanDerWaalsContact NE2-CB 3.33Å; Q7-D127 PolarHBondContact NE2-OD1 2.8Å; Q7-D127 PolarHBondContact NE2-OD2 3.43Å; Q7-D127 PolarHBondContact OE1-OD1 3.25Å
8G95.3Very high94Very high1 Ų120.8 Ų20.81%0.0111%0.113CC..Hα-helixtrans-65.6-22.7176.300000113.7Y4 I5 L6 I11 G12 G157 Y158Y4-G8 PolarHBondContact O-N 3.21Å; Y4-G8 VanDerWaalsContact O-N 3.1Å; I5-G8 PolarHBondContact O-N 3.26Å; I5-G8 VanDerWaalsContact O-N 3.12Å; L6-G8 PolarHBondContact O-N 3.35Å; G8-I11 PolarHBondContact O-N 3.44Å; G8-G12 PolarHBondContact O-N 2.99Å; G8-G157 VanDerWaalsContact C-C 3.5Å; G8-G157 CarbonylContact O-C 3.52Å; G8-Y158 VanDerWaalsContact O-CA 3.28Å; G8-Y158 WeakPolarHBondContact O-CA 3.49Å; G8-Y158 PolarHBondContact O-N 3.46Å
9I97.5Very high93.4Very high0 Ų021.4 Ų21.40%011%0.114CC..Hα-helixtrans-65.1-55.3-175.9-59.2-62.3000112.1I5 L6 Q7 I11 G12 L13 G157 A161 W198 F202I5-I9 PolarHBondContact O-N 3.21Å; L6-I9 WeakPolarHBondContact O-CB 3.27Å; L6-I9 PolarHBondContact O-N 3.42Å; Q7-I9 PolarHBondContact O-N 2.79Å; I9-I11 PolarHBondContact O-N 2.91Å; I9-G12 PolarHBondContact O-N 3.32Å; I9-L13 HydrophobicContact CG2-CD1 4.02Å; I9-L13 HydrophobicContact CG2-CG 4.36Å; I9-L13 WeakPolarHBondContact O-CB 3.36Å; I9-L13 WeakPolarHBondContact O-CG 3.37Å; I9-L13 PolarHBondContact O-N 3.49Å; I9-G157 WeakPolarHBondContact CD1-O 3.38Å; I9-A161 HydrophobicContact CB-CB 4.29Å; I9-A161 HydrophobicContact CD1-CB 3.93Å; I9-A161 HydrophobicContact CG2-CB 4.03Å; I9-A161 WeakPolarHBondContact O-CB 3.17Å; I9-W198 HydrophobicContact CB-CE3 4.49Å; I9-W198 HydrophobicContact CD1-CD2 4.02Å; I9-W198 HydrophobicContact CD1-CE3 4.08Å; I9-W198 HydrophobicContact CD1-CH2 3.42Å; I9-W198 VanDerWaalsContact CD1-CH2 3.42Å; I9-W198 HydrophobicContact CD1-CZ2 3.34Å; I9-W198 HydrophobicContact CD1-CZ3 3.79Å; I9-W198 HydrophobicContact CG1-CD2 4.08Å; I9-W198 HydrophobicContact CG1-CE3 3.8Å; I9-W198 HydrophobicContact CG1-CH2 3.87Å; I9-W198 HydrophobicContact CG1-CZ2 4.15Å; I9-W198 HydrophobicContact CG1-CZ3 3.69Å; I9-W198 HydrophobicContact CG2-CB 4.24Å; I9-W198 HydrophobicContact CG2-CD2 3.75Å; I9-W198 HydrophobicContact CG2-CE3 4.08Å; I9-W198 HydrophobicContact CG2-CG 3.8Å; I9-F202 HydrophobicContact CB-CE2 4.01Å; I9-F202 HydrophobicContact CB-CZ 4.26Å; I9-F202 HydrophobicContact CG1-CE2 4.34Å; I9-F202 HydrophobicContact CG2-CE2 4.03Å
10P97.4Very high92.9Very high0 Ų020.5 Ų20.50%011%0.109CC..Hα-helixtrans-51.3-42.5172-32.938000113.8L6 Q7 L13 S14 I75 L119 A123 F202L6-P10 WeakPolarHBondContact O-CD 3.5Å; Q7-P10 WeakPolarHBondContact O-CD 3.06Å; P10-L13 PolarHBondContact O-N 3.12Å; P10-S14 WeakPolarHBondContact O-CB 3.15Å; P10-S14 PolarHBondContact O-N 3.41Å; P10-S14 PolarHBondContact O-OG 3.04Å; P10-I75 HydrophobicContact CG-CG2 4.18Å; P10-L119 HydrophobicContact CB-CD2 4.37Å; P10-L119 HydrophobicContact CB-CG 4.09Å; P10-L119 HydrophobicContact CG-CD1 4.46Å; P10-L119 HydrophobicContact CG-CG 4.49Å; P10-A123 HydrophobicContact CB-CB 3.68Å; P10-A123 HydrophobicContact CG-CB 3.79Å; P10-F202 HydrophobicContact CG-CZ 4.35Å
11I94.7Very high92.5Very high30 Ų3019.6 Ų19.615%0.15410%0.104CC..Hα-helixtrans-66.4-44-178.3-54173.3000110.4G8 I9 S14 A15 F43 Y158G8-I11 PolarHBondContact O-N 3.44Å; I9-I11 PolarHBondContact O-N 2.91Å; I11-S14 PolarHBondContact O-N 3.49Å; I11-A15 PolarHBondContact O-N 3.07Å; I11-F43 HydrophobicContact CD1-CE1 4.06Å; I11-F43 HydrophobicContact CD1-CE2 4.15Å; I11-F43 HydrophobicContact CD1-CZ 3.68Å; I11-F43 HydrophobicContact CG1-CE2 3.76Å; I11-F43 HydrophobicContact CG1-CZ 3.67Å; I11-Y158 HydrophobicContact CB-CD2 4.36Å; I11-Y158 HydrophobicContact CG2-CD2 3.85Å; I11-Y158 HydrophobicContact CG2-CE2 4.27Å
12G95.2Very high91.7Very high0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-67.7-40.7177.700000113.1G8 I9 S14 A15 S16 Y158 F162G8-G12 PolarHBondContact O-N 2.99Å; I9-G12 PolarHBondContact O-N 3.32Å; G12-S14 VanDerWaalsContact C-N 3.34Å; G12-S14 PolarHBondContact O-N 3.43Å; G12-A15 PolarHBondContact O-N 3.47Å; G12-A15 VanDerWaalsContact O-N 3.17Å; G12-S16 PolarHBondContact O-N 3.44Å; G12-Y158 WeakPolarHBondContact CA-O 3.41Å; G12-F162 WeakPolarHBondContact O-CA 3.34Å; G12-F162 WeakPolarHBondContact O-CB 3.48Å
13L96.5Very high90.3Very high0 Ų012.6 Ų12.60%07%0.072CC..Hα-helixtrans-58.7-47.2173.7-75.1174000110.5I9 P10 A15 S16 L79 F116 L119 A161 F191 F194 L195I9-L13 HydrophobicContact CG2-CD1 4.02Å; I9-L13 HydrophobicContact CG2-CG 4.36Å; I9-L13 WeakPolarHBondContact O-CB 3.36Å; I9-L13 WeakPolarHBondContact O-CG 3.37Å; I9-L13 PolarHBondContact O-N 3.49Å; P10-L13 PolarHBondContact O-N 3.12Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 2.9Å; L13-S16 WeakPolarHBondContact O-CB 3.09Å; L13-S16 PolarHBondContact O-N 3.01Å; L13-S16 VanDerWaalsContact O-N 3.16Å; L13-S16 PolarHBondContact O-OG 3.5Å; L13-L79 HydrophobicContact CD1-CD2 3.48Å; L13-L79 VanDerWaalsContact CD1-CD2 3.48Å; L13-F116 HydrophobicContact CB-CE1 4.06Å; L13-L119 HydrophobicContact CD1-CD2 4.5Å; L13-A161 HydrophobicContact CD2-CB 4.43Å; L13-A161 HydrophobicContact CG-CB 4.02Å; L13-F191 HydrophobicContact CD2-CE2 4.21Å; L13-F194 HydrophobicContact CD2-CD1 3.86Å; L13-F194 HydrophobicContact CD2-CE1 3.74Å; L13-L195 HydrophobicContact CD1-CD2 3.69Å; L13-L195 HydrophobicContact CD2-CD2 3.89Å; L13-L195 HydrophobicContact CG-CD2 4.41Å
14S94.9Very high88.5Confident12 Ų1212.2 Ų12.28%0.0847%0.071CC..Hα-helixtrans-59.3-41.4174.9-62.60000112.2P10 I11 G12 S16 I17 P18 F36 V39 F116 T120P10-S14 WeakPolarHBondContact O-CB 3.15Å; P10-S14 PolarHBondContact O-N 3.41Å; P10-S14 PolarHBondContact O-OG 3.04Å; I11-S14 PolarHBondContact O-N 3.49Å; G12-S14 VanDerWaalsContact C-N 3.34Å; G12-S14 PolarHBondContact O-N 3.43Å; S14-S16 VanDerWaalsContact C-N 3.26Å; S14-S16 PolarHBondContact O-N 2.96Å; S14-I17 PolarHBondContact O-N 2.84Å; S14-P18 WeakPolarHBondContact O-CD 3.35Å; S14-F36 WeakPolarHBondContact O-CE1 3.4Å; S14-V39 VanDerWaalsContact OG-CG1 3.27Å; S14-V39 WeakPolarHBondContact OG-CG1 3.17Å; S14-F116 WeakPolarHBondContact OG-CD1 3.22Å; S14-T120 WeakPolarHBondContact OG-CG2 3.31Å
15A90.7Very high86.5Confident22 Ų2217 Ų1718%0.1829%0.09CC..Hα-helixtrans-68.8-22.6178.300000114I11 G12 L13 Y158 F162I11-A15 PolarHBondContact O-N 3.07Å; G12-A15 PolarHBondContact O-N 3.47Å; G12-A15 VanDerWaalsContact O-N 3.17Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 2.9Å; A15-Y158 HydrophobicContact CB-CE2 3.46Å; A15-Y158 VanDerWaalsContact CB-CE2 3.46Å; A15-Y158 WeakPolarHBondContact CB-OH 3.18Å; A15-F162 HydrophobicContact CB-CD1 4.37Å; A15-F162 HydrophobicContact CB-CD2 4.43Å; A15-F162 HydrophobicContact CB-CG 4.22Å
16S90.7Very high84.5Confident0 Ų019.7 Ų19.70%010%0.098CC..Hα-helixtrans-69.2-33.2176.477.90000113.3G12 L13 S14 F19 M20 F162G12-S16 PolarHBondContact O-N 3.44Å; L13-S16 WeakPolarHBondContact O-CB 3.09Å; L13-S16 PolarHBondContact O-N 3.01Å; L13-S16 VanDerWaalsContact O-N 3.16Å; L13-S16 PolarHBondContact O-OG 3.5Å; S14-S16 VanDerWaalsContact C-N 3.26Å; S14-S16 PolarHBondContact O-N 2.96Å; S16-F19 WeakPolarHBondContact O-CB 3.32Å; S16-F19 PolarHBondContact O-N 2.87Å; S16-M20 WeakPolarHBondContact O-CG 3.26Å; S16-M20 PolarHBondContact O-N 3.19Å; S16-F162 VanDerWaalsContact CA-CD2 3.46Å
17I91.2Very high82.5Confident0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-62.5-51.1-173.5-61.3-62.4000112.4S14 F19 M20 L21 F36 F116 F191S14-I17 PolarHBondContact O-N 2.84Å; I17-F19 VanDerWaalsContact C-N 3.25Å; I17-F19 PolarHBondContact O-N 2.96Å; I17-M20 HydrophobicContact CD1-SD 4.49Å; I17-M20 WeakPolarHBondContact O-CB 3.42Å; I17-M20 PolarHBondContact O-N 2.88Å; I17-L21 HydrophobicContact CG2-CD1 3.87Å; I17-L21 HydrophobicContact CG2-CG 4.07Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.48Å; I17-F36 HydrophobicContact CB-CD1 4.18Å; I17-F36 HydrophobicContact CB-CE1 3.54Å; I17-F36 HydrophobicContact CB-CE2 4.13Å; I17-F36 HydrophobicContact CB-CZ 3.5Å; I17-F36 VanDerWaalsContact CB-CZ 3.5Å; I17-F36 HydrophobicContact CG1-CE1 4.06Å; I17-F36 HydrophobicContact CG1-CE2 4.22Å; I17-F36 HydrophobicContact CG1-CZ 3.56Å; I17-F36 HydrophobicContact CG2-CD1 4.04Å; I17-F36 HydrophobicContact CG2-CD2 3.98Å; I17-F36 HydrophobicContact CG2-CE1 3.79Å; I17-F36 HydrophobicContact CG2-CE2 3.71Å; I17-F36 HydrophobicContact CG2-CG 4.14Å; I17-F36 HydrophobicContact CG2-CZ 3.61Å; I17-F116 HydrophobicContact CD1-CE2 4.26Å; I17-F116 HydrophobicContact CD1-CZ 3.93Å; I17-F116 HydrophobicContact CG1-CE1 4.07Å; I17-F116 HydrophobicContact CG1-CE2 4.22Å; I17-F116 HydrophobicContact CG1-CZ 3.84Å; I17-F191 HydrophobicContact CD1-CE1 3.48Å; I17-F191 VanDerWaalsContact CD1-CE1 3.48Å; I17-F191 HydrophobicContact CD1-CZ 3.64Å
18P86.4Confident80.8Confident27 Ų2721.1 Ų21.118%0.17511%0.111CC..Hα-helixtrans-55.7-39.4176.1-27.135.4000113.4S14 L21 Q22 F36S14-P18 WeakPolarHBondContact O-CD 3.35Å; P18-L21 PolarHBondContact O-N 3.31Å; P18-Q22 WeakPolarHBondContact O-CG 3.41Å; P18-Q22 PolarHBondContact O-N 3.43Å; P18-F36 HydrophobicContact CG-CD1 3.97Å; P18-F36 HydrophobicContact CG-CE1 4.4Å
19F82.6Confident79.7Confident31 Ų3122.6 Ų22.614%0.13612%0.12CC..Hα-helixtrans-66.5-36.3176-88-95.5000112.5S16 I17 F162 L166 I440S16-F19 WeakPolarHBondContact O-CB 3.32Å; S16-F19 PolarHBondContact O-N 2.87Å; I17-F19 VanDerWaalsContact C-N 3.25Å; I17-F19 PolarHBondContact O-N 2.96Å; F19-F162 HydrophobicContact CB-CE2 3.99Å; F19-F162 HydrophobicContact CB-CZ 4.46Å; F19-F162 HydrophobicContact CD1-CE2 4.47Å; F19-F162 HydrophobicContact CD1-CZ 4.17Å; F19-F162 HydrophobicContact CD2-CE1 4.42Å; F19-F162 AromaticContact CD2-CE2 3.56Å; F19-F162 HydrophobicContact CD2-CE2 3.56Å; F19-F162 AromaticContact CD2-CZ 3.29Å; F19-F162 HydrophobicContact CD2-CZ 3.29Å; F19-F162 HydrophobicContact CE1-CZ 4.22Å; F19-F162 HydrophobicContact CE2-CE1 4.18Å; F19-F162 HydrophobicContact CE2-CE2 4.12Å; F19-F162 AromaticContact CE2-CZ 3.36Å; F19-F162 HydrophobicContact CE2-CZ 3.36Å; F19-F162 AromaticContact CG-CE2 3.75Å; F19-F162 HydrophobicContact CG-CE2 3.75Å; F19-F162 AromaticContact CG-CZ 3.72Å; F19-F162 HydrophobicContact CG-CZ 3.72Å; F19-F162 AromaticContact CZ-CZ 3.83Å; F19-F162 HydrophobicContact CZ-CZ 3.83Å; F19-L166 HydrophobicContact CB-CD1 4.11Å; F19-I440 HydrophobicContact CD1-CD1 4.13Å; F19-I440 HydrophobicContact CE1-CD1 4.19Å
20M83.5Confident78.5Confident4 Ų423.7 Ų23.72%0.0213%0.125CC..Hα-helixtrans-70.3-40174-67178.87800112.1S16 I17 Q22 S23 L90 L101 F165 L166 E169 F191S16-M20 WeakPolarHBondContact O-CG 3.26Å; S16-M20 PolarHBondContact O-N 3.19Å; I17-M20 HydrophobicContact CD1-SD 4.49Å; I17-M20 WeakPolarHBondContact O-CB 3.42Å; I17-M20 PolarHBondContact O-N 2.88Å; M20-Q22 PolarHBondContact O-N 3.31Å; M20-S23 WeakPolarHBondContact O-CB 3.43Å; M20-S23 PolarHBondContact O-N 3Å; M20-S23 PolarHBondContact O-OG 3.34Å; M20-L90 HydrophobicContact CE-CD1 4.42Å; M20-L101 HydrophobicContact CB-CD2 4.18Å; M20-F165 HydrophobicContact CE-CZ 4.31Å; M20-F165 HydrophobicContact SD-CE1 3.7Å; M20-F165 HydrophobicContact SD-CZ 3.96Å; M20-L166 HydrophobicContact CG-CD2 3.63Å; M20-L166 HydrophobicContact SD-CD2 4.31Å; M20-E169 WeakPolarHBondContact CE-OE1 3.24Å; M20-F191 HydrophobicContact CE-CD1 3.95Å; M20-F191 HydrophobicContact CE-CE1 4.33Å; M20-F191 HydrophobicContact SD-CD1 4.12Å; M20-F191 HydrophobicContact SD-CE1 3.94Å
21L83.1Confident77.4Confident1 Ų127.6 Ų27.61%0.00514%0.143CC..Hα-helixtrans-62.1-27.4179.7-71.2174.9000112.7I17 P18 S23 T27 G28 L101 V107 I109I17-L21 HydrophobicContact CG2-CD1 3.87Å; I17-L21 HydrophobicContact CG2-CG 4.07Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.48Å; P18-L21 PolarHBondContact O-N 3.31Å; L21-S23 PolarHBondContact O-N 3.41Å; L21-T27 CarbonylContact O-C 3.43Å; L21-T27 VanDerWaalsContact O-C 3.29Å; L21-T27 WeakPolarHBondContact O-CB 3.36Å; L21-T27 PolarHBondContact O-OG1 3.19Å; L21-G28 VanDerWaalsContact O-CA 3.25Å; L21-G28 WeakPolarHBondContact O-CA 3.19Å; L21-G28 PolarHBondContact O-N 3.17Å; L21-L101 HydrophobicContact CD2-CD2 4.33Å; L21-V107 HydrophobicContact CD2-CB 4.35Å; L21-V107 HydrophobicContact CD2-CG1 3.74Å; L21-V107 HydrophobicContact CD2-CG2 4.3Å; L21-I109 HydrophobicContact CD1-CD1 3.58Å
22Q75.3Confident76.8Confident22 Ų2227.1 Ų27.110%0.10314%0.144CC..THydrogen-bonded Turntrans-73.3-1.4174.4-70.3179.215.400114.4P18 M20 S24 I440P18-Q22 WeakPolarHBondContact O-CG 3.41Å; P18-Q22 PolarHBondContact O-N 3.43Å; M20-Q22 PolarHBondContact O-N 3.31Å; Q22-S24 PolarHBondContact O-N 2.85Å; Q22-I440 HydrophobicContact CB-CG2 4.06Å
23S63.3Low76.2Confident32 Ų3227.7 Ų27.722%0.22415%0.146CC..THydrogen-bonded Turntrans-57.9-29.117756.70000114M20 L21 K446M20-S23 WeakPolarHBondContact O-CB 3.43Å; M20-S23 PolarHBondContact O-N 3Å; M20-S23 PolarHBondContact O-OG 3.34Å; L21-S23 PolarHBondContact O-N 3.41Å; S23-K446 VanDerWaalsContact CB-NZ 3.26Å
24S58.8Low75.5Confident18 Ų1828.6 Ų28.613%0.12615%0.154CC..SBendtrans-134.6142.2176-172.20000110.6Q22 Y26 T27 G28Q22-S24 PolarHBondContact O-N 2.85Å; S24-Y26 PolarHBondContact O-N 3.01Å; S24-Y26 VanDerWaalsContact O-N 3.12Å; S24-Y26 VanDerWaalsContact OG-CD2 3.32Å; S24-Y26 WeakPolarHBondContact OG-CD2 3.31Å; S24-Y26 PolarHBondContact OG-N 2.84Å; S24-T27 WeakPolarHBondContact CB-OG1 3.31Å; S24-T27 PolarHBondContact N-OG1 2.9Å; S24-T27 PolarHBondContact O-N 2.96Å; S24-T27 PolarHBondContact O-OG1 3.42Å; S24-T27 VanDerWaalsContact O-OG1 3.13Å; S24-G28 PolarHBondContact O-N 3.46Å
25Y52.8Low75.1Confident109 Ų10930.7 Ų30.743%0.42717%0.166SC..THydrogen-bonded Turntrans-55.4-27.4171.1-166.6-97.4000112.6I675Y25-I675 HydrophobicContact CD1-CD1 4.32Å; Y25-I675 HydrophobicContact CD1-CG2 4.24Å; Y25-I675 HydrophobicContact CE1-CB 3.51Å; Y25-I675 HydrophobicContact CE1-CD1 3.15Å; Y25-I675 HydrophobicContact CE1-CG1 3.48Å; Y25-I675 VanDerWaalsContact CE1-CG1 3.48Å; Y25-I675 HydrophobicContact CE1-CG2 3.34Å; Y25-I675 VanDerWaalsContact CZ-CD1 3.41Å; Y25-I675 WeakPolarHBondContact OH-CD1 3.45Å; Y25-I675 WeakPolarHBondContact OH-CG1 3.5Å
26Y52.8Low75.1Confident99 Ų9929.8 Ų29.839%0.38816%0.158SC..THydrogen-bonded Turntrans-76.9-26.3177.6-56.7-68.5000113.7S24 P672S24-Y26 PolarHBondContact O-N 3.01Å; S24-Y26 VanDerWaalsContact O-N 3.12Å; S24-Y26 VanDerWaalsContact OG-CD2 3.32Å; S24-Y26 WeakPolarHBondContact OG-CD2 3.31Å; S24-Y26 PolarHBondContact OG-N 2.84Å; Y26-P672 HydrophobicContact CD1-CB 4.4Å
27T55.2Low74.9Confident20 Ų2031 Ų3112%0.12317%0.166CC..THydrogen-bonded Turntrans-103.7-17.8-177.256.20000113.6L21 S24 S29 L101 V107L21-T27 CarbonylContact O-C 3.43Å; L21-T27 VanDerWaalsContact O-C 3.29Å; L21-T27 WeakPolarHBondContact O-CB 3.36Å; L21-T27 PolarHBondContact O-OG1 3.19Å; S24-T27 WeakPolarHBondContact CB-OG1 3.31Å; S24-T27 PolarHBondContact N-OG1 2.9Å; S24-T27 PolarHBondContact O-N 2.96Å; S24-T27 PolarHBondContact O-OG1 3.42Å; S24-T27 VanDerWaalsContact O-OG1 3.13Å; T27-S29 PolarHBondContact O-N 2.85Å; T27-L101 HydrophobicContact CG2-CB 4.46Å; T27-V107 HydrophobicContact CG2-CG2 3.77Å
28G59Low74.9Confident16 Ų1634.1 Ų34.117%0.16518%0.183CC..  trans-8915.4-169.500000116.8L21 S24 Y30 Q33L21-G28 VanDerWaalsContact O-CA 3.25Å; L21-G28 WeakPolarHBondContact O-CA 3.19Å; L21-G28 PolarHBondContact O-N 3.17Å; S24-G28 PolarHBondContact O-N 3.46Å; G28-Y30 PolarHBondContact O-N 3.07Å; G28-Q33 PolarHBondContact O-NE2 2.85Å
29S71.3Confident75.3Confident31 Ų3133 Ų3322%0.21718%0.175CC..  trans-49.5130.9-179.4158.60000111.8T27 Q31 A32 Q33T27-S29 PolarHBondContact O-N 2.85Å; S29-Q31 PolarHBondContact O-N 3.23Å; S29-Q31 PolarHBondContact OG-N 2.83Å; S29-Q31 PolarHBondContact OG-OE1 2.84Å; S29-A32 WeakPolarHBondContact O-CB 3.44Å; S29-A32 PolarHBondContact O-N 2.9Å; S29-Q33 PolarHBondContact O-N 3.38Å; S29-Q33 VanDerWaalsContact O-N 3.11Å
30Y72.6Confident75.7Confident24 Ų2435.3 Ų35.39%0.09419%0.188CC..Hα-helixtrans-56.2-32.3177.6-73.3-71.7000112G28 Q33 A34 L437 E441 I612G28-Y30 PolarHBondContact O-N 3.07Å; Y30-Q33 PolarHBondContact O-N 3.29Å; Y30-A34 WeakPolarHBondContact O-CB 3.4Å; Y30-A34 PolarHBondContact O-N 3.03Å; Y30-L437 HydrophobicContact CD1-CD1 4.29Å; Y30-L437 HydrophobicContact CE1-CB 4.24Å; Y30-L437 HydrophobicContact CE1-CD1 3.87Å; Y30-E441 PolarHBondContact OH-OE2 3.5Å; Y30-I612 HydrophobicContact CD1-CG2 4.17Å; Y30-I612 HydrophobicContact CD2-CG2 4.22Å; Y30-I612 HydrophobicContact CE1-CD1 4.15Å; Y30-I612 HydrophobicContact CG-CG2 3.97Å
31Q75.7Confident76Confident82 Ų8238.5 Ų38.538%0.38320%0.2SC..Hα-helixtrans-63.7-44.9174.6-64.480.9-2.800111.8S29 Q33 A34 T35S29-Q31 PolarHBondContact O-N 3.23Å; S29-Q31 PolarHBondContact OG-N 2.83Å; S29-Q31 PolarHBondContact OG-OE1 2.84Å; Q31-Q33 VanDerWaalsContact C-N 3.32Å; Q31-Q33 PolarHBondContact O-N 2.8Å; Q31-A34 PolarHBondContact O-N 3.36Å; Q31-T35 PolarHBondContact O-N 3.45Å; Q31-T35 PolarHBondContact O-OG1 2.89Å; Q31-T35 VanDerWaalsContact O-OG1 3.1Å
32A81.1Confident76.6Confident20 Ų2038.5 Ų38.517%0.16520%0.2CC..Hα-helixtrans-63.2-40.1176.200000111.5S29 T35 F36 I109S29-A32 WeakPolarHBondContact O-CB 3.44Å; S29-A32 PolarHBondContact O-N 2.9Å; A32-T35 PolarHBondContact O-N 2.99Å; A32-F36 WeakPolarHBondContact O-CB 3.4Å; A32-F36 PolarHBondContact O-N 2.92Å; A32-I109 HydrophobicContact CB-CD1 4.38Å; A32-I109 HydrophobicContact CB-CG1 4.1Å
33Q82.9Confident77.4Confident11 Ų1137.9 Ų37.95%0.05120%0.197CC..Hα-helixtrans-65-39.8174.4-64-175.852.300111.9G28 S29 Y30 Q31 F36 S37G28-Q33 PolarHBondContact O-NE2 2.85Å; S29-Q33 PolarHBondContact O-N 3.38Å; S29-Q33 VanDerWaalsContact O-N 3.11Å; Y30-Q33 PolarHBondContact O-N 3.29Å; Q31-Q33 VanDerWaalsContact C-N 3.32Å; Q31-Q33 PolarHBondContact O-N 2.8Å; Q33-F36 PolarHBondContact O-N 3.27Å; Q33-S37 WeakPolarHBondContact O-CB 3.45Å; Q33-S37 PolarHBondContact O-N 3.31Å
34A81.3Confident78.6Confident19 Ų1936.5 Ų36.516%0.15719%0.188CC..Hα-helixtrans-64.6-43.5175.600000111.6Y30 Q31 F36 S37Y30-A34 WeakPolarHBondContact O-CB 3.4Å; Y30-A34 PolarHBondContact O-N 3.03Å; Q31-A34 PolarHBondContact O-N 3.36Å; A34-F36 PolarHBondContact O-N 3.19Å; A34-S37 WeakPolarHBondContact O-CB 3.32Å; A34-S37 PolarHBondContact O-N 2.98Å; A34-S37 PolarHBondContact O-OG 3.36Å
35T86.5Confident80.1Confident57 Ų5740.4 Ų40.435%0.3520%0.203SC..Hα-helixtrans-58.3-48.4173.1-58.20000111Q31 A32 S37 L38 T113Q31-T35 PolarHBondContact O-N 3.45Å; Q31-T35 PolarHBondContact O-OG1 2.89Å; Q31-T35 VanDerWaalsContact O-OG1 3.1Å; A32-T35 PolarHBondContact O-N 2.99Å; T35-S37 VanDerWaalsContact C-N 3.26Å; T35-S37 PolarHBondContact O-N 3.14Å; T35-L38 WeakPolarHBondContact O-CB 3.49Å; T35-L38 WeakPolarHBondContact O-CG 3.3Å; T35-L38 PolarHBondContact O-N 2.98Å; T35-T113 WeakPolarHBondContact O-CG2 3.29Å
36F90.4Very high82Confident3 Ų335.2 Ų35.21%0.01318%0.182CC..Hα-helixtrans-66.7-27179.1-168.2-92.1000112.8S14 I17 P18 A32 Q33 A34 L38 V39 I109 L112 F116S14-F36 WeakPolarHBondContact O-CE1 3.4Å; I17-F36 HydrophobicContact CB-CD1 4.18Å; I17-F36 HydrophobicContact CB-CE1 3.54Å; I17-F36 HydrophobicContact CB-CE2 4.13Å; I17-F36 HydrophobicContact CB-CZ 3.5Å; I17-F36 VanDerWaalsContact CB-CZ 3.5Å; I17-F36 HydrophobicContact CG1-CE1 4.06Å; I17-F36 HydrophobicContact CG1-CE2 4.22Å; I17-F36 HydrophobicContact CG1-CZ 3.56Å; I17-F36 HydrophobicContact CG2-CD1 4.04Å; I17-F36 HydrophobicContact CG2-CD2 3.98Å; I17-F36 HydrophobicContact CG2-CE1 3.79Å; I17-F36 HydrophobicContact CG2-CE2 3.71Å; I17-F36 HydrophobicContact CG2-CG 4.14Å; I17-F36 HydrophobicContact CG2-CZ 3.61Å; P18-F36 HydrophobicContact CG-CD1 3.97Å; P18-F36 HydrophobicContact CG-CE1 4.4Å; A32-F36 WeakPolarHBondContact O-CB 3.4Å; A32-F36 PolarHBondContact O-N 2.92Å; Q33-F36 PolarHBondContact O-N 3.27Å; A34-F36 PolarHBondContact O-N 3.19Å; F36-L38 PolarHBondContact O-N 3.3Å; F36-V39 HydrophobicContact CD1-CG2 4.4Å; F36-V39 HydrophobicContact CD2-CG2 4.14Å; F36-V39 HydrophobicContact CE1-CB 4.38Å; F36-V39 HydrophobicContact CE1-CG2 4.12Å; F36-V39 HydrophobicContact CE2-CG2 3.88Å; F36-V39 HydrophobicContact CG-CG2 4.39Å; F36-V39 HydrophobicContact CZ-CB 4.5Å; F36-V39 HydrophobicContact CZ-CG2 3.87Å; F36-V39 WeakPolarHBondContact O-CB 3.21Å; F36-V39 WeakPolarHBondContact O-CG2 3.2Å; F36-V39 PolarHBondContact O-N 3.17Å; F36-I109 HydrophobicContact CB-CD1 3.93Å; F36-I109 HydrophobicContact CB-CG1 4.43Å; F36-I109 HydrophobicContact CD2-CD1 4.16Å; F36-I109 HydrophobicContact CG-CD1 4.38Å; F36-L112 HydrophobicContact CD2-CB 4.3Å; F36-L112 HydrophobicContact CE2-CB 4.07Å; F36-F116 HydrophobicContact CE2-CB 4.1Å; F36-F116 HydrophobicContact CE2-CD2 4.18Å; F36-F116 HydrophobicContact CE2-CG 4.14Å; F36-F116 HydrophobicContact CZ-CB 3.92Å; F36-F116 HydrophobicContact CZ-CD1 4.09Å; F36-F116 HydrophobicContact CZ-CD2 4.18Å; F36-F116 AromaticContact CZ-CG 3.81Å; F36-F116 HydrophobicContact CZ-CG 3.81Å
37S88Confident83.8Confident24 Ų2432.8 Ų32.817%0.16818%0.176CC..Hα-helixtrans-60-20177.2810000113.7Q33 A34 T35 V39 I40 T606Q33-S37 WeakPolarHBondContact O-CB 3.45Å; Q33-S37 PolarHBondContact O-N 3.31Å; A34-S37 WeakPolarHBondContact O-CB 3.32Å; A34-S37 PolarHBondContact O-N 2.98Å; A34-S37 PolarHBondContact O-OG 3.36Å; T35-S37 VanDerWaalsContact C-N 3.26Å; T35-S37 PolarHBondContact O-N 3.14Å; S37-V39 PolarHBondContact O-N 2.9Å; S37-V39 VanDerWaalsContact O-N 3.16Å; S37-I40 WeakPolarHBondContact O-CG2 3.44Å; S37-I40 PolarHBondContact O-N 2.73Å; S37-T606 PolarHBondContact OG-OG1 3.32Å
38L90.3Very high85.5Confident67 Ų6734.4 Ų34.435%0.35119%0.191SC..G310 helixtrans-59.9-22.5173.2-64.8176.1000112.9T35 F36 I40 W41 T113T35-L38 WeakPolarHBondContact O-CB 3.49Å; T35-L38 WeakPolarHBondContact O-CG 3.3Å; T35-L38 PolarHBondContact O-N 2.98Å; F36-L38 PolarHBondContact O-N 3.3Å; L38-I40 PolarHBondContact O-N 3.21Å; L38-W41 HydrophobicContact CD2-CD2 3.76Å; L38-W41 HydrophobicContact CD2-CE3 3.85Å; L38-W41 HydrophobicContact CD2-CG 4.37Å; L38-W41 HydrophobicContact CD2-CH2 4.23Å; L38-W41 HydrophobicContact CD2-CZ2 4.01Å; L38-W41 HydrophobicContact CD2-CZ3 4.14Å; L38-W41 VanDerWaalsContact O-CB 3.24Å; L38-W41 WeakPolarHBondContact O-CB 3.49Å; L38-W41 PolarHBondContact O-N 3.41Å; L38-T113 HydrophobicContact CB-CG2 4.33Å
39V94.4Very high87.1Confident3 Ų335.4 Ų35.42%0.01819%0.19CC..G310 helixtrans-54-33.9175.7163.60000112.4S14 F36 S37 W41 P42 T113 F116 T120S14-V39 VanDerWaalsContact OG-CG1 3.27Å; S14-V39 WeakPolarHBondContact OG-CG1 3.17Å; F36-V39 HydrophobicContact CD1-CG2 4.4Å; F36-V39 HydrophobicContact CD2-CG2 4.14Å; F36-V39 HydrophobicContact CE1-CB 4.38Å; F36-V39 HydrophobicContact CE1-CG2 4.12Å; F36-V39 HydrophobicContact CE2-CG2 3.88Å; F36-V39 HydrophobicContact CG-CG2 4.39Å; F36-V39 HydrophobicContact CZ-CB 4.5Å; F36-V39 HydrophobicContact CZ-CG2 3.87Å; F36-V39 WeakPolarHBondContact O-CB 3.21Å; F36-V39 WeakPolarHBondContact O-CG2 3.2Å; F36-V39 PolarHBondContact O-N 3.17Å; S37-V39 PolarHBondContact O-N 2.9Å; S37-V39 VanDerWaalsContact O-N 3.16Å; V39-W41 VanDerWaalsContact C-N 3.31Å; V39-W41 PolarHBondContact O-N 3.1Å; V39-P42 VanDerWaalsContact O-CD 3.23Å; V39-P42 WeakPolarHBondContact O-CD 3.39Å; V39-T113 HydrophobicContact CG2-CG2 4.18Å; V39-F116 HydrophobicContact CB-CB 4.28Å; V39-F116 HydrophobicContact CG1-CB 3.67Å; V39-F116 HydrophobicContact CG2-CB 3.54Å; V39-T120 HydrophobicContact CG1-CG2 3.59Å; V39-T120 VanDerWaalsContact O-CB 3.29Å; V39-T120 WeakPolarHBondContact O-CB 3.38Å; V39-T120 WeakPolarHBondContact O-CG2 3.13Å; V39-T120 PolarHBondContact O-OG1 3.4Å
40I91Very high88.1Confident79 Ų7934 Ų3441%0.40518%0.18SC..G310 helixtrans-82.3-10.8-178.4-156.7159.5000113.4S37 L38 F43S37-I40 WeakPolarHBondContact O-CG2 3.44Å; S37-I40 PolarHBondContact O-N 2.73Å; L38-I40 PolarHBondContact O-N 3.21Å; I40-F43 HydrophobicContact CG1-CD2 4.44Å; I40-F43 WeakPolarHBondContact O-CB 3.49Å; I40-F43 PolarHBondContact O-N 3.19Å; I40-F43 VanDerWaalsContact O-N 3.16Å
41W91.1Very high88.9Confident71 Ų7132.9 Ų32.927%0.26918%0.176SC..Hα-helixtrans-62.5-30.1-172.7-76.427.7000115.5L38 V39 F43 S44 F45 T606L38-W41 HydrophobicContact CD2-CD2 3.76Å; L38-W41 HydrophobicContact CD2-CE3 3.85Å; L38-W41 HydrophobicContact CD2-CG 4.37Å; L38-W41 HydrophobicContact CD2-CH2 4.23Å; L38-W41 HydrophobicContact CD2-CZ2 4.01Å; L38-W41 HydrophobicContact CD2-CZ3 4.14Å; L38-W41 VanDerWaalsContact O-CB 3.24Å; L38-W41 WeakPolarHBondContact O-CB 3.49Å; L38-W41 PolarHBondContact O-N 3.41Å; V39-W41 VanDerWaalsContact C-N 3.31Å; V39-W41 PolarHBondContact O-N 3.1Å; W41-F43 PolarHBondContact O-N 3.21Å; W41-S44 CarbonylContact O-C 3.29Å; W41-S44 VanDerWaalsContact O-CA 3.32Å; W41-S44 WeakPolarHBondContact O-CA 3.44Å; W41-S44 VanDerWaalsContact O-CB 3.31Å; W41-S44 WeakPolarHBondContact O-CB 3.49Å; W41-S44 PolarHBondContact O-N 3.33Å; W41-F45 HydrophobicContact CB-CD2 4.13Å; W41-F45 HydrophobicContact CB-CE2 3.98Å; W41-F45 AromaticContact CD2-CE2 3.99Å; W41-F45 HydrophobicContact CD2-CE2 3.99Å; W41-F45 AromaticContact CE3-CE2 3.41Å; W41-F45 HydrophobicContact CE3-CE2 3.41Å; W41-F45 VanDerWaalsContact CE3-CE2 3.41Å; W41-F45 AromaticContact CE3-CZ 3.94Å; W41-F45 HydrophobicContact CE3-CZ 3.94Å; W41-F45 HydrophobicContact CG-CE2 4.32Å; W41-F45 HydrophobicContact CZ3-CE2 4.01Å; W41-F45 HydrophobicContact CZ3-CZ 4.1Å; W41-F45 WeakPolarHBondContact O-CD2 3.27Å; W41-F45 PolarHBondContact O-N 2.94Å; W41-T606 HydrophobicContact CZ2-CG2 4.46Å
42P94.7Very high89.6Confident2 Ų231.6 Ų31.61%0.01317%0.171CC..Hα-helixtrans-54.6-36.9172.6-28.537.1000113.7V39 S44 F45 K46 W49 F117 F121 A124V39-P42 VanDerWaalsContact O-CD 3.23Å; V39-P42 WeakPolarHBondContact O-CD 3.39Å; P42-S44 PolarHBondContact O-N 3.05Å; P42-F45 PolarHBondContact O-N 3.34Å; P42-F45 VanDerWaalsContact O-N 3.15Å; P42-K46 PolarHBondContact O-N 3.4Å; P42-W49 HydrophobicContact CB-CH2 4.19Å; P42-W49 VanDerWaalsContact O-CH2 3.26Å; P42-W49 WeakPolarHBondContact O-CH2 3.47Å; P42-F117 HydrophobicContact CG-CD2 3.79Å; P42-F117 HydrophobicContact CG-CE1 4.32Å; P42-F117 HydrophobicContact CG-CE2 3.58Å; P42-F117 HydrophobicContact CG-CG 4.26Å; P42-F117 HydrophobicContact CG-CZ 3.86Å; P42-F121 HydrophobicContact CB-CB 3.97Å; P42-F121 HydrophobicContact CB-CD2 4.2Å; P42-F121 HydrophobicContact CG-CB 4.05Å; P42-A124 HydrophobicContact CB-CB 4.2Å
43F92.1Very high90.1Very high9 Ų930.9 Ų30.94%0.03917%0.165CC..Hα-helixtrans-65.1-24.1173.6-77.6-82000113.5I11 I40 W41 T120 A123 A124 D127 N598I11-F43 HydrophobicContact CD1-CE1 4.06Å; I11-F43 HydrophobicContact CD1-CE2 4.15Å; I11-F43 HydrophobicContact CD1-CZ 3.68Å; I11-F43 HydrophobicContact CG1-CE2 3.76Å; I11-F43 HydrophobicContact CG1-CZ 3.67Å; I40-F43 HydrophobicContact CG1-CD2 4.44Å; I40-F43 WeakPolarHBondContact O-CB 3.49Å; I40-F43 PolarHBondContact O-N 3.19Å; I40-F43 VanDerWaalsContact O-N 3.16Å; W41-F43 PolarHBondContact O-N 3.21Å; F43-T120 HydrophobicContact CE2-CG2 4.31Å; F43-A123 HydrophobicContact CE2-CB 4.12Å; F43-A123 HydrophobicContact CZ-CB 3.67Å; F43-A124 HydrophobicContact CD1-CB 3.9Å; F43-A124 HydrophobicContact CD2-CB 4.28Å; F43-A124 HydrophobicContact CE1-CB 4.08Å; F43-A124 HydrophobicContact CE2-CB 4.44Å; F43-A124 HydrophobicContact CG-CB 4.01Å; F43-A124 HydrophobicContact CZ-CB 4.35Å; F43-D127 HydrophobicContact CE1-CB 4.13Å; F43-N598 PolarHBondContact O-ND2 3.38Å
44S89.7Confident90.2Very high3 Ų330.4 Ų30.42%0.02116%0.162CC..Hα-helixtrans-88.8-17.7176.2-60.50000112.7W41 P42 T595 N598 I599 S602W41-S44 CarbonylContact O-C 3.29Å; W41-S44 VanDerWaalsContact O-CA 3.32Å; W41-S44 WeakPolarHBondContact O-CA 3.44Å; W41-S44 VanDerWaalsContact O-CB 3.31Å; W41-S44 WeakPolarHBondContact O-CB 3.49Å; W41-S44 PolarHBondContact O-N 3.33Å; P42-S44 PolarHBondContact O-N 3.05Å; S44-T595 VanDerWaalsContact C-CG2 3.44Å; S44-T595 WeakPolarHBondContact O-CG2 3.48Å; S44-N598 PolarHBondContact OG-O 3.33Å; S44-I599 WeakPolarHBondContact O-CD1 3.2Å; S44-I599 WeakPolarHBondContact O-CG1 3.37Å; S44-I599 PolarHBondContact OG-N 2.95Å; S44-S602 PolarHBondContact OG-OG 3.43Å
45F89.7Confident90.5Very high99 Ų9930.3 Ų30.343%0.43416%0.161SC..Hα-helixtrans-111.82.6178.5-64.5-54.3000114.8W41 P42 L47 A48 W49W41-F45 HydrophobicContact CB-CD2 4.13Å; W41-F45 HydrophobicContact CB-CE2 3.98Å; W41-F45 AromaticContact CD2-CE2 3.99Å; W41-F45 HydrophobicContact CD2-CE2 3.99Å; W41-F45 AromaticContact CE3-CE2 3.41Å; W41-F45 HydrophobicContact CE3-CE2 3.41Å; W41-F45 VanDerWaalsContact CE3-CE2 3.41Å; W41-F45 AromaticContact CE3-CZ 3.94Å; W41-F45 HydrophobicContact CE3-CZ 3.94Å; W41-F45 HydrophobicContact CG-CE2 4.32Å; W41-F45 HydrophobicContact CZ3-CE2 4.01Å; W41-F45 HydrophobicContact CZ3-CZ 4.1Å; W41-F45 WeakPolarHBondContact O-CD2 3.27Å; W41-F45 PolarHBondContact O-N 2.94Å; P42-F45 PolarHBondContact O-N 3.34Å; P42-F45 VanDerWaalsContact O-N 3.15Å; F45-L47 PolarHBondContact O-N 2.9Å; F45-A48 WeakPolarHBondContact O-CB 3.05Å; F45-A48 PolarHBondContact O-N 2.94Å; F45-W49 VanDerWaalsContact C-CZ3 3.44Å; F45-W49 HydrophobicContact CB-CZ3 4.1Å; F45-W49 VanDerWaalsContact O-CZ3 3.23Å; F45-W49 WeakPolarHBondContact O-CZ3 3.18Å
46K93.3Very high90.7Very high0 Ų032 Ų320%017%0.166CC..G310 helixtrans-56.4-19-177.572.2178.3-176.4156.70114.5P42 A48 W49 A50 A124 D127 I128 D131 T591 T595P42-K46 PolarHBondContact O-N 3.4Å; K46-A48 PolarHBondContact O-N 2.72Å; K46-A48 VanDerWaalsContact O-N 3.17Å; K46-W49 VanDerWaalsContact CA-CH2 3.45Å; K46-W49 HydrophobicContact CB-CH2 3.92Å; K46-W49 HydrophobicContact CB-CZ2 3.64Å; K46-W49 PolarHBondContact O-N 2.75Å; K46-A50 WeakPolarHBondContact O-CA 3.23Å; K46-A50 WeakPolarHBondContact O-CB 3.23Å; K46-A50 PolarHBondContact O-N 3.13Å; K46-A124 HydrophobicContact CB-CB 4.35Å; K46-D127 IonicContact NZ-OD2 2.72Å; K46-D127 PolarHBondContact NZ-OD2 2.96Å; K46-I128 HydrophobicContact CB-CD1 3.82Å; K46-I128 HydrophobicContact CB-CG1 4.28Å; K46-I128 HydrophobicContact CD-CD1 4.4Å; K46-I128 HydrophobicContact CD-CG1 3.91Å; K46-I128 HydrophobicContact CG-CD1 4.36Å; K46-I128 HydrophobicContact CG-CG1 4.32Å; K46-D131 IonicContact NZ-OD2 3.82Å; K46-T591 HydrophobicContact CD-CG2 4.14Å; K46-T591 HydrophobicContact CG-CG2 4.03Å; K46-T595 WeakPolarHBondContact CE-OG1 3.47Å; K46-T595 HydrophobicContact CG-CG2 4.1Å; K46-T595 WeakPolarHBondContact CG-OG1 3.23Å
47L89.8Confident90.7Very high48 Ų4835.9 Ų35.925%0.25118%0.181SC..G310 helixtrans-54.4-30168.776.891.6000113.3F45 W49 P51 M405 T595 I599F45-L47 PolarHBondContact O-N 2.9Å; L47-W49 PolarHBondContact O-N 3.45Å; L47-P51 WeakPolarHBondContact O-CD 3.47Å; L47-M405 HydrophobicContact CB-SD 4.48Å; L47-T595 HydrophobicContact CB-CG2 3.88Å; L47-T595 HydrophobicContact CD2-CG2 3.81Å; L47-T595 HydrophobicContact CG-CG2 4.17Å; L47-I599 HydrophobicContact CD2-CD1 4.18Å
48A90.3Very high90.8Very high55 Ų5536.9 Ų36.946%0.45519%0.188SC..G310 helixtrans-67.6-36.6-175.500000112F45 K46 Y402F45-A48 WeakPolarHBondContact O-CB 3.05Å; F45-A48 PolarHBondContact O-N 2.94Å; K46-A48 PolarHBondContact O-N 2.72Å; K46-A48 VanDerWaalsContact O-N 3.17Å; A48-Y402 PolarHBondContact O-OH 2.92Å
49W93.3Very high90.5Very high37 Ų3738 Ų3814%0.1420%0.198CC..THydrogen-bonded Turntrans-113.6-5.117967.697.8000114.1P42 F45 K46 L47 P51 I52 I53 F121 A124 T125P42-W49 HydrophobicContact CB-CH2 4.19Å; P42-W49 VanDerWaalsContact O-CH2 3.26Å; P42-W49 WeakPolarHBondContact O-CH2 3.47Å; F45-W49 VanDerWaalsContact C-CZ3 3.44Å; F45-W49 HydrophobicContact CB-CZ3 4.1Å; F45-W49 VanDerWaalsContact O-CZ3 3.23Å; F45-W49 WeakPolarHBondContact O-CZ3 3.18Å; K46-W49 VanDerWaalsContact CA-CH2 3.45Å; K46-W49 HydrophobicContact CB-CH2 3.92Å; K46-W49 HydrophobicContact CB-CZ2 3.64Å; K46-W49 PolarHBondContact O-N 2.75Å; L47-W49 PolarHBondContact O-N 3.45Å; W49-P51 VanDerWaalsContact C-N 3.34Å; W49-I52 HydrophobicContact CB-CD1 4.2Å; W49-I52 WeakPolarHBondContact O-CA 3.28Å; W49-I52 VanDerWaalsContact O-CB 3.23Å; W49-I52 WeakPolarHBondContact O-CB 3.48Å; W49-I52 PolarHBondContact O-N 2.71Å; W49-I53 PolarHBondContact O-N 3.49Å; W49-F121 AromaticContact CD2-CE2 4Å; W49-F121 HydrophobicContact CD2-CE2 4Å; W49-F121 HydrophobicContact CD2-CZ 4.34Å; W49-F121 AromaticContact CE2-CE2 3.75Å; W49-F121 AromaticContact CE3-CE2 3.99Å; W49-F121 HydrophobicContact CE3-CE2 3.99Å; W49-F121 AromaticContact CH2-CD2 3.67Å; W49-F121 HydrophobicContact CH2-CD2 3.67Å; W49-F121 AromaticContact CH2-CE2 3.56Å; W49-F121 HydrophobicContact CH2-CE2 3.56Å; W49-F121 AromaticContact CZ2-CD2 3.74Å; W49-F121 HydrophobicContact CZ2-CD2 3.74Å; W49-F121 AromaticContact CZ2-CE2 3.55Å; W49-F121 HydrophobicContact CZ2-CE2 3.55Å; W49-F121 HydrophobicContact CZ2-CZ 4.29Å; W49-F121 HydrophobicContact CZ3-CD2 4.27Å; W49-F121 AromaticContact CZ3-CE2 3.78Å; W49-F121 HydrophobicContact CZ3-CE2 3.78Å; W49-A124 HydrophobicContact CZ2-CB 4.1Å; W49-T125 PolarHBondContact NE1-OG1 3.09Å
50A91.1Very high90.1Very high1 Ų141.3 Ų41.31%0.00821%0.213CC..Hα-helixtrans-52.4-43.9177.100000114K46 I52 I53 D54 I128 T591K46-A50 WeakPolarHBondContact O-CA 3.23Å; K46-A50 WeakPolarHBondContact O-CB 3.23Å; K46-A50 PolarHBondContact O-N 3.13Å; A50-I52 PolarHBondContact O-N 3.11Å; A50-I53 PolarHBondContact O-N 3.47Å; A50-I53 VanDerWaalsContact O-N 3.11Å; A50-D54 PolarHBondContact O-N 2.91Å; A50-I128 HydrophobicContact CB-CD1 3.86Å; A50-I128 HydrophobicContact CB-CG1 4.33Å; A50-I128 HydrophobicContact CB-CG2 4.16Å; A50-T591 HydrophobicContact CB-CG2 3.45Å; A50-T591 VanDerWaalsContact CB-CG2 3.45Å
51P89.4Confident89.9Confident0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-60.9-30.6175.7-28.240000113.6L47 W49 S55 L398 T401 Y402 M405 T588L47-P51 WeakPolarHBondContact O-CD 3.47Å; W49-P51 VanDerWaalsContact C-N 3.34Å; P51-S55 WeakPolarHBondContact O-CB 3.44Å; P51-S55 PolarHBondContact O-N 3.46Å; P51-S55 VanDerWaalsContact O-N 3.09Å; P51-S55 PolarHBondContact O-OG 3.43Å; P51-L398 HydrophobicContact CB-CD1 4.34Å; P51-T401 HydrophobicContact CB-CG2 3.78Å; P51-T401 HydrophobicContact CG-CG2 4.45Å; P51-Y402 HydrophobicContact CB-CD1 4.12Å; P51-Y402 HydrophobicContact CB-CD2 3.77Å; P51-Y402 HydrophobicContact CB-CE1 3.99Å; P51-Y402 HydrophobicContact CB-CE2 3.66Å; P51-Y402 HydrophobicContact CB-CG 3.99Å; P51-Y402 HydrophobicContact CG-CD1 3.74Å; P51-Y402 HydrophobicContact CG-CD2 4.32Å; P51-Y402 HydrophobicContact CG-CE1 3.58Å; P51-Y402 HydrophobicContact CG-CE2 4.2Å; P51-Y402 HydrophobicContact CG-CG 4.09Å; P51-M405 HydrophobicContact CG-CE 3.78Å; P51-M405 HydrophobicContact CG-SD 3.82Å; P51-T588 HydrophobicContact CG-CG2 4.39Å
52I91.4Very high89.8Confident55 Ų5537 Ų3728%0.28220%0.197SC..Hα-helixtrans-65.4-48175-59.6171.9000109.6W49 A50 D54 S55 I56 W67 L398W49-I52 HydrophobicContact CB-CD1 4.2Å; W49-I52 WeakPolarHBondContact O-CA 3.28Å; W49-I52 VanDerWaalsContact O-CB 3.23Å; W49-I52 WeakPolarHBondContact O-CB 3.48Å; W49-I52 PolarHBondContact O-N 2.71Å; A50-I52 PolarHBondContact O-N 3.11Å; I52-D54 VanDerWaalsContact C-N 3.28Å; I52-D54 PolarHBondContact O-N 2.89Å; I52-S55 PolarHBondContact O-N 2.72Å; I52-I56 HydrophobicContact CG2-CD1 3.86Å; I52-I56 HydrophobicContact CG2-CG1 4.25Å; I52-I56 WeakPolarHBondContact O-CB 3.38Å; I52-I56 PolarHBondContact O-N 2.85Å; I52-W67 HydrophobicContact CG2-CZ2 4.3Å; I52-L398 HydrophobicContact CB-CD1 4.37Å; I52-L398 HydrophobicContact CG1-CD1 3.88Å
53I91.5Very high89.5Confident6 Ų638.4 Ų38.43%0.03120%0.202CC..Hα-helixtrans-62.7-37.1179.4-54.7-52.6000111.3W49 A50 W67 T125 I128 A129W49-I53 PolarHBondContact O-N 3.49Å; A50-I53 PolarHBondContact O-N 3.47Å; A50-I53 VanDerWaalsContact O-N 3.11Å; I53-W67 HydrophobicContact CB-CG 4.49Å; I53-W67 HydrophobicContact CD1-CD2 3.41Å; I53-W67 VanDerWaalsContact CD1-CD2 3.41Å; I53-W67 HydrophobicContact CD1-CE3 3.47Å; I53-W67 VanDerWaalsContact CD1-CE3 3.47Å; I53-W67 HydrophobicContact CD1-CG 4Å; I53-W67 HydrophobicContact CD1-CH2 3.85Å; I53-W67 HydrophobicContact CD1-CZ2 3.8Å; I53-W67 HydrophobicContact CD1-CZ3 3.69Å; I53-W67 HydrophobicContact CG2-CB 3.93Å; I53-W67 HydrophobicContact CG2-CD2 4.35Å; I53-W67 HydrophobicContact CG2-CG 3.75Å; I53-W67 VanDerWaalsContact O-CD1 3.29Å; I53-W67 PolarHBondContact O-NE1 3.37Å; I53-T125 HydrophobicContact CD1-CG2 3.54Å; I53-T125 HydrophobicContact CG1-CG2 4.01Å; I53-I128 HydrophobicContact CB-CG2 3.96Å; I53-I128 HydrophobicContact CG1-CD1 4.17Å; I53-I128 HydrophobicContact CG2-CB 4.2Å; I53-I128 HydrophobicContact CG2-CG2 3.82Å; I53-A129 HydrophobicContact CG2-CB 4.47Å
54D85.7Confident89.4Confident1 Ų138.2 Ų38.21%0.00520%0.201CC..Hα-helixtrans-78.9-25.5-178-83.4-42.7000114.9A50 I52 R63 R64 T401 T588A50-D54 PolarHBondContact O-N 2.91Å; I52-D54 VanDerWaalsContact C-N 3.28Å; I52-D54 PolarHBondContact O-N 2.89Å; D54-R63 PolarHBondContact O-NE 2.95Å; D54-R63 VanDerWaalsContact O-NE 3.07Å; D54-R63 PolarHBondContact O-NH2 2.7Å; D54-R63 IonicContact OD1-NH2 2.88Å; D54-R64 IonicContact OD1-CZ 3.48Å; D54-R64 IonicContact OD1-NH1 3.08Å; D54-R64 PolarHBondContact OD1-NH1 3.12Å; D54-T401 HydrophobicContact CB-CG2 4.44Å; D54-T588 VanDerWaalsContact CG-OG1 3.29Å; D54-T588 WeakPolarHBondContact OD2-CA 3.32Å; D54-T588 WeakPolarHBondContact OD2-CB 3.47Å; D54-T588 PolarHBondContact OD2-N 2.86Å; D54-T588 VanDerWaalsContact OD2-N 3.11Å; D54-T588 PolarHBondContact OD2-OG1 3.06Å
55S87.2Confident89.6Confident17 Ų1738.1 Ų38.112%0.11920%0.2CC..Hα-helixtrans-111.1-30.5-172.763.40000114.8P51 I52 Y57 L398P51-S55 WeakPolarHBondContact O-CB 3.44Å; P51-S55 PolarHBondContact O-N 3.46Å; P51-S55 VanDerWaalsContact O-N 3.09Å; P51-S55 PolarHBondContact O-OG 3.43Å; I52-S55 PolarHBondContact O-N 2.72Å; S55-Y57 WeakPolarHBondContact O-CD1 3.32Å; S55-L398 WeakPolarHBondContact OG-CA 3.38Å; S55-L398 WeakPolarHBondContact OG-CB 3.08Å; S55-L398 WeakPolarHBondContact OG-CD1 3.49Å
56I89.9Confident89.8Confident91 Ų9134.5 Ų34.547%0.46719%0.186SC..  trans-93.3107.6177.1-55-169.1000107.9I52 W67I52-I56 HydrophobicContact CG2-CD1 3.86Å; I52-I56 HydrophobicContact CG2-CG1 4.25Å; I52-I56 WeakPolarHBondContact O-CB 3.38Å; I52-I56 PolarHBondContact O-N 2.85Å; I56-W67 PolarHBondContact O-NE1 3.12Å
57Y90.9Very high89.9Confident85 Ų8538 Ų3833%0.33320%0.199SC..  trans-148.6161175.863.5-85.7000111.8S55 T59 R63S55-Y57 WeakPolarHBondContact O-CD1 3.32Å; Y57-T59 HydrophobicContact CE2-CG2 4.08Å; Y57-R63 HydrophobicContact CD1-CB 4.35Å; Y57-R63 HydrophobicContact CD1-CG 3.82Å; Y57-R63 HydrophobicContact CD2-CB 3.82Å; Y57-R63 HydrophobicContact CD2-CG 4.21Å; Y57-R63 HydrophobicContact CE1-CG 4.13Å; Y57-R63 HydrophobicContact CE2-CB 4.08Å; Y57-R63 HydrophobicContact CE2-CG 4.48Å; Y57-R63 HydrophobicContact CG-CB 3.97Å; Y57-R63 HydrophobicContact CG-CG 3.88Å
58S89.2Confident90.1Very high45 Ų4535.7 Ų35.732%0.31519%0.187SC..  trans-91.5122.4173.1179.10000109.9H60 I61 G62 T66S58-H60 PolarHBondContact O-N 2.79Å; S58-H60 WeakPolarHBondContact OG-CB 3.46Å; S58-H60 PolarHBondContact OG-N 3.24Å; S58-I61 PolarHBondContact O-N 3.18Å; S58-G62 PolarHBondContact O-N 3.42Å; S58-T66 PolarHBondContact N-OG1 2.04Å; S58-T66 PolarHBondContact O-OG1 2.94Å
59T84.9Confident90.4Very high90 Ų9034.1 Ų34.155%0.55217%0.171SC*.THydrogen-bonded Turntrans-64.4-19.1172.256.30000112.4Y57 K219Y57-T59 HydrophobicContact CE2-CG2 4.08Å; T59-K219 PolarHBondContact O-N 2.7Å
60H85.9Confident90.5Very high73 Ų7335.8 Ų35.834%0.33819%0.186SC..THydrogen-bonded Turntrans-69.2-49.9174.1-174.8-90.8000111.5S58 K219 L220S58-H60 PolarHBondContact O-N 2.79Å; S58-H60 WeakPolarHBondContact OG-CB 3.46Å; S58-H60 PolarHBondContact OG-N 3.24Å; H60-K219 PolarHBondContact O-N 3.47Å; H60-L220 WeakPolarHBondContact O-CB 3.42Å; H60-L220 PolarHBondContact O-N 2.89Å
61I87.9Confident90.8Very high55 Ų5536 Ų3628%0.28219%0.188SC..THydrogen-bonded Turntrans-83.3-30.9-174.3-64172.9000111.7S58 K65 I69S58-I61 PolarHBondContact O-N 3.18Å; I61-K65 HydrophobicContact CG2-CB 3.57Å; I61-K65 WeakPolarHBondContact O-CD 3.07Å; I61-I69 HydrophobicContact CG2-CD1 4.14Å
62G88.4Confident91.2Very high4 Ų436.1 Ų36.14%0.04119%0.188CC..  trans108.2153.1-170.900000111.3S58 T66 E215S58-G62 PolarHBondContact O-N 3.42Å; G62-T66 WeakPolarHBondContact O-CB 3.27Å; G62-T66 PolarHBondContact O-N 2.88Å; G62-T66 PolarHBondContact O-OG1 2.95Å; G62-E215 WeakPolarHBondContact CA-OE2 3.44Å
63R87.3Confident91.5Very high33 Ų3336.8 Ų36.813%0.12519%0.188CC..THydrogen-bonded Turntrans-61.6-50.5-172.7179.8179.3175.7-176.63.5111.7D54 Y57 E215 E393D54-R63 PolarHBondContact O-NE 2.95Å; D54-R63 VanDerWaalsContact O-NE 3.07Å; D54-R63 PolarHBondContact O-NH2 2.7Å; D54-R63 IonicContact OD1-NH2 2.88Å; Y57-R63 HydrophobicContact CD1-CB 4.35Å; Y57-R63 HydrophobicContact CD1-CG 3.82Å; Y57-R63 HydrophobicContact CD2-CB 3.82Å; Y57-R63 HydrophobicContact CD2-CG 4.21Å; Y57-R63 HydrophobicContact CE1-CG 4.13Å; Y57-R63 HydrophobicContact CE2-CB 4.08Å; Y57-R63 HydrophobicContact CE2-CG 4.48Å; Y57-R63 HydrophobicContact CG-CB 3.97Å; Y57-R63 HydrophobicContact CG-CG 3.88Å; R63-E215 PolarHBondContact N-OE1 2.91Å; R63-E393 IonicContact CZ-OE2 3.62Å; R63-E393 IonicContact NH1-OE1 3.73Å; R63-E393 IonicContact NH1-OE2 2.67Å; R63-E393 PolarHBondContact NH1-OE2 3.01Å
64R91.3Very high91.8Very high5 Ų538 Ų382%0.01920%0.199CC..THydrogen-bonded Turntrans-80.1-41.5-175.4-53.9-57.7175.3-173.1-0111.3D54 T66 W67 L68 W133 E215 E393D54-R64 IonicContact OD1-CZ 3.48Å; D54-R64 IonicContact OD1-NH1 3.08Å; D54-R64 PolarHBondContact OD1-NH1 3.12Å; R64-T66 VanDerWaalsContact C-N 3.26Å; R64-T66 PolarHBondContact O-N 2.76Å; R64-W67 PolarHBondContact O-N 3.32Å; R64-L68 WeakPolarHBondContact O-CB 3.12Å; R64-L68 PolarHBondContact O-N 3.47Å; R64-L68 VanDerWaalsContact O-N 3.11Å; R64-W133 HydrophobicContact CB-CB 4.04Å; R64-W133 HydrophobicContact CB-CD2 4.18Å; R64-W133 HydrophobicContact CB-CG 3.9Å; R64-W133 HydrophobicContact CG-CB 3.85Å; R64-W133 HydrophobicContact CG-CG 3.87Å; R64-E215 PolarHBondContact N-OE1 3.46Å; R64-E215 PolarHBondContact N-OE2 3.18Å; R64-E393 IonicContact NH2-OE1 2.68Å; R64-E393 PolarHBondContact NH2-OE1 2.85Å; R64-E393 IonicContact NH2-OE2 2.88Å; R64-E393 PolarHBondContact NH2-OE2 3.19Å
65K92.6Very high92.4Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-60.4-32177-78.4-179.1171.9-173.30113.9I61 W67 L68 I69 L209 K213 E215 D221I61-K65 HydrophobicContact CG2-CB 3.57Å; I61-K65 WeakPolarHBondContact O-CD 3.07Å; K65-W67 PolarHBondContact O-N 3.36Å; K65-L68 PolarHBondContact O-N 3.44Å; K65-I69 HydrophobicContact CB-CD1 3.86Å; K65-I69 HydrophobicContact CB-CG1 4.4Å; K65-I69 HydrophobicContact CD-CD1 4.32Å; K65-I69 HydrophobicContact CG-CD1 4.17Å; K65-I69 WeakPolarHBondContact O-CG1 3.26Å; K65-I69 PolarHBondContact O-N 3.39Å; K65-I69 VanDerWaalsContact O-N 3.07Å; K65-L209 HydrophobicContact CG-CD2 4.45Å; K65-K213 WeakPolarHBondContact CE-O 3.45Å; K65-K213 PolarHBondContact NZ-O 3.3Å; K65-E215 HydrophobicContact CD-CB 4.33Å; K65-E215 PolarHBondContact N-OE2 3.22Å; K65-E215 VanDerWaalsContact N-OE2 3.13Å; K65-D221 IonicContact NZ-OD1 3.58Å; K65-D221 PolarHBondContact NZ-OD1 3.3Å; K65-D221 IonicContact NZ-OD2 2.7Å; K65-D221 PolarHBondContact NZ-OD2 3.5Å
66T94.4Very high93Very high23 Ų2337.2 Ų37.214%0.14119%0.193CC..Hα-helixtrans-53.9-38.8-179-66.80000112.5S58 G62 R64 P70S58-T66 PolarHBondContact N-OG1 2.04Å; S58-T66 PolarHBondContact O-OG1 2.94Å; G62-T66 WeakPolarHBondContact O-CB 3.27Å; G62-T66 PolarHBondContact O-N 2.88Å; G62-T66 PolarHBondContact O-OG1 2.95Å; R64-T66 VanDerWaalsContact C-N 3.26Å; R64-T66 PolarHBondContact O-N 2.76Å; T66-P70 WeakPolarHBondContact O-CD 3.36Å; T66-P70 WeakPolarHBondContact O-CG 3.37Å
67W94.7Very high93.4Very high73 Ų7337.1 Ų37.128%0.27719%0.193SC..Hα-helixtrans-100.5-31178.8-71.3101.9000113.3I52 I53 I56 R64 K65 T71 T125 A129I52-W67 HydrophobicContact CG2-CZ2 4.3Å; I53-W67 HydrophobicContact CB-CG 4.49Å; I53-W67 HydrophobicContact CD1-CD2 3.41Å; I53-W67 VanDerWaalsContact CD1-CD2 3.41Å; I53-W67 HydrophobicContact CD1-CE3 3.47Å; I53-W67 VanDerWaalsContact CD1-CE3 3.47Å; I53-W67 HydrophobicContact CD1-CG 4Å; I53-W67 HydrophobicContact CD1-CH2 3.85Å; I53-W67 HydrophobicContact CD1-CZ2 3.8Å; I53-W67 HydrophobicContact CD1-CZ3 3.69Å; I53-W67 HydrophobicContact CG2-CB 3.93Å; I53-W67 HydrophobicContact CG2-CD2 4.35Å; I53-W67 HydrophobicContact CG2-CG 3.75Å; I53-W67 VanDerWaalsContact O-CD1 3.29Å; I53-W67 PolarHBondContact O-NE1 3.37Å; I56-W67 PolarHBondContact O-NE1 3.12Å; R64-W67 PolarHBondContact O-N 3.32Å; K65-W67 PolarHBondContact O-N 3.36Å; W67-T71 WeakPolarHBondContact O-CB 3.35Å; W67-T71 WeakPolarHBondContact O-CG2 3.28Å; W67-T71 PolarHBondContact O-N 3.38Å; W67-T71 PolarHBondContact O-OG1 2.94Å; W67-T125 HydrophobicContact CE3-CG2 4.35Å; W67-A129 HydrophobicContact CB-CB 4.33Å
68L94.9Very high93.7Very high0 Ų034.8 Ų34.80%019%0.185CC..Hα-helixtrans-63.6-46-179.7-176.761.1000112.3L3 R64 K65 T71 Q72 Q126 A129 V130 W133 L209L3-L68 HydrophobicContact CD1-CD2 3.83Å; L3-L68 HydrophobicContact CD2-CD1 4.23Å; L3-L68 HydrophobicContact CD2-CD2 4.16Å; R64-L68 WeakPolarHBondContact O-CB 3.12Å; R64-L68 PolarHBondContact O-N 3.47Å; R64-L68 VanDerWaalsContact O-N 3.11Å; K65-L68 PolarHBondContact O-N 3.44Å; L68-T71 PolarHBondContact O-OG1 3.01Å; L68-T71 VanDerWaalsContact O-OG1 3.12Å; L68-Q72 VanDerWaalsContact O-CB 3.25Å; L68-Q72 WeakPolarHBondContact O-CB 3.23Å; L68-Q72 PolarHBondContact O-N 3.43Å; L68-Q126 HydrophobicContact CD1-CG 3.55Å; L68-A129 HydrophobicContact CB-CB 4.44Å; L68-V130 HydrophobicContact CD1-CG2 3.64Å; L68-W133 HydrophobicContact CD2-CE3 3.74Å; L68-W133 HydrophobicContact CD2-CH2 4.41Å; L68-W133 HydrophobicContact CD2-CZ3 3.4Å; L68-L209 HydrophobicContact CD2-CD1 3.68Å; L68-L209 HydrophobicContact CD2-CD2 4.21Å; L68-L209 HydrophobicContact CG-CD1 4.46Å
69I95.7Very high94.2Very high22 Ų2232.7 Ų32.711%0.11317%0.17CC..Hα-helixtrans-66.5-51-175.9-62.1166.9000111.2I61 K65 Y73 N206 L209 V210I61-I69 HydrophobicContact CG2-CD1 4.14Å; K65-I69 HydrophobicContact CB-CD1 3.86Å; K65-I69 HydrophobicContact CB-CG1 4.4Å; K65-I69 HydrophobicContact CD-CD1 4.32Å; K65-I69 HydrophobicContact CG-CD1 4.17Å; K65-I69 WeakPolarHBondContact O-CG1 3.26Å; K65-I69 PolarHBondContact O-N 3.39Å; K65-I69 VanDerWaalsContact O-N 3.07Å; I69-Y73 HydrophobicContact CG2-CD2 3.86Å; I69-Y73 HydrophobicContact CG2-CE2 3.66Å; I69-Y73 WeakPolarHBondContact O-CD2 3.34Å; I69-Y73 PolarHBondContact O-N 2.91Å; I69-N206 PolarHBondContact O-ND2 3.12Å; I69-L209 HydrophobicContact CG1-CD2 4.19Å; I69-V210 HydrophobicContact CB-CG2 4.49Å; I69-V210 HydrophobicContact CD1-CB 4.49Å; I69-V210 HydrophobicContact CD1-CG2 3.56Å; I69-V210 HydrophobicContact CG1-CG2 3.8Å; I69-V210 HydrophobicContact CG2-CG2 3.86Å
70P96.9Very high94.8Very high72 Ų7230.9 Ų30.947%0.46816%0.157SC..Hα-helixtrans-65.4-41.1180-23.836.9000113T66 Q72 Y73 A74T66-P70 WeakPolarHBondContact O-CD 3.36Å; T66-P70 WeakPolarHBondContact O-CG 3.37Å; P70-Q72 PolarHBondContact O-N 2.96Å; P70-Y73 PolarHBondContact O-N 3.13Å; P70-A74 WeakPolarHBondContact O-CB 3.39Å; P70-A74 PolarHBondContact O-N 3.16Å
71T97.6Very high95.4Very high7 Ų731.6 Ų31.64%0.04316%0.162CC..Hα-helixtrans-65.2-40.9-179.953.60000111.8W67 L68 A74 I75 T125W67-T71 WeakPolarHBondContact O-CB 3.35Å; W67-T71 WeakPolarHBondContact O-CG2 3.28Å; W67-T71 PolarHBondContact O-N 3.38Å; W67-T71 PolarHBondContact O-OG1 2.94Å; L68-T71 PolarHBondContact O-OG1 3.01Å; L68-T71 VanDerWaalsContact O-OG1 3.12Å; T71-A74 PolarHBondContact O-N 3.41Å; T71-I75 VanDerWaalsContact O-CG1 3.27Å; T71-I75 WeakPolarHBondContact O-CG1 3.23Å; T71-I75 PolarHBondContact O-N 3.11Å; T71-T125 HydrophobicContact CG2-CG2 3.66Å
72Q96.9Very high95.9Very high1 Ų129.1 Ų29.11%0.00515%0.149CC..Hα-helixtrans-68.2-36.8179.3-165.2169.8-40.200112.4L6 L68 P70 G76 Q126 F202 T205 N206L6-Q72 VanDerWaalsContact CD1-NE2 3.32Å; L68-Q72 VanDerWaalsContact O-CB 3.25Å; L68-Q72 WeakPolarHBondContact O-CB 3.23Å; L68-Q72 PolarHBondContact O-N 3.43Å; P70-Q72 PolarHBondContact O-N 2.96Å; Q72-G76 PolarHBondContact O-N 3.31Å; Q72-G76 VanDerWaalsContact O-N 3.12Å; Q72-Q126 VanDerWaalsContact OE1-NE2 3.1Å; Q72-F202 HydrophobicContact CG-CD1 3.6Å; Q72-F202 HydrophobicContact CG-CE1 4.23Å; Q72-T205 PolarHBondContact NE2-OG1 2.98Å; Q72-T205 VanDerWaalsContact NE2-OG1 3.11Å; Q72-N206 HydrophobicContact CB-CB 4.23Å; Q72-N206 HydrophobicContact CG-CB 3.93Å
73Y98.4Very high96.3Very high69 Ų6929 Ų2927%0.27115%0.148SC..Hα-helixtrans-66.4-43.7169.1-76.2-46.8000111.8I69 P70 I75 G76 I77 M203 N206 T207I69-Y73 HydrophobicContact CG2-CD2 3.86Å; I69-Y73 HydrophobicContact CG2-CE2 3.66Å; I69-Y73 WeakPolarHBondContact O-CD2 3.34Å; I69-Y73 PolarHBondContact O-N 2.91Å; P70-Y73 PolarHBondContact O-N 3.13Å; Y73-I75 VanDerWaalsContact C-N 3.31Å; Y73-I75 PolarHBondContact O-N 3.49Å; Y73-G76 PolarHBondContact O-N 3.23Å; Y73-G76 VanDerWaalsContact O-N 3.13Å; Y73-I77 WeakPolarHBondContact O-CG1 3.33Å; Y73-I77 PolarHBondContact O-N 3.31Å; Y73-M203 HydrophobicContact CD1-CE 3.75Å; Y73-M203 HydrophobicContact CD1-SD 3.46Å; Y73-M203 WeakPolarHBondContact CD1-SD 3.44Å; Y73-M203 HydrophobicContact CE1-SD 4Å; Y73-M203 HydrophobicContact CG-CE 4.43Å; Y73-M203 WeakPolarHBondContact O-CE 3.28Å; Y73-N206 HydrophobicContact CD1-CB 4.21Å; Y73-N206 WeakPolarHBondContact CD1-ND2 3.44Å; Y73-N206 WeakPolarHBondContact CD2-ND2 3.44Å; Y73-N206 HydrophobicContact CE1-CB 3.92Å; Y73-N206 WeakPolarHBondContact CE1-ND2 3.33Å; Y73-N206 WeakPolarHBondContact CE2-ND2 3.33Å; Y73-T207 PolarHBondContact OH-OG1 3.28Å
74A98.2Very high96.8Very high33 Ų3332 Ų3227%0.27317%0.167SC..Hα-helixtrans-59.1-42.5177.800000111.7P70 T71 G76 I77 E78 L122P70-A74 WeakPolarHBondContact O-CB 3.39Å; P70-A74 PolarHBondContact O-N 3.16Å; T71-A74 PolarHBondContact O-N 3.41Å; A74-G76 PolarHBondContact O-N 2.89Å; A74-I77 PolarHBondContact O-N 3.24Å; A74-E78 WeakPolarHBondContact O-CB 3.19Å; A74-E78 PolarHBondContact O-N 3.33Å; A74-L122 HydrophobicContact CB-CD1 3.59Å; A74-L122 HydrophobicContact CB-CD2 3.94Å; A74-L122 HydrophobicContact CB-CG 4.41Å
75I98.5Very high97Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-59.1-48.4173.9-68.9165000110.6P10 T71 Y73 I77 E78 L79 L119 L122 A123 Q126 F202P10-I75 HydrophobicContact CG-CG2 4.18Å; T71-I75 VanDerWaalsContact O-CG1 3.27Å; T71-I75 WeakPolarHBondContact O-CG1 3.23Å; T71-I75 PolarHBondContact O-N 3.11Å; Y73-I75 VanDerWaalsContact C-N 3.31Å; Y73-I75 PolarHBondContact O-N 3.49Å; I75-I77 VanDerWaalsContact C-N 3.35Å; I75-I77 PolarHBondContact O-N 2.85Å; I75-E78 PolarHBondContact O-N 3.15Å; I75-L79 HydrophobicContact CG2-CD1 4.01Å; I75-L79 HydrophobicContact CG2-CG 4.38Å; I75-L79 VanDerWaalsContact O-CG 3.28Å; I75-L79 WeakPolarHBondContact O-CG 3.27Å; I75-L79 PolarHBondContact O-N 3.2Å; I75-L119 HydrophobicContact CG2-CD1 3.85Å; I75-L122 HydrophobicContact CD1-CB 4.19Å; I75-L122 HydrophobicContact CG1-CB 3.55Å; I75-L122 HydrophobicContact CG1-CD1 4.15Å; I75-A123 HydrophobicContact CD1-CB 4.38Å; I75-Q126 HydrophobicContact CD1-CB 4.37Å; I75-F202 HydrophobicContact CB-CD1 3.95Å; I75-F202 HydrophobicContact CB-CE1 4.02Å; I75-F202 HydrophobicContact CD1-CE1 4.08Å; I75-F202 HydrophobicContact CG2-CD1 3.55Å; I75-F202 HydrophobicContact CG2-CD2 4.44Å; I75-F202 HydrophobicContact CG2-CE1 3.39Å; I75-F202 HydrophobicContact CG2-CE2 4.28Å; I75-F202 HydrophobicContact CG2-CG 4.1Å; I75-F202 HydrophobicContact CG2-CZ 3.75Å
76G98.4Very high97.2Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-63.3-39.5-179.400000113Q72 Y73 A74 L79 I80 G199 M203Q72-G76 PolarHBondContact O-N 3.31Å; Q72-G76 VanDerWaalsContact O-N 3.12Å; Y73-G76 PolarHBondContact O-N 3.23Å; Y73-G76 VanDerWaalsContact O-N 3.13Å; A74-G76 PolarHBondContact O-N 2.89Å; G76-L79 PolarHBondContact O-N 3.44Å; G76-I80 VanDerWaalsContact O-CG1 3.32Å; G76-I80 WeakPolarHBondContact O-CG1 3.15Å; G76-I80 PolarHBondContact O-N 3.49Å; G76-I80 VanDerWaalsContact O-N 3.16Å; G76-G199 WeakPolarHBondContact O-CA 3.22Å; G76-M203 VanDerWaalsContact CA-CE 3.5Å
77I98.4Very high97.2Very high89 Ų8938.3 Ų38.346%0.45619%0.191SC..Hα-helixtrans-65.5-45.8175.9-70.5163.1000110.1Y73 A74 I75 L79 I80 I81 M203Y73-I77 WeakPolarHBondContact O-CG1 3.33Å; Y73-I77 PolarHBondContact O-N 3.31Å; A74-I77 PolarHBondContact O-N 3.24Å; I75-I77 VanDerWaalsContact C-N 3.35Å; I75-I77 PolarHBondContact O-N 2.85Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.21Å; I77-I80 WeakPolarHBondContact O-CB 3.24Å; I77-I80 PolarHBondContact O-N 3.26Å; I77-I80 VanDerWaalsContact O-N 3.15Å; I77-I81 HydrophobicContact CG2-CD1 3.82Å; I77-I81 HydrophobicContact CG2-CG1 4.4Å; I77-I81 WeakPolarHBondContact O-CG1 3.46Å; I77-I81 PolarHBondContact O-N 3.03Å; I77-M203 HydrophobicContact CD1-CE 4.48Å; I77-M203 HydrophobicContact CG1-CE 3.76Å
78E98.1Very high97.2Very high37 Ų3737.8 Ų37.817%0.17320%0.199CC..Hα-helixtrans-62.3-39.8179-175167-165.400111.9A74 I75 I80 I81 L82 L119 L122A74-E78 WeakPolarHBondContact O-CB 3.19Å; A74-E78 PolarHBondContact O-N 3.33Å; I75-E78 PolarHBondContact O-N 3.15Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 3.34Å; E78-I81 PolarHBondContact O-N 3.21Å; E78-L82 HydrophobicContact CG-CD1 4.16Å; E78-L82 HydrophobicContact CG-CG 4.37Å; E78-L82 VanDerWaalsContact O-CB 3.3Å; E78-L82 WeakPolarHBondContact O-CB 3.43Å; E78-L82 VanDerWaalsContact O-CG 3.26Å; E78-L82 WeakPolarHBondContact O-CG 3.22Å; E78-L82 PolarHBondContact O-N 3.44Å; E78-L119 VanDerWaalsContact CD-N 3.31Å; E78-L119 HydrophobicContact CG-CB 4.5Å; E78-L119 HydrophobicContact CG-CD1 4.45Å; E78-L119 PolarHBondContact OE1-N 3.38Å; E78-L119 WeakPolarHBondContact OE2-CA 3.46Å; E78-L119 PolarHBondContact OE2-N 2.99Å; E78-L119 VanDerWaalsContact OE2-N 3.15Å; E78-L122 WeakPolarHBondContact OE2-CD1 3.25Å
79L98.4Very high97.2Very high0 Ų039.5 Ų39.50%021%0.205CC..Hα-helixtrans-61.4-39.8173.4-71.1173.2000112.5L13 I75 G76 I77 L82 A83 L119 L195 W198 F202L13-L79 HydrophobicContact CD1-CD2 3.48Å; L13-L79 VanDerWaalsContact CD1-CD2 3.48Å; I75-L79 HydrophobicContact CG2-CD1 4.01Å; I75-L79 HydrophobicContact CG2-CG 4.38Å; I75-L79 VanDerWaalsContact O-CG 3.28Å; I75-L79 WeakPolarHBondContact O-CG 3.27Å; I75-L79 PolarHBondContact O-N 3.2Å; G76-L79 PolarHBondContact O-N 3.44Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.21Å; L79-L82 HydrophobicContact CD2-CD1 4.45Å; L79-A83 WeakPolarHBondContact O-CB 3.16Å; L79-A83 PolarHBondContact O-N 3.28Å; L79-L119 HydrophobicContact CD2-CD1 3.93Å; L79-L119 HydrophobicContact CD2-CD2 3.9Å; L79-L119 HydrophobicContact CG-CD1 4.03Å; L79-L195 HydrophobicContact CD2-CD2 3.77Å; L79-W198 HydrophobicContact CD1-CB 3.94Å; L79-F202 HydrophobicContact CD1-CD2 4.01Å; L79-F202 HydrophobicContact CD1-CE2 4.17Å
80I98.4Very high97Very high53 Ų5338.4 Ų38.427%0.27220%0.2SC..Hα-helixtrans-66-42.4175.2-68.5167.7000110.5G76 I77 E78 A83 N84 Y196G76-I80 VanDerWaalsContact O-CG1 3.32Å; G76-I80 WeakPolarHBondContact O-CG1 3.15Å; G76-I80 PolarHBondContact O-N 3.49Å; G76-I80 VanDerWaalsContact O-N 3.16Å; I77-I80 WeakPolarHBondContact O-CB 3.24Å; I77-I80 PolarHBondContact O-N 3.26Å; I77-I80 VanDerWaalsContact O-N 3.15Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 3.34Å; I80-A83 WeakPolarHBondContact O-CB 3.39Å; I80-A83 PolarHBondContact O-N 3.1Å; I80-N84 PolarHBondContact O-ND2 3.27Å; I80-Y196 HydrophobicContact CB-CD1 4.47Å; I80-Y196 HydrophobicContact CG1-CD1 4.35Å; I80-Y196 HydrophobicContact CG2-CD1 4.14Å; I80-Y196 HydrophobicContact CG2-CE1 3.9Å
81I98.1Very high96.7Very high87 Ų8735 Ų3545%0.44618%0.178SC..Hα-helixtrans-62.6-50.8175.6-67.8169.2000109.9I77 E78 A83 N84 Y85I77-I81 HydrophobicContact CG2-CD1 3.82Å; I77-I81 HydrophobicContact CG2-CG1 4.4Å; I77-I81 WeakPolarHBondContact O-CG1 3.46Å; I77-I81 PolarHBondContact O-N 3.03Å; E78-I81 PolarHBondContact O-N 3.21Å; I81-A83 PolarHBondContact O-N 3.19Å; I81-N84 WeakPolarHBondContact O-CB 3.49Å; I81-N84 PolarHBondContact O-N 3.42Å; I81-Y85 HydrophobicContact CG2-CD2 4.09Å; I81-Y85 HydrophobicContact CG2-CE2 4.07Å; I81-Y85 VanDerWaalsContact O-CD2 3.28Å; I81-Y85 WeakPolarHBondContact O-CD2 3.5Å
82L97.7Very high96.4Very high3 Ų334.9 Ų34.92%0.01618%0.177CC..Hα-helixtrans-53.3-42.1176.4-79172000111.8E78 L79 N84 Y85 I86 W89 A115 F116 L119 L195E78-L82 HydrophobicContact CG-CD1 4.16Å; E78-L82 HydrophobicContact CG-CG 4.37Å; E78-L82 VanDerWaalsContact O-CB 3.3Å; E78-L82 WeakPolarHBondContact O-CB 3.43Å; E78-L82 VanDerWaalsContact O-CG 3.26Å; E78-L82 WeakPolarHBondContact O-CG 3.22Å; E78-L82 PolarHBondContact O-N 3.44Å; L79-L82 HydrophobicContact CD2-CD1 4.45Å; L82-N84 PolarHBondContact O-N 2.8Å; L82-N84 VanDerWaalsContact O-N 3.17Å; L82-Y85 PolarHBondContact O-N 3.38Å; L82-I86 VanDerWaalsContact O-CB 3.3Å; L82-I86 WeakPolarHBondContact O-CB 3.43Å; L82-I86 PolarHBondContact O-N 3Å; L82-W89 HydrophobicContact CD2-CH2 4.27Å; L82-W89 HydrophobicContact CD2-CZ3 3.61Å; L82-A115 HydrophobicContact CD2-CB 3.51Å; L82-F116 HydrophobicContact CD2-CE2 4.46Å; L82-L119 HydrophobicContact CD1-CD2 4.03Å; L82-L195 HydrophobicContact CB-CD1 4.03Å
83A97.7Very high96.1Very high1 Ų138 Ų381%0.00819%0.193CC..Hα-helixtrans-56.4-32.9178.900000113.2L79 I80 I81 S192 L195 Y196L79-A83 WeakPolarHBondContact O-CB 3.16Å; L79-A83 PolarHBondContact O-N 3.28Å; I80-A83 WeakPolarHBondContact O-CB 3.39Å; I80-A83 PolarHBondContact O-N 3.1Å; I81-A83 PolarHBondContact O-N 3.19Å; A83-S192 WeakPolarHBondContact CB-O 3.47Å; A83-S192 WeakPolarHBondContact O-CB 3.25Å; A83-S192 PolarHBondContact O-OG 3.14Å; A83-L195 HydrophobicContact CB-CB 3.73Å; A83-Y196 HydrophobicContact CB-CD1 3.78Å; A83-Y196 HydrophobicContact CB-CD2 3.5Å; A83-Y196 VanDerWaalsContact CB-CD2 3.5Å; A83-Y196 HydrophobicContact CB-CE1 3.78Å; A83-Y196 HydrophobicContact CB-CE2 3.49Å; A83-Y196 VanDerWaalsContact CB-CE2 3.49Å; A83-Y196 HydrophobicContact CB-CG 3.64Å
84N96.9Very high95.7Very high97 Ų9739.4 Ų39.452%0.51921%0.211SC..Hα-helixtrans-74.1-30.7178-67.9-76.8000113.1I80 I81 L82 Y196I80-N84 PolarHBondContact O-ND2 3.27Å; I81-N84 WeakPolarHBondContact O-CB 3.49Å; I81-N84 PolarHBondContact O-N 3.42Å; L82-N84 PolarHBondContact O-N 2.8Å; L82-N84 VanDerWaalsContact O-N 3.17Å; N84-Y196 PolarHBondContact ND2-OH 2.93Å; N84-Y196 PolarHBondContact OD1-OH 3.02Å
85Y96.6Very high95.4Very high123 Ų12345 Ų4548%0.48224%0.236SC..Hα-helixtrans-108.5-17.8-170.4-64.6-74.7000114.5I81 L82 N87 S88 W89I81-Y85 HydrophobicContact CG2-CD2 4.09Å; I81-Y85 HydrophobicContact CG2-CE2 4.07Å; I81-Y85 VanDerWaalsContact O-CD2 3.28Å; I81-Y85 WeakPolarHBondContact O-CD2 3.5Å; L82-Y85 PolarHBondContact O-N 3.38Å; Y85-N87 VanDerWaalsContact C-N 3.32Å; Y85-N87 PolarHBondContact O-N 2.89Å; Y85-S88 WeakPolarHBondContact O-CB 3.4Å; Y85-S88 PolarHBondContact O-N 2.84Å; Y85-W89 HydrophobicContact CD2-CZ2 4.44Å; Y85-W89 AromaticContact CG-CZ2 3.95Å; Y85-W89 HydrophobicContact CG-CZ2 3.95Å; Y85-W89 PolarHBondContact O-N 2.89Å
86I95.8Very high95Very high0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-58.2-40.4-170.4-166.961.7000113.2L82 S88 W89 L90 L112 F116 F191 L195L82-I86 VanDerWaalsContact O-CB 3.3Å; L82-I86 WeakPolarHBondContact O-CB 3.43Å; L82-I86 PolarHBondContact O-N 3Å; I86-S88 VanDerWaalsContact C-N 3.34Å; I86-S88 PolarHBondContact O-N 3.28Å; I86-W89 PolarHBondContact O-N 2.67Å; I86-L90 HydrophobicContact CD1-CD1 4.31Å; I86-L90 HydrophobicContact CD1-CG 4.45Å; I86-L90 HydrophobicContact CG1-CD1 3.96Å; I86-L90 HydrophobicContact CG1-CG 4.5Å; I86-L90 WeakPolarHBondContact O-CB 3.17Å; I86-L90 VanDerWaalsContact O-CG 3.25Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 3.24Å; I86-L112 HydrophobicContact CD1-CD2 3.53Å; I86-F116 HydrophobicContact CD1-CE2 4.04Å; I86-F191 HydrophobicContact CD1-CD1 4.29Å; I86-F191 HydrophobicContact CD1-CE1 3.74Å; I86-F191 HydrophobicContact CD1-CZ 4.15Å; I86-F191 HydrophobicContact CG1-CD1 3.47Å; I86-F191 VanDerWaalsContact CG1-CD1 3.47Å; I86-F191 HydrophobicContact CG1-CE1 3.43Å; I86-F191 VanDerWaalsContact CG1-CE1 3.43Å; I86-F191 HydrophobicContact CG1-CG 4.06Å; I86-F191 HydrophobicContact CG1-CZ 3.98Å; I86-F191 HydrophobicContact CG2-CG 4.46Å; I86-L195 HydrophobicContact CB-CD1 4.03Å; I86-L195 HydrophobicContact CG1-CD1 4.14Å; I86-L195 HydrophobicContact CG2-CD1 3.94Å
87N94.7Very high94.7Very high37 Ų3749.5 Ų49.520%0.19826%0.262CS..Hα-helixtrans-67.4-37.9-179.9-70.4-33.8000111.5Y85 G91 R92Y85-N87 VanDerWaalsContact C-N 3.32Å; Y85-N87 PolarHBondContact O-N 2.89Å; N87-G91 PolarHBondContact O-N 3.03Å; N87-R92 WeakPolarHBondContact O-CB 3.47Å; N87-R92 PolarHBondContact O-N 3.22Å; N87-R92 PolarHBondContact OD1-NH1 3.5Å
88S94.7Very high94.3Very high62 Ų6247.8 Ų47.843%0.43425%0.25SC..Hα-helixtrans-65.9-50.7175.1172.30000110.3Y85 I86 L90 G91 H105Y85-S88 WeakPolarHBondContact O-CB 3.4Å; Y85-S88 PolarHBondContact O-N 2.84Å; I86-S88 VanDerWaalsContact C-N 3.34Å; I86-S88 PolarHBondContact O-N 3.28Å; S88-L90 VanDerWaalsContact C-N 3.26Å; S88-L90 PolarHBondContact O-N 3.41Å; S88-G91 WeakPolarHBondContact O-CA 3.28Å; S88-G91 PolarHBondContact O-N 3.31Å; S88-H105 PolarHBondContact O-CE1 2.88Å; S88-H105 PolarHBondContact O-NE2 2.85Å
89W94.7Very high93.8Very high36 Ų3646.4 Ų46.414%0.13625%0.245CC..Hα-helixtrans-65.1-28.9-177.8-59.4-21000113.9L82 Y85 I86 G91 D108 R111 L112 A115L82-W89 HydrophobicContact CD2-CH2 4.27Å; L82-W89 HydrophobicContact CD2-CZ3 3.61Å; Y85-W89 HydrophobicContact CD2-CZ2 4.44Å; Y85-W89 AromaticContact CG-CZ2 3.95Å; Y85-W89 HydrophobicContact CG-CZ2 3.95Å; Y85-W89 PolarHBondContact O-N 2.89Å; I86-W89 PolarHBondContact O-N 2.67Å; W89-G91 PolarHBondContact O-N 3.35Å; W89-D108 HydrophobicContact CB-CB 4.46Å; W89-D108 PolarHBondContact O-N 3.27Å; W89-R111 HydrophobicContact CD2-CB 4.07Å; W89-R111 HydrophobicContact CG-CB 4.27Å; W89-L112 HydrophobicContact CB-CD2 4.04Å; W89-L112 HydrophobicContact CB-CG 4.01Å; W89-L112 HydrophobicContact CE3-CD2 4.06Å; W89-A115 HydrophobicContact CH2-CB 3.87Å; W89-A115 HydrophobicContact CZ3-CB 3.55Å
90L92.5Very high93.2Very high0 Ų050.8 Ų50.80%027%0.273CS..THydrogen-bonded Turntrans-75.7-2.3171.6-68.9173000113.7M20 I86 S88 R92 L101 G102 V107 L112 F191M20-L90 HydrophobicContact CE-CD1 4.42Å; I86-L90 HydrophobicContact CD1-CD1 4.31Å; I86-L90 HydrophobicContact CD1-CG 4.45Å; I86-L90 HydrophobicContact CG1-CD1 3.96Å; I86-L90 HydrophobicContact CG1-CG 4.5Å; I86-L90 WeakPolarHBondContact O-CB 3.17Å; I86-L90 VanDerWaalsContact O-CG 3.25Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 3.24Å; S88-L90 VanDerWaalsContact C-N 3.26Å; S88-L90 PolarHBondContact O-N 3.41Å; L90-R92 VanDerWaalsContact C-N 3.31Å; L90-R92 HydrophobicContact CB-CG 4.27Å; L90-R92 PolarHBondContact O-N 3.31Å; L90-L101 HydrophobicContact CB-CG 4.38Å; L90-L101 HydrophobicContact CD2-CD2 3.81Å; L90-L101 HydrophobicContact CD2-CG 4.38Å; L90-G102 PolarHBondContact O-N 2.71Å; L90-V107 HydrophobicContact CD2-CG1 4.34Å; L90-L112 HydrophobicContact CD2-CD1 3.89Å; L90-L112 HydrophobicContact CD2-CD2 4.47Å; L90-F191 HydrophobicContact CD1-CD1 3.67Å; L90-F191 HydrophobicContact CD1-CE1 3.96Å
91G90.6Very high92.6Very high0 Ų049 Ų490%026%0.264CS..THydrogen-bonded Turntrans67.629.6178.600000113.5N87 S88 W89 G102 T103 H104 H105N87-G91 PolarHBondContact O-N 3.03Å; S88-G91 WeakPolarHBondContact O-CA 3.28Å; S88-G91 PolarHBondContact O-N 3.31Å; W89-G91 PolarHBondContact O-N 3.35Å; G91-G102 CarbonylContact O-C 3.56Å; G91-T103 PolarHBondContact O-N 3.4Å; G91-T103 PolarHBondContact O-OG1 3.05Å; G91-H104 PolarHBondContact O-N 2.99Å; G91-H105 WeakPolarHBondContact CA-O 3.42Å
92R90.7Very high92Very high5 Ų546.2 Ų46.22%0.01926%0.256CS..  trans-75.3159.1177.9-68.9-177.5174.8154.6-7.1111.7N87 L90 P94 P97 S99 H104 E169N87-R92 WeakPolarHBondContact O-CB 3.47Å; N87-R92 PolarHBondContact O-N 3.22Å; N87-R92 PolarHBondContact OD1-NH1 3.5Å; L90-R92 VanDerWaalsContact C-N 3.31Å; L90-R92 HydrophobicContact CB-CG 4.27Å; L90-R92 PolarHBondContact O-N 3.31Å; R92-P94 WeakPolarHBondContact O-CD 3.49Å; R92-P97 WeakPolarHBondContact CD-O 3.05Å; R92-P97 PolarHBondContact NH1-O 3Å; R92-S99 WeakPolarHBondContact CA-OG 3.26Å; R92-S99 WeakPolarHBondContact CB-OG 3.26Å; R92-H104 WeakPolarHBondContact O-CB 3.01Å; R92-E169 IonicContact CZ-OE1 3.95Å; R92-E169 IonicContact NH2-OE1 3.5Å; R92-E169 PolarHBondContact NH2-OE1 3Å
93D90.3Very high91.3Very high65 Ų6549.6 Ų49.635%0.34828%0.277SS..  trans-63.5124169.8-176.1-15.5000109.8N95 N96 S99 T103D93-N95 PolarHBondContact O-N 2.96Å; D93-N95 VanDerWaalsContact O-N 3.14Å; D93-N95 PolarHBondContact OD1-N 2.94Å; D93-N96 HydrophobicContact CB-CB 4.36Å; D93-N96 CarbonylContact O-C 3.49Å; D93-N96 PolarHBondContact O-N 3.4Å; D93-N96 VanDerWaalsContact O-N 3.07Å; D93-N96 VanDerWaalsContact O-O 3.12Å; D93-S99 PolarHBondContact N-OG 2.04Å; D93-T103 PolarHBondContact N-OG1 3.4Å
94P90.3Very high90.6Very high99 Ų9955.3 Ų55.364%0.64330%0.304SS*.THydrogen-bonded Turntrans-54.1-28.9175.5-26.535000114.5R92R92-P94 WeakPolarHBondContact O-CD 3.49Å
95N91.1Very high90.1Very high150 Ų15053.7 Ų53.780%0.80229%0.293SS*.THydrogen-bonded Turntrans-86.9-17.7-179.4-62.1-45.3000113.3D93D93-N95 PolarHBondContact O-N 2.96Å; D93-N95 VanDerWaalsContact O-N 3.14Å; D93-N95 PolarHBondContact OD1-N 2.94Å
96N91Very high89.5Confident59 Ų5953.1 Ų53.132%0.31630%0.304SS..  trans-13598.7-178.3-176.13000111.6D93 W98 S99D93-N96 HydrophobicContact CB-CB 4.36Å; D93-N96 CarbonylContact O-C 3.49Å; D93-N96 PolarHBondContact O-N 3.4Å; D93-N96 VanDerWaalsContact O-N 3.07Å; D93-N96 VanDerWaalsContact O-O 3.12Å; N96-W98 PolarHBondContact O-N 3.09Å; N96-W98 VanDerWaalsContact O-N 3.09Å; N96-W98 PolarHBondContact OD1-N 3.32Å; N96-W98 VanDerWaalsContact OD1-N 3.09Å; N96-S99 WeakPolarHBondContact O-CB 3Å; N96-S99 PolarHBondContact O-N 2.82Å; N96-S99 PolarHBondContact O-OG 2.76Å
97P91.6Very high89.2Confident37 Ų3754.4 Ų54.424%0.2431%0.312CS..THydrogen-bonded Turntrans-70.4-6.7-177.729.6-35.1000114.4R92 T190R92-P97 WeakPolarHBondContact CD-O 3.05Å; R92-P97 PolarHBondContact NH1-O 3Å; P97-T190 HydrophobicContact CB-CG2 3.77Å; P97-T190 HydrophobicContact CG-CG2 3.6Å
98W91.3Very high89.1Confident52 Ų5254.5 Ų54.520%0.19731%0.312CS..THydrogen-bonded Turntrans-1039.6172.3-63.6-82.4000112.8N96 P171 G185 K186 G187 I189 T190N96-W98 PolarHBondContact O-N 3.09Å; N96-W98 VanDerWaalsContact O-N 3.09Å; N96-W98 PolarHBondContact OD1-N 3.32Å; N96-W98 VanDerWaalsContact OD1-N 3.09Å; W98-P171 HydrophobicContact CB-CG 4.19Å; W98-P171 HydrophobicContact CG-CG 4.4Å; W98-G185 WeakPolarHBondContact CB-O 3.27Å; W98-K186 HydrophobicContact CD2-CB 4.2Å; W98-K186 HydrophobicContact CD2-CG 4.35Å; W98-K186 HydrophobicContact CE3-CB 4.04Å; W98-K186 HydrophobicContact CE3-CD 4.31Å; W98-K186 HydrophobicContact CE3-CG 3.72Å; W98-K186 HydrophobicContact CH2-CB 4.21Å; W98-K186 HydrophobicContact CH2-CD 4.21Å; W98-K186 HydrophobicContact CH2-CG 4.26Å; W98-K186 HydrophobicContact CZ2-CB 4.34Å; W98-K186 HydrophobicContact CZ3-CB 4.07Å; W98-K186 HydrophobicContact CZ3-CD 3.77Å; W98-K186 HydrophobicContact CZ3-CG 3.69Å; W98-G187 VanDerWaalsContact CD1-N 3.3Å; W98-G187 WeakPolarHBondContact CZ2-O 3.15Å; W98-G187 VanDerWaalsContact NE1-N 3.11Å; W98-I189 PolarHBondContact NE1-O 2.74Å; W98-T190 HydrophobicContact CD2-CG2 4.14Å; W98-T190 HydrophobicContact CE3-CG2 4.4Å; W98-T190 HydrophobicContact CH2-CG2 3.62Å; W98-T190 HydrophobicContact CZ2-CG2 3.3Å; W98-T190 HydrophobicContact CZ3-CG2 4.15Å
99S87.3Confident88.9Confident9 Ų953 Ų536%0.06330%0.299CS..SBendtrans-59.3153.9174.980.60000110.9R92 D93 N96 T103R92-S99 WeakPolarHBondContact CA-OG 3.26Å; R92-S99 WeakPolarHBondContact CB-OG 3.26Å; D93-S99 PolarHBondContact N-OG 2.04Å; N96-S99 WeakPolarHBondContact O-CB 3Å; N96-S99 PolarHBondContact O-N 2.82Å; N96-S99 PolarHBondContact O-OG 2.76Å; S99-T103 PolarHBondContact OG-OG1 3.22Å
100P84.3Confident88.8Confident92 Ų9256.4 Ų56.460%0.59732%0.319SS*.PPolyproline II helixtrans-52.3154.6169.8-23.632.4000112.1T103P100-T103 HydrophobicContact CB-CG2 3.75Å; P100-T103 HydrophobicContact CG-CG2 4.19Å; P100-T103 WeakPolarHBondContact O-CG2 3.05Å; P100-T103 PolarHBondContact O-OG1 3.1Å
101L87.1Confident88.9Confident16 Ų1663 Ų638%0.08434%0.344CS..THydrogen-bonded Turntrans-70.9146178.5-78.169.2000110M20 L21 T27 L90 T103 V107M20-L101 HydrophobicContact CB-CD2 4.18Å; L21-L101 HydrophobicContact CD2-CD2 4.33Å; T27-L101 HydrophobicContact CG2-CB 4.46Å; L90-L101 HydrophobicContact CB-CG 4.38Å; L90-L101 HydrophobicContact CD2-CD2 3.81Å; L90-L101 HydrophobicContact CD2-CG 4.38Å; L101-T103 VanDerWaalsContact C-N 3.31Å; L101-T103 PolarHBondContact O-N 3.06Å; L101-V107 HydrophobicContact CB-CG2 4.24Å
102G84.5Confident89.2Confident27 Ų2763 Ų6328%0.27834%0.344SS..THydrogen-bonded Turntrans73.614.8175.700000115.7L90 G91 H105L90-G102 PolarHBondContact O-N 2.71Å; G91-G102 CarbonylContact O-C 3.56Å; G102-H105 CarbonylContact C-O 3.39Å; G102-H105 VanDerWaalsContact CA-O 3.26Å; G102-H105 WeakPolarHBondContact CA-O 3.37Å
103T82.9Confident89.4Confident75 Ų7563.4 Ų63.446%0.4635%0.347SS..SBendtrans-74.7-39-177.250.40000113.6G91 D93 S99 P100 L101G91-T103 PolarHBondContact O-N 3.4Å; G91-T103 PolarHBondContact O-OG1 3.05Å; D93-T103 PolarHBondContact N-OG1 3.4Å; S99-T103 PolarHBondContact OG-OG1 3.22Å; P100-T103 HydrophobicContact CB-CG2 3.75Å; P100-T103 HydrophobicContact CG-CG2 4.19Å; P100-T103 WeakPolarHBondContact O-CG2 3.05Å; P100-T103 PolarHBondContact O-OG1 3.1Å; L101-T103 VanDerWaalsContact C-N 3.31Å; L101-T103 PolarHBondContact O-N 3.06Å
104H84.1Confident89.7Confident121 Ų12165.8 Ų65.856%0.5636%0.358SS*.SBendtrans-88.6-41.8-178.7-176.9-112.7000111.8G91 R92G91-H104 PolarHBondContact O-N 2.99Å; R92-H104 WeakPolarHBondContact O-CB 3.01Å
105H85.2Confident90Very high63 Ų6361.9 Ų61.929%0.29233%0.334SS..SBendtrans-155.8162.2173.360.471.5000109S88 G91 G102S88-H105 PolarHBondContact O-CE1 2.88Å; S88-H105 PolarHBondContact O-NE2 2.85Å; G91-H105 WeakPolarHBondContact CA-O 3.42Å; G102-H105 CarbonylContact C-O 3.39Å; G102-H105 VanDerWaalsContact CA-O 3.26Å; G102-H105 WeakPolarHBondContact CA-O 3.37Å
106P84.9Confident90.3Very high111 Ų11154.7 Ų54.772%0.72130%0.296SS*.  trans-56.7150.8177.223.8-35.5000112D108P106-D108 PolarHBondContact O-N 3.49Å
107V89.5Confident90.6Very high27 Ų2756.1 Ų56.116%0.16430%0.3CS..  trans-62.2125.8178.8179.70000110L21 T27 L90 L101 I109 L112L21-V107 HydrophobicContact CD2-CB 4.35Å; L21-V107 HydrophobicContact CD2-CG1 3.74Å; L21-V107 HydrophobicContact CD2-CG2 4.3Å; T27-V107 HydrophobicContact CG2-CG2 3.77Å; L90-V107 HydrophobicContact CD2-CG1 4.34Å; L101-V107 HydrophobicContact CB-CG2 4.24Å; V107-I109 VanDerWaalsContact C-N 3.34Å; V107-I109 PolarHBondContact O-N 2.94Å; V107-L112 HydrophobicContact CG1-CD1 3.52Å
108D92.1Very high90.9Very high38 Ų3855.4 Ų55.420%0.20330%0.299CS..  trans-82.480.8178-168.6-23.7000110.2W89 P106 I110 R111 L112W89-D108 HydrophobicContact CB-CB 4.46Å; W89-D108 PolarHBondContact O-N 3.27Å; P106-D108 PolarHBondContact O-N 3.49Å; D108-I110 PolarHBondContact O-N 2.63Å; D108-I110 PolarHBondContact OD1-N 3.06Å; D108-R111 PolarHBondContact OD1-N 3.33Å; D108-R111 VanDerWaalsContact OD1-N 3.08Å; D108-R111 WeakPolarHBondContact OD2-CD 3.28Å; D108-R111 VanDerWaalsContact OD2-CG 3.31Å; D108-R111 WeakPolarHBondContact OD2-CG 2.96Å; D108-R111 IonicContact OD2-CZ 3.81Å; D108-R111 VanDerWaalsContact OD2-CZ 3.3Å; D108-R111 IonicContact OD2-NE 2.99Å; D108-R111 PolarHBondContact OD2-NE 3.33Å; D108-R111 IonicContact OD2-NH1 3.31Å; D108-R111 PolarHBondContact OD2-NH1 3.33Å; D108-L112 WeakPolarHBondContact O-CG 3.44Å; D108-L112 PolarHBondContact O-N 3.43Å
109I90.7Very high91.2Very high30 Ų3053 Ų5315%0.15429%0.289CS..Hα-helixtrans-62.8-29.5-176-161.263.3000112.5L21 A32 F36 V107 T113L21-I109 HydrophobicContact CD1-CD1 3.58Å; A32-I109 HydrophobicContact CB-CD1 4.38Å; A32-I109 HydrophobicContact CB-CG1 4.1Å; F36-I109 HydrophobicContact CB-CD1 3.93Å; F36-I109 HydrophobicContact CB-CG1 4.43Å; F36-I109 HydrophobicContact CD2-CD1 4.16Å; F36-I109 HydrophobicContact CG-CD1 4.38Å; V107-I109 VanDerWaalsContact C-N 3.34Å; V107-I109 PolarHBondContact O-N 2.94Å; I109-T113 VanDerWaalsContact O-CB 3.28Å; I109-T113 WeakPolarHBondContact O-CB 3.3Å; I109-T113 PolarHBondContact O-N 3.46Å; I109-T113 PolarHBondContact O-OG1 3.4Å
110I92.7Very high91.7Very high108 Ų10852.6 Ų52.655%0.55429%0.287SS*.Hα-helixtrans-72.5-49.5-176.8-64.4174.7000110D108 L112 T113 I114D108-I110 PolarHBondContact O-N 2.63Å; D108-I110 PolarHBondContact OD1-N 3.06Å; I110-L112 VanDerWaalsContact C-N 3.32Å; I110-L112 PolarHBondContact O-N 3.12Å; I110-T113 PolarHBondContact O-N 3.35Å; I110-I114 HydrophobicContact CG2-CD1 3.85Å; I110-I114 HydrophobicContact CG2-CG1 4.49Å; I110-I114 WeakPolarHBondContact O-CG1 3Å; I110-I114 PolarHBondContact O-N 2.97Å
111R95.6Very high92.3Very high139 Ų13952.1 Ų52.153%0.52528%0.276SS..Hα-helixtrans-62.7-40.6177.1-69.8-172.4-176135.1-11.2111.9W89 D108 T113 I114 A115W89-R111 HydrophobicContact CD2-CB 4.07Å; W89-R111 HydrophobicContact CG-CB 4.27Å; D108-R111 PolarHBondContact OD1-N 3.33Å; D108-R111 VanDerWaalsContact OD1-N 3.08Å; D108-R111 WeakPolarHBondContact OD2-CD 3.28Å; D108-R111 VanDerWaalsContact OD2-CG 3.31Å; D108-R111 WeakPolarHBondContact OD2-CG 2.96Å; D108-R111 IonicContact OD2-CZ 3.81Å; D108-R111 VanDerWaalsContact OD2-CZ 3.3Å; D108-R111 IonicContact OD2-NE 2.99Å; D108-R111 PolarHBondContact OD2-NE 3.33Å; D108-R111 IonicContact OD2-NH1 3.31Å; D108-R111 PolarHBondContact OD2-NH1 3.33Å; R111-T113 VanDerWaalsContact C-N 3.35Å; R111-T113 PolarHBondContact O-N 2.82Å; R111-I114 PolarHBondContact O-N 3.36Å; R111-A115 WeakPolarHBondContact O-CB 3.22Å; R111-A115 PolarHBondContact O-N 3.28Å
112L95.2Very high92.8Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-58-47.6172.6-73.7168.1000111.4F36 I86 W89 L90 V107 D108 I110 A115 F116F36-L112 HydrophobicContact CD2-CB 4.3Å; F36-L112 HydrophobicContact CE2-CB 4.07Å; I86-L112 HydrophobicContact CD1-CD2 3.53Å; W89-L112 HydrophobicContact CB-CD2 4.04Å; W89-L112 HydrophobicContact CB-CG 4.01Å; W89-L112 HydrophobicContact CE3-CD2 4.06Å; L90-L112 HydrophobicContact CD2-CD1 3.89Å; L90-L112 HydrophobicContact CD2-CD2 4.47Å; V107-L112 HydrophobicContact CG1-CD1 3.52Å; D108-L112 WeakPolarHBondContact O-CG 3.44Å; D108-L112 PolarHBondContact O-N 3.43Å; I110-L112 VanDerWaalsContact C-N 3.32Å; I110-L112 PolarHBondContact O-N 3.12Å; L112-A115 PolarHBondContact O-N 3.33Å; L112-F116 HydrophobicContact CD2-CE2 4.35Å; L112-F116 WeakPolarHBondContact O-CB 3.49Å; L112-F116 WeakPolarHBondContact O-CD2 3.49Å; L112-F116 PolarHBondContact O-N 3.42Å
113T95.3Very high93.4Very high14 Ų1451.7 Ų51.79%0.08627%0.267CS..Hα-helixtrans-62.7-45.8-179.8-580000111.1T35 L38 V39 I109 I110 R111 F117T35-T113 WeakPolarHBondContact O-CG2 3.29Å; L38-T113 HydrophobicContact CB-CG2 4.33Å; V39-T113 HydrophobicContact CG2-CG2 4.18Å; I109-T113 VanDerWaalsContact O-CB 3.28Å; I109-T113 WeakPolarHBondContact O-CB 3.3Å; I109-T113 PolarHBondContact O-N 3.46Å; I109-T113 PolarHBondContact O-OG1 3.4Å; I110-T113 PolarHBondContact O-N 3.35Å; R111-T113 VanDerWaalsContact C-N 3.35Å; R111-T113 PolarHBondContact O-N 2.82Å; T113-F117 WeakPolarHBondContact O-CB 3.47Å; T113-F117 PolarHBondContact O-N 3.42Å
114I96.9Very high94Very high115 Ų11548.1 Ų48.159%0.5925%0.245SC*.Hα-helixtrans-62.2-46.5179.7-68.5168.4000111.1I110 R111 F117 G118I110-I114 HydrophobicContact CG2-CD1 3.85Å; I110-I114 HydrophobicContact CG2-CG1 4.49Å; I110-I114 WeakPolarHBondContact O-CG1 3Å; I110-I114 PolarHBondContact O-N 2.97Å; R111-I114 PolarHBondContact O-N 3.36Å; I114-F117 WeakPolarHBondContact O-CB 3.34Å; I114-F117 PolarHBondContact O-N 3.42Å; I114-G118 PolarHBondContact O-N 3.09Å
115A97.4Very high94.5Very high16 Ų1642.7 Ų42.713%0.13222%0.22CC..Hα-helixtrans-69.7-42.3-176.900000111.7L82 W89 R111 L112 F117 G118 L119L82-A115 HydrophobicContact CD2-CB 3.51Å; W89-A115 HydrophobicContact CH2-CB 3.87Å; W89-A115 HydrophobicContact CZ3-CB 3.55Å; R111-A115 WeakPolarHBondContact O-CB 3.22Å; R111-A115 PolarHBondContact O-N 3.28Å; L112-A115 PolarHBondContact O-N 3.33Å; A115-F117 VanDerWaalsContact C-N 3.32Å; A115-F117 PolarHBondContact O-N 3.39Å; A115-G118 PolarHBondContact O-N 3.38Å; A115-L119 PolarHBondContact O-N 3.24Å
116F97.6Very high95Very high0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-71.4-27.3175.1-83.2-100.5000112.9L13 S14 I17 F36 V39 L82 I86 L112 L119 T120 F191L13-F116 HydrophobicContact CB-CE1 4.06Å; S14-F116 WeakPolarHBondContact OG-CD1 3.22Å; I17-F116 HydrophobicContact CD1-CE2 4.26Å; I17-F116 HydrophobicContact CD1-CZ 3.93Å; I17-F116 HydrophobicContact CG1-CE1 4.07Å; I17-F116 HydrophobicContact CG1-CE2 4.22Å; I17-F116 HydrophobicContact CG1-CZ 3.84Å; F36-F116 HydrophobicContact CE2-CB 4.1Å; F36-F116 HydrophobicContact CE2-CD2 4.18Å; F36-F116 HydrophobicContact CE2-CG 4.14Å; F36-F116 HydrophobicContact CZ-CB 3.92Å; F36-F116 HydrophobicContact CZ-CD1 4.09Å; F36-F116 HydrophobicContact CZ-CD2 4.18Å; F36-F116 AromaticContact CZ-CG 3.81Å; F36-F116 HydrophobicContact CZ-CG 3.81Å; V39-F116 HydrophobicContact CB-CB 4.28Å; V39-F116 HydrophobicContact CG1-CB 3.67Å; V39-F116 HydrophobicContact CG2-CB 3.54Å; L82-F116 HydrophobicContact CD2-CE2 4.46Å; I86-F116 HydrophobicContact CD1-CE2 4.04Å; L112-F116 HydrophobicContact CD2-CE2 4.35Å; L112-F116 WeakPolarHBondContact O-CB 3.49Å; L112-F116 WeakPolarHBondContact O-CD2 3.49Å; L112-F116 PolarHBondContact O-N 3.42Å; F116-L119 HydrophobicContact CD1-CD2 4.24Å; F116-L119 HydrophobicContact CE1-CD2 4.41Å; F116-L119 PolarHBondContact O-N 3.07Å; F116-T120 WeakPolarHBondContact O-CB 3.37Å; F116-T120 WeakPolarHBondContact O-CG2 3.33Å; F116-T120 PolarHBondContact O-N 3.29Å; F116-T120 PolarHBondContact O-OG1 2.94Å; F116-F191 HydrophobicContact CZ-CZ 4.17Å
117F97.2Very high95.4Very high89 Ų8934.6 Ų34.639%0.3917%0.173SC..Hα-helixtrans-64.3-41.7170.2-178.6-84.4000111.4P42 T113 I114 A115 T120 F121P42-F117 HydrophobicContact CG-CD2 3.79Å; P42-F117 HydrophobicContact CG-CE1 4.32Å; P42-F117 HydrophobicContact CG-CE2 3.58Å; P42-F117 HydrophobicContact CG-CG 4.26Å; P42-F117 HydrophobicContact CG-CZ 3.86Å; T113-F117 WeakPolarHBondContact O-CB 3.47Å; T113-F117 PolarHBondContact O-N 3.42Å; I114-F117 WeakPolarHBondContact O-CB 3.34Å; I114-F117 PolarHBondContact O-N 3.42Å; A115-F117 VanDerWaalsContact C-N 3.32Å; A115-F117 PolarHBondContact O-N 3.39Å; F117-T120 WeakPolarHBondContact CA-OG1 3.39Å; F117-T120 PolarHBondContact O-OG1 3.42Å; F117-F121 VanDerWaalsContact O-CB 3.23Å; F117-F121 WeakPolarHBondContact O-CB 3.18Å; F117-F121 PolarHBondContact O-N 3.16Å
118G97.4Very high95.6Very high22 Ų2233.3 Ų33.323%0.22717%0.165CC..Hα-helixtrans-57.9-53171.300000112I114 A115 T120 F121 L122I114-G118 PolarHBondContact O-N 3.09Å; A115-G118 PolarHBondContact O-N 3.38Å; G118-T120 VanDerWaalsContact C-N 3.32Å; G118-T120 PolarHBondContact O-N 2.97Å; G118-F121 WeakPolarHBondContact O-CB 3.45Å; G118-F121 PolarHBondContact O-N 2.87Å; G118-F121 VanDerWaalsContact O-N 3.11Å; G118-L122 PolarHBondContact O-N 2.76Å
119L98.1Very high95.6Very high0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-55.8-44.7179.8-17865.7000112.8P10 L13 I75 E78 L79 L82 A115 F116 A123P10-L119 HydrophobicContact CB-CD2 4.37Å; P10-L119 HydrophobicContact CB-CG 4.09Å; P10-L119 HydrophobicContact CG-CD1 4.46Å; P10-L119 HydrophobicContact CG-CG 4.49Å; L13-L119 HydrophobicContact CD1-CD2 4.5Å; I75-L119 HydrophobicContact CG2-CD1 3.85Å; E78-L119 VanDerWaalsContact CD-N 3.31Å; E78-L119 HydrophobicContact CG-CB 4.5Å; E78-L119 HydrophobicContact CG-CD1 4.45Å; E78-L119 PolarHBondContact OE1-N 3.38Å; E78-L119 WeakPolarHBondContact OE2-CA 3.46Å; E78-L119 PolarHBondContact OE2-N 2.99Å; E78-L119 VanDerWaalsContact OE2-N 3.15Å; L79-L119 HydrophobicContact CD2-CD1 3.93Å; L79-L119 HydrophobicContact CD2-CD2 3.9Å; L79-L119 HydrophobicContact CG-CD1 4.03Å; L82-L119 HydrophobicContact CD1-CD2 4.03Å; A115-L119 PolarHBondContact O-N 3.24Å; F116-L119 HydrophobicContact CD1-CD2 4.24Å; F116-L119 HydrophobicContact CE1-CD2 4.41Å; F116-L119 PolarHBondContact O-N 3.07Å; L119-A123 WeakPolarHBondContact O-CB 3.2Å; L119-A123 PolarHBondContact O-N 3.45Å
120T96.3Very high95.7Very high2 Ų230.4 Ų30.41%0.01215%0.15CC..Hα-helixtrans-76.3-29179.249.70000113.2S14 V39 F43 F116 F117 G118 A123 A124S14-T120 WeakPolarHBondContact OG-CG2 3.31Å; V39-T120 HydrophobicContact CG1-CG2 3.59Å; V39-T120 VanDerWaalsContact O-CB 3.29Å; V39-T120 WeakPolarHBondContact O-CB 3.38Å; V39-T120 WeakPolarHBondContact O-CG2 3.13Å; V39-T120 PolarHBondContact O-OG1 3.4Å; F43-T120 HydrophobicContact CE2-CG2 4.31Å; F116-T120 WeakPolarHBondContact O-CB 3.37Å; F116-T120 WeakPolarHBondContact O-CG2 3.33Å; F116-T120 PolarHBondContact O-N 3.29Å; F116-T120 PolarHBondContact O-OG1 2.94Å; F117-T120 WeakPolarHBondContact CA-OG1 3.39Å; F117-T120 PolarHBondContact O-OG1 3.42Å; G118-T120 VanDerWaalsContact C-N 3.32Å; G118-T120 PolarHBondContact O-N 2.97Å; T120-A123 PolarHBondContact O-N 2.9Å; T120-A124 VanDerWaalsContact O-CB 3.25Å; T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 3.43Å
121F97.1Very high95.5Very high81 Ų8125.4 Ų25.436%0.35513%0.125SC..Hα-helixtrans-63.4-43.4170.6178.2-91.2000111.4P42 W49 F117 G118 A124 T125P42-F121 HydrophobicContact CB-CB 3.97Å; P42-F121 HydrophobicContact CB-CD2 4.2Å; P42-F121 HydrophobicContact CG-CB 4.05Å; W49-F121 AromaticContact CD2-CE2 4Å; W49-F121 HydrophobicContact CD2-CE2 4Å; W49-F121 HydrophobicContact CD2-CZ 4.34Å; W49-F121 AromaticContact CE2-CE2 3.75Å; W49-F121 AromaticContact CE3-CE2 3.99Å; W49-F121 HydrophobicContact CE3-CE2 3.99Å; W49-F121 AromaticContact CH2-CD2 3.67Å; W49-F121 HydrophobicContact CH2-CD2 3.67Å; W49-F121 AromaticContact CH2-CE2 3.56Å; W49-F121 HydrophobicContact CH2-CE2 3.56Å; W49-F121 AromaticContact CZ2-CD2 3.74Å; W49-F121 HydrophobicContact CZ2-CD2 3.74Å; W49-F121 AromaticContact CZ2-CE2 3.55Å; W49-F121 HydrophobicContact CZ2-CE2 3.55Å; W49-F121 HydrophobicContact CZ2-CZ 4.29Å; W49-F121 HydrophobicContact CZ3-CD2 4.27Å; W49-F121 AromaticContact CZ3-CE2 3.78Å; W49-F121 HydrophobicContact CZ3-CE2 3.78Å; F117-F121 VanDerWaalsContact O-CB 3.23Å; F117-F121 WeakPolarHBondContact O-CB 3.18Å; F117-F121 PolarHBondContact O-N 3.16Å; G118-F121 WeakPolarHBondContact O-CB 3.45Å; G118-F121 PolarHBondContact O-N 2.87Å; G118-F121 VanDerWaalsContact O-N 3.11Å; F121-A124 PolarHBondContact O-N 2.95Å; F121-T125 PolarHBondContact O-N 2.79Å; F121-T125 PolarHBondContact O-OG1 3.01Å
122L97.9Very high95Very high35 Ų3518.8 Ų18.818%0.18310%0.1CC..Hα-helixtrans-63.7-44.1172.7-64.9177.7000111.6A74 I75 E78 G118 A124 T125 Q126A74-L122 HydrophobicContact CB-CD1 3.59Å; A74-L122 HydrophobicContact CB-CD2 3.94Å; A74-L122 HydrophobicContact CB-CG 4.41Å; I75-L122 HydrophobicContact CD1-CB 4.19Å; I75-L122 HydrophobicContact CG1-CB 3.55Å; I75-L122 HydrophobicContact CG1-CD1 4.15Å; E78-L122 WeakPolarHBondContact OE2-CD1 3.25Å; G118-L122 PolarHBondContact O-N 2.76Å; L122-A124 VanDerWaalsContact C-N 3.35Å; L122-A124 PolarHBondContact O-N 3Å; L122-T125 WeakPolarHBondContact O-CB 3.29Å; L122-T125 PolarHBondContact O-N 3.3Å; L122-Q126 PolarHBondContact O-N 2.84Å
123A97Very high94.7Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-62.6-39.2177.100000112.6P10 F43 I75 L119 T120 T125 Q126 D127P10-A123 HydrophobicContact CB-CB 3.68Å; P10-A123 HydrophobicContact CG-CB 3.79Å; F43-A123 HydrophobicContact CE2-CB 4.12Å; F43-A123 HydrophobicContact CZ-CB 3.67Å; I75-A123 HydrophobicContact CD1-CB 4.38Å; L119-A123 WeakPolarHBondContact O-CB 3.2Å; L119-A123 PolarHBondContact O-N 3.45Å; T120-A123 PolarHBondContact O-N 2.9Å; A123-T125 VanDerWaalsContact C-N 3.33Å; A123-Q126 WeakPolarHBondContact O-CB 3.41Å; A123-Q126 PolarHBondContact O-N 3.02Å; A123-D127 WeakPolarHBondContact O-CB 3.29Å; A123-D127 PolarHBondContact O-N 3.46Å
124A95.5Very high94.3Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-66.6-35.6174.900000111.8P42 F43 K46 W49 T120 F121 L122 D127 I128P42-A124 HydrophobicContact CB-CB 4.2Å; F43-A124 HydrophobicContact CD1-CB 3.9Å; F43-A124 HydrophobicContact CD2-CB 4.28Å; F43-A124 HydrophobicContact CE1-CB 4.08Å; F43-A124 HydrophobicContact CE2-CB 4.44Å; F43-A124 HydrophobicContact CG-CB 4.01Å; F43-A124 HydrophobicContact CZ-CB 4.35Å; K46-A124 HydrophobicContact CB-CB 4.35Å; W49-A124 HydrophobicContact CZ2-CB 4.1Å; T120-A124 VanDerWaalsContact O-CB 3.25Å; T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 3.43Å; F121-A124 PolarHBondContact O-N 2.95Å; L122-A124 VanDerWaalsContact C-N 3.35Å; L122-A124 PolarHBondContact O-N 3Å; A124-D127 WeakPolarHBondContact O-CB 3.44Å; A124-D127 PolarHBondContact O-N 2.94Å; A124-I128 WeakPolarHBondContact O-CG1 3.35Å; A124-I128 PolarHBondContact O-N 3.39Å
125T95.8Very high93.6Very high6 Ų615.6 Ų15.64%0.0378%0.084CC..Hα-helixtrans-68.3-42.1174-54.90000111.5W49 I53 W67 T71 F121 L122 A123 D127 I128 A129W49-T125 PolarHBondContact NE1-OG1 3.09Å; I53-T125 HydrophobicContact CD1-CG2 3.54Å; I53-T125 HydrophobicContact CG1-CG2 4.01Å; W67-T125 HydrophobicContact CE3-CG2 4.35Å; T71-T125 HydrophobicContact CG2-CG2 3.66Å; F121-T125 PolarHBondContact O-N 2.79Å; F121-T125 PolarHBondContact O-OG1 3.01Å; L122-T125 WeakPolarHBondContact O-CB 3.29Å; L122-T125 PolarHBondContact O-N 3.3Å; A123-T125 VanDerWaalsContact C-N 3.33Å; T125-D127 VanDerWaalsContact C-N 3.33Å; T125-D127 PolarHBondContact O-N 3.13Å; T125-I128 PolarHBondContact O-N 3.13Å; T125-A129 PolarHBondContact O-N 3.36Å
126Q94.9Very high92.8Very high0 Ų017.9 Ų17.90%010%0.099CC..Hα-helixtrans-59-45.8173.8-165.5-16931.900111L68 Q72 I75 L122 A123 I128 A129 V130L68-Q126 HydrophobicContact CD1-CG 3.55Å; Q72-Q126 VanDerWaalsContact OE1-NE2 3.1Å; I75-Q126 HydrophobicContact CD1-CB 4.37Å; L122-Q126 PolarHBondContact O-N 2.84Å; A123-Q126 WeakPolarHBondContact O-CB 3.41Å; A123-Q126 PolarHBondContact O-N 3.02Å; Q126-I128 VanDerWaalsContact C-N 3.33Å; Q126-I128 PolarHBondContact O-N 2.92Å; Q126-A129 PolarHBondContact O-N 3.3Å; Q126-A129 VanDerWaalsContact O-N 3.09Å; Q126-V130 HydrophobicContact CG-CG2 4.2Å; Q126-V130 VanDerWaalsContact O-CG2 3.31Å; Q126-V130 WeakPolarHBondContact O-CG2 3.5Å; Q126-V130 PolarHBondContact O-N 3.45Å
127D94.1Very high92.2Very high4 Ų421.9 Ų21.92%0.02112%0.119CC..Hα-helixtrans-55.8-43179.1-177.539.4000112.7Q7 F43 K46 A123 A124 T125 A129 V130 D131Q7-D127 HydrophobicContact CG-CB 4.27Å; Q7-D127 VanDerWaalsContact NE2-CB 3.33Å; Q7-D127 PolarHBondContact NE2-OD1 2.8Å; Q7-D127 PolarHBondContact NE2-OD2 3.43Å; Q7-D127 PolarHBondContact OE1-OD1 3.25Å; F43-D127 HydrophobicContact CE1-CB 4.13Å; K46-D127 IonicContact NZ-OD2 2.72Å; K46-D127 PolarHBondContact NZ-OD2 2.96Å; A123-D127 WeakPolarHBondContact O-CB 3.29Å; A123-D127 PolarHBondContact O-N 3.46Å; A124-D127 WeakPolarHBondContact O-CB 3.44Å; A124-D127 PolarHBondContact O-N 2.94Å; T125-D127 VanDerWaalsContact C-N 3.33Å; T125-D127 PolarHBondContact O-N 3.13Å; D127-A129 VanDerWaalsContact C-N 3.32Å; D127-A129 PolarHBondContact O-N 3.45Å; D127-V130 PolarHBondContact O-N 2.94Å; D127-D131 WeakPolarHBondContact O-CB 3.46Å; D127-D131 PolarHBondContact O-N 3.03Å
128I92.6Very high91.6Very high0 Ų020.1 Ų20.10%011%0.114CC..Hα-helixtrans-56.2-48.3175.3-60.9165000110.8K46 A50 I53 A124 T125 Q126 G132 T591K46-I128 HydrophobicContact CB-CD1 3.82Å; K46-I128 HydrophobicContact CB-CG1 4.28Å; K46-I128 HydrophobicContact CD-CD1 4.4Å; K46-I128 HydrophobicContact CD-CG1 3.91Å; K46-I128 HydrophobicContact CG-CD1 4.36Å; K46-I128 HydrophobicContact CG-CG1 4.32Å; A50-I128 HydrophobicContact CB-CD1 3.86Å; A50-I128 HydrophobicContact CB-CG1 4.33Å; A50-I128 HydrophobicContact CB-CG2 4.16Å; I53-I128 HydrophobicContact CB-CG2 3.96Å; I53-I128 HydrophobicContact CG1-CD1 4.17Å; I53-I128 HydrophobicContact CG2-CB 4.2Å; I53-I128 HydrophobicContact CG2-CG2 3.82Å; A124-I128 WeakPolarHBondContact O-CG1 3.35Å; A124-I128 PolarHBondContact O-N 3.39Å; T125-I128 PolarHBondContact O-N 3.13Å; Q126-I128 VanDerWaalsContact C-N 3.33Å; Q126-I128 PolarHBondContact O-N 2.92Å; I128-G132 PolarHBondContact O-N 2.98Å; I128-G132 VanDerWaalsContact O-N 3.12Å; I128-T591 HydrophobicContact CD1-CG2 4.44Å; I128-T591 HydrophobicContact CG1-CG2 3.81Å; I128-T591 HydrophobicContact CG2-CG2 4.36Å
129A92.2Very high90.9Very high2 Ų222.2 Ų22.22%0.01713%0.125CC..Hα-helixtrans-66.5-41.1-179.700000112I53 W67 L68 T125 Q126 D127 W133I53-A129 HydrophobicContact CG2-CB 4.47Å; W67-A129 HydrophobicContact CB-CB 4.33Å; L68-A129 HydrophobicContact CB-CB 4.44Å; T125-A129 PolarHBondContact O-N 3.36Å; Q126-A129 PolarHBondContact O-N 3.3Å; Q126-A129 VanDerWaalsContact O-N 3.09Å; D127-A129 VanDerWaalsContact C-N 3.32Å; D127-A129 PolarHBondContact O-N 3.45Å; A129-W133 WeakPolarHBondContact O-CB 3.24Å; A129-W133 PolarHBondContact O-N 3.47Å
130V92.8Very high90Very high5 Ų529.8 Ų29.83%0.0316%0.158CC..Hα-helixtrans-69.2-43.3-179.3177.70000111.6L3 Y4 L68 Q126 D127 W133 A134L3-V130 HydrophobicContact CB-CG1 3.79Å; L3-V130 HydrophobicContact CB-CG2 3.96Å; L3-V130 HydrophobicContact CD1-CG1 4.39Å; L3-V130 HydrophobicContact CD1-CG2 4.21Å; Y4-V130 HydrophobicContact CD1-CG1 3.85Å; Y4-V130 HydrophobicContact CD2-CG1 4.45Å; Y4-V130 HydrophobicContact CE1-CB 4.43Å; Y4-V130 HydrophobicContact CE1-CG1 3.55Å; Y4-V130 HydrophobicContact CE2-CG1 4.21Å; Y4-V130 HydrophobicContact CG-CG1 4.29Å; L68-V130 HydrophobicContact CD1-CG2 3.64Å; Q126-V130 HydrophobicContact CG-CG2 4.2Å; Q126-V130 VanDerWaalsContact O-CG2 3.31Å; Q126-V130 WeakPolarHBondContact O-CG2 3.5Å; Q126-V130 PolarHBondContact O-N 3.45Å; D127-V130 PolarHBondContact O-N 2.94Å; V130-W133 CarbonylContact O-C 3.35Å; V130-W133 PolarHBondContact O-N 2.99Å; V130-W133 VanDerWaalsContact O-N 3.13Å; V130-A134 WeakPolarHBondContact O-CB 3.39Å; V130-A134 PolarHBondContact O-N 2.96Å
131D89.3Confident89.3Confident3 Ų339.1 Ų39.12%0.01620%0.198CC..Hα-helixtrans-62.8-45.1176.6-83.4-15.3000111.5Y4 K46 D127 W133 A134 N150 M590 N594Y4-D131 VanDerWaalsContact CE1-OD1 3.29Å; Y4-D131 WeakPolarHBondContact CE1-OD1 2.89Å; Y4-D131 PolarHBondContact OH-OD1 2.96Å; K46-D131 IonicContact NZ-OD2 3.82Å; D127-D131 WeakPolarHBondContact O-CB 3.46Å; D127-D131 PolarHBondContact O-N 3.03Å; D131-W133 PolarHBondContact O-N 3.36Å; D131-A134 PolarHBondContact O-N 3.33Å; D131-N150 PolarHBondContact OD1-ND2 2.81Å; D131-M590 HydrophobicContact CB-CG 4.41Å; D131-N594 PolarHBondContact OD2-ND2 3.16Å
132G85.2Confident88.7Confident0 Ų038.5 Ų38.50%020%0.198CC..Hα-helixtrans-63.4-28.2173.300000113.2I128 I135 S136I128-G132 PolarHBondContact O-N 2.98Å; I128-G132 VanDerWaalsContact O-N 3.12Å; G132-I135 WeakPolarHBondContact O-CG1 3.44Å; G132-S136 PolarHBondContact O-OG 3.34Å
133W87.8Confident88Confident13 Ų1339.6 Ų39.65%0.04920%0.204CC..Hα-helixtrans-81.6-32.3175.9-158.319.5000113.2L3 R64 L68 A129 V130 D131 I135 S136 I137 L209 K213L3-W133 HydrophobicContact CD1-CE3 3.67Å; L3-W133 HydrophobicContact CD1-CZ3 3.65Å; R64-W133 HydrophobicContact CB-CB 4.04Å; R64-W133 HydrophobicContact CB-CD2 4.18Å; R64-W133 HydrophobicContact CB-CG 3.9Å; R64-W133 HydrophobicContact CG-CB 3.85Å; R64-W133 HydrophobicContact CG-CG 3.87Å; L68-W133 HydrophobicContact CD2-CE3 3.74Å; L68-W133 HydrophobicContact CD2-CH2 4.41Å; L68-W133 HydrophobicContact CD2-CZ3 3.4Å; A129-W133 WeakPolarHBondContact O-CB 3.24Å; A129-W133 PolarHBondContact O-N 3.47Å; V130-W133 CarbonylContact O-C 3.35Å; V130-W133 PolarHBondContact O-N 2.99Å; V130-W133 VanDerWaalsContact O-N 3.13Å; D131-W133 PolarHBondContact O-N 3.36Å; W133-I135 VanDerWaalsContact C-N 3.25Å; W133-I135 PolarHBondContact O-N 3.48Å; W133-S136 PolarHBondContact O-N 3.36Å; W133-S136 VanDerWaalsContact O-N 3.15Å; W133-S136 PolarHBondContact O-OG 3.2Å; W133-I137 VanDerWaalsContact O-CB 3.31Å; W133-I137 WeakPolarHBondContact O-CB 2.89Å; W133-I137 WeakPolarHBondContact O-CG2 3.48Å; W133-I137 PolarHBondContact O-N 3Å; W133-L209 HydrophobicContact CH2-CD2 4.42Å; W133-L209 HydrophobicContact CZ3-CD1 4.12Å; W133-K213 HydrophobicContact CH2-CB 4.37Å; W133-K213 HydrophobicContact CH2-CD 4.29Å; W133-K213 HydrophobicContact CH2-CG 3.31Å; W133-K213 HydrophobicContact CZ2-CD 4.14Å; W133-K213 HydrophobicContact CZ2-CG 3.58Å; W133-K213 HydrophobicContact CZ3-CG 4.36Å
134A87.5Confident87.1Confident11 Ų1141 Ų419%0.09122%0.219CC..Hα-helixtrans-60.6-35.6-179.400000112.4Y4 V130 D131 L138 A146Y4-A134 HydrophobicContact CE2-CB 4.2Å; Y4-A134 VanDerWaalsContact OH-CB 3.31Å; Y4-A134 WeakPolarHBondContact OH-CB 3.42Å; V130-A134 WeakPolarHBondContact O-CB 3.39Å; V130-A134 PolarHBondContact O-N 2.96Å; D131-A134 PolarHBondContact O-N 3.33Å; A134-L138 WeakPolarHBondContact O-CD1 3.39Å; A134-A146 HydrophobicContact CB-CB 4.42Å
135I82.1Confident86.7Confident39 Ų3945.6 Ų45.620%0.224%0.236CC..Hα-helixtrans-75.1-26.8177.860.7168.9000113.6G132 W133 L143 G586G132-I135 WeakPolarHBondContact O-CG1 3.44Å; W133-I135 VanDerWaalsContact C-N 3.25Å; W133-I135 PolarHBondContact O-N 3.48Å; I135-L143 HydrophobicContact CB-CD1 4.17Å; I135-L143 HydrophobicContact CG2-CD1 4.17Å; I135-G586 VanDerWaalsContact CD1-C 3.4Å
136S80.6Confident86.2Confident64 Ų6445.6 Ų45.645%0.44824%0.237SC..Hα-helixtrans-96.6-25.9-178.254.40000113.3G132 W133G132-S136 PolarHBondContact O-OG 3.34Å; W133-S136 PolarHBondContact O-N 3.36Å; W133-S136 VanDerWaalsContact O-N 3.15Å; W133-S136 PolarHBondContact O-OG 3.2Å
137I84.4Confident85.8Confident84 Ų8445.7 Ų45.743%0.43124%0.238SC..Hα-helixtrans-77.8-28.2178-161.1177000112.9W133 K213W133-I137 VanDerWaalsContact O-CB 3.31Å; W133-I137 WeakPolarHBondContact O-CB 2.89Å; W133-I137 WeakPolarHBondContact O-CG2 3.48Å; W133-I137 PolarHBondContact O-N 3Å; I137-K213 HydrophobicContact CD1-CD 4.38Å; I137-K213 VanDerWaalsContact CD1-CE 3.43Å
138L84.3Confident85.5Confident52 Ų5245.5 Ų45.527%0.27224%0.237SC..SBendtrans-91.8135.4-178.6-69.2170.5000110.5A134 A146A134-L138 WeakPolarHBondContact O-CD1 3.39Å; L138-A146 HydrophobicContact CD1-CB 3.69Å
139S83.5Confident85.4Confident66 Ų6646.8 Ų46.846%0.46225%0.246SC..  trans-58.7147.9170.362.50000110.9K141 N142 L143S139-K141 PolarHBondContact O-N 3.46Å; S139-N142 CarbonylContact O-C 3.58Å; S139-N142 WeakPolarHBondContact O-CA 3.38Å; S139-N142 PolarHBondContact O-N 3.41Å; S139-N142 PolarHBondContact OG-ND2 3.22Å; S139-N142 VanDerWaalsContact OG-ND2 3.12Å; S139-L143 PolarHBondContact O-N 3.02Å
140K79.5Confident85.3Confident158 Ų15847.2 Ų47.269%0.68725%0.247SC*.G310 helixtrans-47.3-41.4180-65.5-178.4-178.4174.60113.9N142 L143K140-N142 VanDerWaalsContact C-N 3.25Å; K140-N142 PolarHBondContact O-N 2.93Å; K140-L143 WeakPolarHBondContact O-CB 3.32Å; K140-L143 PolarHBondContact O-N 3.29Å
141K81.5Confident85.2Confident199 Ų19947.3 Ų47.387%0.86525%0.248SC*.G310 helixtrans-62.3-29.2177.3-175.3176.2178.21790113.7S139S139-K141 PolarHBondContact O-N 3.46Å
142N85Confident85.3Confident67 Ų6747.3 Ų47.336%0.35825%0.248SC..G310 helixtrans-104.48-176.6-67.2-34.4000113S139 K140 G144 W145S139-N142 CarbonylContact O-C 3.58Å; S139-N142 WeakPolarHBondContact O-CA 3.38Å; S139-N142 PolarHBondContact O-N 3.41Å; S139-N142 PolarHBondContact OG-ND2 3.22Å; S139-N142 VanDerWaalsContact OG-ND2 3.12Å; K140-N142 VanDerWaalsContact C-N 3.25Å; K140-N142 PolarHBondContact O-N 2.93Å; N142-G144 PolarHBondContact O-N 3.3Å; N142-W145 WeakPolarHBondContact O-CB 3.4Å; N142-W145 PolarHBondContact O-N 3.39Å
143L82.3Confident85.7Confident58 Ų5847.3 Ų47.330%0.30425%0.248SC..THydrogen-bonded Turntrans-60.1-30.9-178.3-171.564.4000112.4I135 S139 K140 W145 A146I135-L143 HydrophobicContact CB-CD1 4.17Å; I135-L143 HydrophobicContact CG2-CD1 4.17Å; S139-L143 PolarHBondContact O-N 3.02Å; K140-L143 WeakPolarHBondContact O-CB 3.32Å; K140-L143 PolarHBondContact O-N 3.29Å; L143-W145 PolarHBondContact O-N 2.92Å; L143-W145 VanDerWaalsContact O-N 3.13Å; L143-A146 WeakPolarHBondContact O-CB 3.48Å; L143-A146 PolarHBondContact O-N 3.08Å
144G78.9Confident85.9Confident30 Ų3048.9 Ų48.931%0.30926%0.256SS..Hα-helixtrans-61.8-17.217400000114.8N142 A146 S147 N472N142-G144 PolarHBondContact O-N 3.3Å; G144-A146 VanDerWaalsContact C-N 3.35Å; G144-S147 PolarHBondContact O-OG 3.14Å; G144-N472 WeakPolarHBondContact CA-ND2 3.33Å; G144-N472 PolarHBondContact O-ND2 2.8Å
145W86.2Confident86.1Confident96 Ų9649.6 Ų49.636%0.36426%0.259SS..Hα-helixtrans-81.3-13.4172.7-67.2104000113.2N142 L143 T148 C149 L465 T468N142-W145 WeakPolarHBondContact O-CB 3.4Å; N142-W145 PolarHBondContact O-N 3.39Å; L143-W145 PolarHBondContact O-N 2.92Å; L143-W145 VanDerWaalsContact O-N 3.13Å; W145-T148 HydrophobicContact CE3-CG2 4.12Å; W145-T148 HydrophobicContact CZ3-CG2 4.28Å; W145-T148 PolarHBondContact O-N 3.24Å; W145-C149 WeakPolarHBondContact O-CB 3.33Å; W145-C149 PolarHBondContact O-N 2.85Å; W145-C149 PolarHBondContact O-SG 3.48Å; W145-L465 HydrophobicContact CZ3-CD2 4.29Å; W145-T468 HydrophobicContact CE3-CG2 4.3Å; W145-T468 HydrophobicContact CZ3-CG2 4.44Å
146A86.1Confident86.6Confident7 Ų749.7 Ų49.76%0.05826%0.26CS..Hα-helixtrans-59.5-48.1176.300000110.7A134 L138 L143 G144 T148 C149 N150A134-A146 HydrophobicContact CB-CB 4.42Å; L138-A146 HydrophobicContact CD1-CB 3.69Å; L143-A146 WeakPolarHBondContact O-CB 3.48Å; L143-A146 PolarHBondContact O-N 3.08Å; G144-A146 VanDerWaalsContact C-N 3.35Å; A146-T148 VanDerWaalsContact C-N 3.29Å; A146-T148 PolarHBondContact O-N 3.42Å; A146-C149 PolarHBondContact O-N 2.95Å; A146-N150 WeakPolarHBondContact O-CB 3.41Å; A146-N150 PolarHBondContact O-N 3.44Å
147S85.7Confident87.3Confident2 Ų246.7 Ų46.71%0.01424%0.239CC..Hα-helixtrans-61.1-40177.560.70000112.1G144 N150 V151 V574G144-S147 PolarHBondContact O-OG 3.14Å; S147-N150 PolarHBondContact O-N 3.49Å; S147-V151 WeakPolarHBondContact O-CG2 3.14Å; S147-V151 PolarHBondContact O-N 2.92Å; S147-V574 VanDerWaalsContact CB-CG1 3.47Å
148T88.9Confident87.7Confident0 Ų046.3 Ų46.30%023%0.232CC..Hα-helixtrans-67.9-42.6178.7-52.30000110.9W145 A146 N150 V152 P464 L465 T468W145-T148 HydrophobicContact CE3-CG2 4.12Å; W145-T148 HydrophobicContact CZ3-CG2 4.28Å; W145-T148 PolarHBondContact O-N 3.24Å; A146-T148 VanDerWaalsContact C-N 3.29Å; A146-T148 PolarHBondContact O-N 3.42Å; T148-N150 VanDerWaalsContact C-N 3.31Å; T148-N150 PolarHBondContact O-N 3.26Å; T148-V152 HydrophobicContact CG2-CG2 4.1Å; T148-V152 VanDerWaalsContact O-CB 3.27Å; T148-V152 WeakPolarHBondContact O-CB 3.45Å; T148-V152 VanDerWaalsContact O-CG2 3.26Å; T148-V152 WeakPolarHBondContact O-CG2 3.29Å; T148-V152 PolarHBondContact O-N 3.38Å; T148-P464 HydrophobicContact CG2-CB 4.22Å; T148-L465 HydrophobicContact CG2-CD2 3.62Å; T148-L465 HydrophobicContact CG2-CG 4.37Å; T148-T468 WeakPolarHBondContact CG2-OG1 3.18Å; T148-T468 WeakPolarHBondContact OG1-CG2 3.38Å; T148-T468 PolarHBondContact OG1-OG1 3.12Å
149C90.5Very high88Confident27 Ų2744 Ų4418%0.18222%0.22CC..Hα-helixtrans-61.7-39.4174.8-74.10000112.7M1 Y4 W145 A146 G153M1-C149 HydrophobicContact CE-CB 4.25Å; M1-C149 HydrophobicContact SD-CB 4.34Å; M1-C149 VanDerWaalsContact SD-O 3.33Å; Y4-C149 WeakPolarHBondContact CB-O 3.4Å; Y4-C149 VanDerWaalsContact CD2-C 3.45Å; Y4-C149 HydrophobicContact CD2-CB 3.99Å; Y4-C149 VanDerWaalsContact CD2-O 3.29Å; Y4-C149 WeakPolarHBondContact CD2-O 3.01Å; Y4-C149 HydrophobicContact CE2-CB 4.13Å; W145-C149 WeakPolarHBondContact O-CB 3.33Å; W145-C149 PolarHBondContact O-N 2.85Å; W145-C149 PolarHBondContact O-SG 3.48Å; A146-C149 PolarHBondContact O-N 2.95Å; C149-G153 WeakPolarHBondContact O-CA 3.16Å; C149-G153 PolarHBondContact O-N 3.5Å
150N90.2Very high88.4Confident10 Ų1042 Ų425%0.05321%0.206CC..Hα-helixtrans-63.4-57.9176.8179-64.9000110.1Y4 D131 A146 S147 T148 G153 Q154Y4-N150 HydrophobicContact CD1-CB 4.28Å; Y4-N150 HydrophobicContact CD2-CB 4.26Å; Y4-N150 HydrophobicContact CE1-CB 3.93Å; Y4-N150 VanDerWaalsContact CE1-ND2 3.25Å; Y4-N150 WeakPolarHBondContact CE1-ND2 3.45Å; Y4-N150 HydrophobicContact CE2-CB 3.89Å; Y4-N150 HydrophobicContact CG-CB 4.44Å; D131-N150 PolarHBondContact OD1-ND2 2.81Å; A146-N150 WeakPolarHBondContact O-CB 3.41Å; A146-N150 PolarHBondContact O-N 3.44Å; S147-N150 PolarHBondContact O-N 3.49Å; T148-N150 VanDerWaalsContact C-N 3.31Å; T148-N150 PolarHBondContact O-N 3.26Å; N150-G153 PolarHBondContact O-N 3.36Å; N150-Q154 PolarHBondContact ND2-NE2 2.98Å; N150-Q154 WeakPolarHBondContact O-CB 3.08Å; N150-Q154 WeakPolarHBondContact O-CG 3.09Å; N150-Q154 PolarHBondContact O-N 3.36Å; N150-Q154 PolarHBondContact OD1-NE2 3.38Å
151V89Confident89.2Confident7 Ų734.5 Ų34.54%0.04217%0.173CC..Hα-helixtrans-62.4-51.1-176.4175.50000111.9S147 T155 P464 M570 V571 V574S147-V151 WeakPolarHBondContact O-CG2 3.14Å; S147-V151 PolarHBondContact O-N 2.92Å; V151-T155 VanDerWaalsContact O-CB 3.23Å; V151-T155 WeakPolarHBondContact O-CB 3.34Å; V151-T155 PolarHBondContact O-N 3.31Å; V151-T155 PolarHBondContact O-OG1 3.41Å; V151-P464 HydrophobicContact CG1-CG 4.08Å; V151-M570 HydrophobicContact CG1-CG 4.29Å; V151-M570 HydrophobicContact CG2-CG 3.76Å; V151-V571 HydrophobicContact CB-CG2 4.28Å; V151-V571 HydrophobicContact CG1-CG2 4.06Å; V151-V571 HydrophobicContact CG2-CG2 4.19Å; V151-V574 HydrophobicContact CG2-CG2 4.13Å
152V91.8Very high89.7Confident4 Ų425.7 Ų25.72%0.02414%0.135CC..Hα-helixtrans-66.2-45.8-177.7174.80000110.7M1 T148 T155 I156 A461 P464 L465M1-V152 HydrophobicContact CE-CB 3.95Å; M1-V152 HydrophobicContact CE-CG1 3.96Å; M1-V152 HydrophobicContact SD-CB 4.13Å; M1-V152 HydrophobicContact SD-CG1 4.13Å; T148-V152 HydrophobicContact CG2-CG2 4.1Å; T148-V152 VanDerWaalsContact O-CB 3.27Å; T148-V152 WeakPolarHBondContact O-CB 3.45Å; T148-V152 VanDerWaalsContact O-CG2 3.26Å; T148-V152 WeakPolarHBondContact O-CG2 3.29Å; T148-V152 PolarHBondContact O-N 3.38Å; V152-T155 PolarHBondContact O-N 3.47Å; V152-I156 HydrophobicContact CG1-CD1 3.68Å; V152-I156 HydrophobicContact CG1-CG1 4.4Å; V152-I156 VanDerWaalsContact O-CG1 3.27Å; V152-I156 WeakPolarHBondContact O-CG1 2.98Å; V152-I156 PolarHBondContact O-N 2.87Å; V152-A461 HydrophobicContact CG1-CB 4.33Å; V152-A461 WeakPolarHBondContact CG2-O 3.4Å; V152-P464 HydrophobicContact CG2-CB 3.56Å; V152-P464 HydrophobicContact CG2-CG 3.88Å; V152-L465 HydrophobicContact CG2-CD2 4.4Å; V152-L465 HydrophobicContact CG2-CG 4.27Å
153G94Very high89.9Confident0 Ų023 Ų230%012%0.12CC..Hα-helixtrans-60.7-55.3-179.300000111.4M1 Y4 I5 C149 N150 T155 I156 G157M1-G153 VanDerWaalsContact SD-CA 3.6Å; M1-G153 PolarHBondContact SD-N 3.29Å; M1-G153 VanDerWaalsContact SD-N 3.43Å; Y4-G153 CarbonylContact O-C 3.45Å; I5-G153 VanDerWaalsContact CA-O 3.23Å; I5-G153 WeakPolarHBondContact CA-O 3.44Å; C149-G153 WeakPolarHBondContact O-CA 3.16Å; C149-G153 PolarHBondContact O-N 3.5Å; N150-G153 PolarHBondContact O-N 3.36Å; G153-T155 VanDerWaalsContact C-N 3.29Å; G153-T155 PolarHBondContact O-N 2.82Å; G153-I156 PolarHBondContact O-N 3.16Å; G153-G157 PolarHBondContact O-N 2.77Å
154Q92.5Very high90.3Very high45 Ų4523.8 Ų23.821%0.2112%0.124CC..Hα-helixtrans-60.2-39.2179.8-70.6-174.727.100112Y4 N150 G157 Y158Y4-Q154 HydrophobicContact CD1-CG 4.25Å; Y4-Q154 VanDerWaalsContact O-CA 3.31Å; Y4-Q154 WeakPolarHBondContact O-CA 3.31Å; Y4-Q154 PolarHBondContact O-N 3.45Å; N150-Q154 PolarHBondContact ND2-NE2 2.98Å; N150-Q154 WeakPolarHBondContact O-CB 3.08Å; N150-Q154 WeakPolarHBondContact O-CG 3.09Å; N150-Q154 PolarHBondContact O-N 3.36Å; N150-Q154 PolarHBondContact OD1-NE2 3.38Å; Q154-G157 PolarHBondContact O-N 3.14Å; Q154-Y158 WeakPolarHBondContact O-CB 3.26Å; Q154-Y158 PolarHBondContact O-N 3.33Å
155T91.2Very high90.9Very high26 Ų2622.4 Ų22.416%0.1611%0.11CC..Hα-helixtrans-63.3-45.8177.3-580000111.5V151 V152 G153 G157 Y158 V159 Q460V151-T155 VanDerWaalsContact O-CB 3.23Å; V151-T155 WeakPolarHBondContact O-CB 3.34Å; V151-T155 PolarHBondContact O-N 3.31Å; V151-T155 PolarHBondContact O-OG1 3.41Å; V152-T155 PolarHBondContact O-N 3.47Å; G153-T155 VanDerWaalsContact C-N 3.29Å; G153-T155 PolarHBondContact O-N 2.82Å; T155-G157 VanDerWaalsContact C-N 3.33Å; T155-G157 PolarHBondContact O-N 3.02Å; T155-Y158 PolarHBondContact O-N 3.49Å; T155-V159 HydrophobicContact CG2-CG2 4.25Å; T155-V159 WeakPolarHBondContact O-CB 3.28Å; T155-V159 WeakPolarHBondContact O-CG2 2.99Å; T155-V159 PolarHBondContact O-N 3.44Å; T155-Q460 HydrophobicContact CG2-CB 3.5Å; T155-Q460 HydrophobicContact CG2-CG 4.38Å; T155-Q460 VanDerWaalsContact CG2-OE1 3.24Å
156I92.6Very high91.1Very high42 Ų4218.8 Ų18.822%0.21510%0.097CC..Hα-helixtrans-59.9-46.8177.5-70.1167.7000110.2I5 V152 G153 T160 M457 A461I5-I156 HydrophobicContact CD1-CG2 4.23Å; I5-I156 HydrophobicContact CG1-CB 4.25Å; I5-I156 HydrophobicContact CG1-CG2 4.24Å; I5-I156 HydrophobicContact CG2-CG2 4.15Å; V152-I156 HydrophobicContact CG1-CD1 3.68Å; V152-I156 HydrophobicContact CG1-CG1 4.4Å; V152-I156 VanDerWaalsContact O-CG1 3.27Å; V152-I156 WeakPolarHBondContact O-CG1 2.98Å; V152-I156 PolarHBondContact O-N 2.87Å; G153-I156 PolarHBondContact O-N 3.16Å; I156-T160 VanDerWaalsContact O-CB 3.25Å; I156-T160 WeakPolarHBondContact O-CB 3.33Å; I156-T160 PolarHBondContact O-N 2.92Å; I156-T160 PolarHBondContact O-OG1 3.43Å; I156-M457 HydrophobicContact CB-CE 4.34Å; I156-M457 HydrophobicContact CG1-CE 4.24Å; I156-M457 HydrophobicContact CG2-CE 4.09Å; I156-A461 HydrophobicContact CD1-CB 4.34Å; I156-A461 HydrophobicContact CG1-CB 4.14Å
157G95.2Very high91.2Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-59.2-53.517600000112.1I5 G8 I9 G153 Q154 T155 V159 T160 A161I5-G157 VanDerWaalsContact O-CA 3.25Å; I5-G157 WeakPolarHBondContact O-CA 3.34Å; G8-G157 VanDerWaalsContact C-C 3.5Å; G8-G157 CarbonylContact O-C 3.52Å; I9-G157 WeakPolarHBondContact CD1-O 3.38Å; G153-G157 PolarHBondContact O-N 2.77Å; Q154-G157 PolarHBondContact O-N 3.14Å; T155-G157 VanDerWaalsContact C-N 3.33Å; T155-G157 PolarHBondContact O-N 3.02Å; G157-V159 PolarHBondContact O-N 3.07Å; G157-T160 PolarHBondContact O-N 3.43Å; G157-A161 WeakPolarHBondContact O-CB 3.15Å; G157-A161 PolarHBondContact O-N 2.8Å
158Y93.4Very high91.5Very high77 Ų7720.3 Ų20.330%0.30211%0.105SC..Hα-helixtrans-53.5-51.6179.5174.4-94.6000111.8G8 I11 G12 A15 Q154 T155 T160 A161 F162G8-Y158 VanDerWaalsContact O-CA 3.28Å; G8-Y158 WeakPolarHBondContact O-CA 3.49Å; G8-Y158 PolarHBondContact O-N 3.46Å; I11-Y158 HydrophobicContact CB-CD2 4.36Å; I11-Y158 HydrophobicContact CG2-CD2 3.85Å; I11-Y158 HydrophobicContact CG2-CE2 4.27Å; G12-Y158 WeakPolarHBondContact CA-O 3.41Å; A15-Y158 HydrophobicContact CB-CE2 3.46Å; A15-Y158 VanDerWaalsContact CB-CE2 3.46Å; A15-Y158 WeakPolarHBondContact CB-OH 3.18Å; Q154-Y158 WeakPolarHBondContact O-CB 3.26Å; Q154-Y158 PolarHBondContact O-N 3.33Å; T155-Y158 PolarHBondContact O-N 3.49Å; Y158-T160 PolarHBondContact O-N 3.17Å; Y158-A161 PolarHBondContact O-N 3.1Å; Y158-F162 AromaticContact CE1-CD1 3.67Å; Y158-F162 HydrophobicContact CE1-CD1 3.67Å; Y158-F162 HydrophobicContact CE1-CE1 4.43Å; Y158-F162 AromaticContact CZ-CD1 3.64Å; Y158-F162 WeakPolarHBondContact O-CB 3.33Å; Y158-F162 PolarHBondContact O-N 3.24Å; Y158-F162 WeakPolarHBondContact OH-CD1 3.39Å
159V90.9Very high91.6Very high2 Ų221.4 Ų21.41%0.01211%0.11CC..Hα-helixtrans-67-38.6-178.6172.90000111.9T155 G157 I163 L164 M457T155-V159 HydrophobicContact CG2-CG2 4.25Å; T155-V159 WeakPolarHBondContact O-CB 3.28Å; T155-V159 WeakPolarHBondContact O-CG2 2.99Å; T155-V159 PolarHBondContact O-N 3.44Å; G157-V159 PolarHBondContact O-N 3.07Å; V159-I163 HydrophobicContact CG1-CB 3.99Å; V159-I163 HydrophobicContact CG1-CD1 3.96Å; V159-I163 HydrophobicContact CG1-CG1 4.01Å; V159-I163 HydrophobicContact CG2-CD1 4.29Å; V159-I163 WeakPolarHBondContact O-CA 3.22Å; V159-I163 WeakPolarHBondContact O-CB 3.48Å; V159-I163 PolarHBondContact O-N 3.48Å; V159-L164 PolarHBondContact O-N 3.09Å; V159-L164 VanDerWaalsContact O-N 3.1Å; V159-M457 HydrophobicContact CB-CE 4.35Å; V159-M457 HydrophobicContact CB-CG 3.99Å; V159-M457 HydrophobicContact CB-SD 4.17Å; V159-M457 HydrophobicContact CG1-CB 3.85Å; V159-M457 HydrophobicContact CG1-CE 4.26Å; V159-M457 HydrophobicContact CG1-CG 3.57Å; V159-M457 HydrophobicContact CG1-SD 3.49Å; V159-M457 WeakPolarHBondContact CG1-SD 3.47Å; V159-M457 HydrophobicContact CG2-CG 4.19Å
160T92.1Very high91.4Very high26 Ų2620.6 Ų20.616%0.1611%0.105CC..Iπ-helixtrans-63.3-44.8177.7-57.80000110.8I156 G157 Y158 L164 F165 W198I156-T160 VanDerWaalsContact O-CB 3.25Å; I156-T160 WeakPolarHBondContact O-CB 3.33Å; I156-T160 PolarHBondContact O-N 2.92Å; I156-T160 PolarHBondContact O-OG1 3.43Å; G157-T160 PolarHBondContact O-N 3.43Å; Y158-T160 PolarHBondContact O-N 3.17Å; T160-L164 HydrophobicContact CG2-CD2 3.91Å; T160-L164 WeakPolarHBondContact O-CB 3.45Å; T160-F165 PolarHBondContact O-N 3.07Å; T160-W198 HydrophobicContact CG2-CZ2 3.71Å
161A95.4Very high91.4Very high0 Ų021.8 Ų21.80%011%0.113CC..Iπ-helixtrans-79.5-24-178.200000114.6I9 L13 G157 Y158 F165I9-A161 HydrophobicContact CB-CB 4.29Å; I9-A161 HydrophobicContact CD1-CB 3.93Å; I9-A161 HydrophobicContact CG2-CB 4.03Å; I9-A161 WeakPolarHBondContact O-CB 3.17Å; L13-A161 HydrophobicContact CD2-CB 4.43Å; L13-A161 HydrophobicContact CG-CB 4.02Å; G157-A161 WeakPolarHBondContact O-CB 3.15Å; G157-A161 PolarHBondContact O-N 2.8Å; Y158-A161 PolarHBondContact O-N 3.1Å; A161-F165 WeakPolarHBondContact O-CB 3.18Å
162F92.5Very high91.2Very high13 Ų1325.8 Ų25.86%0.05713%0.134CC..Iπ-helixtrans-94.2-63.3177.9176.3-149.8000111.3G12 A15 S16 F19 Y158 L166G12-F162 WeakPolarHBondContact O-CA 3.34Å; G12-F162 WeakPolarHBondContact O-CB 3.48Å; A15-F162 HydrophobicContact CB-CD1 4.37Å; A15-F162 HydrophobicContact CB-CD2 4.43Å; A15-F162 HydrophobicContact CB-CG 4.22Å; S16-F162 VanDerWaalsContact CA-CD2 3.46Å; F19-F162 HydrophobicContact CB-CE2 3.99Å; F19-F162 HydrophobicContact CB-CZ 4.46Å; F19-F162 HydrophobicContact CD1-CE2 4.47Å; F19-F162 HydrophobicContact CD1-CZ 4.17Å; F19-F162 HydrophobicContact CD2-CE1 4.42Å; F19-F162 AromaticContact CD2-CE2 3.56Å; F19-F162 HydrophobicContact CD2-CE2 3.56Å; F19-F162 AromaticContact CD2-CZ 3.29Å; F19-F162 HydrophobicContact CD2-CZ 3.29Å; F19-F162 HydrophobicContact CE1-CZ 4.22Å; F19-F162 HydrophobicContact CE2-CE1 4.18Å; F19-F162 HydrophobicContact CE2-CE2 4.12Å; F19-F162 AromaticContact CE2-CZ 3.36Å; F19-F162 HydrophobicContact CE2-CZ 3.36Å; F19-F162 AromaticContact CG-CE2 3.75Å; F19-F162 HydrophobicContact CG-CE2 3.75Å; F19-F162 AromaticContact CG-CZ 3.72Å; F19-F162 HydrophobicContact CG-CZ 3.72Å; F19-F162 AromaticContact CZ-CZ 3.83Å; F19-F162 HydrophobicContact CZ-CZ 3.83Å; Y158-F162 AromaticContact CE1-CD1 3.67Å; Y158-F162 HydrophobicContact CE1-CD1 3.67Å; Y158-F162 HydrophobicContact CE1-CE1 4.43Å; Y158-F162 AromaticContact CZ-CD1 3.64Å; Y158-F162 WeakPolarHBondContact O-CB 3.33Å; Y158-F162 PolarHBondContact O-N 3.24Å; Y158-F162 WeakPolarHBondContact OH-CD1 3.39Å; F162-L166 HydrophobicContact CD2-CD1 3.88Å; F162-L166 HydrophobicContact CE2-CD1 3.49Å; F162-L166 VanDerWaalsContact CE2-CD1 3.49Å; F162-L166 HydrophobicContact CZ-CD1 4.41Å; F162-L166 VanDerWaalsContact O-CG 3.28Å; F162-L166 WeakPolarHBondContact O-CG 3.49Å; F162-L166 PolarHBondContact O-N 3.28Å
163I88.6Confident90.9Very high10 Ų1026.2 Ų26.25%0.05114%0.136CC..Iπ-helixtrans-87.1-49.8-163.5-48.5-164.6000111.8V159 F165 L166 C167 A450 G453 V454V159-I163 HydrophobicContact CG1-CB 3.99Å; V159-I163 HydrophobicContact CG1-CD1 3.96Å; V159-I163 HydrophobicContact CG1-CG1 4.01Å; V159-I163 HydrophobicContact CG2-CD1 4.29Å; V159-I163 WeakPolarHBondContact O-CA 3.22Å; V159-I163 WeakPolarHBondContact O-CB 3.48Å; V159-I163 PolarHBondContact O-N 3.48Å; I163-F165 VanDerWaalsContact C-N 3.26Å; I163-F165 PolarHBondContact O-N 2.88Å; I163-L166 PolarHBondContact O-N 3.45Å; I163-C167 PolarHBondContact O-N 3.08Å; I163-C167 PolarHBondContact O-SG 3.48Å; I163-A450 HydrophobicContact CG2-CB 4.09Å; I163-A450 WeakPolarHBondContact CG2-O 3.35Å; I163-G453 VanDerWaalsContact CD1-C 3.45Å; I163-G453 VanDerWaalsContact CD1-CA 3.44Å; I163-V454 HydrophobicContact CB-CG2 4.29Å; I163-V454 HydrophobicContact CG2-CB 4.31Å; I163-V454 HydrophobicContact CG2-CG2 3.22Å
164L89.8Confident90.6Very high76 Ų7626.2 Ų26.240%0.39814%0.136SC..Iπ-helixtrans-59.8-44.9176176.767.9000109V159 T160 L166 C167 L168V159-L164 PolarHBondContact O-N 3.09Å; V159-L164 VanDerWaalsContact O-N 3.1Å; T160-L164 HydrophobicContact CG2-CD2 3.91Å; T160-L164 WeakPolarHBondContact O-CB 3.45Å; L164-L166 PolarHBondContact O-N 2.8Å; L164-C167 WeakPolarHBondContact O-CB 3.44Å; L164-C167 PolarHBondContact O-N 3.2Å; L164-C167 VanDerWaalsContact O-N 3.13Å; L164-L168 HydrophobicContact CD1-CD1 4.06Å; L164-L168 HydrophobicContact CD1-CD2 4.14Å; L164-L168 HydrophobicContact CD1-CG 3.92Å; L164-L168 HydrophobicContact CD2-CD1 4.35Å; L164-L168 HydrophobicContact CG-CD1 3.86Å; L164-L168 HydrophobicContact CG-CG 4.08Å; L164-L168 VanDerWaalsContact O-CG 3.26Å; L164-L168 WeakPolarHBondContact O-CG 3.22Å; L164-L168 PolarHBondContact O-N 2.86Å
165F93.1Very high90.4Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-48.7-56.7172166.7-121.1000113M20 T160 A161 I163 C167 L168 E169 F191 F194M20-F165 HydrophobicContact CE-CZ 4.31Å; M20-F165 HydrophobicContact SD-CE1 3.7Å; M20-F165 HydrophobicContact SD-CZ 3.96Å; T160-F165 PolarHBondContact O-N 3.07Å; A161-F165 WeakPolarHBondContact O-CB 3.18Å; I163-F165 VanDerWaalsContact C-N 3.26Å; I163-F165 PolarHBondContact O-N 2.88Å; F165-C167 VanDerWaalsContact C-N 3.26Å; F165-C167 PolarHBondContact O-N 3.36Å; F165-L168 PolarHBondContact O-N 3.2Å; F165-L168 VanDerWaalsContact O-N 3.14Å; F165-E169 HydrophobicContact CD2-CB 4.2Å; F165-E169 HydrophobicContact CE2-CB 3.7Å; F165-E169 HydrophobicContact CE2-CG 3.94Å; F165-E169 HydrophobicContact CZ-CB 4.17Å; F165-E169 HydrophobicContact CZ-CG 4.12Å; F165-E169 VanDerWaalsContact O-CB 3.3Å; F165-E169 WeakPolarHBondContact O-CB 3.47Å; F165-E169 PolarHBondContact O-N 2.93Å; F165-F191 HydrophobicContact CE1-CD2 4.09Å; F165-F191 HydrophobicContact CE1-CE2 4.05Å; F165-F191 HydrophobicContact CE1-CG 4.41Å; F165-F191 HydrophobicContact CE1-CZ 4.31Å; F165-F191 HydrophobicContact CE2-CB 4Å; F165-F191 AromaticContact CE2-CD2 3.6Å; F165-F191 HydrophobicContact CE2-CD2 3.6Å; F165-F191 HydrophobicContact CE2-CE2 4.29Å; F165-F191 AromaticContact CE2-CG 3.92Å; F165-F191 HydrophobicContact CE2-CG 3.92Å; F165-F191 HydrophobicContact CZ-CB 3.87Å; F165-F191 AromaticContact CZ-CD1 3.95Å; F165-F191 HydrophobicContact CZ-CD1 3.95Å; F165-F191 AromaticContact CZ-CD2 3.31Å; F165-F191 HydrophobicContact CZ-CD2 3.31Å; F165-F191 HydrophobicContact CZ-CE1 4.31Å; F165-F191 AromaticContact CZ-CE2 3.75Å; F165-F191 HydrophobicContact CZ-CE2 3.75Å; F165-F191 AromaticContact CZ-CG 3.45Å; F165-F191 HydrophobicContact CZ-CG 3.45Å; F165-F191 VanDerWaalsContact CZ-CG 3.45Å; F165-F191 HydrophobicContact CZ-CZ 4.22Å; F165-F194 HydrophobicContact CB-CD1 4.19Å; F165-F194 HydrophobicContact CB-CE1 3.76Å; F165-F194 HydrophobicContact CB-CE2 4.12Å; F165-F194 HydrophobicContact CB-CZ 3.72Å; F165-F194 HydrophobicContact CD2-CB 3.99Å; F165-F194 AromaticContact CD2-CD1 3.71Å; F165-F194 HydrophobicContact CD2-CD1 3.71Å; F165-F194 HydrophobicContact CD2-CD2 4.13Å; F165-F194 HydrophobicContact CD2-CE1 4.19Å; F165-F194 AromaticContact CD2-CG 3.68Å; F165-F194 HydrophobicContact CD2-CG 3.68Å; F165-F194 HydrophobicContact CE2-CB 4.26Å; F165-F194 HydrophobicContact CE2-CD1 4.49Å; F165-F194 HydrophobicContact CE2-CG 4.41Å; F165-F194 HydrophobicContact CG-CD1 4.06Å; F165-F194 HydrophobicContact CG-CE1 4.1Å; F165-F194 HydrophobicContact CG-CG 4.4Å; F165-F194 HydrophobicContact CG-CZ 4.47Å
166L89.4Confident90.1Very high20 Ų2028.7 Ų28.711%0.10515%0.15CC..Hα-helixtrans-60.2-35179.9-74.4177.1000113F19 M20 F162 I163 L164 S170 A450F19-L166 HydrophobicContact CB-CD1 4.11Å; M20-L166 HydrophobicContact CG-CD2 3.63Å; M20-L166 HydrophobicContact SD-CD2 4.31Å; F162-L166 HydrophobicContact CD2-CD1 3.88Å; F162-L166 HydrophobicContact CE2-CD1 3.49Å; F162-L166 VanDerWaalsContact CE2-CD1 3.49Å; F162-L166 HydrophobicContact CZ-CD1 4.41Å; F162-L166 VanDerWaalsContact O-CG 3.28Å; F162-L166 WeakPolarHBondContact O-CG 3.49Å; F162-L166 PolarHBondContact O-N 3.28Å; I163-L166 PolarHBondContact O-N 3.45Å; L164-L166 PolarHBondContact O-N 2.8Å; L166-S170 VanDerWaalsContact O-CB 3.28Å; L166-S170 WeakPolarHBondContact O-CB 3.4Å; L166-S170 PolarHBondContact O-N 2.91Å; L166-S170 VanDerWaalsContact O-N 3.11Å; L166-A450 HydrophobicContact CB-CB 4.37Å; L166-A450 HydrophobicContact CD1-CB 4.36Å
167C88.7Confident89.8Confident10 Ų1034.2 Ų34.27%0.06817%0.169CC..Hα-helixtrans-67.9-41.8176.3-64.80000112.3I163 L164 F165 I173I163-C167 PolarHBondContact O-N 3.08Å; I163-C167 PolarHBondContact O-SG 3.48Å; L164-C167 WeakPolarHBondContact O-CB 3.44Å; L164-C167 PolarHBondContact O-N 3.2Å; L164-C167 VanDerWaalsContact O-N 3.13Å; F165-C167 VanDerWaalsContact C-N 3.26Å; F165-C167 PolarHBondContact O-N 3.36Å; C167-I173 HydrophobicContact CB-CD1 4.24Å; C167-I173 HydrophobicContact CB-CG2 4.16Å
168L91.3Very high89.4Confident31 Ų3138.3 Ų38.316%0.16219%0.191CC..Hα-helixtrans-75.8-29.2179.6-61.6-175.7000112.7L164 F165 S174 L178 L188 I189L164-L168 HydrophobicContact CD1-CD1 4.06Å; L164-L168 HydrophobicContact CD1-CD2 4.14Å; L164-L168 HydrophobicContact CD1-CG 3.92Å; L164-L168 HydrophobicContact CD2-CD1 4.35Å; L164-L168 HydrophobicContact CG-CD1 3.86Å; L164-L168 HydrophobicContact CG-CG 4.08Å; L164-L168 VanDerWaalsContact O-CG 3.26Å; L164-L168 WeakPolarHBondContact O-CG 3.22Å; L164-L168 PolarHBondContact O-N 2.86Å; F165-L168 PolarHBondContact O-N 3.2Å; F165-L168 VanDerWaalsContact O-N 3.14Å; L168-S174 PolarHBondContact O-OG 3.39Å; L168-L178 HydrophobicContact CD2-CD1 3.66Å; L168-L188 HydrophobicContact CD2-CD2 3.78Å; L168-L188 PolarHBondContact O-N 3.24Å; L168-I189 HydrophobicContact CB-CG2 3.63Å; L168-I189 HydrophobicContact CD1-CG2 4.44Å; L168-I189 PolarHBondContact O-N 3.12Å; L168-I189 VanDerWaalsContact O-N 3.15Å
169E91.1Very high89.1Confident23 Ų2337 Ų3711%0.10719%0.185CC..Hα-helixtrans-79.8-34179.7-174-98.7-170.100112.6M20 R92 F165 P171 G187 I189M20-E169 WeakPolarHBondContact CE-OE1 3.24Å; R92-E169 IonicContact CZ-OE1 3.95Å; R92-E169 IonicContact NH2-OE1 3.5Å; R92-E169 PolarHBondContact NH2-OE1 3Å; F165-E169 HydrophobicContact CD2-CB 4.2Å; F165-E169 HydrophobicContact CE2-CB 3.7Å; F165-E169 HydrophobicContact CE2-CG 3.94Å; F165-E169 HydrophobicContact CZ-CB 4.17Å; F165-E169 HydrophobicContact CZ-CG 4.12Å; F165-E169 VanDerWaalsContact O-CB 3.3Å; F165-E169 WeakPolarHBondContact O-CB 3.47Å; F165-E169 PolarHBondContact O-N 2.93Å; E169-P171 VanDerWaalsContact O-CD 3.28Å; E169-P171 WeakPolarHBondContact O-CD 3.39Å; E169-G187 WeakPolarHBondContact O-CA 3.38Å; E169-I189 WeakPolarHBondContact CA-O 3.34Å
170S87.4Confident89Confident10 Ų1049 Ų497%0.0723%0.231CC..  trans-65.8120.3-179.9179.20000112.1L166 N172 I173 S174L166-S170 VanDerWaalsContact O-CB 3.28Å; L166-S170 WeakPolarHBondContact O-CB 3.4Å; L166-S170 PolarHBondContact O-N 2.91Å; L166-S170 VanDerWaalsContact O-N 3.11Å; S170-N172 VanDerWaalsContact C-N 3.26Å; S170-N172 PolarHBondContact O-N 3.21Å; S170-N172 PolarHBondContact OG-N 2.63Å; S170-I173 PolarHBondContact O-N 3.46Å; S170-I173 PolarHBondContact OG-N 2.91Å; S170-S174 VanDerWaalsContact O-CB 3.25Å; S170-S174 WeakPolarHBondContact O-CB 3.39Å; S170-S174 PolarHBondContact O-N 3.45Å; S170-S174 PolarHBondContact O-OG 2.93Å
171P89.1Confident88.8Confident36 Ų3652.9 Ų52.923%0.23425%0.254CS..Hα-helixtrans-59.1-37.5172.2-2535.1000112.8W98 E169 N175W98-P171 HydrophobicContact CB-CG 4.19Å; W98-P171 HydrophobicContact CG-CG 4.4Å; E169-P171 VanDerWaalsContact O-CD 3.28Å; E169-P171 WeakPolarHBondContact O-CD 3.39Å; P171-N175 VanDerWaalsContact O-CB 3.29Å; P171-N175 WeakPolarHBondContact O-CB 3.33Å; P171-N175 VanDerWaalsContact O-CG 3.3Å; P171-N175 PolarHBondContact O-N 3.37Å; P171-N175 PolarHBondContact O-ND2 3.49Å
172N84.8Confident88.5Confident90 Ų9057.5 Ų57.548%0.48128%0.284SS..Hα-helixtrans-66.7-48.4-178.7-174.349.8000111.7S170 N176S170-N172 VanDerWaalsContact C-N 3.26Å; S170-N172 PolarHBondContact O-N 3.21Å; S170-N172 PolarHBondContact OG-N 2.63Å; N172-N176 VanDerWaalsContact O-CB 3.27Å; N172-N176 WeakPolarHBondContact O-CB 3.23Å; N172-N176 VanDerWaalsContact O-CG 3.23Å; N172-N176 PolarHBondContact O-N 2.99Å; N172-N176 VanDerWaalsContact O-N 3.13Å; N172-N176 PolarHBondContact O-ND2 3.23Å; N172-N176 PolarHBondContact OD1-ND2 2.94Å
173I85.5Confident88.3Confident13 Ų1360.6 Ų60.67%0.06730%0.301CS..Hα-helixtrans-65.7-46.7177.5-65.1170.7000110.2C167 S170 N175 N176 Y177 L178 E447C167-I173 HydrophobicContact CB-CD1 4.24Å; C167-I173 HydrophobicContact CB-CG2 4.16Å; S170-I173 PolarHBondContact O-N 3.46Å; S170-I173 PolarHBondContact OG-N 2.91Å; I173-N175 VanDerWaalsContact C-N 3.33Å; I173-N175 PolarHBondContact O-N 3.48Å; I173-N176 PolarHBondContact O-N 3Å; I173-Y177 HydrophobicContact CB-CD2 4.49Å; I173-Y177 HydrophobicContact CG2-CD2 4.15Å; I173-Y177 PolarHBondContact O-N 2.99Å; I173-L178 HydrophobicContact CG2-CD1 4.47Å; I173-E447 HydrophobicContact CD1-CB 3.69Å; I173-E447 HydrophobicContact CD1-CG 3.92Å; I173-E447 HydrophobicContact CG1-CB 3.99Å; I173-E447 HydrophobicContact CG1-CG 4.1Å
174S88.2Confident88.2Confident0 Ų069.1 Ų69.10%034%0.34CS..Iπ-helixtrans-59.2-43.8-176.5-65.50000112.2L168 S170 L178 R179 L188L168-S174 PolarHBondContact O-OG 3.39Å; S170-S174 VanDerWaalsContact O-CB 3.25Å; S170-S174 WeakPolarHBondContact O-CB 3.39Å; S170-S174 PolarHBondContact O-N 3.45Å; S170-S174 PolarHBondContact O-OG 2.93Å; S174-L178 PolarHBondContact O-N 3.37Å; S174-R179 WeakPolarHBondContact O-CB 3.21Å; S174-R179 PolarHBondContact O-N 3.48Å; S174-L188 PolarHBondContact OG-N 3.4Å
175N88.6Confident87.9Confident22 Ų2267.4 Ų67.412%0.11834%0.341CS..Iπ-helixtrans-79.9-29.9-177.7-70-37.4000114P171 I173 R179 P182 I183P171-N175 VanDerWaalsContact O-CB 3.29Å; P171-N175 WeakPolarHBondContact O-CB 3.33Å; P171-N175 VanDerWaalsContact O-CG 3.3Å; P171-N175 PolarHBondContact O-N 3.37Å; P171-N175 PolarHBondContact O-ND2 3.49Å; I173-N175 VanDerWaalsContact C-N 3.33Å; I173-N175 PolarHBondContact O-N 3.48Å; N175-R179 WeakPolarHBondContact OD1-CD 3.36Å; N175-R179 PolarHBondContact OD1-NH1 3.26Å; N175-P182 HydrophobicContact CB-CB 3.95Å; N175-I183 PolarHBondContact ND2-O 2.9Å; N175-I183 PolarHBondContact OD1-N 3.47Å; N175-I183 PolarHBondContact OD1-O 2.93Å
176N85.5Confident87.7Confident102 Ų10272 Ų7255%0.54536%0.361SS..Iπ-helixtrans-89.7-26.6-176.9-65.7-17000113.6N172 I173N172-N176 VanDerWaalsContact O-CB 3.27Å; N172-N176 WeakPolarHBondContact O-CB 3.23Å; N172-N176 VanDerWaalsContact O-CG 3.23Å; N172-N176 PolarHBondContact O-N 2.99Å; N172-N176 VanDerWaalsContact O-N 3.13Å; N172-N176 PolarHBondContact O-ND2 3.23Å; N172-N176 PolarHBondContact OD1-ND2 2.94Å; I173-N176 PolarHBondContact O-N 3Å
177Y84.7Confident87.8Confident158 Ų15871.1 Ų71.162%0.6236%0.356SS*.Iπ-helixtrans-126-25-171.5-57.5-78.7000115.1I173I173-Y177 HydrophobicContact CB-CD2 4.49Å; I173-Y177 HydrophobicContact CG2-CD2 4.15Å; I173-Y177 PolarHBondContact O-N 2.99Å
178L86.8Confident88Confident86 Ų8675.1 Ų75.145%0.4538%0.376SS..Iπ-helixtrans-109-38.5-172.5-59.5178.1000113.5L168 I173 S174L168-L178 HydrophobicContact CD2-CD1 3.66Å; I173-L178 HydrophobicContact CG2-CD1 4.47Å; S174-L178 PolarHBondContact O-N 3.37Å
179R87.2Confident88.2Confident50 Ų5075.7 Ų75.719%0.18938%0.379CS..  trans-88.5135.8-179.7-74.1-174.6175142.61.1111.2S174 N175 K186 G187S174-R179 WeakPolarHBondContact O-CB 3.21Å; S174-R179 PolarHBondContact O-N 3.48Å; N175-R179 WeakPolarHBondContact OD1-CD 3.36Å; N175-R179 PolarHBondContact OD1-NH1 3.26Å; R179-K186 PolarHBondContact NH1-O 3.49Å; R179-G187 PolarHBondContact NH2-O 3.36Å
180W89.1Confident88.4Confident254 Ų25475.9 Ų75.996%0.96238%0.382SS*.SBendtrans-68.4-39.3167-65.5108.3000112.3
181T89Confident88.8Confident106 Ų10675.4 Ų75.465%0.6538%0.379SS*.SBendtrans-115.7114.817654.90000110
182P88.2Confident89.2Confident98 Ų9874.6 Ų74.664%0.63637%0.374SS*.  trans-68.4140.8-177.727.9-34.2000111.3N175N175-P182 HydrophobicContact CB-CB 3.95Å
183I89.3Confident89.8Confident78 Ų7871.3 Ų71.340%0.436%0.361SS..  trans-119.8116.6173.4-53.7173.2000107.8N175 G185 K186N175-I183 PolarHBondContact ND2-O 2.9Å; N175-I183 PolarHBondContact OD1-N 3.47Å; N175-I183 PolarHBondContact OD1-O 2.93Å; I183-G185 PolarHBondContact O-N 3.38Å; I183-K186 HydrophobicContact CG2-CB 4.39Å; I183-K186 HydrophobicContact CG2-CD 4.06Å; I183-K186 HydrophobicContact CG2-CG 4.4Å; I183-K186 PolarHBondContact O-N 3.42Å
184E85Confident90.4Very high188 Ų18871 Ų7188%0.87936%0.359SS*.THydrogen-bonded Turntrans-56.2133.2-173.7-165.8176.2178.800112.3K186E184-K186 PolarHBondContact O-N 2.77Å; E184-K186 VanDerWaalsContact O-N 3.12Å
185G83.9Confident90.8Very high40 Ų4071 Ų7141%0.41236%0.359SS..THydrogen-bonded Turntrans70.40.7173.200000117.2W98 I183W98-G185 WeakPolarHBondContact CB-O 3.27Å; I183-G185 PolarHBondContact O-N 3.38Å
186K90.1Very high91.3Very high98 Ų9874 Ų7443%0.42637%0.37SS..  trans-116.7131.4-175.6-60.7-173.7-179.1177.40113.3W98 R179 I183 E184W98-K186 HydrophobicContact CD2-CB 4.2Å; W98-K186 HydrophobicContact CD2-CG 4.35Å; W98-K186 HydrophobicContact CE3-CB 4.04Å; W98-K186 HydrophobicContact CE3-CD 4.31Å; W98-K186 HydrophobicContact CE3-CG 3.72Å; W98-K186 HydrophobicContact CH2-CB 4.21Å; W98-K186 HydrophobicContact CH2-CD 4.21Å; W98-K186 HydrophobicContact CH2-CG 4.26Å; W98-K186 HydrophobicContact CZ2-CB 4.34Å; W98-K186 HydrophobicContact CZ3-CB 4.07Å; W98-K186 HydrophobicContact CZ3-CD 3.77Å; W98-K186 HydrophobicContact CZ3-CG 3.69Å; R179-K186 PolarHBondContact NH1-O 3.49Å; I183-K186 HydrophobicContact CG2-CB 4.39Å; I183-K186 HydrophobicContact CG2-CD 4.06Å; I183-K186 HydrophobicContact CG2-CG 4.4Å; I183-K186 PolarHBondContact O-N 3.42Å; E184-K186 PolarHBondContact O-N 2.77Å; E184-K186 VanDerWaalsContact O-N 3.12Å
187G91Very high91.9Very high0 Ų074.5 Ų74.50%037%0.367CS..  trans-74.1176164.500000112.6W98 E169 R179W98-G187 VanDerWaalsContact CD1-N 3.3Å; W98-G187 WeakPolarHBondContact CZ2-O 3.15Å; W98-G187 VanDerWaalsContact NE1-N 3.11Å; E169-G187 WeakPolarHBondContact O-CA 3.38Å; R179-G187 PolarHBondContact NH2-O 3.36Å
188L92.6Very high92.6Very high94 Ų9468.1 Ų68.149%0.49234%0.342SS..SBendtrans-71.4-40.5176.1-168.170.9000111.8L168 S174L168-L188 HydrophobicContact CD2-CD2 3.78Å; L168-L188 PolarHBondContact O-N 3.24Å; S174-L188 PolarHBondContact OG-N 3.4Å
189I94.9Very high93.1Very high44 Ų4464 Ų6423%0.22632%0.32CS..SBendtrans-132.5143.2177.6-160.6166.5000110.1W98 L168 E169 F194W98-I189 PolarHBondContact NE1-O 2.74Å; L168-I189 HydrophobicContact CB-CG2 3.63Å; L168-I189 HydrophobicContact CD1-CG2 4.44Å; L168-I189 PolarHBondContact O-N 3.12Å; L168-I189 VanDerWaalsContact O-N 3.15Å; E169-I189 WeakPolarHBondContact CA-O 3.34Å; I189-F194 HydrophobicContact CD1-CB 4.02Å; I189-F194 HydrophobicContact CD1-CD2 4.2Å; I189-F194 HydrophobicContact CG1-CB 4.34Å; I189-F194 HydrophobicContact CG2-CB 4.27Å; I189-F194 HydrophobicContact CG2-CD2 4.22Å
190T95.6Very high93.6Very high27 Ų2765.4 Ų65.417%0.16633%0.334CS..  trans-79.1158.4169.961.30000109.6P97 W98 S192 G193 F194P97-T190 HydrophobicContact CB-CG2 3.77Å; P97-T190 HydrophobicContact CG-CG2 3.6Å; W98-T190 HydrophobicContact CD2-CG2 4.14Å; W98-T190 HydrophobicContact CE3-CG2 4.4Å; W98-T190 HydrophobicContact CH2-CG2 3.62Å; W98-T190 HydrophobicContact CZ2-CG2 3.3Å; W98-T190 HydrophobicContact CZ3-CG2 4.15Å; T190-S192 VanDerWaalsContact C-N 3.31Å; T190-S192 PolarHBondContact O-N 2.74Å; T190-G193 PolarHBondContact O-N 2.9Å; T190-G193 VanDerWaalsContact O-N 3.14Å; T190-G193 PolarHBondContact OG1-N 2.9Å; T190-F194 PolarHBondContact O-N 3.43Å
191F95.7Very high94Very high0 Ų054.9 Ų54.90%030%0.298CS..Hα-helixtrans-58.1-45.1174.2-168.3-178.7000112L13 I17 M20 I86 L90 F116 F165 G193 F194 L195L13-F191 HydrophobicContact CD2-CE2 4.21Å; I17-F191 HydrophobicContact CD1-CE1 3.48Å; I17-F191 VanDerWaalsContact CD1-CE1 3.48Å; I17-F191 HydrophobicContact CD1-CZ 3.64Å; M20-F191 HydrophobicContact CE-CD1 3.95Å; M20-F191 HydrophobicContact CE-CE1 4.33Å; M20-F191 HydrophobicContact SD-CD1 4.12Å; M20-F191 HydrophobicContact SD-CE1 3.94Å; I86-F191 HydrophobicContact CD1-CD1 4.29Å; I86-F191 HydrophobicContact CD1-CE1 3.74Å; I86-F191 HydrophobicContact CD1-CZ 4.15Å; I86-F191 HydrophobicContact CG1-CD1 3.47Å; I86-F191 VanDerWaalsContact CG1-CD1 3.47Å; I86-F191 HydrophobicContact CG1-CE1 3.43Å; I86-F191 VanDerWaalsContact CG1-CE1 3.43Å; I86-F191 HydrophobicContact CG1-CG 4.06Å; I86-F191 HydrophobicContact CG1-CZ 3.98Å; I86-F191 HydrophobicContact CG2-CG 4.46Å; L90-F191 HydrophobicContact CD1-CD1 3.67Å; L90-F191 HydrophobicContact CD1-CE1 3.96Å; F116-F191 HydrophobicContact CZ-CZ 4.17Å; F165-F191 HydrophobicContact CE1-CD2 4.09Å; F165-F191 HydrophobicContact CE1-CE2 4.05Å; F165-F191 HydrophobicContact CE1-CG 4.41Å; F165-F191 HydrophobicContact CE1-CZ 4.31Å; F165-F191 HydrophobicContact CE2-CB 4Å; F165-F191 AromaticContact CE2-CD2 3.6Å; F165-F191 HydrophobicContact CE2-CD2 3.6Å; F165-F191 HydrophobicContact CE2-CE2 4.29Å; F165-F191 AromaticContact CE2-CG 3.92Å; F165-F191 HydrophobicContact CE2-CG 3.92Å; F165-F191 HydrophobicContact CZ-CB 3.87Å; F165-F191 AromaticContact CZ-CD1 3.95Å; F165-F191 HydrophobicContact CZ-CD1 3.95Å; F165-F191 AromaticContact CZ-CD2 3.31Å; F165-F191 HydrophobicContact CZ-CD2 3.31Å; F165-F191 HydrophobicContact CZ-CE1 4.31Å; F165-F191 AromaticContact CZ-CE2 3.75Å; F165-F191 HydrophobicContact CZ-CE2 3.75Å; F165-F191 AromaticContact CZ-CG 3.45Å; F165-F191 HydrophobicContact CZ-CG 3.45Å; F165-F191 VanDerWaalsContact CZ-CG 3.45Å; F165-F191 HydrophobicContact CZ-CZ 4.22Å; F191-G193 PolarHBondContact O-N 3.21Å; F191-F194 PolarHBondContact O-N 3.25Å; F191-L195 HydrophobicContact CD2-CD1 3.98Å; F191-L195 HydrophobicContact CD2-CD2 4.44Å; F191-L195 HydrophobicContact CD2-CG 3.88Å; F191-L195 HydrophobicContact CE2-CD1 3.85Å; F191-L195 HydrophobicContact CE2-CD2 3.88Å; F191-L195 HydrophobicContact CE2-CG 3.79Å; F191-L195 HydrophobicContact CZ-CD1 4.48Å; F191-L195 WeakPolarHBondContact O-CG 3.42Å; F191-L195 PolarHBondContact O-N 3.19Å
192S97.1Very high94.5Very high18 Ų1849.8 Ų49.813%0.12627%0.267CS..Hα-helixtrans-53.7-49.1172174.60000112.3A83 T190 F194 L195 Y196A83-S192 WeakPolarHBondContact CB-O 3.47Å; A83-S192 WeakPolarHBondContact O-CB 3.25Å; A83-S192 PolarHBondContact O-OG 3.14Å; T190-S192 VanDerWaalsContact C-N 3.31Å; T190-S192 PolarHBondContact O-N 2.74Å; S192-F194 VanDerWaalsContact C-N 3.33Å; S192-F194 PolarHBondContact O-N 3Å; S192-L195 PolarHBondContact O-N 3.11Å; S192-Y196 VanDerWaalsContact O-CD2 3.22Å; S192-Y196 WeakPolarHBondContact O-CD2 3.4Å; S192-Y196 PolarHBondContact O-N 3.13Å; S192-Y196 WeakPolarHBondContact OG-CE2 3.28Å
193G97.4Very high94.9Very high21 Ų2147.1 Ų47.122%0.21625%0.246CC..Hα-helixtrans-60.7-39.417800000113.5T190 F191 Y196 F197T190-G193 PolarHBondContact O-N 2.9Å; T190-G193 VanDerWaalsContact O-N 3.14Å; T190-G193 PolarHBondContact OG1-N 2.9Å; F191-G193 PolarHBondContact O-N 3.21Å; G193-Y196 PolarHBondContact O-N 3.42Å; G193-F197 PolarHBondContact O-N 2.75Å
194F97.9Very high95.3Very high7 Ų747.4 Ų47.43%0.03125%0.251CS..Hα-helixtrans-66-38.6177.3-169.8-96.6000112.1L13 F165 I189 T190 F191 S192 F197 W198L13-F194 HydrophobicContact CD2-CD1 3.86Å; L13-F194 HydrophobicContact CD2-CE1 3.74Å; F165-F194 HydrophobicContact CB-CD1 4.19Å; F165-F194 HydrophobicContact CB-CE1 3.76Å; F165-F194 HydrophobicContact CB-CE2 4.12Å; F165-F194 HydrophobicContact CB-CZ 3.72Å; F165-F194 HydrophobicContact CD2-CB 3.99Å; F165-F194 AromaticContact CD2-CD1 3.71Å; F165-F194 HydrophobicContact CD2-CD1 3.71Å; F165-F194 HydrophobicContact CD2-CD2 4.13Å; F165-F194 HydrophobicContact CD2-CE1 4.19Å; F165-F194 AromaticContact CD2-CG 3.68Å; F165-F194 HydrophobicContact CD2-CG 3.68Å; F165-F194 HydrophobicContact CE2-CB 4.26Å; F165-F194 HydrophobicContact CE2-CD1 4.49Å; F165-F194 HydrophobicContact CE2-CG 4.41Å; F165-F194 HydrophobicContact CG-CD1 4.06Å; F165-F194 HydrophobicContact CG-CE1 4.1Å; F165-F194 HydrophobicContact CG-CG 4.4Å; F165-F194 HydrophobicContact CG-CZ 4.47Å; I189-F194 HydrophobicContact CD1-CB 4.02Å; I189-F194 HydrophobicContact CD1-CD2 4.2Å; I189-F194 HydrophobicContact CG1-CB 4.34Å; I189-F194 HydrophobicContact CG2-CB 4.27Å; I189-F194 HydrophobicContact CG2-CD2 4.22Å; T190-F194 PolarHBondContact O-N 3.43Å; F191-F194 PolarHBondContact O-N 3.25Å; S192-F194 VanDerWaalsContact C-N 3.33Å; S192-F194 PolarHBondContact O-N 3Å; F194-F197 PolarHBondContact O-N 2.98Å; F194-W198 AromaticContact CD1-CD1 3.76Å; F194-W198 AromaticContact CE1-CD1 3.35Å; F194-W198 AromaticContact CE1-NE1 3.4Å; F194-W198 AromaticContact CE2-NE1 3.68Å; F194-W198 AromaticContact CZ-CD1 3.57Å; F194-W198 AromaticContact CZ-NE1 3.1Å; F194-W198 PolarHBondContact O-N 3.45Å; F194-W198 VanDerWaalsContact O-N 3.16Å
195L98.2Very high95.9Very high0 Ų040.3 Ų40.30%022%0.221CC..Hα-helixtrans-67.2-43175.3-68174.1000112L13 L79 L82 A83 I86 F191 S192 F197 W198 G199L13-L195 HydrophobicContact CD1-CD2 3.69Å; L13-L195 HydrophobicContact CD2-CD2 3.89Å; L13-L195 HydrophobicContact CG-CD2 4.41Å; L79-L195 HydrophobicContact CD2-CD2 3.77Å; L82-L195 HydrophobicContact CB-CD1 4.03Å; A83-L195 HydrophobicContact CB-CB 3.73Å; I86-L195 HydrophobicContact CB-CD1 4.03Å; I86-L195 HydrophobicContact CG1-CD1 4.14Å; I86-L195 HydrophobicContact CG2-CD1 3.94Å; F191-L195 HydrophobicContact CD2-CD1 3.98Å; F191-L195 HydrophobicContact CD2-CD2 4.44Å; F191-L195 HydrophobicContact CD2-CG 3.88Å; F191-L195 HydrophobicContact CE2-CD1 3.85Å; F191-L195 HydrophobicContact CE2-CD2 3.88Å; F191-L195 HydrophobicContact CE2-CG 3.79Å; F191-L195 HydrophobicContact CZ-CD1 4.48Å; F191-L195 WeakPolarHBondContact O-CG 3.42Å; F191-L195 PolarHBondContact O-N 3.19Å; S192-L195 PolarHBondContact O-N 3.11Å; L195-F197 VanDerWaalsContact C-N 3.34Å; L195-F197 PolarHBondContact O-N 3.22Å; L195-W198 PolarHBondContact O-N 3.13Å; L195-G199 PolarHBondContact O-N 3.28Å
196Y98.3Very high96.5Very high86 Ų8638.4 Ų38.434%0.33720%0.202SC..Hα-helixtrans-59.2-44.9173.5-78.7-63.7000112.1I80 A83 N84 S192 G193 W198 G199 V200I80-Y196 HydrophobicContact CB-CD1 4.47Å; I80-Y196 HydrophobicContact CG1-CD1 4.35Å; I80-Y196 HydrophobicContact CG2-CD1 4.14Å; I80-Y196 HydrophobicContact CG2-CE1 3.9Å; A83-Y196 HydrophobicContact CB-CD1 3.78Å; A83-Y196 HydrophobicContact CB-CD2 3.5Å; A83-Y196 VanDerWaalsContact CB-CD2 3.5Å; A83-Y196 HydrophobicContact CB-CE1 3.78Å; A83-Y196 HydrophobicContact CB-CE2 3.49Å; A83-Y196 VanDerWaalsContact CB-CE2 3.49Å; A83-Y196 HydrophobicContact CB-CG 3.64Å; N84-Y196 PolarHBondContact ND2-OH 2.93Å; N84-Y196 PolarHBondContact OD1-OH 3.02Å; S192-Y196 VanDerWaalsContact O-CD2 3.22Å; S192-Y196 WeakPolarHBondContact O-CD2 3.4Å; S192-Y196 PolarHBondContact O-N 3.13Å; S192-Y196 WeakPolarHBondContact OG-CE2 3.28Å; G193-Y196 PolarHBondContact O-N 3.42Å; Y196-W198 PolarHBondContact O-N 3.23Å; Y196-G199 PolarHBondContact O-N 3.01Å; Y196-V200 WeakPolarHBondContact O-CG2 3.3Å; Y196-V200 PolarHBondContact O-N 3.22Å
197F98.2Very high96.7Very high112 Ų11236.6 Ų36.649%0.49120%0.198SC..Hα-helixtrans-56.4-49.1178.5169.4-97.1000111.6G193 F194 L195 T201G193-F197 PolarHBondContact O-N 2.75Å; F194-F197 PolarHBondContact O-N 2.98Å; L195-F197 VanDerWaalsContact C-N 3.34Å; L195-F197 PolarHBondContact O-N 3.22Å; F197-T201 WeakPolarHBondContact O-CB 3.49Å; F197-T201 PolarHBondContact O-N 3.24Å; F197-T201 PolarHBondContact O-OG1 3.41Å
198W98.1Very high96.9Very high24 Ų2439.1 Ų39.19%0.09122%0.216CC..Hα-helixtrans-69.3-38.4177.4-80.2108.2000112.3L6 I9 L79 T160 F194 L195 Y196 V200 T201 F202L6-W198 HydrophobicContact CD2-CZ3 4.05Å; I9-W198 HydrophobicContact CB-CE3 4.49Å; I9-W198 HydrophobicContact CD1-CD2 4.02Å; I9-W198 HydrophobicContact CD1-CE3 4.08Å; I9-W198 HydrophobicContact CD1-CH2 3.42Å; I9-W198 VanDerWaalsContact CD1-CH2 3.42Å; I9-W198 HydrophobicContact CD1-CZ2 3.34Å; I9-W198 HydrophobicContact CD1-CZ3 3.79Å; I9-W198 HydrophobicContact CG1-CD2 4.08Å; I9-W198 HydrophobicContact CG1-CE3 3.8Å; I9-W198 HydrophobicContact CG1-CH2 3.87Å; I9-W198 HydrophobicContact CG1-CZ2 4.15Å; I9-W198 HydrophobicContact CG1-CZ3 3.69Å; I9-W198 HydrophobicContact CG2-CB 4.24Å; I9-W198 HydrophobicContact CG2-CD2 3.75Å; I9-W198 HydrophobicContact CG2-CE3 4.08Å; I9-W198 HydrophobicContact CG2-CG 3.8Å; L79-W198 HydrophobicContact CD1-CB 3.94Å; T160-W198 HydrophobicContact CG2-CZ2 3.71Å; F194-W198 AromaticContact CD1-CD1 3.76Å; F194-W198 AromaticContact CE1-CD1 3.35Å; F194-W198 AromaticContact CE1-NE1 3.4Å; F194-W198 AromaticContact CE2-NE1 3.68Å; F194-W198 AromaticContact CZ-CD1 3.57Å; F194-W198 AromaticContact CZ-NE1 3.1Å; F194-W198 PolarHBondContact O-N 3.45Å; F194-W198 VanDerWaalsContact O-N 3.16Å; L195-W198 PolarHBondContact O-N 3.13Å; Y196-W198 PolarHBondContact O-N 3.23Å; W198-V200 VanDerWaalsContact C-N 3.34Å; W198-V200 PolarHBondContact O-N 2.84Å; W198-T201 HydrophobicContact CE3-CG2 3.92Å; W198-T201 HydrophobicContact CZ3-CG2 3.79Å; W198-T201 PolarHBondContact O-N 2.82Å; W198-T201 VanDerWaalsContact O-N 3.1Å; W198-F202 HydrophobicContact CE3-CD2 4.27Å; W198-F202 HydrophobicContact CE3-CE2 4.15Å; W198-F202 VanDerWaalsContact O-CD2 3.27Å; W198-F202 WeakPolarHBondContact O-CD2 3.28Å; W198-F202 PolarHBondContact O-N 3.11Å
199G98.3Very high96.9Very high0 Ų035.6 Ų35.60%020%0.197CC..Hα-helixtrans-53.3-49.7174.300000112.6G76 L195 Y196 F202 M203G76-G199 WeakPolarHBondContact O-CA 3.22Å; L195-G199 PolarHBondContact O-N 3.28Å; Y196-G199 PolarHBondContact O-N 3.01Å; G199-F202 PolarHBondContact O-N 3.08Å; G199-M203 WeakPolarHBondContact O-CG 3.18Å; G199-M203 PolarHBondContact O-N 2.68Å
200V98.3Very high96.7Very high79 Ų7935.5 Ų35.548%0.47920%0.198SC..Hα-helixtrans-66.3-40.7175176.10000111.7Y196 W198 F202 M203 V204Y196-V200 WeakPolarHBondContact O-CG2 3.3Å; Y196-V200 PolarHBondContact O-N 3.22Å; W198-V200 VanDerWaalsContact C-N 3.34Å; W198-V200 PolarHBondContact O-N 2.84Å; V200-F202 VanDerWaalsContact C-N 3.31Å; V200-F202 PolarHBondContact O-N 3.22Å; V200-M203 WeakPolarHBondContact O-CB 3.43Å; V200-M203 PolarHBondContact O-N 3.06Å; V200-M203 VanDerWaalsContact O-N 3.14Å; V200-V204 HydrophobicContact CG1-CG2 4.17Å; V200-V204 WeakPolarHBondContact O-CG2 3.1Å; V200-V204 PolarHBondContact O-N 3.45Å
201T97.8Very high96.4Very high32 Ų3237.6 Ų37.620%0.19621%0.209CC..Hα-helixtrans-60.6-41.4178.2-60.70000111.6F197 W198 V204 T205F197-T201 WeakPolarHBondContact O-CB 3.49Å; F197-T201 PolarHBondContact O-N 3.24Å; F197-T201 PolarHBondContact O-OG1 3.41Å; W198-T201 HydrophobicContact CE3-CG2 3.92Å; W198-T201 HydrophobicContact CZ3-CG2 3.79Å; W198-T201 PolarHBondContact O-N 2.82Å; W198-T201 VanDerWaalsContact O-N 3.1Å; T201-V204 PolarHBondContact O-N 3.25Å; T201-T205 HydrophobicContact CG2-CG2 4.11Å; T201-T205 WeakPolarHBondContact O-CB 3.49Å; T201-T205 VanDerWaalsContact O-CG2 3.23Å; T201-T205 WeakPolarHBondContact O-CG2 3.37Å; T201-T205 PolarHBondContact O-N 3.18Å; T201-T205 PolarHBondContact O-OG1 2.85Å
202F98.2Very high96.1Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-61.4-42.8174.3-92.7-102.3000111.8L6 I9 P10 Q72 I75 L79 W198 G199 V200 T205 N206L6-F202 HydrophobicContact CB-CE1 4.02Å; L6-F202 HydrophobicContact CB-CE2 4.5Å; L6-F202 HydrophobicContact CB-CZ 3.88Å; L6-F202 HydrophobicContact CD2-CD2 4.12Å; L6-F202 HydrophobicContact CD2-CE2 3.94Å; L6-F202 HydrophobicContact CD2-CZ 4.16Å; L6-F202 VanDerWaalsContact O-CZ 3.24Å; L6-F202 WeakPolarHBondContact O-CZ 3.3Å; I9-F202 HydrophobicContact CB-CE2 4.01Å; I9-F202 HydrophobicContact CB-CZ 4.26Å; I9-F202 HydrophobicContact CG1-CE2 4.34Å; I9-F202 HydrophobicContact CG2-CE2 4.03Å; P10-F202 HydrophobicContact CG-CZ 4.35Å; Q72-F202 HydrophobicContact CG-CD1 3.6Å; Q72-F202 HydrophobicContact CG-CE1 4.23Å; I75-F202 HydrophobicContact CB-CD1 3.95Å; I75-F202 HydrophobicContact CB-CE1 4.02Å; I75-F202 HydrophobicContact CD1-CE1 4.08Å; I75-F202 HydrophobicContact CG2-CD1 3.55Å; I75-F202 HydrophobicContact CG2-CD2 4.44Å; I75-F202 HydrophobicContact CG2-CE1 3.39Å; I75-F202 HydrophobicContact CG2-CE2 4.28Å; I75-F202 HydrophobicContact CG2-CG 4.1Å; I75-F202 HydrophobicContact CG2-CZ 3.75Å; L79-F202 HydrophobicContact CD1-CD2 4.01Å; L79-F202 HydrophobicContact CD1-CE2 4.17Å; W198-F202 HydrophobicContact CE3-CD2 4.27Å; W198-F202 HydrophobicContact CE3-CE2 4.15Å; W198-F202 VanDerWaalsContact O-CD2 3.27Å; W198-F202 WeakPolarHBondContact O-CD2 3.28Å; W198-F202 PolarHBondContact O-N 3.11Å; G199-F202 PolarHBondContact O-N 3.08Å; V200-F202 VanDerWaalsContact C-N 3.31Å; V200-F202 PolarHBondContact O-N 3.22Å; F202-T205 PolarHBondContact O-OG1 3.25Å; F202-N206 WeakPolarHBondContact O-CB 3.39Å; F202-N206 PolarHBondContact O-N 3.29Å
203M97.6Very high95.7Very high42 Ų4247.8 Ų47.821%0.20725%0.251CS..Hα-helixtrans-58.6-55.7175-63.3-73.7125.200111.4Y73 G76 I77 G199 V200 N206 T207Y73-M203 HydrophobicContact CD1-CE 3.75Å; Y73-M203 HydrophobicContact CD1-SD 3.46Å; Y73-M203 WeakPolarHBondContact CD1-SD 3.44Å; Y73-M203 HydrophobicContact CE1-SD 4Å; Y73-M203 HydrophobicContact CG-CE 4.43Å; Y73-M203 WeakPolarHBondContact O-CE 3.28Å; G76-M203 VanDerWaalsContact CA-CE 3.5Å; I77-M203 HydrophobicContact CD1-CE 4.48Å; I77-M203 HydrophobicContact CG1-CE 3.76Å; G199-M203 WeakPolarHBondContact O-CG 3.18Å; G199-M203 PolarHBondContact O-N 2.68Å; V200-M203 WeakPolarHBondContact O-CB 3.43Å; V200-M203 PolarHBondContact O-N 3.06Å; V200-M203 VanDerWaalsContact O-N 3.14Å; M203-N206 PolarHBondContact O-N 3.17Å; M203-T207 PolarHBondContact O-N 3.24Å; M203-T207 PolarHBondContact O-OG1 3.25Å
204V97.6Very high95.1Very high83 Ų8349.8 Ų49.850%0.50325%0.254SS..Hα-helixtrans-62.7-48.5-175.11730000111.1V200 T201 N206 T207 C208V200-V204 HydrophobicContact CG1-CG2 4.17Å; V200-V204 WeakPolarHBondContact O-CG2 3.1Å; V200-V204 PolarHBondContact O-N 3.45Å; T201-V204 PolarHBondContact O-N 3.25Å; V204-N206 VanDerWaalsContact C-N 3.27Å; V204-N206 PolarHBondContact O-N 2.95Å; V204-T207 PolarHBondContact O-N 3.01Å; V204-C208 PolarHBondContact O-N 3.15Å; V204-C208 PolarHBondContact O-SG 3.33Å
205T96.4Very high94.4Very high40 Ų4050.7 Ų50.725%0.24526%0.259CS..Hα-helixtrans-62.6-35.4179.653.20000112.2L6 Q72 T201 F202 C208 L209L6-T205 HydrophobicContact CD1-CG2 4.48Å; L6-T205 WeakPolarHBondContact CD1-OG1 3.17Å; Q72-T205 PolarHBondContact NE2-OG1 2.98Å; Q72-T205 VanDerWaalsContact NE2-OG1 3.11Å; T201-T205 HydrophobicContact CG2-CG2 4.11Å; T201-T205 WeakPolarHBondContact O-CB 3.49Å; T201-T205 VanDerWaalsContact O-CG2 3.23Å; T201-T205 WeakPolarHBondContact O-CG2 3.37Å; T201-T205 PolarHBondContact O-N 3.18Å; T201-T205 PolarHBondContact O-OG1 2.85Å; F202-T205 PolarHBondContact O-OG1 3.25Å; T205-C208 PolarHBondContact O-N 2.91Å; T205-L209 WeakPolarHBondContact O-CB 3.49Å; T205-L209 PolarHBondContact O-N 2.68Å
206N96.3Very high93.3Very high0 Ų057.5 Ų57.50%030%0.295CS..Hα-helixtrans-69.5-44.6176.3-164.227.9000111.4I69 Q72 Y73 F202 M203 V204 C208 L209 V210I69-N206 PolarHBondContact O-ND2 3.12Å; Q72-N206 HydrophobicContact CB-CB 4.23Å; Q72-N206 HydrophobicContact CG-CB 3.93Å; Y73-N206 HydrophobicContact CD1-CB 4.21Å; Y73-N206 WeakPolarHBondContact CD1-ND2 3.44Å; Y73-N206 WeakPolarHBondContact CD2-ND2 3.44Å; Y73-N206 HydrophobicContact CE1-CB 3.92Å; Y73-N206 WeakPolarHBondContact CE1-ND2 3.33Å; Y73-N206 WeakPolarHBondContact CE2-ND2 3.33Å; F202-N206 WeakPolarHBondContact O-CB 3.39Å; F202-N206 PolarHBondContact O-N 3.29Å; M203-N206 PolarHBondContact O-N 3.17Å; V204-N206 VanDerWaalsContact C-N 3.27Å; V204-N206 PolarHBondContact O-N 2.95Å; N206-C208 VanDerWaalsContact C-N 3.3Å; N206-C208 PolarHBondContact O-N 3.32Å; N206-L209 WeakPolarHBondContact O-CA 2.95Å; N206-L209 WeakPolarHBondContact O-CB 3.47Å; N206-L209 PolarHBondContact O-N 3Å; N206-V210 VanDerWaalsContact O-CG2 3.3Å; N206-V210 WeakPolarHBondContact O-CG2 3.16Å; N206-V210 PolarHBondContact O-N 3.01Å
207T95.3Very high92Very high59 Ų5959.9 Ų59.936%0.36231%0.314SS..Hα-helixtrans-58.2-43.4174.1-51.80000111.2Y73 M203 V204 L209 V210 L211Y73-T207 PolarHBondContact OH-OG1 3.28Å; M203-T207 PolarHBondContact O-N 3.24Å; M203-T207 PolarHBondContact O-OG1 3.25Å; V204-T207 PolarHBondContact O-N 3.01Å; T207-L209 VanDerWaalsContact C-N 3.32Å; T207-L209 PolarHBondContact O-N 3.18Å; T207-V210 PolarHBondContact O-N 3.06Å; T207-L211 HydrophobicContact CG2-CD1 4.12Å; T207-L211 VanDerWaalsContact O-CG 3.31Å; T207-L211 WeakPolarHBondContact O-CG 3.37Å; T207-L211 PolarHBondContact O-N 3.11Å; T207-L211 VanDerWaalsContact O-N 3.1Å
208C95Very high91.2Very high53 Ų5354.6 Ų54.636%0.35829%0.29SS..Hα-helixtrans-60.8-39.3173.4-67.40000112.6V204 T205 N206 L211 F212V204-C208 PolarHBondContact O-N 3.15Å; V204-C208 PolarHBondContact O-SG 3.33Å; T205-C208 PolarHBondContact O-N 2.91Å; N206-C208 VanDerWaalsContact C-N 3.3Å; N206-C208 PolarHBondContact O-N 3.32Å; C208-L211 PolarHBondContact O-N 2.93Å; C208-F212 HydrophobicContact CB-CD2 4.05Å; C208-F212 HydrophobicContact CB-CE2 4.32Å; C208-F212 WeakPolarHBondContact O-CB 3.45Å; C208-F212 WeakPolarHBondContact O-CD2 3.34Å; C208-F212 PolarHBondContact O-N 3.33Å
209L92.9Very high90.3Very high20 Ų2059.5 Ų59.511%0.10531%0.313CS..Hα-helixtrans-62.5-44.9176.7-176.6149.9000111.8L3 K65 L68 I69 W133 T205 N206 T207 L211 K213L3-L209 HydrophobicContact CD1-CD1 4.18Å; L3-L209 HydrophobicContact CD2-CD1 3.6Å; L3-L209 HydrophobicContact CG-CD1 4.32Å; K65-L209 HydrophobicContact CG-CD2 4.45Å; L68-L209 HydrophobicContact CD2-CD1 3.68Å; L68-L209 HydrophobicContact CD2-CD2 4.21Å; L68-L209 HydrophobicContact CG-CD1 4.46Å; I69-L209 HydrophobicContact CG1-CD2 4.19Å; W133-L209 HydrophobicContact CH2-CD2 4.42Å; W133-L209 HydrophobicContact CZ3-CD1 4.12Å; T205-L209 WeakPolarHBondContact O-CB 3.49Å; T205-L209 PolarHBondContact O-N 2.68Å; N206-L209 WeakPolarHBondContact O-CA 2.95Å; N206-L209 WeakPolarHBondContact O-CB 3.47Å; N206-L209 PolarHBondContact O-N 3Å; T207-L209 VanDerWaalsContact C-N 3.32Å; T207-L209 PolarHBondContact O-N 3.18Å; L209-L211 VanDerWaalsContact C-N 3.28Å; L209-L211 PolarHBondContact O-N 3.35Å; L209-K213 HydrophobicContact CG-CB 4.4Å; L209-K213 PolarHBondContact O-N 2.98Å; L209-K213 VanDerWaalsContact O-N 3.11Å
210V90.9Very high89.6Confident42 Ų4261.9 Ų61.926%0.25533%0.325SS..Hα-helixtrans-58.1-43.6176.5-178.90000110.8I69 N206 T207I69-V210 HydrophobicContact CB-CG2 4.49Å; I69-V210 HydrophobicContact CD1-CB 4.49Å; I69-V210 HydrophobicContact CD1-CG2 3.56Å; I69-V210 HydrophobicContact CG1-CG2 3.8Å; I69-V210 HydrophobicContact CG2-CG2 3.86Å; N206-V210 VanDerWaalsContact O-CG2 3.3Å; N206-V210 WeakPolarHBondContact O-CG2 3.16Å; N206-V210 PolarHBondContact O-N 3.01Å; T207-V210 PolarHBondContact O-N 3.06Å
211L89Confident88.8Confident72 Ų7258.4 Ų58.438%0.37730%0.304SS..Hα-helixtrans-78.8-37.1-174-65.9174.4000114.2T207 C208 L209 F224T207-L211 HydrophobicContact CG2-CD1 4.12Å; T207-L211 VanDerWaalsContact O-CG 3.31Å; T207-L211 WeakPolarHBondContact O-CG 3.37Å; T207-L211 PolarHBondContact O-N 3.11Å; T207-L211 VanDerWaalsContact O-N 3.1Å; C208-L211 PolarHBondContact O-N 2.93Å; L209-L211 VanDerWaalsContact C-N 3.28Å; L209-L211 PolarHBondContact O-N 3.35Å; L211-F224 HydrophobicContact CD2-CE2 4.39Å; L211-F224 WeakPolarHBondContact O-CE1 3.25Å
212F89.1Confident88Confident155 Ų15559.4 Ų59.468%0.6831%0.31SS*.Hα-helixtrans-108.7-32.1-168-62.2-60.6000114.3C208 H214C208-F212 HydrophobicContact CB-CD2 4.05Å; C208-F212 HydrophobicContact CB-CE2 4.32Å; C208-F212 WeakPolarHBondContact O-CB 3.45Å; C208-F212 WeakPolarHBondContact O-CD2 3.34Å; C208-F212 PolarHBondContact O-N 3.33Å; F212-H214 PolarHBondContact O-CE1 3.49Å; F212-H214 PolarHBondContact O-ND1 3.09Å
213K88.5Confident87.2Confident76 Ų7664.8 Ų64.833%0.3334%0.335SS..  trans-94.9116.8-176.3175.954.1-168.9154.50109.7K65 W133 I137 L209K65-K213 WeakPolarHBondContact CE-O 3.45Å; K65-K213 PolarHBondContact NZ-O 3.3Å; W133-K213 HydrophobicContact CH2-CB 4.37Å; W133-K213 HydrophobicContact CH2-CD 4.29Å; W133-K213 HydrophobicContact CH2-CG 3.31Å; W133-K213 HydrophobicContact CZ2-CD 4.14Å; W133-K213 HydrophobicContact CZ2-CG 3.58Å; W133-K213 HydrophobicContact CZ3-CG 4.36Å; I137-K213 HydrophobicContact CD1-CD 4.38Å; I137-K213 VanDerWaalsContact CD1-CE 3.43Å; L209-K213 HydrophobicContact CG-CB 4.4Å; L209-K213 PolarHBondContact O-N 2.98Å; L209-K213 VanDerWaalsContact O-N 3.11Å
214H85Confident86.4Confident63 Ų6366.4 Ų66.429%0.29234%0.341SS..  trans-98.4142.2-179.3-56.666.4000111F212 D221 F224F212-H214 PolarHBondContact O-CE1 3.49Å; F212-H214 PolarHBondContact O-ND1 3.09Å; H214-D221 WeakPolarHBondContact CA-OD2 3.38Å; H214-D221 HydrophobicContact CB-CB 4.07Å; H214-D221 IonicContact CD2-OD1 3.32Å; H214-F224 AromaticContact NE2-CD1 3.63Å
215E83.6Confident85.5Confident26 Ų2669.5 Ų69.512%0.12134%0.344CS..  trans-105.2137.2172.9-167.3171.9172.900108.8G62 R63 R64 K65 D221G62-E215 WeakPolarHBondContact CA-OE2 3.44Å; R63-E215 PolarHBondContact N-OE1 2.91Å; R64-E215 PolarHBondContact N-OE1 3.46Å; R64-E215 PolarHBondContact N-OE2 3.18Å; K65-E215 HydrophobicContact CD-CB 4.33Å; K65-E215 PolarHBondContact N-OE2 3.22Å; K65-E215 VanDerWaalsContact N-OE2 3.13Å; E215-D221 PolarHBondContact N-OD2 3.35Å
216N75.7Confident84.9Confident143 Ų14371.6 Ų71.677%0.76535%0.353SS*.THydrogen-bonded Turntrans-66.5148.6176.4-63.6-10.9000109S218N216-S218 PolarHBondContact O-N 3.3Å
217D70.8Confident84.4Confident136 Ų13675.6 Ų75.673%0.72738%0.38SS*.THydrogen-bonded Turntrans67.83.7-178.7-48.4-41.2000116.5
218S81Confident83.7Confident1 Ų175.9 Ų75.91%0.00738%0.379CS..  trans-84.1131.9174.8101.90000111.9N216 D221 T222N216-S218 PolarHBondContact O-N 3.3Å; S218-D221 WeakPolarHBondContact OG-CB 3.13Å; S218-D221 PolarHBondContact OG-N 3.15Å; S218-D221 VanDerWaalsContact OG-N 3.09Å; S218-D221 PolarHBondContact OG-OD2 3.35Å; S218-T222 PolarHBondContact O-N 2.97Å; S218-T222 PolarHBondContact O-OG1 3.08Å
219K79.6Confident83.1Confident128 Ų12878.6 Ų78.656%0.55739%0.387SS*.Hα-helixtrans-69.1-40.3176.3-65.7-175.1177.3-178.10111.6T59 H60 D221 T222 E223T59-K219 PolarHBondContact O-N 2.7Å; H60-K219 PolarHBondContact O-N 3.47Å; K219-D221 VanDerWaalsContact C-N 3.3Å; K219-D221 PolarHBondContact O-N 3Å; K219-T222 WeakPolarHBondContact O-CB 3.47Å; K219-T222 PolarHBondContact O-N 3.49Å; K219-T222 VanDerWaalsContact O-N 3.08Å; K219-E223 WeakPolarHBondContact O-CG 3.12Å; K219-E223 PolarHBondContact O-N 2.88Å
220L82Confident82.7Confident49 Ų4982.2 Ų82.226%0.25741%0.406SS..Hα-helixtrans-53.6-46.7176.7178.268.6000111.4H60 F224H60-L220 WeakPolarHBondContact O-CB 3.42Å; H60-L220 PolarHBondContact O-N 2.89Å; L220-F224 WeakPolarHBondContact O-CB 3.39Å; L220-F224 PolarHBondContact O-N 3.12Å
221D82.1Confident82.3Confident7 Ų784.8 Ų84.84%0.03742%0.418CS..Hα-helixtrans-71.9-32.7179.7-69-39.2000112.1K65 H214 E215 S218 K219 R225K65-D221 IonicContact NZ-OD1 3.58Å; K65-D221 PolarHBondContact NZ-OD1 3.3Å; K65-D221 IonicContact NZ-OD2 2.7Å; K65-D221 PolarHBondContact NZ-OD2 3.5Å; H214-D221 WeakPolarHBondContact CA-OD2 3.38Å; H214-D221 HydrophobicContact CB-CB 4.07Å; H214-D221 IonicContact CD2-OD1 3.32Å; E215-D221 PolarHBondContact N-OD2 3.35Å; S218-D221 WeakPolarHBondContact OG-CB 3.13Å; S218-D221 PolarHBondContact OG-N 3.15Å; S218-D221 VanDerWaalsContact OG-N 3.09Å; S218-D221 PolarHBondContact OG-OD2 3.35Å; K219-D221 VanDerWaalsContact C-N 3.3Å; K219-D221 PolarHBondContact O-N 3Å; D221-R225 VanDerWaalsContact O-CB 3.26Å; D221-R225 WeakPolarHBondContact O-CB 3.34Å; D221-R225 PolarHBondContact O-N 3.21Å
222T81.4Confident82Confident53 Ų5386.5 Ų86.533%0.32542%0.422SS..Hα-helixtrans-66.9-45.7175.7-57.80000111.2S218 K219 R225 N226S218-T222 PolarHBondContact O-N 2.97Å; S218-T222 PolarHBondContact O-OG1 3.08Å; K219-T222 WeakPolarHBondContact O-CB 3.47Å; K219-T222 PolarHBondContact O-N 3.49Å; K219-T222 VanDerWaalsContact O-N 3.08Å; T222-R225 PolarHBondContact O-N 3.07Å; T222-N226 PolarHBondContact O-N 3.11Å; T222-N226 PolarHBondContact O-ND2 3.19Å; T222-N226 PolarHBondContact O-OD1 3.06Å
223E81.7Confident81.7Confident113 Ų11385.9 Ų85.953%0.52842%0.417SS..Hα-helixtrans-64.2-44.7176.2-72.7179.9-176.500111.8K219 R225 N226 C227K219-E223 WeakPolarHBondContact O-CG 3.12Å; K219-E223 PolarHBondContact O-N 2.88Å; E223-R225 PolarHBondContact O-N 3.36Å; E223-N226 PolarHBondContact O-N 2.99Å; E223-C227 WeakPolarHBondContact O-CB 3.34Å; E223-C227 PolarHBondContact O-N 3.31Å
224F81.3Confident81.4Confident75 Ų7589.5 Ų89.533%0.32943%0.432SS..Hα-helixtrans-62.1-43.2176.7-173.3-100.4000111.8L211 H214 L220 N226 C227 L228L211-F224 HydrophobicContact CD2-CE2 4.39Å; L211-F224 WeakPolarHBondContact O-CE1 3.25Å; H214-F224 AromaticContact NE2-CD1 3.63Å; L220-F224 WeakPolarHBondContact O-CB 3.39Å; L220-F224 PolarHBondContact O-N 3.12Å; F224-N226 VanDerWaalsContact C-N 3.33Å; F224-N226 PolarHBondContact O-N 3.44Å; F224-C227 WeakPolarHBondContact O-CB 3.36Å; F224-C227 PolarHBondContact O-N 2.88Å; F224-L228 WeakPolarHBondContact O-CB 3.48Å; F224-L228 PolarHBondContact O-N 2.95Å
225R78.7Confident81.2Confident149 Ų14991 Ų9156%0.56244%0.442SS*.Hα-helixtrans-61-41.4175.1-173.9179.968-150.4-1.5111.9D221 T222 E223 L228 H229D221-R225 VanDerWaalsContact O-CB 3.26Å; D221-R225 WeakPolarHBondContact O-CB 3.34Å; D221-R225 PolarHBondContact O-N 3.21Å; T222-R225 PolarHBondContact O-N 3.07Å; E223-R225 PolarHBondContact O-N 3.36Å; R225-L228 PolarHBondContact O-N 3.48Å; R225-H229 VanDerWaalsContact O-CB 3.29Å; R225-H229 WeakPolarHBondContact O-CB 3.28Å; R225-H229 PolarHBondContact O-N 2.87Å
226N84Confident81Confident84 Ų8497 Ų9745%0.44947%0.468SS..Hα-helixtrans-65-42.4176.7-69.3-13.1000111.4T222 E223 F224 H229 N230T222-N226 PolarHBondContact O-N 3.11Å; T222-N226 PolarHBondContact O-ND2 3.19Å; T222-N226 PolarHBondContact O-OD1 3.06Å; E223-N226 PolarHBondContact O-N 2.99Å; F224-N226 VanDerWaalsContact C-N 3.33Å; F224-N226 PolarHBondContact O-N 3.44Å; N226-H229 PolarHBondContact O-N 3.11Å; N226-N230 WeakPolarHBondContact O-CB 3.48Å; N226-N230 VanDerWaalsContact O-CG 3.27Å; N226-N230 PolarHBondContact O-N 3.36Å; N226-N230 PolarHBondContact O-ND2 3.22Å
227C84.9Confident81.2Confident83 Ų8395.7 Ų95.756%0.56146%0.455SS*.Hα-helixtrans-61-47.3174.7-1750000111.7E223 F224 H229 N230 L231E223-C227 WeakPolarHBondContact O-CB 3.34Å; E223-C227 PolarHBondContact O-N 3.31Å; F224-C227 WeakPolarHBondContact O-CB 3.36Å; F224-C227 PolarHBondContact O-N 2.88Å; C227-H229 PolarHBondContact O-N 3.23Å; C227-N230 PolarHBondContact O-N 3.37Å; C227-L231 WeakPolarHBondContact O-CB 3.22Å; C227-L231 PolarHBondContact O-N 3.39Å
228L81.1Confident81.3Confident66 Ų6698.5 Ų98.535%0.34646%0.456SS..Hα-helixtrans-64.6-41.7179.3-164.874000111.5F224 R225 L231 F232F224-L228 WeakPolarHBondContact O-CB 3.48Å; F224-L228 PolarHBondContact O-N 2.95Å; R225-L228 PolarHBondContact O-N 3.48Å; L228-L231 PolarHBondContact O-N 3.04Å; L228-F232 HydrophobicContact CD1-CD2 4.33Å; L228-F232 HydrophobicContact CD1-CE2 3.9Å; L228-F232 HydrophobicContact CD2-CD2 4.38Å; L228-F232 HydrophobicContact CD2-CE2 3.91Å; L228-F232 HydrophobicContact CG-CD2 3.78Å; L228-F232 HydrophobicContact CG-CE2 3.61Å; L228-F232 VanDerWaalsContact O-CD2 3.25Å; L228-F232 WeakPolarHBondContact O-CD2 3.34Å; L228-F232 PolarHBondContact O-N 2.92Å
229H81.2Confident80.9Confident110 Ų110105.9 Ų105.951%0.50949%0.488SS..Hα-helixtrans-62.8-42.5175.7-169.455.8000111.6R225 N226 C227 L231 F232 Y233R225-H229 VanDerWaalsContact O-CB 3.29Å; R225-H229 WeakPolarHBondContact O-CB 3.28Å; R225-H229 PolarHBondContact O-N 2.87Å; N226-H229 PolarHBondContact O-N 3.11Å; C227-H229 PolarHBondContact O-N 3.23Å; H229-L231 VanDerWaalsContact C-N 3.34Å; H229-L231 PolarHBondContact O-N 3.08Å; H229-F232 PolarHBondContact O-N 3.45Å; H229-Y233 VanDerWaalsContact O-CB 3.29Å; H229-Y233 WeakPolarHBondContact O-CB 3.11Å; H229-Y233 PolarHBondContact O-N 3.38Å
230N85.1Confident80.4Confident96 Ų96102 Ų10251%0.51348%0.48SS..Hα-helixtrans-63.7-38.4174.3-75.1-22.4000112.3N226 C227 K234N226-N230 WeakPolarHBondContact O-CB 3.48Å; N226-N230 VanDerWaalsContact O-CG 3.27Å; N226-N230 PolarHBondContact O-N 3.36Å; N226-N230 PolarHBondContact O-ND2 3.22Å; C227-N230 PolarHBondContact O-N 3.37Å; N230-K234 WeakPolarHBondContact O-CB 3.31Å; N230-K234 WeakPolarHBondContact O-CG 3.31Å; N230-K234 PolarHBondContact O-N 3.29Å
231L83.5Confident79.8Confident96 Ų96104.3 Ų104.350%0.50349%0.492SS..Hα-helixtrans-66.2-47.3175.9-170.375000111.3C227 L228 H229 K234 L235C227-L231 WeakPolarHBondContact O-CB 3.22Å; C227-L231 PolarHBondContact O-N 3.39Å; L228-L231 PolarHBondContact O-N 3.04Å; H229-L231 VanDerWaalsContact C-N 3.34Å; H229-L231 PolarHBondContact O-N 3.08Å; L231-K234 PolarHBondContact O-N 3.2Å; L231-L235 HydrophobicContact CG-CD1 4.25Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.96Å
232F82.4Confident78.9Confident107 Ų107109 Ų10947%0.46952%0.517SS..Hα-helixtrans-63.7-41.2176.3-85.1-66.9000112.1L228 H229 K234 L235 F236L228-F232 HydrophobicContact CD1-CD2 4.33Å; L228-F232 HydrophobicContact CD1-CE2 3.9Å; L228-F232 HydrophobicContact CD2-CD2 4.38Å; L228-F232 HydrophobicContact CD2-CE2 3.91Å; L228-F232 HydrophobicContact CG-CD2 3.78Å; L228-F232 HydrophobicContact CG-CE2 3.61Å; L228-F232 VanDerWaalsContact O-CD2 3.25Å; L228-F232 WeakPolarHBondContact O-CD2 3.34Å; L228-F232 PolarHBondContact O-N 2.92Å; H229-F232 PolarHBondContact O-N 3.45Å; F232-K234 PolarHBondContact O-N 2.96Å; F232-L235 PolarHBondContact O-N 2.9Å; F232-F236 WeakPolarHBondContact O-CB 3.3Å; F232-F236 PolarHBondContact O-N 2.82Å
233Y82.4Confident77.6Confident143 Ų143109.6 Ų109.656%0.56152%0.523SS*.Hα-helixtrans-60.1-45.1174.8179.9-97.8000111.3H229 L235 K237H229-Y233 VanDerWaalsContact O-CB 3.29Å; H229-Y233 WeakPolarHBondContact O-CB 3.11Å; H229-Y233 PolarHBondContact O-N 3.38Å; Y233-L235 PolarHBondContact O-N 3.37Å; Y233-K237 HydrophobicContact CE1-CD 4.24Å; Y233-K237 VanDerWaalsContact O-CB 3.23Å; Y233-K237 WeakPolarHBondContact O-CB 3.22Å; Y233-K237 PolarHBondContact O-N 3.06Å
234K83.1Confident76.4Confident151 Ų151110.2 Ų110.266%0.65753%0.526SS*.Hα-helixtrans-61.1-42.6174.3-77179.8-179.6-178.30112.1N230 L231 F232 R238N230-K234 WeakPolarHBondContact O-CB 3.31Å; N230-K234 WeakPolarHBondContact O-CG 3.31Å; N230-K234 PolarHBondContact O-N 3.29Å; L231-K234 PolarHBondContact O-N 3.2Å; F232-K234 PolarHBondContact O-N 2.96Å; K234-R238 WeakPolarHBondContact O-CB 3.45Å; K234-R238 PolarHBondContact O-N 3.07Å
235L78.8Confident75.1Confident96 Ų96109.5 Ų109.550%0.50353%0.53SS..Hα-helixtrans-69-43.7179.4-72.8170.4000112.7L231 F232 Y233 R238 K239L231-L235 HydrophobicContact CG-CD1 4.25Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.96Å; F232-L235 PolarHBondContact O-N 2.9Å; Y233-L235 PolarHBondContact O-N 3.37Å; L235-R238 PolarHBondContact O-N 3Å; L235-K239 WeakPolarHBondContact O-CB 3.4Å; L235-K239 PolarHBondContact O-N 3.46Å
236F79.9Confident73.5Confident151 Ų151107.8 Ų107.866%0.66253%0.528SS*.Hα-helixtrans-64.8-42.5176-101.2-84.9000111.6F232 R238 K239 A240F232-F236 WeakPolarHBondContact O-CB 3.3Å; F232-F236 PolarHBondContact O-N 2.82Å; F236-R238 VanDerWaalsContact C-N 3.31Å; F236-R238 PolarHBondContact O-N 2.87Å; F236-K239 PolarHBondContact O-N 3.15Å; F236-A240 WeakPolarHBondContact O-CB 3.37Å; F236-A240 PolarHBondContact O-N 3Å
237K80.8Confident71.7Confident115 Ų115113.1 Ų113.150%0.554%0.542SS..Hα-helixtrans-61.3-40174.3-169.9171.2-176.5174.10111.6Y233 N241Y233-K237 HydrophobicContact CE1-CD 4.24Å; Y233-K237 VanDerWaalsContact O-CB 3.23Å; Y233-K237 WeakPolarHBondContact O-CB 3.22Å; Y233-K237 PolarHBondContact O-N 3.06Å; K237-N241 PolarHBondContact O-N 3.49Å; K237-N241 VanDerWaalsContact O-N 3.09Å; K237-N241 PolarHBondContact O-OD1 3.09Å
238R73.2Confident69.9Low196 Ų196114.3 Ų114.374%0.7454%0.542SS*.Hα-helixtrans-64.4-39.8174.4-134.1176.3-172.5172.21.5112.3K234 L235 F236 L242K234-R238 WeakPolarHBondContact O-CB 3.45Å; K234-R238 PolarHBondContact O-N 3.07Å; L235-R238 PolarHBondContact O-N 3Å; F236-R238 VanDerWaalsContact C-N 3.31Å; F236-R238 PolarHBondContact O-N 2.87Å; R238-L242 WeakPolarHBondContact O-CB 3.47Å; R238-L242 PolarHBondContact O-N 3.48Å
239K71.4Confident68.2Low155 Ų155116.3 Ų116.367%0.67455%0.554SS**Hα-helixtrans-72-37.9179.7-157.7176.7-174.2-177.70112.4L235 F236 L242 S243L235-K239 WeakPolarHBondContact O-CB 3.4Å; L235-K239 PolarHBondContact O-N 3.46Å; F236-K239 PolarHBondContact O-N 3.15Å; K239-L242 PolarHBondContact O-N 2.83Å; K239-S243 PolarHBondContact O-N 3.49Å
240A70.4Confident66.1Low47 Ų47118.6 Ų118.639%0.38856%0.564SS.*Hα-helixtrans-60.3-51172.600000110.8F236 L242 S243 E244F236-A240 WeakPolarHBondContact O-CB 3.37Å; F236-A240 PolarHBondContact O-N 3Å; A240-L242 VanDerWaalsContact C-N 3.27Å; A240-L242 PolarHBondContact O-N 3.09Å; A240-S243 PolarHBondContact O-N 3.24Å; A240-S243 VanDerWaalsContact O-N 3.1Å; A240-S243 PolarHBondContact O-OG 3.42Å; A240-E244 PolarHBondContact O-N 3.1Å
241N69.4Low63.9Low98 Ų98121.1 Ų121.152%0.52457%0.573SS.*Hα-helixtrans-59.6-36.2176.7-67.97.9000112.7K237 S245K237-N241 PolarHBondContact O-N 3.49Å; K237-N241 VanDerWaalsContact O-N 3.09Å; K237-N241 PolarHBondContact O-OD1 3.09Å; N241-S245 PolarHBondContact O-N 3.18Å
242L61.4Low61.7Low105 Ų105124.2 Ų124.255%0.5558%0.584SS.*Hα-helixtrans-70.5-38.9176.3-167.470.4000112.1R238 K239 A240 E244 S245 H246R238-L242 WeakPolarHBondContact O-CB 3.47Å; R238-L242 PolarHBondContact O-N 3.48Å; K239-L242 PolarHBondContact O-N 2.83Å; A240-L242 VanDerWaalsContact C-N 3.27Å; A240-L242 PolarHBondContact O-N 3.09Å; L242-E244 VanDerWaalsContact C-N 3.28Å; L242-E244 PolarHBondContact O-N 2.9Å; L242-S245 PolarHBondContact O-N 3.27Å; L242-H246 PolarHBondContact O-CD2 2.96Å; L242-H246 PolarHBondContact O-N 2.72Å; L242-H246 VanDerWaalsContact O-N 3.07Å
243S55.7Low59.2Low66 Ų66124.3 Ų124.346%0.46260%0.598SS.*Hα-helixtrans-66.1-33.1175.8770000112.4K239 A240 H246 R247K239-S243 PolarHBondContact O-N 3.49Å; A240-S243 PolarHBondContact O-N 3.24Å; A240-S243 VanDerWaalsContact O-N 3.1Å; A240-S243 PolarHBondContact O-OG 3.42Å; S243-H246 PolarHBondContact O-N 3.22Å; S243-R247 PolarHBondContact O-N 2.86Å
244E56.4Low56.6Low126 Ų126122.3 Ų122.359%0.58960%0.601SS**Hα-helixtrans-73.2-38.1177.3-160143-149.900111.3A240 L242 H246 R247 L248A240-E244 PolarHBondContact O-N 3.1Å; L242-E244 VanDerWaalsContact C-N 3.28Å; L242-E244 PolarHBondContact O-N 2.9Å; E244-H246 VanDerWaalsContact C-N 3.32Å; E244-H246 PolarHBondContact O-N 3.3Å; E244-R247 PolarHBondContact O-N 2.96Å; E244-L248 PolarHBondContact O-N 3.44Å
245S53Low54Low60 Ų60123.7 Ų123.742%0.4261%0.609SS.*Hα-helixtrans-60.8-38.3169.2178.40000112.6N241 L242 L248 N249N241-S245 PolarHBondContact O-N 3.18Å; L242-S245 PolarHBondContact O-N 3.27Å; S245-L248 PolarHBondContact O-N 2.64Å; S245-N249 PolarHBondContact O-N 3.19Å; S245-N249 VanDerWaalsContact O-N 3.1Å
246H45.8Very low51.5Low112 Ų112124.5 Ų124.552%0.51962%0.618SS.*Hα-helixtrans-71.4-33.5174.8-85.2-71.3000113.7L242 S243 E244 N249 H250L242-H246 PolarHBondContact O-CD2 2.96Å; L242-H246 PolarHBondContact O-N 2.72Å; L242-H246 VanDerWaalsContact O-N 3.07Å; S243-H246 PolarHBondContact O-N 3.22Å; E244-H246 VanDerWaalsContact C-N 3.32Å; E244-H246 PolarHBondContact O-N 3.3Å; H246-N249 PolarHBondContact O-N 2.97Å; H246-H250 PolarHBondContact O-N 2.79Å
247R46.3Very low48.8Very low196 Ų196123.9 Ų123.974%0.7462%0.622SS**Hα-helixtrans-69.3-37.6172.1-80.8-171.3-179.7-174.80.3112.2S243 E244 N249 H250 H251S243-R247 PolarHBondContact O-N 2.86Å; E244-R247 PolarHBondContact O-N 2.96Å; R247-N249 VanDerWaalsContact C-N 3.3Å; R247-N249 PolarHBondContact O-N 3.48Å; R247-H250 PolarHBondContact O-N 2.84Å; R247-H251 PolarHBondContact O-N 3.38Å; R247-H251 VanDerWaalsContact O-N 3.15Å
248L47.3Very low46.2Very low108 Ų108124.8 Ų124.857%0.56563%0.633SS**Hα-helixtrans-63.6-37.5174.1-123.593.8000111.8E244 S245 H252E244-L248 PolarHBondContact O-N 3.44Å; S245-L248 PolarHBondContact O-N 2.64Å; L248-H252 PolarHBondContact O-N 2.64Å
249N43.9Very low43.9Very low109 Ų109121.4 Ų121.458%0.58363%0.629SS**Hα-helixtrans-73.2-26.1178.6-72.6-13000113.6S245 H246 R247S245-N249 PolarHBondContact O-N 3.19Å; S245-N249 VanDerWaalsContact O-N 3.1Å; H246-N249 PolarHBondContact O-N 2.97Å; R247-N249 VanDerWaalsContact C-N 3.3Å; R247-N249 PolarHBondContact O-N 3.48Å
250H37.5Very low41.6Very low157 Ų157120.4 Ų120.473%0.72763%0.631SS**Hα-helixtrans-82.7-25.6174.6-93.7-65.3000114H246 R247H246-H250 PolarHBondContact O-N 2.79Å; R247-H250 PolarHBondContact O-N 2.84Å
251H39.3Very low39.4Very low150 Ų150124.8 Ų124.869%0.69465%0.648SS**Hα-helixtrans-82.6-11.8175.3-88.6-66.1000114.4R247 S253R247-H251 PolarHBondContact O-N 3.38Å; R247-H251 VanDerWaalsContact O-N 3.15Å; H251-S253 VanDerWaalsContact C-N 3.28Å; H251-S253 PolarHBondContact O-N 3.23Å
252H36.3Very low37.3Very low160 Ų160126 Ų12674%0.74165%0.654SS**THydrogen-bonded Turntrans-83.19.2175.7-99-49.4000115.5L248L248-H252 PolarHBondContact O-N 2.64Å
253S31.1Very low35.5Very low110 Ų110127.8 Ų127.877%0.76966%0.664SS**THydrogen-bonded Turntrans-105.510175.9-121.30000115.4H251H251-S253 VanDerWaalsContact C-N 3.28Å; H251-S253 PolarHBondContact O-N 3.23Å
254T28.1Very low33.8Very low100 Ų100129 Ų12961%0.61367%0.673SS**SBendtrans-136.3120.2175.146.60000112
255H28.5Very low32.1Very low180 Ų180129.6 Ų129.683%0.83368%0.679SS**  trans81.380.3169.8-69.8-72.9000118.2
256T24.5Very low30.7Very low113 Ų113135 Ų13569%0.69370%0.697SS**  trans-30.9141.913748.20000116
257N25.1Very low29.4Very low138 Ų138136.7 Ų136.774%0.73871%0.71SS**  trans72.2105.4149.4-60.5-3.2000117.4
258D25.8Very low28.2Very low135 Ų135132.9 Ų132.972%0.72271%0.708SS**  -176.3123.486.7-93-33.4000113
259N24.2Very low26.9Very low124 Ų124135.1 Ų135.166%0.66372%0.721SS**  trans57.7118.9135.8-63.8-31.8000123.4
260N22.9Very low25.7Very low134 Ų134138.1 Ų138.172%0.71773%0.733SS**  69.6101.9127.8-62.7-13.3000119.3
261N25.7Very low24.9Very low140 Ų140137.9 Ų137.975%0.74974%0.736SS**  -176.912898.4-94.8-9000112.1
262D23.6Very low24Very low123 Ų123138.6 Ų138.666%0.65874%0.74SS**  trans63.2110139.1-60.6-27000122.5
263N23.7Very low23.2Very low142 Ų142136.7 Ų136.776%0.75974%0.735SS**  74105.2126.1-65.5-24.8000118.2
264S21.4Very low22.8Very low93 Ų93136 Ų13665%0.6573%0.73SS**  75.594.587156.10000111.6
265I20.7Very low22.5Very low137 Ų137137.9 Ų137.970%0.70374%0.736SS**  108.1142.481.2-86.7162.3000110.3
266H22Very low22.2Very low173 Ų173137.2 Ų137.280%0.80174%0.739SS**  trans76.4107170.5-72.8-55000116.6
267N19Very low22.1Very low149 Ų149137.3 Ų137.380%0.79774%0.744SS**  cis72.9122.145.8-131.917.4000113.6
268V20.9Very low21.9Very low115 Ų115138.8 Ų138.870%0.69775%0.752SS**  trans95.299.8167-170.50000116.9
269D19.9Very low21.8Very low156 Ų156137.9 Ų137.983%0.83476%0.756SS**  -178.914299-100.9-32.7000114.9
270M20.3Very low21.7Very low171 Ų171138.5 Ų138.584%0.84277%0.765SS**  trans-86.5142.3157.5-75.4-93.3-152.700106.8
271I20Very low21.5Very low153 Ų153141.7 Ų141.779%0.78577%0.768SS**  -178.3131.678.6-73.1166.8000107
272Q20.3Very low21.3Very low165 Ų165140.8 Ų140.877%0.77177%0.773SS**  175.9134.3126.3-109.1-178.3-67.200112.9
273D20.6Very low21.1Very low120 Ų120143.6 Ų143.664%0.64278%0.779SS**  trans73.497.3139.9-61.7-16000122.5
274S21.2Very low21Very low95 Ų95147.3 Ų147.366%0.66478%0.784SS**  80137.9111.481.50000120.8
275N21.9Very low20.9Very low140 Ų140150.1 Ų150.175%0.74979%0.79SS**  trans74.889.2146.8-59.9-23000119
276N22.8Very low20.9Very low166 Ų166152.4 Ų152.489%0.88880%0.798SS**  174.2104.2117-96.6-24.3000111.3
277S22.3Very low20.8Very low114 Ų114152.8 Ų152.880%0.79780%0.8SS**  trans-159.767.3155.961.20000111
278N20.1Very low21Very low170 Ų170148.8 Ų148.891%0.90979%0.794SS**  trans-106.291.2155.5-88.2-12.3000107.7
279S24.1Very low20.9Very low115 Ų115150.5 Ų150.580%0.80480%0.797SS**  trans-144.2103157.365.60000109.2Y281S279-Y281 PolarHBondContact O-N 2.85Å
280T21.7Very low21.1Very low137 Ų137150.3 Ų150.384%0.8480%0.796SS**  trans-58.3122.4178-49.40000111.8
281Y20.5Very low21.1Very low201 Ų201149.4 Ų149.479%0.78880%0.795SS**  trans21.3103.7139.7-92.6-101.4000117.2S279S279-Y281 PolarHBondContact O-N 2.85Å
282S20.5Very low21.2Very low122 Ų122149.9 Ų149.985%0.85380%0.798SS**  trans-116.1129.1148-165.80000108.9
283K20.2Very low21.3Very low181 Ų181149 Ų14979%0.78780%0.799SS**  trans-105.7105.2-171.5175.5-169.2-171.9-179.70107.1
284Y21.8Very low21.3Very low221 Ų221149.8 Ų149.887%0.86780%0.803SS**  trans-154.3115.7150.6-86.4-70.9000109.4
285I18.9Very low21.4Very low152 Ų152150 Ų15078%0.77981%0.805SS**  trans-83.8116.8161.3-68.2176.9000105.3
286H20.6Very low21.5Very low185 Ų185152.4 Ų152.486%0.85681%0.808SS**  trans-127.1121.6150.4-109.7-69.2000107.7
287E20.2Very low21.5Very low181 Ų181153.2 Ų153.285%0.84681%0.812SS**  trans-66.6147.8173.3-65.2167.8140.200110.8
288G21.8Very low21.6Very low65 Ų65153.2 Ų153.267%0.6781%0.812SS**  trans12285.8156.900000116.3
289I20.1Very low21.7Very low151 Ų151153 Ų15377%0.77481%0.805SS**  46.2107.7119.6-58.1169.1000116.9
290D22.5Very low21.6Very low151 Ų151157.5 Ų157.581%0.80781%0.81SS**  -179.1141.9104.3-97.9-35.8000111.8
291D20.8Very low21.6Very low153 Ų153156.7 Ų156.782%0.81881%0.81SS**  trans-57.3137.7179.2-66.4-56.9000113.6
292L22.6Very low21.8Very low163 Ų163156.1 Ų156.185%0.85381%0.812SS**  trans-150.5103.7145.5-147.277.5000111.8
293D21.4Very low21.8Very low145 Ų145155.4 Ų155.478%0.77581%0.807SS**  trans-48.3134.8156.8-89.8-40.9000111.6
294N22.3Very low21.9Very low137 Ų137154.4 Ų154.473%0.73381%0.809SS**  trans-156.384.9141.6-98.2-47.7000110.3K296N294-K296 PolarHBondContact O-N 3.37Å
295S22.6Very low21.9Very low100 Ų100154.6 Ų154.670%0.69981%0.81SS**  trans-41.9102.7138.955.10000110.5
296K23.1Very low22Very low191 Ų191156.4 Ų156.483%0.8382%0.815SS**  trans175.785.4151.8-98.3164.9-169.7-179.80109.3N294N294-K296 PolarHBondContact O-N 3.37Å
297L22.6Very low21.9Very low182 Ų182154 Ų15495%0.95381%0.814SS**  trans-140.8114.3147.2-14584.1000108.5
298S24.3Very low21.9Very low115 Ų115154.5 Ų154.580%0.80481%0.813SS**  trans-73.8151.2-171.366.80000113.1K300S298-K300 PolarHBondContact O-N 3.2Å
299E23.9Very low21.9Very low165 Ų165159.6 Ų159.677%0.77183%0.825SS**  trans-45.1109171-58.9172.3131.600114.4
300K21.6Very low21.8Very low210 Ų210161.1 Ų161.191%0.91383%0.829SS**  trans-15838.1148.7-131.8175-1751760116.6S298S298-K300 PolarHBondContact O-N 3.2Å
301S22.3Very low21.7Very low120 Ų120162 Ų16284%0.83983%0.828SS**  trans-139.257.9163.763.80000110.5
302K22.9Very low21.6Very low189 Ų189161.4 Ų161.482%0.82282%0.82SS**  trans-11821.1175-104.1-174.4-177.3176.40113.4
303S22Very low21.4Very low107 Ų107161 Ų16175%0.74881%0.814SS**  trans-146.467.8179.367.80000113
304L22.3Very low21.3Very low159 Ų159160.2 Ų160.283%0.83281%0.809SS**SBendtrans-162.1133.9146.4-140.169000107
305Y20.5Very low21.1Very low226 Ų226160.2 Ų160.289%0.88681%0.809SS**  trans9260.6-168.1-64.5-82.4000116.6
306Q20.7Very low21.1Very low190 Ų190163.6 Ų163.689%0.88881%0.814SS**  trans-132.390.3143.5-84.9-175.5-19.800107.8
307T20.5Very low21Very low135 Ų135161.6 Ų161.683%0.82881%0.812SS**  trans-164.5135.6148.7-16.30000111.8
308K19.6Very low20.8Very low190 Ų190161 Ų16183%0.82681%0.808SS**  trans77.393.8169-65.1-176.7174.8-178.80116.4
309N20.6Very low20.7Very low173 Ų173163.3 Ų163.393%0.92581%0.806SS**  -156116.6117.9-91.7-18.6000109.7
310Q19.1Very low20.6Very low183 Ų183162 Ų16286%0.85580%0.804SS**  trans-146.8100.6177.3-151.3179.96.100104.8
311H19.5Very low20.6Very low168 Ų168157.9 Ų157.978%0.77880%0.797SS**  trans170.1130.6142.7-100.7-50000113.9
312H19.2Very low20.7Very low142 Ų142157.8 Ų157.866%0.65779%0.791SS**  trans64.6113.6151.5-74.8-61.5000119.8
313Q17.7Very low20.8Very low155 Ų155156 Ų15672%0.72479%0.791SS**  64.510158.1-115.7177-19.900113.6
314D19.3Very low20.8Very low128 Ų128159 Ų15968%0.68480%0.797SS**  155.3142.9113-81.3-22.4000114.2
315N19.8Very low20.8Very low137 Ų137160.2 Ų160.273%0.73380%0.799SS**  trans89.4102.7152.4-63.2-11.6000122.5
316E21.1Very low20.9Very low170 Ų170157 Ų15779%0.79480%0.796SS**  80108.6106.4-141.3169.6-156.200120
317L20.6Very low21.1Very low149 Ų149156.3 Ų156.378%0.7880%0.797SS**  32.7123129.2-148.778.8000118.7
318I20.3Very low21.1Very low170 Ų170155.4 Ų155.487%0.87279%0.794SS**  trans-166.4128.4131.5-93.2147.3000109.6
319E21.3Very low21.2Very low163 Ų163157.8 Ų157.876%0.76280%0.798SS**  trans-71.7161.2168.6-79.6172.1136.900112.8
320D21.6Very low21.2Very low139 Ų139155.3 Ų155.374%0.74379%0.79SS**  trans82.6131.7146.1-81.4-15.2000122.4
321T22.8Very low21.4Very low122 Ų122153.2 Ų153.275%0.74878%0.784SS**  trans81.8102.1153.356.70000120.5
322T23.4Very low21.4Very low119 Ų119153 Ų15373%0.7378%0.784SS**  31110.6125.1500000119.3
323N24.3Very low21.4Very low152 Ų152153 Ų15381%0.81379%0.787SS**  177.3113.3125.8-88.4-35.1000106.8
324L22.1Very low21.6Very low169 Ų169151.5 Ų151.589%0.88579%0.791SS**  38.8110.393-145.577.2000112.2
325E23.3Very low21.5Very low185 Ų185152.8 Ų152.886%0.86479%0.792SS**  trans10786165.9-152.9168.6-135.400116.6
326L23.1Very low21.6Very low158 Ų158155 Ų15583%0.82780%0.798SS**  trans-177.390.1131.8-123.286.1000111.1
327I23.9Very low21.5Very low175 Ų175151.9 Ų151.990%0.89779%0.79SS**  trans-128.477.4154.8-56.9179000106.9
328C19.8Very low21.6Very low116 Ų116151.1 Ų151.178%0.78479%0.792SS**  trans-155.784.8165.2-101.20000108.2
329R22Very low21.5Very low241 Ų241149.3 Ų149.391%0.90978%0.784SS**  trans-166.4105.8148.5-109.5172.2-168.5-1734.3112.2
330T21Very low21.5Very low121 Ų121150.7 Ų150.774%0.74279%0.79SS**  trans-4.4128.8136.6-35.50000116.4
331N22.5Very low21.3Very low138 Ų138152.2 Ų152.274%0.73879%0.793SS**  -171.9120.4121.3-94.3-12.3000114.2
332Q20.6Very low21.1Very low164 Ų164157 Ų15777%0.76680%0.797SS**  47.3105128.8-67.5179.3-21.700120.9
333I19.6Very low20.9Very low142 Ų142157.1 Ų157.173%0.72879%0.793SS**  trans-3.8132.2130.4-54.5160.5000115.7
334P20.6Very low20.6Very low123 Ų123155.1 Ų155.180%0.79979%0.791SS**  trans-125.3133.5134.119.4-0.9000112.5
335H18.9Very low20.5Very low156 Ų156154.9 Ų154.972%0.72279%0.789SS**  trans-67133.6166.9-77.1-100.6000110.6
336H21.5Very low20.2Very low183 Ų183155.2 Ų155.285%0.84779%0.788SS**  trans-146117.2141.7-125.9-79.1000111.3
337V19.2Very low20.1Very low104 Ų104154 Ų15463%0.6379%0.787SS**  trans-77.8133.3172.6171.80000107.9
338T21.7Very low19.9Very low133 Ų133155.2 Ų155.282%0.81679%0.786SS**  trans-145.7109.2153.51.30000109.4
339N18Very low19.9Very low132 Ų132154.3 Ų154.371%0.70678%0.781SS**  trans-63.2132.3167.3-81.5-28.7000109.8
340H21.6Very low20Very low192 Ų192150.1 Ų150.189%0.88978%0.777SS**  trans-150.2105.1142.2-101.7-64.4000111
341Q17.5Very low20.1Very low172 Ų172149.5 Ų149.580%0.80478%0.777SS**  trans-62.9135.9155.9-81.5155.2-6800110
342R17.9Very low20.1Very low222 Ų222149.2 Ų149.284%0.83878%0.78SS**  175.6136.8113.1-104-173.9-175.11324.9113.6
343N19.8Very low20.3Very low121 Ų121148 Ų14865%0.64778%0.779SS**  trans75.492.7136.8-63.5-0.6000119.7
344S18.3Very low20.6Very low111 Ų111149.9 Ų149.978%0.77679%0.785SS**  -21.1125.9128.945.70000116.1
345I19.7Very low20.6Very low163 Ų163155.2 Ų155.284%0.83679%0.79SS**  trans-127.9127.6151.7-66179.9000107.9
346K17.7Very low20.8Very low193 Ų193154.2 Ų154.284%0.83979%0.79SS**  trans-80.7139.5-178.9-64166.5172.1176.60110.7
347T20.1Very low20.9Very low133 Ų133151.2 Ų151.282%0.81678%0.784SS**  trans-163.1105.8150.140.50000107.8
348K19.4Very low21.1Very low199 Ų199155.4 Ų155.487%0.86580%0.797SS**  98120.277.5-136.2-176.6-170.1-176.50111.6
349S19.8Very low21.1Very low97 Ų97154.8 Ų154.868%0.67880%0.797SS**  trans69.5111.1147.6-164.50000119.7
350N24.6Very low21.3Very low154 Ų154156.2 Ų156.282%0.82480%0.804SS**  -166.2142.7104.4-91.4-7.6000112
351S22.8Very low21.3Very low108 Ų108155.9 Ų155.976%0.75580%0.802SS**  trans-71.1160.2-173.1470000114.6
352V23.5Very low21.6Very low132 Ų132154.6 Ų154.680%0.880%0.801SS**  trans112.269.9164.6-170.80000111.8
353N24.3Very low21.8Very low138 Ų138152 Ų15274%0.73880%0.804SS**  trans-141.274.3157.9-98.5-21.4000106.1
354E25.6Very low22Very low182 Ų182152.8 Ų152.885%0.8581%0.808SS**  trans-107.121179.7-151170.9-165.300112.5
355Y21.6Very low22.1Very low234 Ų234154.2 Ų154.292%0.91881%0.812SS**SBendtrans-140.616.7171.6-107.8-83.4000114.8
356L23.3Very low22.3Very low136 Ų136153.7 Ų153.771%0.71281%0.81SS**  trans-126.937.8176.6-145.880.6000112.5
357T23.7Very low22.5Very low120 Ų120153.2 Ų153.274%0.73681%0.81SS**  trans-113.627.6-177.7-35.30000113.3
358E22.9Very low22.7Very low191 Ų191153.4 Ų153.489%0.89381%0.811SS**SBendtrans-1163173.7-117.1177.4-176.900115.4
359C22Very low22.9Very low120 Ų120150.9 Ų150.981%0.81181%0.807SS**SBendtrans-127.713.5-179.7-71.10000115.8
360L21.5Very low23.2Very low163 Ų163153.8 Ų153.885%0.85381%0.81SS**  trans-120.852.4176.7-66.8174.4000112
361Q21.8Very low23.2Very low184 Ų184153.6 Ų153.686%0.8681%0.809SS**  trans-11498.5157.5-101.8176-35.800106.9
362N23.8Very low23.4Very low146 Ų146153.4 Ų153.478%0.78180%0.799SS**  trans170.168.9148.9-83.1-9000108D364N362-D364 VanDerWaalsContact C-N 3.34Å; N362-D364 PolarHBondContact O-N 2.88Å
363N21.3Very low23.7Very low168 Ų168152.8 Ų152.890%0.89879%0.79SS**  trans-88.281.2161.6-91.2-12.1000107.6T365N363-T365 PolarHBondContact O-N 2.96Å
364D24Very low23.7Very low136 Ų136152.8 Ų152.873%0.72779%0.79SS**  trans-83.2110.4161.1-78.9-33.2000108.9N362 I366N362-D364 VanDerWaalsContact C-N 3.34Å; N362-D364 PolarHBondContact O-N 2.88Å; D364-I366 PolarHBondContact O-N 3.36Å
365T20.7Very low23.7Very low142 Ų142148.7 Ų148.787%0.87177%0.774SS**  trans-42108.2162.43.20000111.3N363N363-T365 PolarHBondContact O-N 2.96Å
366I23.7Very low23.8Very low151 Ų151146.4 Ų146.477%0.77476%0.764SS**  trans-133.2125.5161.1-59.1-177.4000109.3D364D364-I366 PolarHBondContact O-N 3.36Å
367E23Very low23.8Very low183 Ų183145.9 Ų145.986%0.85576%0.762SS**  trans-49.1131.9-174.6-64.7166.9144.800113.5N369E367-N369 PolarHBondContact O-N 3.16Å
368V23Very low24Very low138 Ų138145.2 Ų145.284%0.83675%0.753SS**  trans-74.591.9177.2178.50000108.7
369N24.5Very low24.2Very low145 Ų145139.6 Ų139.678%0.77573%0.734SS**  trans-86.2115.6165-135.1-15.2000108.5E367 N371E367-N369 PolarHBondContact O-N 3.16Å; N369-N371 PolarHBondContact O-N 3.02Å
370Q26.6Very low24.3Very low158 Ų158139.2 Ų139.274%0.73872%0.724SS**THydrogen-bonded Turntrans-7520.6-159.7-142.8161-8.600115.4
371N23.8Very low24.4Very low151 Ų151138 Ų13881%0.80772%0.719SS**THydrogen-bonded Turntrans-105.510.6-176.3-81.3-11000115.4N369N369-N371 PolarHBondContact O-N 3.02Å
372N26Very low24.6Very low103 Ų103136.6 Ų136.655%0.55171%0.71SS**  trans-110.111.4-179.1-97.4-19.8000116.2N374 N375N372-N374 VanDerWaalsContact C-N 3.33Å; N372-N374 PolarHBondContact O-N 3.41Å; N372-N375 PolarHBondContact O-N 3.35Å
373I30Very low24.7Very low119 Ų119133.1 Ų133.161%0.6170%0.697SS**Hα-helixtrans-70.1-29.3176.1-66.1175.5000111.7N375I373-N375 VanDerWaalsContact C-N 3.35Å; I373-N375 PolarHBondContact O-N 3.39Å
374N24.5Very low24.8Very low138 Ų138132.5 Ų132.574%0.73869%0.694SS**Hα-helixtrans-77-16178.5-72-8.8000114.5N372N372-N374 VanDerWaalsContact C-N 3.33Å; N372-N374 PolarHBondContact O-N 3.41Å
375N26.6Very low24.9Very low96 Ų96130.1 Ų130.151%0.51369%0.688SS.*Hα-helixtrans-96.1-10.5178.2-84.4-13.7000114.3N372 I373 S379N372-N375 PolarHBondContact O-N 3.35Å; I373-N375 VanDerWaalsContact C-N 3.35Å; I373-N375 PolarHBondContact O-N 3.39Å; N375-S379 PolarHBondContact O-OG 2.96Å
376R23.2Very low25.1Very low186 Ų186131.5 Ų131.570%0.70268%0.682SS**Hα-helixtrans-82.1-27.5176.4-80.1-175176.6157.2-0113.7I378 S379 N380R376-I378 VanDerWaalsContact C-N 3.29Å; R376-I378 PolarHBondContact O-N 2.74Å; R376-S379 PolarHBondContact O-N 2.71Å; R376-N380 PolarHBondContact O-N 3.25Å
377N24.1Very low25.1Very low125 Ų125131.8 Ų131.867%0.66869%0.685SS**Hα-helixtrans-74.5-19.9172.7-70.5-5.3000112.9
378I27.2Very low25.3Very low107 Ų107129.7 Ų129.755%0.54968%0.679SS.*Hα-helixtrans-84.5-18.8174.6-59.1174.4000111.7R376R376-I378 VanDerWaalsContact C-N 3.29Å; R376-I378 PolarHBondContact O-N 2.74Å
379S26.7Very low25.6Very low72 Ų72131 Ų13150%0.50368%0.677SS.*Hα-helixtrans-98.4-25.9-173.9-56.30000113.8N375 R376 K382N375-S379 PolarHBondContact O-OG 2.96Å; R376-S379 PolarHBondContact O-N 2.71Å; S379-K382 PolarHBondContact O-N 3.37Å
380N24.2Very low26.1Very low112 Ų112128 Ų12860%0.59967%0.667SS**THydrogen-bonded Turntrans-82.4-17.7178.2-79.3-6000114.3R376 K382 S383R376-N380 PolarHBondContact O-N 3.25Å; N380-K382 VanDerWaalsContact C-N 3.25Å; N380-K382 PolarHBondContact O-N 2.65Å; N380-S383 PolarHBondContact O-OG 2.87Å
381D24.1Very low26.8Very low137 Ų137126.2 Ų126.273%0.73366%0.659SS**THydrogen-bonded Turntrans-77.7-9.2170.5-79.9-18.6000113.1
382K26.2Very low27.8Very low155 Ų155126 Ų12667%0.67465%0.653SS**THydrogen-bonded Turntrans-99.4-14.6179.4-75.6-175.6178.8177.10115S379 N380S379-K382 PolarHBondContact O-N 3.37Å; N380-K382 VanDerWaalsContact C-N 3.25Å; N380-K382 PolarHBondContact O-N 2.65Å
383S25.1Very low29Very low74 Ų74123.6 Ų123.652%0.51764%0.638SS.*THydrogen-bonded Turntrans-86.6-27.5179.952.50000113.5N380N380-S383 PolarHBondContact O-OG 2.87Å
384N23.3Very low30.3Very low154 Ų154123.5 Ų123.582%0.82464%0.638SS**THydrogen-bonded Turntrans-88.5-1.5176.4-82.9-11.7000114.8
385S26.3Very low32.2Very low87 Ų87119.7 Ų119.761%0.60863%0.631SS**THydrogen-bonded Turntrans-978.7176.7-164.90000114.1
386K24.4Very low34.3Very low171 Ų171116.9 Ų116.974%0.74362%0.616SS**SBendtrans-88.2-10.1-178-87.6-171.9174.6-176.60115.8
387N24.7Very low37.2Very low156 Ų156111.1 Ų111.183%0.83460%0.604SS**SBendtrans-110.50.4-177.7-76.4-6.3000115.4
388D26.2Very low40.2Very low139 Ų139107.9 Ų107.974%0.74359%0.586SS**  trans-121.966.9168.1-75.8-38.9000109.5S390D388-S390 PolarHBondContact O-N 3.36Å
389E29.5Very low43.1Very low167 Ų167106.5 Ų106.578%0.7858%0.583SS**  trans-67.462.5150.7-70.3-170176.700108.6Q391E389-Q391 PolarHBondContact O-N 2.96Å; E389-Q391 VanDerWaalsContact O-N 3.14Å
390S36.2Very low46Very low82 Ų82105.7 Ų105.757%0.57357%0.573SS**  trans-53.2118.3144570000104.5D388 Q392D388-S390 PolarHBondContact O-N 3.36Å; S390-Q392 PolarHBondContact O-N 3.46Å
391Q41.4Very low49Very low120 Ų120100.4 Ų100.456%0.56155%0.545SS*.  trans-58.389.5168.5-75.7170.5-34.600106E389 E393E389-Q391 PolarHBondContact O-N 2.96Å; E389-Q391 VanDerWaalsContact O-N 3.14Å; Q391-E393 PolarHBondContact O-N 3.47Å
392Q43.4Very low52.2Low147 Ų14796.7 Ų96.769%0.68752%0.521SS*.  trans-65.5111.9179.3-156.1168.416.800104.1S390 I394S390-Q392 PolarHBondContact O-N 3.46Å; Q392-I394 PolarHBondContact O-N 3.41Å
393E52.2Low55.2Low52 Ų5295.5 Ų95.524%0.24351%0.512CS..  trans-51.1115.8177.4-76.2-177.2137.500107.1R63 R64 Q391 G395R63-E393 IonicContact CZ-OE2 3.62Å; R63-E393 IonicContact NH1-OE1 3.73Å; R63-E393 IonicContact NH1-OE2 2.67Å; R63-E393 PolarHBondContact NH1-OE2 3.01Å; R64-E393 IonicContact NH2-OE1 2.68Å; R64-E393 PolarHBondContact NH2-OE1 2.85Å; R64-E393 IonicContact NH2-OE2 2.88Å; R64-E393 PolarHBondContact NH2-OE2 3.19Å; Q391-E393 PolarHBondContact O-N 3.47Å; E393-G395 PolarHBondContact O-N 3.18Å
394I56.8Low58.2Low117 Ų11792.6 Ų92.660%0.649%0.49SS*.  trans-61.8131.2-179.7-60.2169.4000106.7Q392 L396Q392-I394 PolarHBondContact O-N 3.41Å; I394-L396 HydrophobicContact CB-CG 4.46Å; I394-L396 PolarHBondContact O-N 3.26Å
395G64.6Low61.3Low58 Ų5885.5 Ų85.560%0.59845%0.453SS*.  trans-6381.8169.600000110.1E393E393-G395 PolarHBondContact O-N 3.18Å
396L70.8Confident64.3Low36 Ų3686.9 Ų86.919%0.18845%0.448CS..  trans-72.7136.9-178.3-74.5151.8000109.8I394 D400 I404 V585I394-L396 HydrophobicContact CB-CG 4.46Å; I394-L396 PolarHBondContact O-N 3.26Å; L396-D400 HydrophobicContact CD2-CB 4Å; L396-I404 HydrophobicContact CD1-CD1 3.91Å; L396-I404 HydrophobicContact CD2-CD1 3.67Å; L396-I404 HydrophobicContact CG-CD1 4.44Å; L396-V585 HydrophobicContact CD1-CG1 4.12Å
397S83.7Confident67.4Low65 Ų6579.1 Ų79.146%0.45542%0.416SS..  trans-62.6155168.1-179.90000110.5V399 D400 T401S397-V399 PolarHBondContact O-N 2.92Å; S397-D400 WeakPolarHBondContact CB-OD2 3.38Å; S397-D400 PolarHBondContact O-N 3.11Å; S397-D400 VanDerWaalsContact O-N 3.13Å; S397-T401 PolarHBondContact O-N 3.01Å; S397-T401 PolarHBondContact O-OG1 3.41Å
398L87.5Confident70.5Confident57 Ų5771.8 Ų71.830%0.29838%0.377SS..Hα-helixtrans-51.9-46.1173.9177.568.3000111.4P51 I52 S55 D400 T401 Y402P51-L398 HydrophobicContact CB-CD1 4.34Å; I52-L398 HydrophobicContact CB-CD1 4.37Å; I52-L398 HydrophobicContact CG1-CD1 3.88Å; S55-L398 WeakPolarHBondContact OG-CA 3.38Å; S55-L398 WeakPolarHBondContact OG-CB 3.08Å; S55-L398 WeakPolarHBondContact OG-CD1 3.49Å; L398-D400 PolarHBondContact O-N 3.03Å; L398-T401 PolarHBondContact O-N 3.02Å; L398-Y402 HydrophobicContact CD1-CD2 4.04Å; L398-Y402 HydrophobicContact CD1-CE2 3.67Å; L398-Y402 HydrophobicContact CG-CD2 4.1Å; L398-Y402 HydrophobicContact CG-CE2 4.02Å; L398-Y402 WeakPolarHBondContact O-CD2 3.34Å; L398-Y402 PolarHBondContact O-N 3.34Å
399V88.4Confident73.5Confident79 Ų7967.1 Ų67.148%0.47935%0.351SS..Hα-helixtrans-64.8-41.3-179.5177.90000111S397 T401 Y402 R403S397-V399 PolarHBondContact O-N 2.92Å; V399-T401 VanDerWaalsContact C-N 3.33Å; V399-Y402 PolarHBondContact O-N 2.84Å; V399-R403 HydrophobicContact CG1-CG 4.45Å; V399-R403 WeakPolarHBondContact O-CB 3.42Å; V399-R403 VanDerWaalsContact O-CG 3.29Å; V399-R403 WeakPolarHBondContact O-CG 3.47Å; V399-R403 PolarHBondContact O-N 3.34Å
400D87.6Confident76.5Confident54 Ų5469.2 Ų69.229%0.28935%0.352SS..Hα-helixtrans-65.7-40178.1-63.8-31.5000110.9L396 S397 L398 Y402 R403 I404 L730L396-D400 HydrophobicContact CD2-CB 4Å; S397-D400 WeakPolarHBondContact CB-OD2 3.38Å; S397-D400 PolarHBondContact O-N 3.11Å; S397-D400 VanDerWaalsContact O-N 3.13Å; L398-D400 PolarHBondContact O-N 3.03Å; D400-Y402 PolarHBondContact O-N 3.23Å; D400-R403 WeakPolarHBondContact O-CB 3.26Å; D400-R403 PolarHBondContact O-N 3.32Å; D400-I404 VanDerWaalsContact O-CG1 3.31Å; D400-I404 WeakPolarHBondContact O-CG1 3.35Å; D400-I404 PolarHBondContact O-N 3.34Å; D400-L730 HydrophobicContact CB-CD2 4.29Å
401T87.1Confident79.1Confident2 Ų267 Ų671%0.01233%0.334CS..Hα-helixtrans-61.6-45.2176.8-51.60000111.4P51 D54 S397 L398 V399 I404 M405 T588P51-T401 HydrophobicContact CB-CG2 3.78Å; P51-T401 HydrophobicContact CG-CG2 4.45Å; D54-T401 HydrophobicContact CB-CG2 4.44Å; S397-T401 PolarHBondContact O-N 3.01Å; S397-T401 PolarHBondContact O-OG1 3.41Å; L398-T401 PolarHBondContact O-N 3.02Å; V399-T401 VanDerWaalsContact C-N 3.33Å; T401-I404 PolarHBondContact O-N 3.27Å; T401-M405 WeakPolarHBondContact O-CB 3.4Å; T401-M405 PolarHBondContact O-N 2.89Å; T401-T588 HydrophobicContact CG2-CG2 3.94Å
402Y90.2Very high81.6Confident58 Ų5868.5 Ų68.523%0.22734%0.338CS..Hα-helixtrans-62-44.4172-85.9-73.2000112.1A48 P51 L398 V399 D400 I404 M405 F406A48-Y402 PolarHBondContact O-OH 2.92Å; P51-Y402 HydrophobicContact CB-CD1 4.12Å; P51-Y402 HydrophobicContact CB-CD2 3.77Å; P51-Y402 HydrophobicContact CB-CE1 3.99Å; P51-Y402 HydrophobicContact CB-CE2 3.66Å; P51-Y402 HydrophobicContact CB-CG 3.99Å; P51-Y402 HydrophobicContact CG-CD1 3.74Å; P51-Y402 HydrophobicContact CG-CD2 4.32Å; P51-Y402 HydrophobicContact CG-CE1 3.58Å; P51-Y402 HydrophobicContact CG-CE2 4.2Å; P51-Y402 HydrophobicContact CG-CG 4.09Å; L398-Y402 HydrophobicContact CD1-CD2 4.04Å; L398-Y402 HydrophobicContact CD1-CE2 3.67Å; L398-Y402 HydrophobicContact CG-CD2 4.1Å; L398-Y402 HydrophobicContact CG-CE2 4.02Å; L398-Y402 WeakPolarHBondContact O-CD2 3.34Å; L398-Y402 PolarHBondContact O-N 3.34Å; V399-Y402 PolarHBondContact O-N 2.84Å; D400-Y402 PolarHBondContact O-N 3.23Å; Y402-I404 VanDerWaalsContact C-N 3.31Å; Y402-I404 PolarHBondContact O-N 3.1Å; Y402-M405 HydrophobicContact CD1-CE 3.7Å; Y402-M405 HydrophobicContact CE1-CE 3.94Å; Y402-M405 PolarHBondContact O-N 3.17Å; Y402-F406 AromaticContact CD1-CE2 3.91Å; Y402-F406 HydrophobicContact CD1-CE2 3.91Å; Y402-F406 WeakPolarHBondContact O-CD2 3.46Å; Y402-F406 PolarHBondContact O-N 2.96Å
403R90.3Very high84Confident131 Ų13162.3 Ų62.349%0.49431%0.311SS..Hα-helixtrans-59.6-41.8178.2-75.9176.1-177.4-144.93.8111.8V399 D400 G407 L730V399-R403 HydrophobicContact CG1-CG 4.45Å; V399-R403 WeakPolarHBondContact O-CB 3.42Å; V399-R403 VanDerWaalsContact O-CG 3.29Å; V399-R403 WeakPolarHBondContact O-CG 3.47Å; V399-R403 PolarHBondContact O-N 3.34Å; D400-R403 WeakPolarHBondContact O-CB 3.26Å; D400-R403 PolarHBondContact O-N 3.32Å; R403-G407 PolarHBondContact O-N 3.33Å; R403-L730 HydrophobicContact CB-CD1 4.36Å; R403-L730 HydrophobicContact CB-CD2 4.5Å
404I87.8Confident85.9Confident12 Ų1259.9 Ų59.96%0.06230%0.3CS..Hα-helixtrans-61.8-51.9174-65.7168000109.9L396 D400 T401 Y402 F406 G407 V408 V585 L730L396-I404 HydrophobicContact CD1-CD1 3.91Å; L396-I404 HydrophobicContact CD2-CD1 3.67Å; L396-I404 HydrophobicContact CG-CD1 4.44Å; D400-I404 VanDerWaalsContact O-CG1 3.31Å; D400-I404 WeakPolarHBondContact O-CG1 3.35Å; D400-I404 PolarHBondContact O-N 3.34Å; T401-I404 PolarHBondContact O-N 3.27Å; Y402-I404 VanDerWaalsContact C-N 3.31Å; Y402-I404 PolarHBondContact O-N 3.1Å; I404-F406 VanDerWaalsContact C-N 3.34Å; I404-F406 PolarHBondContact O-N 2.67Å; I404-G407 CarbonylContact O-C 3.55Å; I404-G407 WeakPolarHBondContact O-CA 3.4Å; I404-G407 PolarHBondContact O-N 3.45Å; I404-V408 HydrophobicContact CG2-CG2 4.16Å; I404-V408 WeakPolarHBondContact O-CG2 3.47Å; I404-V408 PolarHBondContact O-N 3.05Å; I404-V585 HydrophobicContact CB-CG1 4.37Å; I404-V585 HydrophobicContact CD1-CG1 3.9Å; I404-V585 HydrophobicContact CD1-CG2 3.91Å; I404-V585 HydrophobicContact CG2-CB 4.23Å; I404-V585 HydrophobicContact CG2-CG1 3.9Å; I404-V585 HydrophobicContact CG2-CG2 3.99Å; I404-L730 HydrophobicContact CB-CD1 4.28Å; I404-L730 HydrophobicContact CD1-CD1 4Å; I404-L730 HydrophobicContact CG1-CD1 3.13Å
405M88.2Confident87.6Confident6 Ų660.9 Ų60.93%0.0330%0.296CS..Hα-helixtrans-56.5-47.4-178.5-174.6179.169.800111.6L47 P51 T401 Y402 G407 V408 I409 T588 L592L47-M405 HydrophobicContact CB-SD 4.48Å; P51-M405 HydrophobicContact CG-CE 3.78Å; P51-M405 HydrophobicContact CG-SD 3.82Å; T401-M405 WeakPolarHBondContact O-CB 3.4Å; T401-M405 PolarHBondContact O-N 2.89Å; Y402-M405 HydrophobicContact CD1-CE 3.7Å; Y402-M405 HydrophobicContact CE1-CE 3.94Å; Y402-M405 PolarHBondContact O-N 3.17Å; M405-G407 VanDerWaalsContact C-N 3.33Å; M405-G407 PolarHBondContact O-N 3.16Å; M405-V408 PolarHBondContact O-N 3.16Å; M405-I409 HydrophobicContact CG-CD1 4.32Å; M405-I409 WeakPolarHBondContact O-CG1 3.27Å; M405-I409 PolarHBondContact O-N 2.98Å; M405-T588 HydrophobicContact CB-CG2 4.32Å; M405-T588 HydrophobicContact SD-CG2 4.39Å; M405-L592 HydrophobicContact CG-CD1 4.3Å; M405-L592 HydrophobicContact CG-CD2 4.4Å
406F89.5Confident89Confident116 Ų11659.3 Ų59.351%0.50927%0.273SS..Hα-helixtrans-65.7-34.7175.1-76.2-63.6000112.8Y402 I404 R410Y402-F406 AromaticContact CD1-CE2 3.91Å; Y402-F406 HydrophobicContact CD1-CE2 3.91Å; Y402-F406 WeakPolarHBondContact O-CD2 3.46Å; Y402-F406 PolarHBondContact O-N 2.96Å; I404-F406 VanDerWaalsContact C-N 3.34Å; I404-F406 PolarHBondContact O-N 2.67Å; F406-R410 WeakPolarHBondContact O-CG 3.36Å; F406-R410 PolarHBondContact O-N 3.39Å
407G90.3Very high90.1Very high7 Ų757.6 Ų57.67%0.07226%0.264CS..Hα-helixtrans-62.3-45.2173.200000112.5R403 I404 M405 R410R403-G407 PolarHBondContact O-N 3.33Å; I404-G407 CarbonylContact O-C 3.55Å; I404-G407 WeakPolarHBondContact O-CA 3.4Å; I404-G407 PolarHBondContact O-N 3.45Å; M405-G407 VanDerWaalsContact C-N 3.33Å; M405-G407 PolarHBondContact O-N 3.16Å; G407-R410 WeakPolarHBondContact O-CB 3.49Å; G407-R410 PolarHBondContact O-N 2.81Å
408V89.7Confident90.5Very high3 Ų355.3 Ų55.32%0.01825%0.247CC..Hα-helixtrans-62.3-45.6175.71730000111.1I404 M405 R410 L411 V414 Y589 L592 F728I404-V408 HydrophobicContact CG2-CG2 4.16Å; I404-V408 WeakPolarHBondContact O-CG2 3.47Å; I404-V408 PolarHBondContact O-N 3.05Å; M405-V408 PolarHBondContact O-N 3.16Å; V408-R410 PolarHBondContact O-N 3.07Å; V408-L411 VanDerWaalsContact O-CB 3.3Å; V408-L411 WeakPolarHBondContact O-CB 3.3Å; V408-L411 WeakPolarHBondContact O-CG 3.17Å; V408-L411 PolarHBondContact O-N 3.44Å; V408-V414 HydrophobicContact CG1-CG2 4.01Å; V408-V414 WeakPolarHBondContact O-CG2 3.39Å; V408-Y589 HydrophobicContact CB-CE2 4.29Å; V408-Y589 HydrophobicContact CG1-CD2 4.15Å; V408-Y589 HydrophobicContact CG1-CE1 3.89Å; V408-Y589 HydrophobicContact CG1-CE2 3.51Å; V408-Y589 WeakPolarHBondContact CG1-OH 3.26Å; V408-Y589 HydrophobicContact CG2-CD2 3.96Å; V408-Y589 HydrophobicContact CG2-CE2 3.69Å; V408-L592 HydrophobicContact CB-CD2 4.13Å; V408-L592 HydrophobicContact CG1-CD2 3.64Å; V408-F728 HydrophobicContact CG2-CB 3.82Å
409I89.1Confident90.8Very high40 Ų4056.1 Ų56.121%0.20525%0.251CS..Hα-helixtrans-58.8-31.3177.2-68.5167.4000111.6M405 L411 W415 L592M405-I409 HydrophobicContact CG-CD1 4.32Å; M405-I409 WeakPolarHBondContact O-CG1 3.27Å; M405-I409 PolarHBondContact O-N 2.98Å; I409-L411 VanDerWaalsContact C-N 3.27Å; I409-L411 PolarHBondContact O-N 3.09Å; I409-W415 PolarHBondContact O-NE1 3.3Å; I409-L592 HydrophobicContact CD1-CD1 3.74Å; I409-L592 HydrophobicContact CG1-CD1 3.74Å; I409-L592 HydrophobicContact CG1-CD2 3.81Å; I409-L592 HydrophobicContact CG1-CG 4.4Å
410R91.1Very high91.1Very high212 Ų21252.4 Ų52.480%0.823%0.228SC*.THydrogen-bonded Turntrans-75.2-12.5178.4-74.5176.1176.2-174.2-0.4113.9F406 G407 V408 K412F406-R410 WeakPolarHBondContact O-CG 3.36Å; F406-R410 PolarHBondContact O-N 3.39Å; G407-R410 WeakPolarHBondContact O-CB 3.49Å; G407-R410 PolarHBondContact O-N 2.81Å; V408-R410 PolarHBondContact O-N 3.07Å; R410-K412 PolarHBondContact O-N 3.26Å
411L91.9Very high91.4Very high36 Ų3650 Ų5019%0.18822%0.215CC..  trans-68129.3179.3-63.3176.3000110.7V408 I409 V414 W415 Y726 F728V408-L411 VanDerWaalsContact O-CB 3.3Å; V408-L411 WeakPolarHBondContact O-CB 3.3Å; V408-L411 WeakPolarHBondContact O-CG 3.17Å; V408-L411 PolarHBondContact O-N 3.44Å; I409-L411 VanDerWaalsContact C-N 3.27Å; I409-L411 PolarHBondContact O-N 3.09Å; L411-V414 HydrophobicContact CB-CB 4.27Å; L411-V414 HydrophobicContact CB-CG2 3.9Å; L411-V414 HydrophobicContact CD1-CG2 4.37Å; L411-V414 WeakPolarHBondContact O-CB 3.11Å; L411-V414 PolarHBondContact O-N 3Å; L411-W415 PolarHBondContact O-N 2.94Å; L411-Y726 WeakPolarHBondContact CD1-O 3.46Å; L411-F728 HydrophobicContact CD1-CB 4.32Å
412K94.3Very high91.7Very high150 Ų15052.3 Ų52.365%0.65223%0.23SC*.Hα-helixtrans-56.1-42.8178.8-176.3179.3-176.4177.10113.2R410 V414 W415 Q416R410-K412 PolarHBondContact O-N 3.26Å; K412-V414 VanDerWaalsContact C-N 3.29Å; K412-V414 PolarHBondContact O-N 2.96Å; K412-W415 PolarHBondContact O-N 3.23Å; K412-Q416 WeakPolarHBondContact O-CB 3.43Å; K412-Q416 WeakPolarHBondContact O-CG 3.34Å; K412-Q416 PolarHBondContact O-N 3.49Å; K412-Q416 VanDerWaalsContact O-N 3.07Å
413P94Very high92Very high17 Ų1750.6 Ų50.611%0.1123%0.225CC..Hα-helixtrans-62-34.1175.4-25.637.3000113.5Q416 F417 L718 L721 A725 Y726P413-Q416 PolarHBondContact O-N 2.73Å; P413-F417 WeakPolarHBondContact O-CB 3.48Å; P413-F417 PolarHBondContact O-N 2.96Å; P413-L718 HydrophobicContact CB-CD2 4.2Å; P413-L718 WeakPolarHBondContact O-CD2 3.42Å; P413-L721 HydrophobicContact CB-CD1 3.79Å; P413-L721 HydrophobicContact CG-CD1 3.78Å; P413-A725 HydrophobicContact CG-CB 4.38Å; P413-Y726 HydrophobicContact CB-CD1 3.82Å; P413-Y726 HydrophobicContact CB-CE1 3.38Å
414V91.8Very high92.2Very high2 Ų244.4 Ų44.41%0.01220%0.202CC..Hα-helixtrans-65.6-53.3177.1175.90000109.5V408 L411 K412 Q416 F417 L418 Y726V408-V414 HydrophobicContact CG1-CG2 4.01Å; V408-V414 WeakPolarHBondContact O-CG2 3.39Å; L411-V414 HydrophobicContact CB-CB 4.27Å; L411-V414 HydrophobicContact CB-CG2 3.9Å; L411-V414 HydrophobicContact CD1-CG2 4.37Å; L411-V414 WeakPolarHBondContact O-CB 3.11Å; L411-V414 PolarHBondContact O-N 3Å; K412-V414 VanDerWaalsContact C-N 3.29Å; K412-V414 PolarHBondContact O-N 2.96Å; V414-Q416 PolarHBondContact O-N 3.49Å; V414-Q416 VanDerWaalsContact O-N 3.17Å; V414-F417 WeakPolarHBondContact O-CA 3.49Å; V414-F417 WeakPolarHBondContact O-CB 3.26Å; V414-F417 PolarHBondContact O-N 3.43Å; V414-L418 HydrophobicContact CG1-CD1 4.32Å; V414-L418 HydrophobicContact CG1-CG 4.27Å; V414-L418 VanDerWaalsContact O-CG 3.29Å; V414-L418 WeakPolarHBondContact O-CG 3.26Å; V414-L418 PolarHBondContact O-N 3.27Å; V414-Y726 HydrophobicContact CG2-CD1 4.34Å
415W91.9Very high92.6Very high138 Ų13845.4 Ų45.452%0.52321%0.206SC..Hα-helixtrans-53.1-40.2174.9-89.6102.4000113.4I409 L411 K412 L418 I419I409-W415 PolarHBondContact O-NE1 3.3Å; L411-W415 PolarHBondContact O-N 2.94Å; K412-W415 PolarHBondContact O-N 3.23Å; W415-L418 PolarHBondContact O-N 3.46Å; W415-I419 VanDerWaalsContact O-CG1 3.26Å; W415-I419 WeakPolarHBondContact O-CG1 3.49Å; W415-I419 PolarHBondContact O-N 2.95Å
416Q94.3Very high92.9Very high25 Ų2547.1 Ų47.112%0.11722%0.217CC..Hα-helixtrans-65.1-45177.6-74.9171.3-7.300111.6K412 P413 V414 L418 I419 L420 M714 L718K412-Q416 WeakPolarHBondContact O-CB 3.43Å; K412-Q416 WeakPolarHBondContact O-CG 3.34Å; K412-Q416 PolarHBondContact O-N 3.49Å; K412-Q416 VanDerWaalsContact O-N 3.07Å; P413-Q416 PolarHBondContact O-N 2.73Å; V414-Q416 PolarHBondContact O-N 3.49Å; V414-Q416 VanDerWaalsContact O-N 3.17Å; Q416-L418 VanDerWaalsContact C-N 3.32Å; Q416-L418 PolarHBondContact O-N 3.07Å; Q416-I419 PolarHBondContact O-N 3.3Å; Q416-L420 WeakPolarHBondContact O-CB 3.21Å; Q416-L420 PolarHBondContact O-N 3.11Å; Q416-M714 VanDerWaalsContact C-CE 3.45Å; Q416-M714 HydrophobicContact CB-CE 3.55Å; Q416-M714 HydrophobicContact CG-CE 3.87Å; Q416-M714 WeakPolarHBondContact O-CE 3.45Å; Q416-L718 HydrophobicContact CB-CD1 4.35Å; Q416-L718 HydrophobicContact CB-CD2 3.85Å; Q416-L718 HydrophobicContact CB-CG 4.47Å
417F93.7Very high93.1Very high0 Ų041.6 Ų41.60%019%0.192CC..Hα-helixtrans-61-40.9173.3178.3-115.9000112.4P413 V414 L420 L421 L477 F576 H577 L593 L718P413-F417 WeakPolarHBondContact O-CB 3.48Å; P413-F417 PolarHBondContact O-N 2.96Å; V414-F417 WeakPolarHBondContact O-CA 3.49Å; V414-F417 WeakPolarHBondContact O-CB 3.26Å; V414-F417 PolarHBondContact O-N 3.43Å; F417-L420 HydrophobicContact CD2-CD2 4.44Å; F417-L420 WeakPolarHBondContact O-CB 3.23Å; F417-L420 PolarHBondContact O-N 3Å; F417-L421 HydrophobicContact CD1-CD1 4.15Å; F417-L421 HydrophobicContact CD2-CG 4.27Å; F417-L421 HydrophobicContact CE1-CD1 3.43Å; F417-L421 VanDerWaalsContact CE1-CD1 3.43Å; F417-L421 HydrophobicContact CE1-CG 4.12Å; F417-L421 HydrophobicContact CE2-CD1 3.94Å; F417-L421 HydrophobicContact CE2-CD2 3.93Å; F417-L421 HydrophobicContact CE2-CG 3.75Å; F417-L421 HydrophobicContact CZ-CD1 3.32Å; F417-L421 HydrophobicContact CZ-CD2 3.99Å; F417-L421 HydrophobicContact CZ-CG 3.69Å; F417-L421 PolarHBondContact O-N 3.26Å; F417-L477 HydrophobicContact CD2-CD1 4.41Å; F417-L477 HydrophobicContact CD2-CD2 4.25Å; F417-L477 HydrophobicContact CE2-CD2 3.76Å; F417-F576 HydrophobicContact CD1-CE1 4.25Å; F417-F576 HydrophobicContact CD2-CD1 4Å; F417-F576 AromaticContact CD2-CE1 3.51Å; F417-F576 HydrophobicContact CD2-CE1 3.51Å; F417-F576 HydrophobicContact CD2-CZ 4.44Å; F417-F576 HydrophobicContact CE1-CD1 4.24Å; F417-F576 HydrophobicContact CE1-CE1 4.23Å; F417-F576 AromaticContact CE2-CD1 3.47Å; F417-F576 HydrophobicContact CE2-CD1 3.47Å; F417-F576 VanDerWaalsContact CE2-CD1 3.47Å; F417-F576 AromaticContact CE2-CE1 3.51Å; F417-F576 HydrophobicContact CE2-CE1 3.51Å; F417-F576 AromaticContact CG-CE1 3.89Å; F417-F576 HydrophobicContact CG-CE1 3.89Å; F417-F576 AromaticContact CZ-CD1 3.58Å; F417-F576 HydrophobicContact CZ-CD1 3.58Å; F417-F576 AromaticContact CZ-CE1 3.85Å; F417-F576 HydrophobicContact CZ-CE1 3.85Å; F417-H577 AromaticContact CE1-CD2 3.71Å; F417-H577 AromaticContact CE1-NE2 3.45Å; F417-H577 WeakPolarHBondContact CE1-NE2 3.46Å; F417-H577 AromaticContact CZ-CD2 3.6Å; F417-H577 AromaticContact CZ-NE2 3.37Å; F417-H577 WeakPolarHBondContact CZ-NE2 3.35Å; F417-L593 HydrophobicContact CD1-CD2 4.08Å; F417-L593 HydrophobicContact CE1-CD2 4.05Å; F417-L718 HydrophobicContact CB-CD1 4.02Å; F417-L718 HydrophobicContact CD2-CD1 4.45Å
418L91.4Very high93.4Very high17 Ų1741.4 Ų41.49%0.08919%0.189CC..Hα-helixtrans-63.6-43.3178.2-60.2-172.8000112.3V414 W415 Q416 L421 T422 V596V414-L418 HydrophobicContact CG1-CD1 4.32Å; V414-L418 HydrophobicContact CG1-CG 4.27Å; V414-L418 VanDerWaalsContact O-CG 3.29Å; V414-L418 WeakPolarHBondContact O-CG 3.26Å; V414-L418 PolarHBondContact O-N 3.27Å; W415-L418 PolarHBondContact O-N 3.46Å; Q416-L418 VanDerWaalsContact C-N 3.32Å; Q416-L418 PolarHBondContact O-N 3.07Å; L418-L421 PolarHBondContact O-N 3.34Å; L418-T422 WeakPolarHBondContact O-CB 3.34Å; L418-T422 PolarHBondContact O-N 2.9Å; L418-T422 PolarHBondContact O-OG1 3.06Å; L418-V596 HydrophobicContact CB-CG1 4.22Å; L418-V596 HydrophobicContact CD1-CG1 3.91Å; L418-V596 HydrophobicContact CD1-CG2 4.24Å; L418-V596 HydrophobicContact CD2-CB 3.63Å; L418-V596 HydrophobicContact CD2-CG1 3.28Å; L418-V596 HydrophobicContact CD2-CG2 4.05Å; L418-V596 HydrophobicContact CG-CG1 3.92Å
419I94.3Very high93.5Very high74 Ų7441.3 Ų41.338%0.37919%0.189SC..Hα-helixtrans-64.1-45.6176.5-66.3163.5000109.8W415 Q416 L421 T422 T423 F710 M714W415-I419 VanDerWaalsContact O-CG1 3.26Å; W415-I419 WeakPolarHBondContact O-CG1 3.49Å; W415-I419 PolarHBondContact O-N 2.95Å; Q416-I419 PolarHBondContact O-N 3.3Å; I419-L421 PolarHBondContact O-N 3.34Å; I419-T422 PolarHBondContact O-N 3.05Å; I419-T423 WeakPolarHBondContact O-CB 3.07Å; I419-T423 PolarHBondContact O-N 3.46Å; I419-T423 PolarHBondContact O-OG1 3.26Å; I419-F710 HydrophobicContact CG2-CE1 3.79Å; I419-F710 HydrophobicContact CG2-CZ 3.53Å; I419-M714 HydrophobicContact CB-CE 4.18Å; I419-M714 HydrophobicContact CG2-CE 4.39Å
420L95.2Very high93.6Very high0 Ų039.4 Ų39.40%018%0.18CC..Hα-helixtrans-54.6-51.6176.5-179.4121.6000111.9Q416 F417 V424 F480 L711 M714 A715Q416-L420 WeakPolarHBondContact O-CB 3.21Å; Q416-L420 PolarHBondContact O-N 3.11Å; F417-L420 HydrophobicContact CD2-CD2 4.44Å; F417-L420 WeakPolarHBondContact O-CB 3.23Å; F417-L420 PolarHBondContact O-N 3Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 3.03Å; L420-V424 VanDerWaalsContact O-N 3.07Å; L420-F480 HydrophobicContact CD2-CE1 4.41Å; L420-L711 HydrophobicContact CG-CD2 4.39Å; L420-M714 HydrophobicContact CB-CG 4.37Å; L420-M714 HydrophobicContact CB-SD 3.79Å; L420-M714 HydrophobicContact CD1-CB 3.93Å; L420-M714 HydrophobicContact CD1-CG 3.83Å; L420-M714 HydrophobicContact CD1-SD 4.09Å; L420-A715 HydrophobicContact CD1-CB 3.89Å
421L93.9Very high93.6Very high3 Ų329.4 Ų29.42%0.01614%0.142CC..Hα-helixtrans-62-46.5178.8-73.9-174.2000112.1F417 L418 I419 T423 V424 K425 F480 Q573F417-L421 HydrophobicContact CD1-CD1 4.15Å; F417-L421 HydrophobicContact CD2-CG 4.27Å; F417-L421 HydrophobicContact CE1-CD1 3.43Å; F417-L421 VanDerWaalsContact CE1-CD1 3.43Å; F417-L421 HydrophobicContact CE1-CG 4.12Å; F417-L421 HydrophobicContact CE2-CD1 3.94Å; F417-L421 HydrophobicContact CE2-CD2 3.93Å; F417-L421 HydrophobicContact CE2-CG 3.75Å; F417-L421 HydrophobicContact CZ-CD1 3.32Å; F417-L421 HydrophobicContact CZ-CD2 3.99Å; F417-L421 HydrophobicContact CZ-CG 3.69Å; F417-L421 PolarHBondContact O-N 3.26Å; L418-L421 PolarHBondContact O-N 3.34Å; I419-L421 PolarHBondContact O-N 3.34Å; L421-T423 PolarHBondContact O-N 3.32Å; L421-V424 PolarHBondContact O-N 2.97Å; L421-K425 VanDerWaalsContact O-CG 3.27Å; L421-K425 WeakPolarHBondContact O-CG 3.48Å; L421-K425 PolarHBondContact O-N 2.98Å; L421-F480 HydrophobicContact CD2-CE1 4.29Å; L421-F480 HydrophobicContact CD2-CZ 3.97Å; L421-Q573 HydrophobicContact CD2-CG 4.13Å
422T93.6Very high93.5Very high52 Ų5230.7 Ų30.732%0.31915%0.147SC..Hα-helixtrans-62.1-45.8-178.4-550000111.1L418 I419 V424 K425 V426L418-T422 WeakPolarHBondContact O-CB 3.34Å; L418-T422 PolarHBondContact O-N 2.9Å; L418-T422 PolarHBondContact O-OG1 3.06Å; I419-T422 PolarHBondContact O-N 3.05Å; T422-V424 PolarHBondContact O-N 3.14Å; T422-K425 PolarHBondContact O-N 2.94Å; T422-V426 HydrophobicContact CG2-CG2 4.42Å; T422-V426 VanDerWaalsContact O-CG2 3.28Å; T422-V426 WeakPolarHBondContact O-CG2 3.35Å; T422-V426 PolarHBondContact O-N 3.37Å
423T95.5Very high93.1Very high21 Ų2124.8 Ų24.813%0.12912%0.124CC..Hα-helixtrans-60.5-45.4176.7-600000111.6I419 L421 K425 V426 C427 F702 V706 F710 L711I419-T423 WeakPolarHBondContact O-CB 3.07Å; I419-T423 PolarHBondContact O-N 3.46Å; I419-T423 PolarHBondContact O-OG1 3.26Å; L421-T423 PolarHBondContact O-N 3.32Å; T423-K425 PolarHBondContact O-N 3.31Å; T423-V426 PolarHBondContact O-N 3.2Å; T423-C427 PolarHBondContact O-N 3.14Å; T423-C427 PolarHBondContact O-SG 3.4Å; T423-F702 HydrophobicContact CG2-CE1 4.08Å; T423-F702 HydrophobicContact CG2-CZ 4.38Å; T423-V706 HydrophobicContact CG2-CB 4.47Å; T423-V706 HydrophobicContact CG2-CG1 3.55Å; T423-F710 HydrophobicContact CG2-CD1 4.46Å; T423-L711 HydrophobicContact CG2-CD1 4.42Å; T423-L711 HydrophobicContact CG2-CD2 3.72Å; T423-L711 HydrophobicContact CG2-CG 4.27Å
424V95.8Very high92.8Very high1 Ų124 Ų241%0.00612%0.118CC..Hα-helixtrans-59.7-44.7176.3163.50000111.7L420 L421 T422 C427 L428 F480 F484 M569 L711L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 3.03Å; L420-V424 VanDerWaalsContact O-N 3.07Å; L421-V424 PolarHBondContact O-N 2.97Å; T422-V424 PolarHBondContact O-N 3.14Å; V424-C427 PolarHBondContact O-N 3.4Å; V424-L428 HydrophobicContact CG1-CD1 4.19Å; V424-F480 HydrophobicContact CB-CE1 4.42Å; V424-F480 HydrophobicContact CG1-CE1 4.04Å; V424-F480 HydrophobicContact CG1-CZ 3.97Å; V424-F480 HydrophobicContact CG2-CE1 4.14Å; V424-F484 HydrophobicContact CB-CD2 4.38Å; V424-F484 HydrophobicContact CB-CE2 4.31Å; V424-F484 HydrophobicContact CG1-CD2 3.61Å; V424-F484 HydrophobicContact CG1-CE2 3.85Å; V424-F484 HydrophobicContact CG1-CG 4.46Å; V424-F484 HydrophobicContact CG2-CD2 4.2Å; V424-F484 HydrophobicContact CG2-CE2 4.29Å; V424-F484 HydrophobicContact CG2-CG 4.44Å; V424-M569 HydrophobicContact CG1-CE 4.05Å; V424-L711 HydrophobicContact CG2-CD1 3.79Å; V424-L711 HydrophobicContact CG2-CD2 3.91Å; V424-L711 HydrophobicContact CG2-CG 4.44Å
425K94.5Very high92.8Very high34 Ų3424.5 Ų24.515%0.14812%0.12CC..Hα-helixtrans-67.1-40179.9-67.8-70-176.4177.30112.2L421 T422 T423 C427 L428 A429 A600L421-K425 VanDerWaalsContact O-CG 3.27Å; L421-K425 WeakPolarHBondContact O-CG 3.48Å; L421-K425 PolarHBondContact O-N 2.98Å; T422-K425 PolarHBondContact O-N 2.94Å; T423-K425 PolarHBondContact O-N 3.31Å; K425-C427 VanDerWaalsContact C-N 3.29Å; K425-C427 PolarHBondContact O-N 2.98Å; K425-L428 PolarHBondContact O-N 2.87Å; K425-L428 VanDerWaalsContact O-N 3.11Å; K425-A429 WeakPolarHBondContact O-CB 3.33Å; K425-A429 PolarHBondContact O-N 3.23Å; K425-A600 WeakPolarHBondContact CB-O 3.25Å; K425-A600 HydrophobicContact CG-CB 4.19Å
426V94.4Very high92.6Very high42 Ų4218.9 Ų18.926%0.25510%0.102SC..Hα-helixtrans-58-40.8174.9169.10000111.6T422 T423 L428 P604 F702T422-V426 HydrophobicContact CG2-CG2 4.42Å; T422-V426 VanDerWaalsContact O-CG2 3.28Å; T422-V426 WeakPolarHBondContact O-CG2 3.35Å; T422-V426 PolarHBondContact O-N 3.37Å; T423-V426 PolarHBondContact O-N 3.2Å; V426-L428 PolarHBondContact O-N 3.03Å; V426-P604 HydrophobicContact CG2-CB 3.98Å; V426-P604 HydrophobicContact CG2-CG 3.54Å; V426-F702 HydrophobicContact CG1-CD1 4.46Å; V426-F702 HydrophobicContact CG1-CE1 4.29Å
427C95.3Very high92.2Very high0 Ų018.3 Ų18.30%010%0.1CC..Hα-helixtrans-65.8-20.5179.6-59.80000113.7T423 V424 K425 F484 L488 F702 G703T423-C427 PolarHBondContact O-N 3.14Å; T423-C427 PolarHBondContact O-SG 3.4Å; V424-C427 PolarHBondContact O-N 3.4Å; K425-C427 VanDerWaalsContact C-N 3.29Å; K425-C427 PolarHBondContact O-N 2.98Å; C427-F484 HydrophobicContact CB-CE2 4.07Å; C427-F484 HydrophobicContact CB-CZ 3.84Å; C427-L488 HydrophobicContact CB-CD1 4.4Å; C427-F702 VanDerWaalsContact SG-CD1 3.56Å; C427-G703 WeakPolarHBondContact SG-CA 3.2Å
428L94.9Very high91.9Very high2 Ų218.3 Ų18.31%0.0110%0.1CC..Hα-helixtrans-113.1-18.4-173.2-62.6170.7000113V424 K425 V426 P431 E432 F484 R487 L488 T491V424-L428 HydrophobicContact CG1-CD1 4.19Å; K425-L428 PolarHBondContact O-N 2.87Å; K425-L428 VanDerWaalsContact O-N 3.11Å; V426-L428 PolarHBondContact O-N 3.03Å; L428-P431 WeakPolarHBondContact O-CD 3.5Å; L428-P431 WeakPolarHBondContact O-CG 3.42Å; L428-E432 WeakPolarHBondContact CB-OE1 3.36Å; L428-E432 WeakPolarHBondContact O-CB 3.48Å; L428-E432 WeakPolarHBondContact O-CG 3.35Å; L428-E432 PolarHBondContact O-N 3.44Å; L428-F484 HydrophobicContact CD1-CD2 3.9Å; L428-F484 HydrophobicContact CD1-CE2 3.86Å; L428-F484 HydrophobicContact CD2-CE2 4.22Å; L428-F484 HydrophobicContact CG-CD2 4.42Å; L428-F484 HydrophobicContact CG-CE2 3.91Å; L428-R487 HydrophobicContact CD1-CG 4.22Å; L428-R487 HydrophobicContact CD2-CG 4.03Å; L428-L488 HydrophobicContact CD2-CD1 4.24Å; L428-T491 HydrophobicContact CD2-CG2 4.31Å
429A92.7Very high91.8Very high2 Ų217.5 Ų17.52%0.01710%0.096CC..Hα-helixtrans-61.3-52.6-17000000114.1K425 E432 T433 P604 F608K425-A429 WeakPolarHBondContact O-CB 3.33Å; K425-A429 PolarHBondContact O-N 3.23Å; A429-E432 PolarHBondContact O-N 3.49Å; A429-E432 VanDerWaalsContact O-N 3.17Å; A429-T433 WeakPolarHBondContact O-CG2 3.29Å; A429-T433 PolarHBondContact O-N 2.86Å; A429-T433 PolarHBondContact O-OG1 3.35Å; A429-P604 HydrophobicContact CB-CB 3.71Å; A429-F608 HydrophobicContact CB-CD2 3.86Å; A429-F608 HydrophobicContact CB-CE2 4.08Å
430A91.8Very high91.4Very high0 Ų015.2 Ų15.20%08%0.084CC..Hα-helixtrans-54.7-53.1-176.900000113.9E432 T433 I434 F608 E695 V696A430-E432 VanDerWaalsContact C-N 3.32Å; A430-E432 PolarHBondContact O-N 3.05Å; A430-T433 PolarHBondContact O-N 3.43Å; A430-T433 PolarHBondContact O-OG1 3.24Å; A430-I434 HydrophobicContact CB-CD1 4.4Å; A430-I434 WeakPolarHBondContact O-CB 3.24Å; A430-I434 WeakPolarHBondContact O-CG1 3.45Å; A430-I434 PolarHBondContact O-N 3.04Å; A430-I434 VanDerWaalsContact O-N 3.08Å; A430-F608 HydrophobicContact CB-CB 4.17Å; A430-F608 HydrophobicContact CB-CD1 3.73Å; A430-F608 HydrophobicContact CB-CD2 3.99Å; A430-F608 HydrophobicContact CB-CE1 4.03Å; A430-F608 HydrophobicContact CB-CE2 4.3Å; A430-F608 HydrophobicContact CB-CG 3.71Å; A430-F608 HydrophobicContact CB-CZ 4.32Å; A430-E695 HydrophobicContact CB-CB 4.19Å; A430-V696 HydrophobicContact CB-CG2 4.27Å
431P90.8Very high90.7Very high2 Ų218.9 Ų18.91%0.01310%0.101CC..Hα-helixtrans-69.1-2817822.4-30.9000113.1L428 F435 T491 T494 V696L428-P431 WeakPolarHBondContact O-CD 3.5Å; L428-P431 WeakPolarHBondContact O-CG 3.42Å; P431-F435 WeakPolarHBondContact O-CB 3.35Å; P431-F435 PolarHBondContact O-N 2.85Å; P431-T491 HydrophobicContact CB-CG2 3.51Å; P431-T491 HydrophobicContact CG-CG2 3.01Å; P431-T494 HydrophobicContact CB-CG2 4.16Å; P431-V696 HydrophobicContact CB-CG1 3.86Å; P431-V696 HydrophobicContact CB-CG2 4.03Å; P431-V696 HydrophobicContact CG-CG1 4.2Å
432E89.1Confident90.2Very high62 Ų6220.1 Ų20.129%0.2911%0.107SC..Hα-helixtrans-71.3-39.2177.5-71.4-179-17700112.2L428 A429 A430 R487 Y562L428-E432 WeakPolarHBondContact CB-OE1 3.36Å; L428-E432 WeakPolarHBondContact O-CB 3.48Å; L428-E432 WeakPolarHBondContact O-CG 3.35Å; L428-E432 PolarHBondContact O-N 3.44Å; A429-E432 PolarHBondContact O-N 3.49Å; A429-E432 VanDerWaalsContact O-N 3.17Å; A430-E432 VanDerWaalsContact C-N 3.32Å; A430-E432 PolarHBondContact O-N 3.05Å; E432-R487 IonicContact OE1-CZ 3.14Å; E432-R487 VanDerWaalsContact OE1-CZ 3.32Å; E432-R487 IonicContact OE1-NE 2.61Å; E432-R487 PolarHBondContact OE1-NE 3.06Å; E432-R487 VanDerWaalsContact OE1-NE 3.15Å; E432-R487 IonicContact OE1-NH2 4Å; E432-R487 PolarHBondContact OE1-NH2 2.94Å; E432-R487 IonicContact OE2-NH2 3.54Å; E432-Y562 HydrophobicContact CG-CE2 4.02Å; E432-Y562 WeakPolarHBondContact CG-OH 3.34Å; E432-Y562 PolarHBondContact OE1-OH 3.37Å; E432-Y562 PolarHBondContact OE2-OH 2.96Å
433T86.4Confident89.6Confident27 Ų2718.6 Ų18.617%0.16610%0.101CC..Hα-helixtrans-86.5-34.1-173.757.60000113.2A429 A430 L437 S605A429-T433 WeakPolarHBondContact O-CG2 3.29Å; A429-T433 PolarHBondContact O-N 2.86Å; A429-T433 PolarHBondContact O-OG1 3.35Å; A430-T433 PolarHBondContact O-N 3.43Å; A430-T433 PolarHBondContact O-OG1 3.24Å; T433-L437 WeakPolarHBondContact O-CD1 2.89Å; T433-L437 WeakPolarHBondContact O-CG 3.37Å; T433-S605 VanDerWaalsContact CG2-CB 3.44Å; T433-S605 WeakPolarHBondContact CG2-OG 3.34Å
434I88.1Confident89.1Confident0 Ų017.7 Ų17.70%010%0.096CC..Hα-helixtrans-95.7-25.6-171.5-53.3165.1000112.1A430 S436 L437 K438 L609 I612 F692 E695A430-I434 HydrophobicContact CB-CD1 4.4Å; A430-I434 WeakPolarHBondContact O-CB 3.24Å; A430-I434 WeakPolarHBondContact O-CG1 3.45Å; A430-I434 PolarHBondContact O-N 3.04Å; A430-I434 VanDerWaalsContact O-N 3.08Å; I434-S436 PolarHBondContact O-N 3.38Å; I434-L437 PolarHBondContact O-N 3.44Å; I434-L437 VanDerWaalsContact O-N 3.16Å; I434-K438 HydrophobicContact CG2-CB 4.48Å; I434-K438 WeakPolarHBondContact O-CB 3.28Å; I434-K438 PolarHBondContact O-N 3.03Å; I434-L609 HydrophobicContact CG1-CD2 4.11Å; I434-I612 HydrophobicContact CD1-CD1 4.22Å; I434-I612 HydrophobicContact CG1-CD1 4.44Å; I434-I612 HydrophobicContact CG2-CD1 3.6Å; I434-F692 HydrophobicContact CB-CD2 3.79Å; I434-F692 HydrophobicContact CB-CE2 4.06Å; I434-F692 HydrophobicContact CD1-CD2 4.44Å; I434-F692 HydrophobicContact CG2-CB 4.38Å; I434-F692 HydrophobicContact CG2-CD2 3.33Å; I434-F692 HydrophobicContact CG2-CE2 3.93Å; I434-F692 HydrophobicContact CG2-CG 4.18Å; I434-E695 VanDerWaalsContact CD1-OE2 3.22Å; I434-E695 WeakPolarHBondContact CD1-OE2 3.41Å
435F91.6Very high88.4Confident12 Ų1218.1 Ų18.15%0.05310%0.099CC..Hα-helixtrans-55.4-50.8-172174.5-117.9000114.7P431 L437 K438 L439 T494 I497 V498 L555 K558 L559P431-F435 WeakPolarHBondContact O-CB 3.35Å; P431-F435 PolarHBondContact O-N 2.85Å; F435-L437 VanDerWaalsContact C-N 3.32Å; F435-L437 PolarHBondContact O-N 3.37Å; F435-K438 PolarHBondContact O-N 2.91Å; F435-L439 HydrophobicContact CD1-CD1 4.3Å; F435-L439 HydrophobicContact CD2-CD1 4.37Å; F435-L439 HydrophobicContact CD2-CG 4.39Å; F435-L439 HydrophobicContact CE1-CD1 3.76Å; F435-L439 HydrophobicContact CE2-CD1 3.89Å; F435-L439 HydrophobicContact CE2-CD2 4.44Å; F435-L439 HydrophobicContact CE2-CG 4.14Å; F435-L439 HydrophobicContact CZ-CD1 3.58Å; F435-L439 HydrophobicContact CZ-CG 4.33Å; F435-L439 WeakPolarHBondContact O-CG 3.31Å; F435-L439 PolarHBondContact O-N 2.89Å; F435-T494 HydrophobicContact CB-CG2 3.91Å; F435-T494 HydrophobicContact CD2-CG2 3.26Å; F435-T494 HydrophobicContact CE2-CG2 3.95Å; F435-T494 HydrophobicContact CG-CG2 3.88Å; F435-I497 HydrophobicContact CE2-CG2 4.04Å; F435-I497 HydrophobicContact CZ-CG2 4.24Å; F435-V498 HydrophobicContact CD2-CG2 3.51Å; F435-V498 HydrophobicContact CE2-CG2 3.67Å; F435-L555 HydrophobicContact CE1-CD1 3.92Å; F435-L555 HydrophobicContact CZ-CD1 3.5Å; F435-L555 VanDerWaalsContact CZ-CD1 3.5Å; F435-K558 HydrophobicContact CZ-CD 4.36Å; F435-L559 HydrophobicContact CE1-CD2 4.09Å
436S88.1Confident87.6Confident21 Ų2119.2 Ų19.215%0.14710%0.103CC..Hα-helixtrans-63.1-42.3179.650.80000111.2I434 K438 L439 I440I434-S436 PolarHBondContact O-N 3.38Å; S436-K438 VanDerWaalsContact C-N 3.28Å; S436-K438 PolarHBondContact O-N 3.26Å; S436-L439 PolarHBondContact O-N 3.49Å; S436-I440 WeakPolarHBondContact O-CG1 3.42Å; S436-I440 PolarHBondContact O-N 3.43Å; S436-I440 VanDerWaalsContact O-N 3.1Å
437L85.1Confident86.6Confident12 Ų1219.4 Ų19.46%0.06310%0.102CC..Hα-helixtrans-62-41.8179.3-30.2-176.8000109.9Y30 T433 I434 F435 I440 E441 L609Y30-L437 HydrophobicContact CD1-CD1 4.29Å; Y30-L437 HydrophobicContact CE1-CB 4.24Å; Y30-L437 HydrophobicContact CE1-CD1 3.87Å; T433-L437 WeakPolarHBondContact O-CD1 2.89Å; T433-L437 WeakPolarHBondContact O-CG 3.37Å; I434-L437 PolarHBondContact O-N 3.44Å; I434-L437 VanDerWaalsContact O-N 3.16Å; F435-L437 VanDerWaalsContact C-N 3.32Å; F435-L437 PolarHBondContact O-N 3.37Å; L437-I440 PolarHBondContact O-N 2.94Å; L437-E441 PolarHBondContact O-N 3.32Å; L437-L609 HydrophobicContact CD1-CD2 3.64Å
438K88.2Confident86.1Confident1 Ų123 Ų230%0.00412%0.115CC..Hα-helixtrans-73-31.8-178.9-160.759.5176.5-172.40113.2I434 F435 S436 I440 E441 H442 V498 D690 F692I434-K438 HydrophobicContact CG2-CB 4.48Å; I434-K438 WeakPolarHBondContact O-CB 3.28Å; I434-K438 PolarHBondContact O-N 3.03Å; F435-K438 PolarHBondContact O-N 2.91Å; S436-K438 VanDerWaalsContact C-N 3.28Å; S436-K438 PolarHBondContact O-N 3.26Å; K438-I440 VanDerWaalsContact C-N 3.34Å; K438-E441 HydrophobicContact CD-CB 4.31Å; K438-E441 WeakPolarHBondContact CD-OE2 3.33Å; K438-E441 IonicContact NZ-OE1 2.72Å; K438-E441 PolarHBondContact NZ-OE1 3Å; K438-E441 IonicContact NZ-OE2 2.76Å; K438-E441 PolarHBondContact NZ-OE2 3.41Å; K438-E441 VanDerWaalsContact NZ-OE2 3.14Å; K438-H442 PolarHBondContact O-N 3.21Å; K438-H442 VanDerWaalsContact O-N 3.09Å; K438-H442 PolarHBondContact O-ND1 2.88Å; K438-V498 HydrophobicContact CB-CG1 4.08Å; K438-V498 HydrophobicContact CG-CG1 3.4Å; K438-D690 WeakPolarHBondContact CE-OD2 3.23Å; K438-D690 IonicContact NZ-OD1 3.3Å; K438-D690 PolarHBondContact NZ-OD1 3.29Å; K438-D690 IonicContact NZ-OD2 3.34Å; K438-D690 PolarHBondContact NZ-OD2 3.39Å; K438-F692 HydrophobicContact CG-CD1 4.16Å; K438-F692 HydrophobicContact CG-CE1 4.36Å; K438-F692 HydrophobicContact CG-CG 4.34Å
439L89.6Confident85.6Confident0 Ų023.8 Ų23.80%012%0.119CC..Hα-helixtrans-63.9-41.9170.3-73.9178.4000111.4F435 S436 H442 G443 F444 L449 V498 T501 F551 L555F435-L439 HydrophobicContact CD1-CD1 4.3Å; F435-L439 HydrophobicContact CD2-CD1 4.37Å; F435-L439 HydrophobicContact CD2-CG 4.39Å; F435-L439 HydrophobicContact CE1-CD1 3.76Å; F435-L439 HydrophobicContact CE2-CD1 3.89Å; F435-L439 HydrophobicContact CE2-CD2 4.44Å; F435-L439 HydrophobicContact CE2-CG 4.14Å; F435-L439 HydrophobicContact CZ-CD1 3.58Å; F435-L439 HydrophobicContact CZ-CG 4.33Å; F435-L439 WeakPolarHBondContact O-CG 3.31Å; F435-L439 PolarHBondContact O-N 2.89Å; S436-L439 PolarHBondContact O-N 3.49Å; L439-H442 CarbonylContact O-C 3.59Å; L439-H442 WeakPolarHBondContact O-CA 3.27Å; L439-H442 PolarHBondContact O-N 2.88Å; L439-G443 PolarHBondContact O-N 3.33Å; L439-F444 HydrophobicContact CB-CB 4.11Å; L439-F444 WeakPolarHBondContact O-CB 3.41Å; L439-F444 PolarHBondContact O-N 3.17Å; L439-L449 HydrophobicContact CB-CD1 4.35Å; L439-L449 HydrophobicContact CD1-CD2 3.89Å; L439-V498 HydrophobicContact CD2-CG2 4.28Å; L439-T501 HydrophobicContact CD2-CG2 4.15Å; L439-T501 WeakPolarHBondContact CD2-OG1 3.26Å; L439-F551 HydrophobicContact CD2-CZ 4.28Å; L439-L555 HydrophobicContact CD1-CD1 4Å; L439-L555 HydrophobicContact CD1-CD2 3.98Å
440I84.1Confident85Confident26 Ų2623.9 Ų23.913%0.13312%0.12CC..Hα-helixtrans-67.4-40.4178-67.2165.6000110.9F19 Q22 S436 L437 K438 H442 G443 K446 L449F19-I440 HydrophobicContact CD1-CD1 4.13Å; F19-I440 HydrophobicContact CE1-CD1 4.19Å; Q22-I440 HydrophobicContact CB-CG2 4.06Å; S436-I440 WeakPolarHBondContact O-CG1 3.42Å; S436-I440 PolarHBondContact O-N 3.43Å; S436-I440 VanDerWaalsContact O-N 3.1Å; L437-I440 PolarHBondContact O-N 2.94Å; K438-I440 VanDerWaalsContact C-N 3.34Å; I440-H442 PolarHBondContact O-N 3.31Å; I440-G443 WeakPolarHBondContact O-CA 3.42Å; I440-G443 PolarHBondContact O-N 3.35Å; I440-K446 HydrophobicContact CD1-CB 3.83Å; I440-K446 HydrophobicContact CG1-CB 4.25Å; I440-L449 HydrophobicContact CD1-CD1 3.76Å; I440-L449 HydrophobicContact CG1-CD1 3.63Å
441E81.1Confident84.6Confident76 Ų7627.3 Ų27.336%0.35514%0.138SC..Hα-helixtrans-59-34.3172.4-167.8-176.5143.700111.7Y30 L437 K438 G443Y30-E441 PolarHBondContact OH-OE2 3.5Å; L437-E441 PolarHBondContact O-N 3.32Å; K438-E441 HydrophobicContact CD-CB 4.31Å; K438-E441 WeakPolarHBondContact CD-OE2 3.33Å; K438-E441 IonicContact NZ-OE1 2.72Å; K438-E441 PolarHBondContact NZ-OE1 3Å; K438-E441 IonicContact NZ-OE2 2.76Å; K438-E441 PolarHBondContact NZ-OE2 3.41Å; K438-E441 VanDerWaalsContact NZ-OE2 3.14Å; E441-G443 PolarHBondContact O-N 3.41Å
442H84.5Confident84.5Confident29 Ų2927.9 Ų27.913%0.13414%0.14CC..THydrogen-bonded Turntrans-80.916.5171.6-68.7105.4000113.9K438 L439 I440 F444 T501 R505K438-H442 PolarHBondContact O-N 3.21Å; K438-H442 VanDerWaalsContact O-N 3.09Å; K438-H442 PolarHBondContact O-ND1 2.88Å; L439-H442 CarbonylContact O-C 3.59Å; L439-H442 WeakPolarHBondContact O-CA 3.27Å; L439-H442 PolarHBondContact O-N 2.88Å; I440-H442 PolarHBondContact O-N 3.31Å; H442-F444 VanDerWaalsContact C-N 3.32Å; H442-F444 PolarHBondContact O-N 2.8Å; H442-T501 HydrophobicContact CB-CG2 3.72Å; H442-R505 VanDerWaalsContact CA-NH2 3.29Å; H442-R505 PolarHBondContact O-NE 3.24Å; H442-R505 PolarHBondContact O-NH2 3.01Å
443G79.6Confident84.3Confident20 Ų2025.6 Ų25.621%0.20613%0.134CC..THydrogen-bonded Turntrans77.213.4173.500000114.7L439 I440 E441L439-G443 PolarHBondContact O-N 3.33Å; I440-G443 WeakPolarHBondContact O-CA 3.42Å; I440-G443 PolarHBondContact O-N 3.35Å; E441-G443 PolarHBondContact O-N 3.41Å
444F86.2Confident84.1Confident3 Ų326.8 Ų26.81%0.01314%0.14CC..  trans-70.7128.1171.9-166.8-89.6000109.9L439 H442 K446 R448 L449 F452 F547 F551 Y552 L555L439-F444 HydrophobicContact CB-CB 4.11Å; L439-F444 WeakPolarHBondContact O-CB 3.41Å; L439-F444 PolarHBondContact O-N 3.17Å; H442-F444 VanDerWaalsContact C-N 3.32Å; H442-F444 PolarHBondContact O-N 2.8Å; F444-K446 PolarHBondContact O-N 3.44Å; F444-R448 HydrophobicContact CE1-CB 3.76Å; F444-R448 HydrophobicContact CZ-CB 4Å; F444-L449 HydrophobicContact CD1-CD1 4.08Å; F444-L449 HydrophobicContact CD1-CD2 4.08Å; F444-L449 HydrophobicContact CD1-CG 3.61Å; F444-L449 HydrophobicContact CE1-CD2 3.87Å; F444-L449 HydrophobicContact CE1-CG 3.63Å; F444-F452 HydrophobicContact CE1-CE2 4.06Å; F444-F452 AromaticContact CZ-CE2 3.67Å; F444-F452 HydrophobicContact CZ-CE2 3.67Å; F444-F452 HydrophobicContact CZ-CZ 4.13Å; F444-F547 HydrophobicContact CB-CE2 4.15Å; F444-F547 HydrophobicContact CB-CZ 4.06Å; F444-F547 HydrophobicContact CD2-CD1 4.33Å; F444-F547 AromaticContact CD2-CD2 3.73Å; F444-F547 HydrophobicContact CD2-CD2 3.73Å; F444-F547 HydrophobicContact CD2-CE1 4.24Å; F444-F547 AromaticContact CD2-CE2 3.67Å; F444-F547 HydrophobicContact CD2-CE2 3.67Å; F444-F547 HydrophobicContact CD2-CG 4.09Å; F444-F547 AromaticContact CD2-CZ 3.92Å; F444-F547 HydrophobicContact CD2-CZ 3.92Å; F444-F547 HydrophobicContact CE2-CD2 4.16Å; F444-F547 HydrophobicContact CE2-CG 4.35Å; F444-F547 HydrophobicContact CG-CE2 4.25Å; F444-F547 HydrophobicContact CG-CZ 4.46Å; F444-F551 HydrophobicContact CD2-CD1 4.36Å; F444-F551 AromaticContact CD2-CE1 3.69Å; F444-F551 HydrophobicContact CD2-CE1 3.69Å; F444-F551 AromaticContact CE2-CD1 3.99Å; F444-F551 HydrophobicContact CE2-CD1 3.99Å; F444-F551 AromaticContact CE2-CE1 3.64Å; F444-F551 HydrophobicContact CE2-CE1 3.64Å; F444-Y552 HydrophobicContact CE2-CD1 4.5Å; F444-Y552 AromaticContact CE2-CE1 3.67Å; F444-Y552 HydrophobicContact CE2-CE1 3.67Å; F444-Y552 AromaticContact CE2-CZ 3.95Å; F444-Y552 HydrophobicContact CZ-CD1 4.27Å; F444-Y552 AromaticContact CZ-CE1 3.53Å; F444-Y552 HydrophobicContact CZ-CE1 3.53Å; F444-L555 HydrophobicContact CE1-CD2 4.26Å; F444-L555 HydrophobicContact CE2-CD2 3.98Å; F444-L555 HydrophobicContact CZ-CD2 3.75Å
445P81.3Confident84.1Confident10 Ų1031.2 Ų31.27%0.06516%0.164CC..  trans-64.5124.8-177.223.8-33.4000111.4E447 R448 L449 A544P445-E447 PolarHBondContact O-N 3Å; P445-R448 HydrophobicContact CB-CG 4.22Å; P445-R448 HydrophobicContact CG-CB 3.95Å; P445-R448 VanDerWaalsContact CG-CD 3.43Å; P445-R448 HydrophobicContact CG-CG 3.56Å; P445-R448 PolarHBondContact O-N 2.98Å; P445-L449 PolarHBondContact O-N 3.47Å; P445-A544 HydrophobicContact CB-CB 4.24Å
446K76.6Confident83.9Confident57 Ų5731.1 Ų31.125%0.24816%0.164CC..Hα-helixtrans-57.6-31.2177.363.9-176.6-178.7178.70112.5S23 I440 F444 R448 L449 A450S23-K446 VanDerWaalsContact CB-NZ 3.26Å; I440-K446 HydrophobicContact CD1-CB 3.83Å; I440-K446 HydrophobicContact CG1-CB 4.25Å; F444-K446 PolarHBondContact O-N 3.44Å; K446-R448 VanDerWaalsContact C-N 3.3Å; K446-R448 PolarHBondContact O-N 3Å; K446-L449 PolarHBondContact O-N 3.03Å; K446-A450 PolarHBondContact O-N 3.27Å
447E74.5Confident83.7Confident46 Ų4632.3 Ų32.322%0.21517%0.168CC..Hα-helixtrans-60.8-39.6176.2-66.577.3-159.500111.4I173 P445 A450 L451I173-E447 HydrophobicContact CD1-CB 3.69Å; I173-E447 HydrophobicContact CD1-CG 3.92Å; I173-E447 HydrophobicContact CG1-CB 3.99Å; I173-E447 HydrophobicContact CG1-CG 4.1Å; P445-E447 PolarHBondContact O-N 3Å; E447-A450 PolarHBondContact O-N 3.18Å; E447-L451 WeakPolarHBondContact O-CB 3.44Å; E447-L451 PolarHBondContact O-N 2.84Å
448R83.9Confident83.8Confident74 Ų7435 Ų3528%0.27919%0.185SC..Hα-helixtrans-75-33178.7-61.7-172.3-175.7163.1-2111.3F444 P445 K446 L451 F452 S546 Y552F444-R448 HydrophobicContact CE1-CB 3.76Å; F444-R448 HydrophobicContact CZ-CB 4Å; P445-R448 HydrophobicContact CB-CG 4.22Å; P445-R448 HydrophobicContact CG-CB 3.95Å; P445-R448 VanDerWaalsContact CG-CD 3.43Å; P445-R448 HydrophobicContact CG-CG 3.56Å; P445-R448 PolarHBondContact O-N 2.98Å; K446-R448 VanDerWaalsContact C-N 3.3Å; K446-R448 PolarHBondContact O-N 3Å; R448-L451 PolarHBondContact O-N 3.45Å; R448-F452 WeakPolarHBondContact O-CD2 3.26Å; R448-F452 WeakPolarHBondContact O-CG 3.33Å; R448-F452 PolarHBondContact O-N 3.38Å; R448-S546 PolarHBondContact NH2-OG 2.63Å; R448-Y552 HydrophobicContact CB-CE1 4.26Å; R448-Y552 VanDerWaalsContact CD-CE1 3.46Å; R448-Y552 VanDerWaalsContact CD-OH 3.23Å; R448-Y552 WeakPolarHBondContact CD-OH 3.39Å; R448-Y552 HydrophobicContact CG-CE1 4.42Å; R448-Y552 PolarHBondContact NH1-OH 2.89Å
449L84.6Confident83.7Confident20 Ų2036.9 Ų36.911%0.10520%0.195CC..Hα-helixtrans-64.1-44.4170.8-75.8171000111.6L439 I440 F444 P445 K446 L451 F452 G453 L555L439-L449 HydrophobicContact CB-CD1 4.35Å; L439-L449 HydrophobicContact CD1-CD2 3.89Å; I440-L449 HydrophobicContact CD1-CD1 3.76Å; I440-L449 HydrophobicContact CG1-CD1 3.63Å; F444-L449 HydrophobicContact CD1-CD1 4.08Å; F444-L449 HydrophobicContact CD1-CD2 4.08Å; F444-L449 HydrophobicContact CD1-CG 3.61Å; F444-L449 HydrophobicContact CE1-CD2 3.87Å; F444-L449 HydrophobicContact CE1-CG 3.63Å; P445-L449 PolarHBondContact O-N 3.47Å; K446-L449 PolarHBondContact O-N 3.03Å; L449-L451 VanDerWaalsContact C-N 3.34Å; L449-F452 HydrophobicContact CD2-CD2 4.24Å; L449-F452 PolarHBondContact O-N 3.28Å; L449-G453 PolarHBondContact O-N 3.26Å; L449-L555 HydrophobicContact CD2-CD2 4.46Å
450A80.3Confident83.5Confident3 Ų339 Ų393%0.02521%0.205CC..Hα-helixtrans-58.7-48.7173.500000110.1I163 L166 K446 E447 F452 G453 V454I163-A450 HydrophobicContact CG2-CB 4.09Å; I163-A450 WeakPolarHBondContact CG2-O 3.35Å; L166-A450 HydrophobicContact CB-CB 4.37Å; L166-A450 HydrophobicContact CD1-CB 4.36Å; K446-A450 PolarHBondContact O-N 3.27Å; E447-A450 PolarHBondContact O-N 3.18Å; A450-F452 VanDerWaalsContact C-N 3.28Å; A450-F452 PolarHBondContact O-N 3.36Å; A450-G453 WeakPolarHBondContact O-CA 3.42Å; A450-G453 PolarHBondContact O-N 3.2Å; A450-V454 PolarHBondContact O-N 3.25Å; A450-V454 VanDerWaalsContact O-N 3.08Å
451L83.7Confident83.5Confident73 Ų7338.4 Ų38.438%0.38220%0.204SC..Hα-helixtrans-56.6-38.7178.1-172.266.8000113.1E447 R448 L449 G453 V454 L455E447-L451 WeakPolarHBondContact O-CB 3.44Å; E447-L451 PolarHBondContact O-N 2.84Å; R448-L451 PolarHBondContact O-N 3.45Å; L449-L451 VanDerWaalsContact C-N 3.34Å; L451-G453 VanDerWaalsContact C-N 3.3Å; L451-G453 PolarHBondContact O-N 3.33Å; L451-V454 WeakPolarHBondContact O-CB 3.24Å; L451-V454 PolarHBondContact O-N 2.92Å; L451-V454 VanDerWaalsContact O-N 3.14Å; L451-L455 WeakPolarHBondContact O-CG 3.25Å; L451-L455 PolarHBondContact O-N 3Å
452F88.6Confident83.9Confident13 Ų1339.2 Ų39.26%0.05721%0.21CC..Hα-helixtrans-59.7-41.3173.5-66.4-37.6000112.5F444 R448 L449 A450 V454 L455 L456 Y552 L555 L556 L559F444-F452 HydrophobicContact CE1-CE2 4.06Å; F444-F452 AromaticContact CZ-CE2 3.67Å; F444-F452 HydrophobicContact CZ-CE2 3.67Å; F444-F452 HydrophobicContact CZ-CZ 4.13Å; R448-F452 WeakPolarHBondContact O-CD2 3.26Å; R448-F452 WeakPolarHBondContact O-CG 3.33Å; R448-F452 PolarHBondContact O-N 3.38Å; L449-F452 HydrophobicContact CD2-CD2 4.24Å; L449-F452 PolarHBondContact O-N 3.28Å; A450-F452 VanDerWaalsContact C-N 3.28Å; A450-F452 PolarHBondContact O-N 3.36Å; F452-V454 VanDerWaalsContact C-N 3.31Å; F452-V454 PolarHBondContact O-N 2.99Å; F452-L455 HydrophobicContact CD1-CD1 4.49Å; F452-L455 WeakPolarHBondContact O-CB 3.09Å; F452-L455 PolarHBondContact O-N 3.06Å; F452-L456 VanDerWaalsContact O-CG 3.24Å; F452-L456 WeakPolarHBondContact O-CG 3.45Å; F452-L456 PolarHBondContact O-N 3.49Å; F452-Y552 HydrophobicContact CE1-CD1 4.09Å; F452-Y552 AromaticContact CZ-CD1 3.59Å; F452-Y552 HydrophobicContact CZ-CD1 3.59Å; F452-Y552 HydrophobicContact CZ-CE1 4.21Å; F452-L555 HydrophobicContact CD2-CD2 4.32Å; F452-L555 HydrophobicContact CD2-CG 4.31Å; F452-L555 HydrophobicContact CE2-CB 4.29Å; F452-L555 HydrophobicContact CE2-CD2 3.45Å; F452-L555 VanDerWaalsContact CE2-CD2 3.45Å; F452-L555 HydrophobicContact CE2-CG 3.66Å; F452-L555 HydrophobicContact CZ-CB 4.4Å; F452-L555 HydrophobicContact CZ-CD2 4.18Å; F452-L555 HydrophobicContact CZ-CG 4.25Å; F452-L556 HydrophobicContact CB-CD1 4.36Å; F452-L556 HydrophobicContact CD1-CB 4.24Å; F452-L556 HydrophobicContact CD1-CD1 3.8Å; F452-L556 HydrophobicContact CD1-CG 4.43Å; F452-L556 HydrophobicContact CE1-CB 4.01Å; F452-L556 HydrophobicContact CE1-CD1 4.41Å; F452-L556 HydrophobicContact CG-CD1 4.33Å; F452-L559 HydrophobicContact CB-CD1 3.98Å; F452-L559 HydrophobicContact CD2-CD1 3.76Å; F452-L559 HydrophobicContact CG-CD1 4.16Å
453G84Confident84.1Confident15 Ų1539.3 Ų39.316%0.15521%0.211CC..Hα-helixtrans-68.4-29.517600000113.2I163 L449 A450 L451 L456 M457I163-G453 VanDerWaalsContact CD1-C 3.45Å; I163-G453 VanDerWaalsContact CD1-CA 3.44Å; L449-G453 PolarHBondContact O-N 3.26Å; A450-G453 WeakPolarHBondContact O-CA 3.42Å; A450-G453 PolarHBondContact O-N 3.2Å; L451-G453 VanDerWaalsContact C-N 3.3Å; L451-G453 PolarHBondContact O-N 3.33Å; G453-L456 PolarHBondContact O-N 3.27Å; G453-M457 PolarHBondContact O-N 3.03Å
454V83.3Confident84.5Confident51 Ų5138.3 Ų38.331%0.30920%0.201SC..Hα-helixtrans-60.8-47.5168.5-176.70000109.9I163 A450 L451 F452 L456 M457 P458I163-V454 HydrophobicContact CB-CG2 4.29Å; I163-V454 HydrophobicContact CG2-CB 4.31Å; I163-V454 HydrophobicContact CG2-CG2 3.22Å; A450-V454 PolarHBondContact O-N 3.25Å; A450-V454 VanDerWaalsContact O-N 3.08Å; L451-V454 WeakPolarHBondContact O-CB 3.24Å; L451-V454 PolarHBondContact O-N 2.92Å; L451-V454 VanDerWaalsContact O-N 3.14Å; F452-V454 VanDerWaalsContact C-N 3.31Å; F452-V454 PolarHBondContact O-N 2.99Å; V454-L456 VanDerWaalsContact C-N 3.25Å; V454-L456 PolarHBondContact O-N 3.04Å; V454-M457 VanDerWaalsContact O-CB 3.3Å; V454-M457 WeakPolarHBondContact O-CB 3.28Å; V454-M457 PolarHBondContact O-N 2.87Å; V454-P458 WeakPolarHBondContact O-CD 3.43Å
455L86.7Confident84.6Confident94 Ų9441.9 Ų41.949%0.49222%0.22SC..Hα-helixtrans-64.2-29.9179.9-69.2169.6000112.8L451 F452 P458 L556L451-L455 WeakPolarHBondContact O-CG 3.25Å; L451-L455 PolarHBondContact O-N 3Å; F452-L455 HydrophobicContact CD1-CD1 4.49Å; F452-L455 WeakPolarHBondContact O-CB 3.09Å; F452-L455 PolarHBondContact O-N 3.06Å; L455-P458 WeakPolarHBondContact O-CD 3.1Å; L455-L556 HydrophobicContact CD1-CD2 4.32Å
456L88.6Confident84.9Confident9 Ų947.3 Ų47.35%0.04725%0.248CC..Hα-helixtrans-86.3-16178.7-64.9175.1000113.7F452 G453 V454 I459 Q460 L556 L559 F560F452-L456 VanDerWaalsContact O-CG 3.24Å; F452-L456 WeakPolarHBondContact O-CG 3.45Å; F452-L456 PolarHBondContact O-N 3.49Å; G453-L456 PolarHBondContact O-N 3.27Å; V454-L456 VanDerWaalsContact C-N 3.25Å; V454-L456 PolarHBondContact O-N 3.04Å; L456-I459 HydrophobicContact CD2-CD1 4.01Å; L456-I459 WeakPolarHBondContact O-CB 3.39Å; L456-I459 PolarHBondContact O-N 3.49Å; L456-Q460 PolarHBondContact O-N 2.88Å; L456-Q460 VanDerWaalsContact O-N 3.08Å; L456-L556 HydrophobicContact CD2-CD1 4.32Å; L456-L556 HydrophobicContact CG-CD1 4.42Å; L456-L559 HydrophobicContact CD1-CB 3.59Å; L456-F560 HydrophobicContact CD2-CB 3.8Å; L456-F560 HydrophobicContact CD2-CD2 3.89Å; L456-F560 HydrophobicContact CD2-CG 4.3Å
457M83.8Confident85.5Confident47 Ų4745.4 Ų45.423%0.23224%0.24CC..Hα-helixtrans-55-47.6-179.3-174.9-166.5178.600113.7I156 V159 G453 V454 I459 Q460 A461I156-M457 HydrophobicContact CB-CE 4.34Å; I156-M457 HydrophobicContact CG1-CE 4.24Å; I156-M457 HydrophobicContact CG2-CE 4.09Å; V159-M457 HydrophobicContact CB-CE 4.35Å; V159-M457 HydrophobicContact CB-CG 3.99Å; V159-M457 HydrophobicContact CB-SD 4.17Å; V159-M457 HydrophobicContact CG1-CB 3.85Å; V159-M457 HydrophobicContact CG1-CE 4.26Å; V159-M457 HydrophobicContact CG1-CG 3.57Å; V159-M457 HydrophobicContact CG1-SD 3.49Å; V159-M457 WeakPolarHBondContact CG1-SD 3.47Å; V159-M457 HydrophobicContact CG2-CG 4.19Å; G453-M457 PolarHBondContact O-N 3.03Å; V454-M457 VanDerWaalsContact O-CB 3.3Å; V454-M457 WeakPolarHBondContact O-CB 3.28Å; V454-M457 PolarHBondContact O-N 2.87Å; M457-I459 PolarHBondContact O-N 3.44Å; M457-Q460 PolarHBondContact O-N 3.2Å; M457-Q460 VanDerWaalsContact O-N 3.11Å; M457-A461 PolarHBondContact O-N 3.45Å
458P86Confident86Confident67 Ų6743.4 Ų43.444%0.43523%0.231SC..Hα-helixtrans-60-36.6-179.2-23.535.6000111.8V454 L455 A461 I462V454-P458 WeakPolarHBondContact O-CD 3.43Å; L455-P458 WeakPolarHBondContact O-CD 3.1Å; P458-A461 PolarHBondContact O-N 3.5Å; P458-I462 HydrophobicContact CB-CD1 4.25Å; P458-I462 WeakPolarHBondContact O-CB 3.25Å; P458-I462 WeakPolarHBondContact O-CG1 3.34Å; P458-I462 PolarHBondContact O-N 3.41Å
459I86.2Confident85.9Confident42 Ų4250.1 Ų50.122%0.21526%0.257CS..Hα-helixtrans-66.1-47.3176.2-63.7132.9000110L456 M457 A461 I462 L463 F560L456-I459 HydrophobicContact CD2-CD1 4.01Å; L456-I459 WeakPolarHBondContact O-CB 3.39Å; L456-I459 PolarHBondContact O-N 3.49Å; M457-I459 PolarHBondContact O-N 3.44Å; I459-A461 PolarHBondContact O-N 2.65Å; I459-I462 PolarHBondContact O-N 3.4Å; I459-L463 HydrophobicContact CG2-CB 4.29Å; I459-L463 HydrophobicContact CG2-CD2 4.38Å; I459-L463 WeakPolarHBondContact O-CA 3.44Å; I459-L463 WeakPolarHBondContact O-CB 3.44Å; I459-L463 PolarHBondContact O-N 3.35Å; I459-F560 HydrophobicContact CD1-CD2 3.44Å; I459-F560 VanDerWaalsContact CD1-CD2 3.44Å; I459-F560 HydrophobicContact CD1-CE2 3.26Å; I459-F560 HydrophobicContact CD1-CZ 4.47Å; I459-F560 HydrophobicContact CG1-CD2 4.38Å; I459-F560 HydrophobicContact CG1-CE2 3.79Å
460Q85.7Confident85.7Confident44 Ų4459.4 Ų59.421%0.20629%0.29CS..Hα-helixtrans-62.2-29.9179.4-66.2178.9-8.700113.2T155 L456 M457 P464 S563T155-Q460 HydrophobicContact CG2-CB 3.5Å; T155-Q460 HydrophobicContact CG2-CG 4.38Å; T155-Q460 VanDerWaalsContact CG2-OE1 3.24Å; L456-Q460 PolarHBondContact O-N 2.88Å; L456-Q460 VanDerWaalsContact O-N 3.08Å; M457-Q460 PolarHBondContact O-N 3.2Å; M457-Q460 VanDerWaalsContact O-N 3.11Å; Q460-P464 WeakPolarHBondContact O-CD 3.47Å; Q460-P464 WeakPolarHBondContact O-CG 3.4Å; Q460-S563 WeakPolarHBondContact CG-OG 3.41Å; Q460-S563 PolarHBondContact NE2-OG 2.92Å
461A84.8Confident85.9Confident14 Ų1459.6 Ų59.612%0.11629%0.291CS..Hα-helixtrans-85.7-42.117800000113.4V152 I156 M457 P458 I459V152-A461 HydrophobicContact CG1-CB 4.33Å; V152-A461 WeakPolarHBondContact CG2-O 3.4Å; I156-A461 HydrophobicContact CD1-CB 4.34Å; I156-A461 HydrophobicContact CG1-CB 4.14Å; M457-A461 PolarHBondContact O-N 3.45Å; P458-A461 PolarHBondContact O-N 3.5Å; I459-A461 PolarHBondContact O-N 2.65Å
462I88.4Confident85.6Confident92 Ų9258.9 Ų58.947%0.47229%0.288SS..Hα-helixtrans-82.8-40.5-174.8-63.8168000111.1P458 I459 L465 L466P458-I462 HydrophobicContact CB-CD1 4.25Å; P458-I462 WeakPolarHBondContact O-CB 3.25Å; P458-I462 WeakPolarHBondContact O-CG1 3.34Å; P458-I462 PolarHBondContact O-N 3.41Å; I459-I462 PolarHBondContact O-N 3.4Å; I462-L465 WeakPolarHBondContact O-CB 3.45Å; I462-L465 PolarHBondContact O-N 3.43Å; I462-L466 HydrophobicContact CG2-CD1 3.86Å; I462-L466 HydrophobicContact CG2-CG 4.09Å; I462-L466 PolarHBondContact O-N 2.96Å
463L89.4Confident85.3Confident31 Ų3159.5 Ų59.516%0.16230%0.298CS..Hα-helixtrans-56.8-48.3-174.8179.570.7000112.3I459 L465 L466 I467 T564 I568I459-L463 HydrophobicContact CG2-CB 4.29Å; I459-L463 HydrophobicContact CG2-CD2 4.38Å; I459-L463 WeakPolarHBondContact O-CA 3.44Å; I459-L463 WeakPolarHBondContact O-CB 3.44Å; I459-L463 PolarHBondContact O-N 3.35Å; L463-L465 VanDerWaalsContact C-N 3.27Å; L463-L465 PolarHBondContact O-N 3.44Å; L463-L466 PolarHBondContact O-N 3.17Å; L463-I467 HydrophobicContact CD1-CG2 3.74Å; L463-I467 HydrophobicContact CG-CD1 4.26Å; L463-I467 HydrophobicContact CG-CG2 4.22Å; L463-I467 WeakPolarHBondContact O-CG1 3.25Å; L463-I467 PolarHBondContact O-N 2.76Å; L463-T564 HydrophobicContact CD2-CG2 3.6Å; L463-I568 HydrophobicContact CD2-CG1 4.36Å
464P87Confident85.2Confident0 Ų064 Ų640%033%0.325CS..Hα-helixtrans-51.8-45.7174.9-29.938.3000112.7T148 V151 V152 Q460 L466 I467 T468 V571T148-P464 HydrophobicContact CG2-CB 4.22Å; V151-P464 HydrophobicContact CG1-CG 4.08Å; V152-P464 HydrophobicContact CG2-CB 3.56Å; V152-P464 HydrophobicContact CG2-CG 3.88Å; Q460-P464 WeakPolarHBondContact O-CD 3.47Å; Q460-P464 WeakPolarHBondContact O-CG 3.4Å; P464-L466 PolarHBondContact O-N 2.93Å; P464-I467 PolarHBondContact O-N 3.33Å; P464-T468 PolarHBondContact O-N 2.92Å; P464-T468 PolarHBondContact O-OG1 3.22Å; P464-V571 HydrophobicContact CB-CG2 3.69Å; P464-V571 HydrophobicContact CG-CG2 3.98Å
465L88.8Confident85.4Confident78 Ų7869 Ų6941%0.40834%0.338SS..Hα-helixtrans-60.6-32.7-179.3-59.8169.2000112.8W145 T148 V152 I462 L463W145-L465 HydrophobicContact CZ3-CD2 4.29Å; T148-L465 HydrophobicContact CG2-CD2 3.62Å; T148-L465 HydrophobicContact CG2-CG 4.37Å; V152-L465 HydrophobicContact CG2-CD2 4.4Å; V152-L465 HydrophobicContact CG2-CG 4.27Å; I462-L465 WeakPolarHBondContact O-CB 3.45Å; I462-L465 PolarHBondContact O-N 3.43Å; L463-L465 VanDerWaalsContact C-N 3.27Å; L463-L465 PolarHBondContact O-N 3.44Å
466L89Confident85.6Confident123 Ų12364.7 Ų64.764%0.64432%0.315SS*.Hα-helixtrans-79.8-38.9179-62178.3000112.2I462 L463 P464I462-L466 HydrophobicContact CG2-CD1 3.86Å; I462-L466 HydrophobicContact CG2-CG 4.09Å; I462-L466 PolarHBondContact O-N 2.96Å; L463-L466 PolarHBondContact O-N 3.17Å; P464-L466 PolarHBondContact O-N 2.93Å
467I87.8Confident85.8Confident17 Ų1764.3 Ų64.39%0.08731%0.313CS..Hα-helixtrans-89.7-13.5-173.570.4178.7000113.8L463 P464 R469 W470 T471 I568L463-I467 HydrophobicContact CD1-CG2 3.74Å; L463-I467 HydrophobicContact CG-CD1 4.26Å; L463-I467 HydrophobicContact CG-CG2 4.22Å; L463-I467 WeakPolarHBondContact O-CG1 3.25Å; L463-I467 PolarHBondContact O-N 2.76Å; P464-I467 PolarHBondContact O-N 3.33Å; I467-R469 PolarHBondContact O-N 2.9Å; I467-W470 PolarHBondContact O-N 3.33Å; I467-T471 HydrophobicContact CB-CG2 4.07Å; I467-T471 HydrophobicContact CD1-CG2 3.82Å; I467-T471 HydrophobicContact CG1-CG2 3.8Å; I467-T471 PolarHBondContact O-N 3.41Å; I467-T471 PolarHBondContact O-OG1 3.47Å; I467-I568 HydrophobicContact CD1-CB 4.2Å; I467-I568 HydrophobicContact CD1-CG1 3.59Å
468T84.5Confident86.2Confident5 Ų562.9 Ų62.93%0.03131%0.311CS..Hα-helixtrans-46.5-40.9-176.6-57.70000112.8W145 T148 P464 W470 T471 N472W145-T468 HydrophobicContact CE3-CG2 4.3Å; W145-T468 HydrophobicContact CZ3-CG2 4.44Å; T148-T468 WeakPolarHBondContact CG2-OG1 3.18Å; T148-T468 WeakPolarHBondContact OG1-CG2 3.38Å; T148-T468 PolarHBondContact OG1-OG1 3.12Å; P464-T468 PolarHBondContact O-N 2.92Å; P464-T468 PolarHBondContact O-OG1 3.22Å; T468-W470 VanDerWaalsContact C-N 3.34Å; T468-W470 PolarHBondContact O-N 3.49Å; T468-T471 WeakPolarHBondContact CA-OG1 3.4Å; T468-T471 PolarHBondContact O-OG1 3.12Å; T468-N472 VanDerWaalsContact CG2-ND2 3.26Å; T468-N472 WeakPolarHBondContact CG2-ND2 3.25Å; T468-N472 VanDerWaalsContact O-CB 3.29Å; T468-N472 WeakPolarHBondContact O-CB 3.41Å; T468-N472 VanDerWaalsContact O-CG 3.24Å; T468-N472 PolarHBondContact O-N 3.46Å; T468-N472 VanDerWaalsContact O-N 3.11Å; T468-N472 PolarHBondContact O-ND2 3.14Å
469R82.4Confident86.5Confident215 Ų21562.4 Ų62.481%0.81131%0.307SS*.Hα-helixtrans-66.6-33.1-179.4-69.6-173.4173.7-177.5-0.6113.3I467I467-R469 PolarHBondContact O-N 2.9Å
470W81.8Confident86.9Confident215 Ų21560.6 Ų60.681%0.81430%0.297SS*.Hα-helixtrans-87.3-34.7178.4-68.5-33.6000112.5I467 T468I467-W470 PolarHBondContact O-N 3.33Å; T468-W470 VanDerWaalsContact C-N 3.34Å; T468-W470 PolarHBondContact O-N 3.49Å
471T83Confident87.4Confident6 Ų658.5 Ų58.54%0.03729%0.287CS..Hα-helixtrans-75.1-29-178.754.30000113.1I467 T468 G473 V571 V572I467-T471 HydrophobicContact CB-CG2 4.07Å; I467-T471 HydrophobicContact CD1-CG2 3.82Å; I467-T471 HydrophobicContact CG1-CG2 3.8Å; I467-T471 PolarHBondContact O-N 3.41Å; I467-T471 PolarHBondContact O-OG1 3.47Å; T468-T471 WeakPolarHBondContact CA-OG1 3.4Å; T468-T471 PolarHBondContact O-OG1 3.12Å; T471-G473 PolarHBondContact O-N 3.12Å; T471-V571 HydrophobicContact CG2-CG1 4.27Å; T471-V571 WeakPolarHBondContact OG1-CG1 3.49Å; T471-V572 HydrophobicContact CG2-CG2 3.64Å
472N78.7Confident87.8Confident58 Ų5862.7 Ų62.731%0.3131%0.307SS..THydrogen-bonded Turntrans-8222.2177.6-68-14.7000113.3G144 T468 A575G144-N472 WeakPolarHBondContact CA-ND2 3.33Å; G144-N472 PolarHBondContact O-ND2 2.8Å; T468-N472 VanDerWaalsContact CG2-ND2 3.26Å; T468-N472 WeakPolarHBondContact CG2-ND2 3.25Å; T468-N472 VanDerWaalsContact O-CB 3.29Å; T468-N472 WeakPolarHBondContact O-CB 3.41Å; T468-N472 VanDerWaalsContact O-CG 3.24Å; T468-N472 PolarHBondContact O-N 3.46Å; T468-N472 VanDerWaalsContact O-N 3.11Å; T468-N472 PolarHBondContact O-ND2 3.14Å; N472-A575 WeakPolarHBondContact OD1-CB 3.27Å
473G81.2Confident88.1Confident27 Ų2758.9 Ų58.928%0.27829%0.289SS..SBendtrans-66.8179.8176.800000113.8T471 R475T471-G473 PolarHBondContact O-N 3.12Å; G473-R475 VanDerWaalsContact C-N 3.26Å; G473-R475 PolarHBondContact O-N 3.41Å
474P81.9Confident88.5Confident109 Ų10957.4 Ų57.471%0.70828%0.282SS*.SBendtrans-66.2-25.6-176.226.2-34.5000113.5P476 K579P474-P476 WeakPolarHBondContact O-CD 3.29Å; P474-K579 PolarHBondContact O-NZ 2.91Å
475R88.8Confident88.8Confident156 Ų15660.1 Ų60.159%0.58930%0.295SS*.  trans-124.673.2-174.8-68.6-172.9176.7133.50.8112.2G473 D719 N720G473-R475 VanDerWaalsContact C-N 3.26Å; G473-R475 PolarHBondContact O-N 3.41Å; R475-D719 VanDerWaalsContact CA-OD2 3.26Å; R475-D719 WeakPolarHBondContact CA-OD2 3.41Å; R475-D719 WeakPolarHBondContact CB-OD2 3.47Å; R475-D719 HydrophobicContact CG-CB 4.43Å; R475-N720 PolarHBondContact NE-OD1 2.9Å; R475-N720 PolarHBondContact NH2-OD1 3.43Å
476P89.9Confident89.1Confident3 Ų358.9 Ų58.92%0.01929%0.292CS..Hα-helixtrans-66.4-42.2-179.228-35.9000112.4P474 G478 V479 F480 V572 F576 K579 D719P474-P476 WeakPolarHBondContact O-CD 3.29Å; P476-G478 PolarHBondContact O-N 3.21Å; P476-V479 WeakPolarHBondContact O-CB 3.34Å; P476-V479 PolarHBondContact O-N 2.72Å; P476-F480 PolarHBondContact O-N 2.76Å; P476-V572 VanDerWaalsContact C-CG1 3.48Å; P476-V572 HydrophobicContact CB-CG1 3.74Å; P476-V572 WeakPolarHBondContact O-CG1 3.4Å; P476-F576 HydrophobicContact CB-CB 4.28Å; P476-F576 HydrophobicContact CG-CB 3.97Å; P476-F576 HydrophobicContact CG-CD2 3.63Å; P476-F576 HydrophobicContact CG-CG 4.26Å; P476-K579 HydrophobicContact CG-CD 4.43Å; P476-D719 WeakPolarHBondContact CD-OD1 3.2Å
477L92.7Very high89.5Confident1 Ų153.5 Ų53.51%0.00526%0.264CS..Hα-helixtrans-65.5-27.6-177.7-60.4174.8000112.9F417 F480 I481 F576 A715 L718 D719F417-L477 HydrophobicContact CD2-CD1 4.41Å; F417-L477 HydrophobicContact CD2-CD2 4.25Å; F417-L477 HydrophobicContact CE2-CD2 3.76Å; L477-F480 WeakPolarHBondContact O-CB 3.43Å; L477-F480 PolarHBondContact O-N 3.42Å; L477-I481 WeakPolarHBondContact O-CG2 3.44Å; L477-I481 PolarHBondContact O-N 3.32Å; L477-F576 HydrophobicContact CD1-CD1 4.37Å; L477-F576 HydrophobicContact CD1-CD2 4.14Å; L477-F576 HydrophobicContact CD1-CE1 3.92Å; L477-F576 HydrophobicContact CD1-CE2 3.64Å; L477-F576 HydrophobicContact CD1-CG 4.47Å; L477-F576 HydrophobicContact CD1-CZ 3.53Å; L477-F576 HydrophobicContact CD2-CB 4.35Å; L477-F576 HydrophobicContact CD2-CD1 3.89Å; L477-F576 HydrophobicContact CD2-CD2 4.23Å; L477-F576 HydrophobicContact CD2-CE1 4.21Å; L477-F576 HydrophobicContact CD2-CG 3.88Å; L477-F576 HydrophobicContact CG-CD1 4.27Å; L477-F576 HydrophobicContact CG-CD2 3.83Å; L477-F576 HydrophobicContact CG-CE1 4.32Å; L477-F576 HydrophobicContact CG-CE2 3.86Å; L477-F576 HydrophobicContact CG-CG 4.02Å; L477-F576 HydrophobicContact CG-CZ 4.12Å; L477-A715 HydrophobicContact CB-CB 4.26Å; L477-L718 HydrophobicContact CD1-CB 3.51Å; L477-L718 HydrophobicContact CD1-CD1 4.24Å; L477-D719 WeakPolarHBondContact CA-OD2 3.31Å; L477-D719 HydrophobicContact CB-CB 4.45Å; L477-D719 VanDerWaalsContact CB-CG 3.46Å; L477-D719 VanDerWaalsContact CB-OD1 3.24Å; L477-D719 WeakPolarHBondContact CB-OD1 3.28Å; L477-D719 WeakPolarHBondContact CG-OD1 3.27Å; L477-D719 VanDerWaalsContact N-CG 3.33Å; L477-D719 PolarHBondContact N-OD1 2.94Å; L477-D719 PolarHBondContact N-OD2 2.88Å
478G91.8Very high89.8Confident17 Ų1752.7 Ų52.718%0.17526%0.259CS..Hα-helixtrans-60-46.4170.400000111.8P476 I481 I482 D719P476-G478 PolarHBondContact O-N 3.21Å; G478-I481 WeakPolarHBondContact O-CG2 3.47Å; G478-I482 WeakPolarHBondContact O-CB 3.26Å; G478-I482 WeakPolarHBondContact O-CD1 3.36Å; G478-I482 VanDerWaalsContact O-CG1 3.24Å; G478-I482 WeakPolarHBondContact O-CG1 3.39Å; G478-I482 PolarHBondContact O-N 3.42Å; G478-D719 PolarHBondContact N-OD2 3.31Å
479V92.6Very high90.3Very high58 Ų5857.1 Ų57.135%0.35228%0.282SS..Hα-helixtrans-64.6-42.3174.3-177.40000110.5P476 I481 A483 I568 V572P476-V479 WeakPolarHBondContact O-CB 3.34Å; P476-V479 PolarHBondContact O-N 2.72Å; V479-I481 PolarHBondContact O-N 2.86Å; V479-A483 WeakPolarHBondContact O-CB 3.34Å; V479-A483 PolarHBondContact O-N 2.79Å; V479-I568 HydrophobicContact CG1-CG2 4.35Å; V479-V572 HydrophobicContact CB-CG1 4.43Å; V479-V572 HydrophobicContact CB-CG2 4.26Å; V479-V572 HydrophobicContact CG1-CG2 3.93Å
480F94.8Very high91Very high4 Ų447.7 Ų47.72%0.01825%0.248CC..Hα-helixtrans-58.8-48178.6-178.6-95.7000112.1L420 L421 V424 P476 L477 A483 F484 M569 V572 Q573L420-F480 HydrophobicContact CD2-CE1 4.41Å; L421-F480 HydrophobicContact CD2-CE1 4.29Å; L421-F480 HydrophobicContact CD2-CZ 3.97Å; V424-F480 HydrophobicContact CB-CE1 4.42Å; V424-F480 HydrophobicContact CG1-CE1 4.04Å; V424-F480 HydrophobicContact CG1-CZ 3.97Å; V424-F480 HydrophobicContact CG2-CE1 4.14Å; P476-F480 PolarHBondContact O-N 2.76Å; L477-F480 WeakPolarHBondContact O-CB 3.43Å; L477-F480 PolarHBondContact O-N 3.42Å; F480-A483 PolarHBondContact O-N 3.31Å; F480-F484 PolarHBondContact O-N 3.4Å; F480-M569 HydrophobicContact CD1-CE 4.38Å; F480-M569 HydrophobicContact CD2-CB 3.96Å; F480-M569 HydrophobicContact CD2-CE 3.99Å; F480-M569 HydrophobicContact CD2-CG 4.24Å; F480-M569 HydrophobicContact CE1-CE 3.97Å; F480-M569 HydrophobicContact CE2-CB 3.93Å; F480-M569 HydrophobicContact CE2-CE 3.54Å; F480-M569 HydrophobicContact CE2-CG 4.41Å; F480-M569 HydrophobicContact CG-CE 4.39Å; F480-M569 HydrophobicContact CZ-CE 3.53Å; F480-V572 HydrophobicContact CB-CG1 3.76Å; F480-Q573 HydrophobicContact CD2-CB 4.39Å; F480-Q573 HydrophobicContact CE2-CB 4.19Å
481I95.4Very high91.5Very high0 Ų037.5 Ų37.50%021%0.21CC..Hα-helixtrans-75-35.3-175.7-162.151.2000112.1L477 G478 V479 A483 F484 Y707 L711 Y712 A715L477-I481 WeakPolarHBondContact O-CG2 3.44Å; L477-I481 PolarHBondContact O-N 3.32Å; G478-I481 WeakPolarHBondContact O-CG2 3.47Å; V479-I481 PolarHBondContact O-N 2.86Å; I481-A483 VanDerWaalsContact C-N 3.31Å; I481-A483 PolarHBondContact O-N 2.91Å; I481-F484 HydrophobicContact CD1-CB 4.16Å; I481-F484 HydrophobicContact CD1-CD1 4.01Å; I481-F484 HydrophobicContact CD1-CG 4.33Å; I481-F484 WeakPolarHBondContact O-CB 3.28Å; I481-F484 PolarHBondContact O-N 2.95Å; I481-Y707 HydrophobicContact CD1-CD2 4Å; I481-Y707 HydrophobicContact CD1-CE2 3.98Å; I481-Y707 HydrophobicContact CG1-CD2 4.29Å; I481-Y707 HydrophobicContact CG1-CE2 3.84Å; I481-Y707 WeakPolarHBondContact O-CE2 3.17Å; I481-L711 HydrophobicContact CD1-CB 3.53Å; I481-L711 HydrophobicContact CD1-CD1 4.21Å; I481-L711 HydrophobicContact CD1-CG 4.42Å; I481-L711 HydrophobicContact CG1-CB 4.27Å; I481-Y712 HydrophobicContact CG2-CD2 3.96Å; I481-Y712 HydrophobicContact CG2-CE2 4.47Å; I481-A715 HydrophobicContact CB-CB 3.83Å; I481-A715 HydrophobicContact CG1-CB 4.17Å; I481-A715 HydrophobicContact CG2-CB 3.76Å
482I94.1Very high92Very high101 Ų10138.8 Ų38.852%0.51822%0.219SC..Hα-helixtrans-64.3-39.5172.4-69.4169000110.4G478 F484 P486G478-I482 WeakPolarHBondContact O-CB 3.26Å; G478-I482 WeakPolarHBondContact O-CD1 3.36Å; G478-I482 VanDerWaalsContact O-CG1 3.24Å; G478-I482 WeakPolarHBondContact O-CG1 3.39Å; G478-I482 PolarHBondContact O-N 3.42Å; I482-F484 VanDerWaalsContact C-N 3.32Å; I482-F484 PolarHBondContact O-N 3.45Å; I482-P486 WeakPolarHBondContact O-CD 3.48Å
483A94.9Very high92.8Very high13 Ų1340.1 Ų40.111%0.10723%0.226CC..Hα-helixtrans-70.3-25.2176.500000113.4V479 F480 I481 L485 P486 R487 I565 I568 M569V479-A483 WeakPolarHBondContact O-CB 3.34Å; V479-A483 PolarHBondContact O-N 2.79Å; F480-A483 PolarHBondContact O-N 3.31Å; I481-A483 VanDerWaalsContact C-N 3.31Å; I481-A483 PolarHBondContact O-N 2.91Å; A483-L485 PolarHBondContact O-N 3.01Å; A483-P486 VanDerWaalsContact O-CD 3.28Å; A483-P486 WeakPolarHBondContact O-CD 3.34Å; A483-P486 WeakPolarHBondContact O-CG 3.2Å; A483-R487 PolarHBondContact O-N 3.32Å; A483-I565 HydrophobicContact CB-CG2 4.27Å; A483-I565 WeakPolarHBondContact O-CG2 3.4Å; A483-I568 HydrophobicContact CB-CG2 4.47Å; A483-M569 HydrophobicContact CB-CG 3.79Å
484F96.5Very high93.4Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-63-38.6175.8168.3-103.5000112.7V424 C427 L428 F480 I481 I482 R487 L488 M569 Y707 L711V424-F484 HydrophobicContact CB-CD2 4.38Å; V424-F484 HydrophobicContact CB-CE2 4.31Å; V424-F484 HydrophobicContact CG1-CD2 3.61Å; V424-F484 HydrophobicContact CG1-CE2 3.85Å; V424-F484 HydrophobicContact CG1-CG 4.46Å; V424-F484 HydrophobicContact CG2-CD2 4.2Å; V424-F484 HydrophobicContact CG2-CE2 4.29Å; V424-F484 HydrophobicContact CG2-CG 4.44Å; C427-F484 HydrophobicContact CB-CE2 4.07Å; C427-F484 HydrophobicContact CB-CZ 3.84Å; L428-F484 HydrophobicContact CD1-CD2 3.9Å; L428-F484 HydrophobicContact CD1-CE2 3.86Å; L428-F484 HydrophobicContact CD2-CE2 4.22Å; L428-F484 HydrophobicContact CG-CD2 4.42Å; L428-F484 HydrophobicContact CG-CE2 3.91Å; F480-F484 PolarHBondContact O-N 3.4Å; I481-F484 HydrophobicContact CD1-CB 4.16Å; I481-F484 HydrophobicContact CD1-CD1 4.01Å; I481-F484 HydrophobicContact CD1-CG 4.33Å; I481-F484 WeakPolarHBondContact O-CB 3.28Å; I481-F484 PolarHBondContact O-N 2.95Å; I482-F484 VanDerWaalsContact C-N 3.32Å; I482-F484 PolarHBondContact O-N 3.45Å; F484-R487 WeakPolarHBondContact O-CB 3.36Å; F484-R487 PolarHBondContact O-N 2.87Å; F484-L488 HydrophobicContact CE1-CD2 4.24Å; F484-L488 HydrophobicContact CZ-CD1 4.42Å; F484-L488 HydrophobicContact CZ-CD2 4.24Å; F484-L488 PolarHBondContact O-N 3.46Å; F484-M569 HydrophobicContact CB-CE 3.88Å; F484-M569 HydrophobicContact CB-SD 4.5Å; F484-M569 HydrophobicContact CD2-CE 4.27Å; F484-Y707 AromaticContact CD1-CD2 3.67Å; F484-Y707 HydrophobicContact CD1-CD2 3.67Å; F484-Y707 HydrophobicContact CD1-CE2 4.22Å; F484-Y707 HydrophobicContact CE1-CD2 4.01Å; F484-L711 HydrophobicContact CD1-CD1 4.2Å; F484-L711 HydrophobicContact CE1-CD1 3.65Å; F484-L711 HydrophobicContact CZ-CD1 4.04Å
485L94.8Very high94.1Very high56 Ų5636.2 Ų36.229%0.29319%0.192SC..Hα-helixtrans-61-52.7-178.7-175.163.1000113.7A483 R487 L488 L489 Y707A483-L485 PolarHBondContact O-N 3.01Å; L485-R487 VanDerWaalsContact C-N 3.25Å; L485-R487 PolarHBondContact O-N 3.07Å; L485-L488 WeakPolarHBondContact O-CB 3.2Å; L485-L488 PolarHBondContact O-N 3.46Å; L485-L489 WeakPolarHBondContact O-CG 3.48Å; L485-L489 PolarHBondContact O-N 3Å; L485-Y707 HydrophobicContact CB-CE1 4.47Å; L485-Y707 HydrophobicContact CB-CE2 4.12Å; L485-Y707 HydrophobicContact CD1-CD1 4.17Å; L485-Y707 HydrophobicContact CD1-CE1 4.24Å; L485-Y707 HydrophobicContact CD1-CG 4.47Å; L485-Y707 HydrophobicContact CD2-CE1 3.95Å; L485-Y707 HydrophobicContact CG-CE1 4.46Å
486P95.5Very high94.4Very high53 Ų5331.4 Ų31.434%0.34418%0.181SC..Hα-helixtrans-65-29.3174.326.8-33.9000112.1I482 A483 L489 V490 I565I482-P486 WeakPolarHBondContact O-CD 3.48Å; A483-P486 VanDerWaalsContact O-CD 3.28Å; A483-P486 WeakPolarHBondContact O-CD 3.34Å; A483-P486 WeakPolarHBondContact O-CG 3.2Å; P486-L489 PolarHBondContact O-N 2.64Å; P486-V490 VanDerWaalsContact O-CG2 3.26Å; P486-V490 WeakPolarHBondContact O-CG2 3.42Å; P486-V490 PolarHBondContact O-N 3.25Å; P486-I565 HydrophobicContact CB-CD1 3.93Å; P486-I565 HydrophobicContact CG-CD1 4.27Å
487R95.4Very high94.7Very high10 Ų1031.9 Ų31.94%0.03818%0.183CC..Hα-helixtrans-60.8-47.7171.6-168.1171.7175.4155.33110.9L428 E432 A483 F484 L485 L489 V490 T491 Y562 I565 S566 M569L428-R487 HydrophobicContact CD1-CG 4.22Å; L428-R487 HydrophobicContact CD2-CG 4.03Å; E432-R487 IonicContact OE1-CZ 3.14Å; E432-R487 VanDerWaalsContact OE1-CZ 3.32Å; E432-R487 IonicContact OE1-NE 2.61Å; E432-R487 PolarHBondContact OE1-NE 3.06Å; E432-R487 VanDerWaalsContact OE1-NE 3.15Å; E432-R487 IonicContact OE1-NH2 4Å; E432-R487 PolarHBondContact OE1-NH2 2.94Å; E432-R487 IonicContact OE2-NH2 3.54Å; A483-R487 PolarHBondContact O-N 3.32Å; F484-R487 WeakPolarHBondContact O-CB 3.36Å; F484-R487 PolarHBondContact O-N 2.87Å; L485-R487 VanDerWaalsContact C-N 3.25Å; L485-R487 PolarHBondContact O-N 3.07Å; R487-L489 VanDerWaalsContact C-N 3.31Å; R487-L489 PolarHBondContact O-N 3.21Å; R487-V490 PolarHBondContact O-N 3.37Å; R487-T491 WeakPolarHBondContact O-CB 3.18Å; R487-T491 PolarHBondContact O-N 2.85Å; R487-T491 PolarHBondContact O-OG1 2.77Å; R487-Y562 HydrophobicContact CG-CE2 4.49Å; R487-Y562 PolarHBondContact NH2-OH 3.03Å; R487-I565 HydrophobicContact CB-CG2 3.71Å; R487-I565 HydrophobicContact CG-CG2 4.33Å; R487-S566 PolarHBondContact NH1-OG 3.22Å; R487-S566 PolarHBondContact NH2-OG 3.16Å; R487-M569 HydrophobicContact CB-SD 4.2Å; R487-M569 WeakPolarHBondContact CD-SD 3.37Å; R487-M569 HydrophobicContact CG-SD 4.4Å
488L96.2Very high94.7Very high0 Ų031.9 Ų31.90%018%0.183CC..Hα-helixtrans-60.6-40.5178.3-171.465.6000111.8C427 L428 F484 L485 T491 S492 V700 L704C427-L488 HydrophobicContact CB-CD1 4.4Å; L428-L488 HydrophobicContact CD2-CD1 4.24Å; F484-L488 HydrophobicContact CE1-CD2 4.24Å; F484-L488 HydrophobicContact CZ-CD1 4.42Å; F484-L488 HydrophobicContact CZ-CD2 4.24Å; F484-L488 PolarHBondContact O-N 3.46Å; L485-L488 WeakPolarHBondContact O-CB 3.2Å; L485-L488 PolarHBondContact O-N 3.46Å; L488-T491 WeakPolarHBondContact O-CB 3.36Å; L488-T491 PolarHBondContact O-N 3.04Å; L488-S492 PolarHBondContact O-N 3Å; L488-S492 PolarHBondContact O-OG 3.43Å; L488-V700 HydrophobicContact CD1-CG2 4.42Å; L488-L704 HydrophobicContact CD2-CD2 3.82Å; L488-L704 HydrophobicContact CD2-CG 3.94Å
489L94.3Very high94.9Very high97 Ų9736.9 Ų36.951%0.50820%0.198SC..Hα-helixtrans-65-47.9176.4-67.5175.7000112.5L485 P486 R487 T491 S492 L493L485-L489 WeakPolarHBondContact O-CG 3.48Å; L485-L489 PolarHBondContact O-N 3Å; P486-L489 PolarHBondContact O-N 2.64Å; R487-L489 VanDerWaalsContact C-N 3.31Å; R487-L489 PolarHBondContact O-N 3.21Å; L489-T491 VanDerWaalsContact C-N 3.25Å; L489-T491 PolarHBondContact O-N 3.38Å; L489-S492 VanDerWaalsContact O-CB 3.28Å; L489-S492 WeakPolarHBondContact O-CB 3.24Å; L489-S492 PolarHBondContact O-N 3.16Å; L489-S492 VanDerWaalsContact O-N 3.09Å; L489-L493 PolarHBondContact O-N 2.83Å
490V96Very high94.9Very high17 Ų1739.9 Ų39.910%0.10320%0.204CC..Hα-helixtrans-63.8-36.4176.9174.90000111.1P486 R487 S492 L493 K558 V561 I565P486-V490 VanDerWaalsContact O-CG2 3.26Å; P486-V490 WeakPolarHBondContact O-CG2 3.42Å; P486-V490 PolarHBondContact O-N 3.25Å; R487-V490 PolarHBondContact O-N 3.37Å; V490-S492 VanDerWaalsContact C-N 3.31Å; V490-S492 PolarHBondContact O-N 2.92Å; V490-L493 WeakPolarHBondContact O-CB 3.37Å; V490-L493 PolarHBondContact O-N 3.17Å; V490-K558 HydrophobicContact CG1-CG 4.05Å; V490-V561 HydrophobicContact CG2-CB 4.35Å; V490-V561 HydrophobicContact CG2-CG1 3.61Å; V490-I565 HydrophobicContact CG2-CD1 4.27Å
491T94Very high94.8Very high2 Ų239.7 Ų39.71%0.01220%0.203CC..Hα-helixtrans-62.9-37.3173.7-73.70000111.9L428 P431 R487 L488 L489 L493 T494 V700L428-T491 HydrophobicContact CD2-CG2 4.31Å; P431-T491 HydrophobicContact CB-CG2 3.51Å; P431-T491 HydrophobicContact CG-CG2 3.01Å; R487-T491 WeakPolarHBondContact O-CB 3.18Å; R487-T491 PolarHBondContact O-N 2.85Å; R487-T491 PolarHBondContact O-OG1 2.77Å; L488-T491 WeakPolarHBondContact O-CB 3.36Å; L488-T491 PolarHBondContact O-N 3.04Å; L489-T491 VanDerWaalsContact C-N 3.25Å; L489-T491 PolarHBondContact O-N 3.38Å; T491-L493 PolarHBondContact O-N 3.08Å; T491-T494 WeakPolarHBondContact O-CB 3.39Å; T491-T494 PolarHBondContact O-N 3.25Å; T491-T494 PolarHBondContact O-OG1 3.35Å; T491-V700 HydrophobicContact CG2-CG2 4.5Å
492S93.1Very high94.5Very high32 Ų3241.8 Ų41.822%0.22422%0.216CC..Hα-helixtrans-62.1-29.8176.7-540000112.9L488 L489 V490 T494 I495 P496 V700L488-S492 PolarHBondContact O-N 3Å; L488-S492 PolarHBondContact O-OG 3.43Å; L489-S492 VanDerWaalsContact O-CB 3.28Å; L489-S492 WeakPolarHBondContact O-CB 3.24Å; L489-S492 PolarHBondContact O-N 3.16Å; L489-S492 VanDerWaalsContact O-N 3.09Å; V490-S492 VanDerWaalsContact C-N 3.31Å; V490-S492 PolarHBondContact O-N 2.92Å; S492-T494 PolarHBondContact O-N 3Å; S492-T494 VanDerWaalsContact O-N 3.1Å; S492-I495 PolarHBondContact O-N 3.06Å; S492-P496 WeakPolarHBondContact O-CD 3.34Å; S492-V700 WeakPolarHBondContact OG-CG1 3.12Å
493L94.6Very high94.3Very high87 Ų8745 Ų4546%0.45522%0.223SC..THydrogen-bonded Turntrans-62.8-15.2174.9-60.1175.5000113.3L489 V490 T491 I495 P496 I497L489-L493 PolarHBondContact O-N 2.83Å; V490-L493 WeakPolarHBondContact O-CB 3.37Å; V490-L493 PolarHBondContact O-N 3.17Å; T491-L493 PolarHBondContact O-N 3.08Å; L493-I495 VanDerWaalsContact C-N 3.28Å; L493-I495 PolarHBondContact O-N 3.37Å; L493-P496 VanDerWaalsContact O-CD 3.26Å; L493-P496 WeakPolarHBondContact O-CD 3.45Å; L493-P496 WeakPolarHBondContact O-CG 3.28Å; L493-I497 HydrophobicContact CB-CD1 4.09Å; L493-I497 WeakPolarHBondContact O-CB 3.49Å; L493-I497 WeakPolarHBondContact O-CD1 3.4Å; L493-I497 WeakPolarHBondContact O-CG1 3.44Å; L493-I497 PolarHBondContact O-N 2.98Å; L493-I497 VanDerWaalsContact O-N 3.12Å
494T95Very high94.1Very high0 Ų047.5 Ų47.50%023%0.232CC..Hα-helixtrans-58.2-39.3176.1-58.70000112P431 F435 T491 S492 V498 K558 F692P431-T494 HydrophobicContact CB-CG2 4.16Å; F435-T494 HydrophobicContact CB-CG2 3.91Å; F435-T494 HydrophobicContact CD2-CG2 3.26Å; F435-T494 HydrophobicContact CE2-CG2 3.95Å; F435-T494 HydrophobicContact CG-CG2 3.88Å; T491-T494 WeakPolarHBondContact O-CB 3.39Å; T491-T494 PolarHBondContact O-N 3.25Å; T491-T494 PolarHBondContact O-OG1 3.35Å; S492-T494 PolarHBondContact O-N 3Å; S492-T494 VanDerWaalsContact O-N 3.1Å; T494-V498 HydrophobicContact CG2-CG2 4.31Å; T494-V498 WeakPolarHBondContact O-CB 3.4Å; T494-V498 VanDerWaalsContact O-CG2 3.26Å; T494-V498 WeakPolarHBondContact O-CG2 3.46Å; T494-V498 PolarHBondContact O-N 2.76Å; T494-K558 PolarHBondContact OG1-NZ 3.44Å; T494-F692 HydrophobicContact CG2-CE2 4.27Å; T494-F692 HydrophobicContact CG2-CZ 3.73Å
495I95.5Very high93.7Very high54 Ų5451.5 Ų51.528%0.27725%0.247SC..Hα-helixtrans-59.9-60.4179.6-67.2173.1000111.5S492 L493 I497 V498 Y499 Y693 V696S492-I495 PolarHBondContact O-N 3.06Å; L493-I495 VanDerWaalsContact C-N 3.28Å; L493-I495 PolarHBondContact O-N 3.37Å; I495-I497 PolarHBondContact O-N 3.47Å; I495-V498 PolarHBondContact O-N 3.28Å; I495-Y499 VanDerWaalsContact O-CB 3.28Å; I495-Y499 WeakPolarHBondContact O-CB 3.27Å; I495-Y499 PolarHBondContact O-N 3.12Å; I495-Y693 HydrophobicContact CG2-CD1 3.97Å; I495-Y693 HydrophobicContact CG2-CE1 4.38Å; I495-V696 HydrophobicContact CD1-CB 4.43Å; I495-V696 HydrophobicContact CD1-CG1 3.97Å; I495-V696 HydrophobicContact CG1-CB 4.23Å; I495-V696 HydrophobicContact CG1-CG1 3.72Å
496P95.5Very high93.2Very high54 Ų5452.5 Ų52.535%0.35125%0.252SS..Hα-helixtrans-64.9-37.4-179.123.8-33.8000112.5S492 L493 V498 Y499 Y500S492-P496 WeakPolarHBondContact O-CD 3.34Å; L493-P496 VanDerWaalsContact O-CD 3.26Å; L493-P496 WeakPolarHBondContact O-CD 3.45Å; L493-P496 WeakPolarHBondContact O-CG 3.28Å; P496-V498 PolarHBondContact O-N 3.01Å; P496-Y499 PolarHBondContact O-N 3.42Å; P496-Y500 HydrophobicContact CB-CD2 4.32Å; P496-Y500 HydrophobicContact CB-CE2 4.45Å; P496-Y500 WeakPolarHBondContact O-CB 3.42Å; P496-Y500 WeakPolarHBondContact O-CD2 3.48Å; P496-Y500 PolarHBondContact O-N 3.1Å
497I95.3Very high92Very high14 Ų1454.7 Ų54.77%0.07226%0.259CS..Hα-helixtrans-59.5-49.8178.8-70.2171.5000110.8F435 L493 I495 T501 F551 L554 L555 K558F435-I497 HydrophobicContact CE2-CG2 4.04Å; F435-I497 HydrophobicContact CZ-CG2 4.24Å; L493-I497 HydrophobicContact CB-CD1 4.09Å; L493-I497 WeakPolarHBondContact O-CB 3.49Å; L493-I497 WeakPolarHBondContact O-CD1 3.4Å; L493-I497 WeakPolarHBondContact O-CG1 3.44Å; L493-I497 PolarHBondContact O-N 2.98Å; L493-I497 VanDerWaalsContact O-N 3.12Å; I495-I497 PolarHBondContact O-N 3.47Å; I497-T501 PolarHBondContact O-N 3.34Å; I497-T501 VanDerWaalsContact O-N 3.12Å; I497-T501 PolarHBondContact O-OG1 3.32Å; I497-F551 HydrophobicContact CG2-CE2 4.2Å; I497-F551 HydrophobicContact CG2-CZ 4.43Å; I497-L554 HydrophobicContact CD1-CD2 3.58Å; I497-L554 HydrophobicContact CG1-CD2 3.55Å; I497-L555 HydrophobicContact CG2-CD1 4.46Å; I497-K558 HydrophobicContact CD1-CB 4.02Å; I497-K558 HydrophobicContact CD1-CD 4.32Å; I497-K558 HydrophobicContact CD1-CG 3.78Å
498V94.4Very high90.4Very high0 Ų055.8 Ų55.80%027%0.268CS..Hα-helixtrans-67.4-43.8-179.8173.90000110.7F435 K438 L439 T494 I495 P496 Y500 T501 F692 Y693F435-V498 HydrophobicContact CD2-CG2 3.51Å; F435-V498 HydrophobicContact CE2-CG2 3.67Å; K438-V498 HydrophobicContact CB-CG1 4.08Å; K438-V498 HydrophobicContact CG-CG1 3.4Å; L439-V498 HydrophobicContact CD2-CG2 4.28Å; T494-V498 HydrophobicContact CG2-CG2 4.31Å; T494-V498 WeakPolarHBondContact O-CB 3.4Å; T494-V498 VanDerWaalsContact O-CG2 3.26Å; T494-V498 WeakPolarHBondContact O-CG2 3.46Å; T494-V498 PolarHBondContact O-N 2.76Å; I495-V498 PolarHBondContact O-N 3.28Å; P496-V498 PolarHBondContact O-N 3.01Å; V498-Y500 VanDerWaalsContact C-N 3.33Å; V498-Y500 PolarHBondContact O-N 2.96Å; V498-T501 VanDerWaalsContact O-CB 3.32Å; V498-T501 WeakPolarHBondContact O-CB 3.35Å; V498-T501 PolarHBondContact O-N 3.45Å; V498-T501 PolarHBondContact O-OG1 3.48Å; V498-F692 HydrophobicContact CB-CE1 3.82Å; V498-F692 HydrophobicContact CB-CZ 4.15Å; V498-F692 HydrophobicContact CG1-CD1 4.29Å; V498-F692 HydrophobicContact CG1-CE1 3.63Å; V498-F692 HydrophobicContact CG1-CZ 4.21Å; V498-F692 HydrophobicContact CG2-CE1 4.08Å; V498-F692 HydrophobicContact CG2-CZ 3.88Å; V498-Y693 HydrophobicContact CG1-CE1 4.4Å
499Y94Very high88.3Confident122 Ų12260.4 Ų60.448%0.47830%0.298SS..Hα-helixtrans-58.6-42.7179.3-176-94.6000112.8I495 P496 P502 Y693I495-Y499 VanDerWaalsContact O-CB 3.28Å; I495-Y499 WeakPolarHBondContact O-CB 3.27Å; I495-Y499 PolarHBondContact O-N 3.12Å; P496-Y499 PolarHBondContact O-N 3.42Å; Y499-P502 WeakPolarHBondContact O-CD 3.2Å; Y499-Y693 VanDerWaalsContact CA-OH 3.23Å; Y499-Y693 WeakPolarHBondContact CA-OH 3.31Å; Y499-Y693 HydrophobicContact CD2-CE2 4.49Å; Y499-Y693 PolarHBondContact N-OH 3.35Å
500Y94.3Very high86.2Confident122 Ų12261.6 Ų61.648%0.47831%0.305SS..Hα-helixtrans-86.4-4.8-179.5-70.3-66.2000114.5P496 V498 P502 Y503 F504P496-Y500 HydrophobicContact CB-CD2 4.32Å; P496-Y500 HydrophobicContact CB-CE2 4.45Å; P496-Y500 WeakPolarHBondContact O-CB 3.42Å; P496-Y500 WeakPolarHBondContact O-CD2 3.48Å; P496-Y500 PolarHBondContact O-N 3.1Å; V498-Y500 VanDerWaalsContact C-N 3.33Å; V498-Y500 PolarHBondContact O-N 2.96Å; Y500-P502 VanDerWaalsContact C-CD 3.45Å; Y500-Y503 AromaticContact CD1-CD2 3.89Å; Y500-Y503 HydrophobicContact CD1-CD2 3.89Å; Y500-Y503 HydrophobicContact CD1-CE2 4.09Å; Y500-Y503 WeakPolarHBondContact O-CB 3.44Å; Y500-Y503 PolarHBondContact O-N 2.96Å; Y500-F504 VanDerWaalsContact O-CD2 3.27Å; Y500-F504 WeakPolarHBondContact O-CD2 3.38Å
501T92.9Very high83.9Confident0 Ų062.6 Ų62.60%031%0.308CS..G310 helixtrans-50.8-45.1-177.6-67.40000113.4L439 H442 I497 V498 Y503 F504 F547 F551L439-T501 HydrophobicContact CD2-CG2 4.15Å; L439-T501 WeakPolarHBondContact CD2-OG1 3.26Å; H442-T501 HydrophobicContact CB-CG2 3.72Å; I497-T501 PolarHBondContact O-N 3.34Å; I497-T501 VanDerWaalsContact O-N 3.12Å; I497-T501 PolarHBondContact O-OG1 3.32Å; V498-T501 VanDerWaalsContact O-CB 3.32Å; V498-T501 WeakPolarHBondContact O-CB 3.35Å; V498-T501 PolarHBondContact O-N 3.45Å; V498-T501 PolarHBondContact O-OG1 3.48Å; T501-Y503 PolarHBondContact O-N 2.96Å; T501-F504 PolarHBondContact O-N 2.73Å; T501-F547 HydrophobicContact CG2-CE1 3.66Å; T501-F547 HydrophobicContact CG2-CZ 4.23Å; T501-F547 WeakPolarHBondContact O-CE1 2.91Å; T501-F551 HydrophobicContact CG2-CE1 4.43Å; T501-F551 HydrophobicContact CG2-CZ 3.96Å; T501-F551 WeakPolarHBondContact OG1-CZ 3.31Å
502P88.4Confident81.5Confident44 Ų4465.1 Ų65.129%0.28632%0.324SS..G310 helixtrans-59.8-30.2179.9-26.137.1000114.8Y499 Y500 F504 R505Y499-P502 WeakPolarHBondContact O-CD 3.2Å; Y500-P502 VanDerWaalsContact C-CD 3.45Å; P502-F504 VanDerWaalsContact C-N 3.26Å; P502-F504 PolarHBondContact O-N 2.97Å; P502-R505 WeakPolarHBondContact O-CB 3.39Å; P502-R505 WeakPolarHBondContact O-CG 3.22Å; P502-R505 PolarHBondContact O-N 3.42Å
503Y89.6Confident78.8Confident169 Ų16969.7 Ų69.766%0.66334%0.342SS*.G310 helixtrans-73.7-18.6-177.9-63.2-87.6000113.1Y500 T501Y500-Y503 AromaticContact CD1-CD2 3.89Å; Y500-Y503 HydrophobicContact CD1-CD2 3.89Å; Y500-Y503 HydrophobicContact CD1-CE2 4.09Å; Y500-Y503 WeakPolarHBondContact O-CB 3.44Å; Y500-Y503 PolarHBondContact O-N 2.96Å; T501-Y503 PolarHBondContact O-N 2.96Å
504F91.6Very high76.5Confident65 Ų6570.2 Ų70.229%0.28534%0.344SS..G310 helixtrans-92.42.1177.3-67.3-76.6000113.4Y500 T501 P502 F547 T548 F551Y500-F504 VanDerWaalsContact O-CD2 3.27Å; Y500-F504 WeakPolarHBondContact O-CD2 3.38Å; T501-F504 PolarHBondContact O-N 2.73Å; P502-F504 VanDerWaalsContact C-N 3.26Å; P502-F504 PolarHBondContact O-N 2.97Å; F504-F547 HydrophobicContact CB-CD1 4.04Å; F504-F547 WeakPolarHBondContact O-CA 3.41Å; F504-T548 PolarHBondContact O-N 3.45Å; F504-T548 VanDerWaalsContact O-N 3.1Å; F504-F551 HydrophobicContact CB-CB 3.86Å; F504-F551 HydrophobicContact CB-CD2 4.05Å; F504-F551 HydrophobicContact CB-CG 3.9Å; F504-F551 HydrophobicContact CD1-CB 3.99Å; F504-F551 HydrophobicContact CD1-CD2 4.5Å; F504-F551 HydrophobicContact CD2-CB 4.41Å; F504-F551 AromaticContact CD2-CD2 3.46Å; F504-F551 HydrophobicContact CD2-CD2 3.46Å; F504-F551 VanDerWaalsContact CD2-CD2 3.46Å; F504-F551 HydrophobicContact CD2-CE2 4.03Å; F504-F551 HydrophobicContact CD2-CG 4.17Å; F504-F551 AromaticContact CE2-CD2 4Å; F504-F551 HydrophobicContact CE2-CD2 4Å; F504-F551 HydrophobicContact CG-CB 3.84Å; F504-F551 AromaticContact CG-CD2 3.76Å; F504-F551 HydrophobicContact CG-CD2 3.76Å; F504-F551 AromaticContact CG-CG 3.99Å; F504-F551 HydrophobicContact CG-CG 3.99Å
505R87.9Confident74Confident84 Ų8474.4 Ų74.432%0.31736%0.363SS..EExtended strand (participates in β ladder)trans-69.4135.3179.1-67.3177.7-174.11647.9110.8H442 P502 Y545 S546 F547H442-R505 VanDerWaalsContact CA-NH2 3.29Å; H442-R505 PolarHBondContact O-NE 3.24Å; H442-R505 PolarHBondContact O-NH2 3.01Å; P502-R505 WeakPolarHBondContact O-CB 3.39Å; P502-R505 WeakPolarHBondContact O-CG 3.22Å; P502-R505 PolarHBondContact O-N 3.42Å; R505-Y545 HydrophobicContact CB-CD1 4.18Å; R505-Y545 HydrophobicContact CB-CG 4.33Å; R505-Y545 HydrophobicContact CG-CD1 4.4Å; R505-Y545 HydrophobicContact CG-CG 4.13Å; R505-S546 CarbonylContact C-O 3.42Å; R505-F547 HydrophobicContact CG-CD1 4.29Å; R505-F547 HydrophobicContact CG-CE1 3.6Å; R505-F547 HydrophobicContact CG-CZ 3.81Å
506I83Confident71.5Confident77 Ų7778.1 Ų78.140%0.39538%0.378SS..EExtended strand (participates in β ladder)trans-118.5126.9173.9-56.4176.5000107.5P508 S546I506-P508 WeakPolarHBondContact O-CD 3.39Å; I506-S546 PolarHBondContact N-O 3.15Å; I506-S546 PolarHBondContact O-N 2.91Å
507I71.7Confident69.1Low98 Ų9879.8 Ų79.850%0.50338%0.383SS..  trans-81.2118.2172.3-55.9167.4000107.3Q511 T512I507-Q511 HydrophobicContact CG2-CB 4.42Å; I507-T512 HydrophobicContact CG2-CG2 4.39Å
508P61.2Low66.6Low33 Ų3382.7 Ų82.721%0.21440%0.398CS..  trans-63.7143.2177.824.8-32.9000111.4I506 N510 Q511I506-P508 WeakPolarHBondContact O-CD 3.39Å; P508-N510 VanDerWaalsContact C-N 3.32Å; P508-N510 PolarHBondContact O-N 3.46Å; P508-Q511 HydrophobicContact CG-CB 4.28Å; P508-Q511 VanDerWaalsContact CG-CD 3.41Å; P508-Q511 HydrophobicContact CG-CG 3.92Å; P508-Q511 PolarHBondContact O-N 3.44Å
509P52.2Low64.4Low98 Ų9886.9 Ų86.964%0.63642%0.421SS*.Hα-helixtrans-59.7-36.3-171.420.4-31.6000113.6Q511 T512P509-Q511 PolarHBondContact O-N 3.49Å; P509-T512 PolarHBondContact O-N 3.17Å; P509-T512 PolarHBondContact O-OG1 2.94Å
510N49.9Very low61.4Low122 Ų12286.6 Ų86.665%0.65243%0.427SS*.Hα-helixtrans-68-16.7179.9-66.56.7000113.8P508P508-N510 VanDerWaalsContact C-N 3.32Å; P508-N510 PolarHBondContact O-N 3.46Å
511Q47.8Very low58.9Low37 Ų3788.1 Ų88.117%0.17343%0.432CS..Hα-helixtrans-83.7-25.6177.1-79.1176.9-10.600113.1I507 P508 P509 Q513 I514 Q515 M543I507-Q511 HydrophobicContact CG2-CB 4.42Å; P508-Q511 HydrophobicContact CG-CB 4.28Å; P508-Q511 VanDerWaalsContact CG-CD 3.41Å; P508-Q511 HydrophobicContact CG-CG 3.92Å; P508-Q511 PolarHBondContact O-N 3.44Å; P509-Q511 PolarHBondContact O-N 3.49Å; Q511-Q513 VanDerWaalsContact C-N 3.33Å; Q511-Q513 PolarHBondContact O-N 2.95Å; Q511-I514 PolarHBondContact O-N 3.19Å; Q511-Q515 WeakPolarHBondContact O-CB 3.21Å; Q511-Q515 PolarHBondContact O-N 2.94Å; Q511-M543 HydrophobicContact CB-CE 4.12Å; Q511-M543 VanDerWaalsContact CD-CE 3.42Å; Q511-M543 HydrophobicContact CG-CE 3.66Å; Q511-M543 HydrophobicContact CG-SD 4.25Å; Q511-M543 PolarHBondContact NE2-SD 3Å
512T43.4Very low56.7Low56 Ų5690.6 Ų90.634%0.34445%0.449SS..Hα-helixtrans-59.8-48.117460.90000109.8I507 P509 I514 Q515 F516I507-T512 HydrophobicContact CG2-CG2 4.39Å; P509-T512 PolarHBondContact O-N 3.17Å; P509-T512 PolarHBondContact O-OG1 2.94Å; T512-I514 PolarHBondContact O-N 3.08Å; T512-Q515 PolarHBondContact O-N 3.45Å; T512-F516 WeakPolarHBondContact O-CB 3.42Å; T512-F516 WeakPolarHBondContact O-CD2 3.24Å; T512-F516 WeakPolarHBondContact O-CG 3.23Å; T512-F516 PolarHBondContact O-N 3.12Å
513Q36.4Very low54.6Low128 Ų12893 Ų9360%0.59846%0.46SS*.Hα-helixtrans-61.2-43178.3-70.9-179.1-16.500112.8Q511 F516 I517Q511-Q513 VanDerWaalsContact C-N 3.33Å; Q511-Q513 PolarHBondContact O-N 2.95Å; Q513-F516 PolarHBondContact O-N 3.06Å; Q513-I517 VanDerWaalsContact O-CB 3.31Å; Q513-I517 WeakPolarHBondContact O-CB 3.14Å; Q513-I517 VanDerWaalsContact O-CD1 3.31Å; Q513-I517 WeakPolarHBondContact O-CD1 3.08Å; Q513-I517 WeakPolarHBondContact O-CG1 3.3Å; Q513-I517 PolarHBondContact O-N 3.13Å
514I45.7Very low52.2Low98 Ų9890.8 Ų90.850%0.50346%0.459SS..Hα-helixtrans-71.1-37.8179.6-61.8171.4000111.6Q511 T512 N518Q511-I514 PolarHBondContact O-N 3.19Å; T512-I514 PolarHBondContact O-N 3.08Å; I514-N518 VanDerWaalsContact O-CB 3.26Å; I514-N518 WeakPolarHBondContact O-CB 3.31Å; I514-N518 PolarHBondContact O-N 3.04Å
515Q42.6Very low49.7Very low87 Ų8792 Ų9241%0.40747%0.468SS..Hα-helixtrans-64.7-42.9172.6-84.6-177.6-42.400111.7Q511 T512 N518 L519Q511-Q515 WeakPolarHBondContact O-CB 3.21Å; Q511-Q515 PolarHBondContact O-N 2.94Å; T512-Q515 PolarHBondContact O-N 3.45Å; Q515-N518 PolarHBondContact O-N 2.69Å; Q515-L519 VanDerWaalsContact O-CB 3.31Å; Q515-L519 WeakPolarHBondContact O-CB 3.4Å; Q515-L519 WeakPolarHBondContact O-CD1 3.47Å; Q515-L519 WeakPolarHBondContact O-CG 3.3Å; Q515-L519 PolarHBondContact O-N 3.39Å
516F44.3Very low47.5Very low132 Ų13294.6 Ų94.658%0.57949%0.489SS*.Hα-helixtrans-66.7-40.4175.9-72.8-61000112.4T512 Q513 N520T512-F516 WeakPolarHBondContact O-CB 3.42Å; T512-F516 WeakPolarHBondContact O-CD2 3.24Å; T512-F516 WeakPolarHBondContact O-CG 3.23Å; T512-F516 PolarHBondContact O-N 3.12Å; Q513-F516 PolarHBondContact O-N 3.06Å; F516-N520 WeakPolarHBondContact O-CB 3.38Å; F516-N520 PolarHBondContact O-N 3.25Å
517I43.5Very low45.7Very low89 Ų8999.8 Ų99.846%0.45651%0.509SS..Hα-helixtrans-65.8-40.4176-69162.1000110.9Q513 R521Q513-I517 VanDerWaalsContact O-CB 3.31Å; Q513-I517 WeakPolarHBondContact O-CB 3.14Å; Q513-I517 VanDerWaalsContact O-CD1 3.31Å; Q513-I517 WeakPolarHBondContact O-CD1 3.08Å; Q513-I517 WeakPolarHBondContact O-CG1 3.3Å; Q513-I517 PolarHBondContact O-N 3.13Å; I517-R521 WeakPolarHBondContact O-CB 3.34Å; I517-R521 PolarHBondContact O-N 2.69Å
518N44.3Very low44.3Very low75 Ų7599.3 Ų99.340%0.40151%0.511SS..Hα-helixtrans-74.7-35.8178.8-77.6-18.2000112.9I514 Q515 R521 S522I514-N518 VanDerWaalsContact O-CB 3.26Å; I514-N518 WeakPolarHBondContact O-CB 3.31Å; I514-N518 PolarHBondContact O-N 3.04Å; Q515-N518 PolarHBondContact O-N 2.69Å; N518-R521 PolarHBondContact O-N 3.18Å; N518-S522 WeakPolarHBondContact O-CB 3.42Å; N518-S522 PolarHBondContact O-N 3.46Å; N518-S522 PolarHBondContact O-OG 3.22Å
519L46.9Very low42.9Very low89 Ų89104.2 Ų104.247%0.46654%0.54SS..Hα-helixtrans-59-50.9169.7-76.3164.1000109.6Q515 R521 S522 D523Q515-L519 VanDerWaalsContact O-CB 3.31Å; Q515-L519 WeakPolarHBondContact O-CB 3.4Å; Q515-L519 WeakPolarHBondContact O-CD1 3.47Å; Q515-L519 WeakPolarHBondContact O-CG 3.3Å; Q515-L519 PolarHBondContact O-N 3.39Å; L519-R521 VanDerWaalsContact C-N 3.3Å; L519-R521 PolarHBondContact O-N 3.25Å; L519-S522 PolarHBondContact O-N 2.84Å; L519-S522 PolarHBondContact O-OG 3.3Å; L519-D523 VanDerWaalsContact O-CB 3.27Å; L519-D523 WeakPolarHBondContact O-CB 3.47Å; L519-D523 PolarHBondContact O-N 2.71Å; L519-D523 VanDerWaalsContact O-OD2 3.09Å
520N31.5Very low42.1Very low116 Ų116106.7 Ų106.762%0.6255%0.548SS*.Hα-helixtrans-61.9-33.5177-75.5-4.1000113.3F516 L524F516-N520 WeakPolarHBondContact O-CB 3.38Å; F516-N520 PolarHBondContact O-N 3.25Å; N520-L524 WeakPolarHBondContact O-CB 3.32Å; N520-L524 PolarHBondContact O-N 3Å
521R41.9Very low41.4Very low153 Ų153108.2 Ų108.258%0.57756%0.555SS**Hα-helixtrans-78.8-36.3177.7-171.4174.8-70.5170.1-1.7112.9I517 N518 L519 N525I517-R521 WeakPolarHBondContact O-CB 3.34Å; I517-R521 PolarHBondContact O-N 2.69Å; N518-R521 PolarHBondContact O-N 3.18Å; L519-R521 VanDerWaalsContact C-N 3.3Å; L519-R521 PolarHBondContact O-N 3.25Å; R521-N525 WeakPolarHBondContact O-CB 3.35Å; R521-N525 PolarHBondContact O-N 2.78Å
522S46.8Very low40.6Very low52 Ų52112.6 Ų112.636%0.36459%0.585SS.*Hα-helixtrans-70.6-36.517456.70000111.8N518 L519 L524 N526N518-S522 WeakPolarHBondContact O-CB 3.42Å; N518-S522 PolarHBondContact O-N 3.46Å; N518-S522 PolarHBondContact O-OG 3.22Å; L519-S522 PolarHBondContact O-N 2.84Å; L519-S522 PolarHBondContact O-OG 3.3Å; S522-L524 VanDerWaalsContact C-N 3.31Å; S522-N526 VanDerWaalsContact O-CB 3.31Å; S522-N526 WeakPolarHBondContact O-CB 3.47Å; S522-N526 VanDerWaalsContact O-CG 3.23Å; S522-N526 PolarHBondContact O-N 3.16Å; S522-N526 PolarHBondContact O-ND2 3.32Å
523D43.4Very low40Very low94 Ų94117.9 Ų117.950%0.50361%0.606SS.*Hα-helixtrans-68.2-34.2176.6-66-21.2000111L519L519-D523 VanDerWaalsContact O-CB 3.27Å; L519-D523 WeakPolarHBondContact O-CB 3.47Å; L519-D523 PolarHBondContact O-N 2.71Å; L519-D523 VanDerWaalsContact O-OD2 3.09Å
524L40.2Very low40.1Very low123 Ų123119.4 Ų119.464%0.64462%0.618SS**Hα-helixtrans-75.5-40.1176.5-152.675.6000112.9N520 S522 F527 T528N520-L524 WeakPolarHBondContact O-CB 3.32Å; N520-L524 PolarHBondContact O-N 3Å; S522-L524 VanDerWaalsContact C-N 3.31Å; L524-F527 PolarHBondContact O-N 2.79Å; L524-T528 PolarHBondContact O-OG1 3.36Å
525N38.5Very low39.5Very low90 Ų90122.1 Ų122.148%0.48163%0.628SS.*Hα-helixtrans-82.5-24.1-177.2-71.51.1000113.6R521 F527 T528R521-N525 WeakPolarHBondContact O-CB 3.35Å; R521-N525 PolarHBondContact O-N 2.78Å; N525-F527 PolarHBondContact O-N 2.61Å; N525-T528 CarbonylContact O-C 3.53Å; N525-T528 PolarHBondContact O-N 3.05Å
526N43.1Very low39Very low139 Ų139123 Ų12374%0.74364%0.639SS**THydrogen-bonded Turntrans-67.7-19.2170.9-77.1-16.8000112.5S522S522-N526 VanDerWaalsContact O-CB 3.31Å; S522-N526 WeakPolarHBondContact O-CB 3.47Å; S522-N526 VanDerWaalsContact O-CG 3.23Å; S522-N526 PolarHBondContact O-N 3.16Å; S522-N526 PolarHBondContact O-ND2 3.32Å
527F43.7Very low38.5Very low186 Ų186120.8 Ų120.882%0.81665%0.645SS**THydrogen-bonded Turntrans-78.9-22.1173.7-110.9-85.8000113.4L524 N525L524-F527 PolarHBondContact O-N 2.79Å; N525-F527 PolarHBondContact O-N 2.61Å
528T42.8Very low38.1Very low89 Ų89121.2 Ų121.255%0.54665%0.649SS.*SBendtrans-144.4111.1-173.133.30000111.2L524 N525L524-T528 PolarHBondContact O-OG1 3.36Å; N525-T528 CarbonylContact O-C 3.53Å; N525-T528 PolarHBondContact O-N 3.05Å
529T33Very low37.6Very low136 Ų136122.2 Ų122.283%0.83466%0.658SS**  trans99.197.4164.172.20000117.7
530N33.8Very low37.2Very low150 Ų150121.6 Ų121.680%0.80266%0.657SS**  trans-33.7142.8143.6-67.5-34.5000113.8
531L35.5Very low37.7Very low154 Ų154123.2 Ų123.281%0.80666%0.659SS**SBendtrans69.2123.3167.5-82.985.8000118.1
532T32.1Very low37.9Very low128 Ų128120.9 Ų120.979%0.78566%0.658SS**  trans85.288.9165.671.80000117
533Q30.1Very low38.1Very low168 Ų168120.7 Ų120.779%0.78565%0.652SS**  trans-174.888131-99.6166.326.500111H535Q533-H535 PolarHBondContact O-N 2.85Å
534N38.2Very low38.9Very low160 Ų160118.8 Ų118.886%0.85665%0.649SS**  trans-70.4102.6150.6-78.6-27.5000106.6
535H33.6Very low40.3Very low155 Ų155116.8 Ų116.872%0.71863%0.634SS**SBendtrans-174.8-11.7150-101.7-57.1000116.6Q533Q533-H535 PolarHBondContact O-N 2.85Å
536T31.4Very low42.4Very low104 Ų104114.2 Ų114.264%0.63862%0.623SS**SBendtrans-91.1-23.1-173.148.80000115.5N538 T539T536-N538 VanDerWaalsContact C-N 3.26Å; T536-N538 PolarHBondContact O-N 3.26Å; T536-T539 PolarHBondContact O-OG1 3.16Å
537A33.9Very low44.6Very low86 Ų86107.9 Ų107.971%0.71159%0.589SS**THydrogen-bonded Turntrans-68.3-20.1-179.200000114.5
538N35.2Very low46.9Very low98 Ų98101.4 Ų101.452%0.52456%0.564SS.*THydrogen-bonded Turntrans-82.1-13-173.9-66.8-7.1000114T536T536-N538 VanDerWaalsContact C-N 3.26Å; T536-N538 PolarHBondContact O-N 3.26Å
539T34Very low49.2Very low97 Ų97107.1 Ų107.160%0.59558%0.576SS**SBendtrans-94.8-14.6-173.156.10000114.4T536 K541T536-T539 PolarHBondContact O-OG1 3.16Å; T539-K541 PolarHBondContact O-N 3.23Å
540V39.1Very low52Low75 Ų75106.7 Ų106.746%0.45557%0.568SS.*SBendtrans-81-16.5-171.1-177.50000113.3M543V540-M543 WeakPolarHBondContact O-CG 3.42Å
541K41.1Very low54.9Low151 Ų15199.6 Ų99.666%0.65753%0.53SS*.SBendtrans-100.1-13.5-177.6-97.9-174.9179.9178.10115.9T539 M543 E679T539-K541 PolarHBondContact O-N 3.23Å; K541-M543 PolarHBondContact O-N 2.96Å; K541-E679 IonicContact NZ-OE1 3.73Å; K541-E679 PolarHBondContact NZ-OE1 2.93Å
542D46.4Very low57.7Low104 Ų10493.3 Ų93.356%0.55650%0.496SS*.  trans-81.816.6171.8-66.1-22.2000112.2A544D542-A544 PolarHBondContact O-N 3.04Å
543M50.8Low60.6Low48 Ų4892.6 Ų92.624%0.23649%0.486CS..  trans-68.5100.1179.5-63.6-82.4-111.500109.9Q511 V540 K541 Y545Q511-M543 HydrophobicContact CB-CE 4.12Å; Q511-M543 VanDerWaalsContact CD-CE 3.42Å; Q511-M543 HydrophobicContact CG-CE 3.66Å; Q511-M543 HydrophobicContact CG-SD 4.25Å; Q511-M543 PolarHBondContact NE2-SD 3Å; V540-M543 WeakPolarHBondContact O-CG 3.42Å; K541-M543 PolarHBondContact O-N 2.96Å; M543-Y545 PolarHBondContact O-N 3.42Å; M543-Y545 VanDerWaalsContact O-N 3.11Å
544A60Low63.7Low54 Ų5488.6 Ų88.645%0.44647%0.469SS..  trans-60112.8167.700000109.5P445 D542P445-A544 HydrophobicContact CB-CB 4.24Å; D542-A544 PolarHBondContact O-N 3.04Å
545Y70.7Confident66.4Low80 Ų8081 Ų8131%0.31443%0.429SS..  trans-69.8146.1173.8-66.8-85.8000109.6R505 M543 F547R505-Y545 HydrophobicContact CB-CD1 4.18Å; R505-Y545 HydrophobicContact CB-CG 4.33Å; R505-Y545 HydrophobicContact CG-CD1 4.4Å; R505-Y545 HydrophobicContact CG-CG 4.13Å; M543-Y545 PolarHBondContact O-N 3.42Å; M543-Y545 VanDerWaalsContact O-N 3.11Å; Y545-F547 WeakPolarHBondContact O-CE2 3.37Å
546S82Confident69.3Low36 Ų3676.1 Ų76.125%0.25241%0.408SS..EExtended strand (participates in β ladder)trans-83159.4159.5-75.50000109.6R448 R505 I506R448-S546 PolarHBondContact NH2-OG 2.63Å; R505-S546 CarbonylContact C-O 3.42Å; I506-S546 PolarHBondContact N-O 3.15Å; I506-S546 PolarHBondContact O-N 2.91Å
547F89.4Confident72.3Confident7 Ų774.4 Ų74.43%0.03140%0.4CS..EExtended strand (participates in β ladder)trans-128.8161179.5-67-106.5000109.8F444 T501 F504 R505 Y545 F551 Y552F444-F547 HydrophobicContact CB-CE2 4.15Å; F444-F547 HydrophobicContact CB-CZ 4.06Å; F444-F547 HydrophobicContact CD2-CD1 4.33Å; F444-F547 AromaticContact CD2-CD2 3.73Å; F444-F547 HydrophobicContact CD2-CD2 3.73Å; F444-F547 HydrophobicContact CD2-CE1 4.24Å; F444-F547 AromaticContact CD2-CE2 3.67Å; F444-F547 HydrophobicContact CD2-CE2 3.67Å; F444-F547 HydrophobicContact CD2-CG 4.09Å; F444-F547 AromaticContact CD2-CZ 3.92Å; F444-F547 HydrophobicContact CD2-CZ 3.92Å; F444-F547 HydrophobicContact CE2-CD2 4.16Å; F444-F547 HydrophobicContact CE2-CG 4.35Å; F444-F547 HydrophobicContact CG-CE2 4.25Å; F444-F547 HydrophobicContact CG-CZ 4.46Å; T501-F547 HydrophobicContact CG2-CE1 3.66Å; T501-F547 HydrophobicContact CG2-CZ 4.23Å; T501-F547 WeakPolarHBondContact O-CE1 2.91Å; F504-F547 HydrophobicContact CB-CD1 4.04Å; F504-F547 WeakPolarHBondContact O-CA 3.41Å; R505-F547 HydrophobicContact CG-CD1 4.29Å; R505-F547 HydrophobicContact CG-CE1 3.6Å; R505-F547 HydrophobicContact CG-CZ 3.81Å; Y545-F547 WeakPolarHBondContact O-CE2 3.37Å; F547-F551 HydrophobicContact CB-CD1 3.93Å; F547-F551 AromaticContact CD1-CD1 3.75Å; F547-F551 HydrophobicContact CD1-CD1 3.75Å; F547-F551 AromaticContact CD1-CE1 3.89Å; F547-F551 HydrophobicContact CD1-CE1 3.89Å; F547-F551 HydrophobicContact CD1-CG 4.48Å; F547-F551 HydrophobicContact CE1-CE1 4.31Å; F547-F551 HydrophobicContact CG-CD1 4.03Å; F547-F551 HydrophobicContact CG-CE1 4.39Å; F547-Y552 HydrophobicContact CB-CD2 4.46Å; F547-Y552 HydrophobicContact CB-CE2 3.65Å; F547-Y552 WeakPolarHBondContact CD2-OH 3.5Å; F547-Y552 VanDerWaalsContact O-CE2 3.29Å; F547-Y552 WeakPolarHBondContact O-CE2 3.38Å
548T91.8Very high75.2Confident50 Ų5071.1 Ų71.131%0.30737%0.37SS..  trans-63.6141.8175.6-500000111.4F504 L550 F551 Y552F504-T548 PolarHBondContact O-N 3.45Å; F504-T548 VanDerWaalsContact O-N 3.1Å; T548-L550 HydrophobicContact CG2-CB 4.24Å; T548-L550 HydrophobicContact CG2-CG 4.43Å; T548-L550 PolarHBondContact O-N 3.34Å; T548-F551 WeakPolarHBondContact O-CA 3.43Å; T548-F551 VanDerWaalsContact O-CB 3.3Å; T548-F551 WeakPolarHBondContact O-CB 3.42Å; T548-F551 PolarHBondContact O-N 2.66Å; T548-Y552 WeakPolarHBondContact O-CD2 3.34Å; T548-Y552 PolarHBondContact O-N 3.06Å
549W90.7Very high78Confident209 Ų20967.8 Ų67.879%0.79235%0.352SS*.Hα-helixtrans-54.1-34.6176.5-73.8111.5000114F551 Y552 I553W549-F551 VanDerWaalsContact C-N 3.27Å; W549-F551 PolarHBondContact O-N 3.44Å; W549-Y552 HydrophobicContact CE3-CD2 4.26Å; W549-Y552 HydrophobicContact CE3-CG 4.49Å; W549-Y552 WeakPolarHBondContact O-CB 3.5Å; W549-Y552 PolarHBondContact O-N 2.83Å; W549-Y552 VanDerWaalsContact O-N 3.14Å; W549-I553 WeakPolarHBondContact O-CG1 3.48Å; W549-I553 PolarHBondContact O-N 2.8Å
550L92.8Very high80.9Confident126 Ų12667.6 Ų67.666%0.6634%0.343SS*.Hα-helixtrans-58.1-39.3173.5-67.7175.7000112.3T548 I553 L554T548-L550 HydrophobicContact CG2-CB 4.24Å; T548-L550 HydrophobicContact CG2-CG 4.43Å; T548-L550 PolarHBondContact O-N 3.34Å; L550-I553 PolarHBondContact O-N 3.4Å; L550-L554 VanDerWaalsContact O-CB 3.32Å; L550-L554 WeakPolarHBondContact O-CB 3.25Å; L550-L554 PolarHBondContact O-N 2.88Å
551F94.7Very high83.6Confident2 Ų266.8 Ų66.81%0.00934%0.338CS..Hα-helixtrans-67.1-39.6176.6-174.9-106.4000111.4L439 F444 I497 T501 F504 F547 T548 W549 L554 L555L439-F551 HydrophobicContact CD2-CZ 4.28Å; F444-F551 HydrophobicContact CD2-CD1 4.36Å; F444-F551 AromaticContact CD2-CE1 3.69Å; F444-F551 HydrophobicContact CD2-CE1 3.69Å; F444-F551 AromaticContact CE2-CD1 3.99Å; F444-F551 HydrophobicContact CE2-CD1 3.99Å; F444-F551 AromaticContact CE2-CE1 3.64Å; F444-F551 HydrophobicContact CE2-CE1 3.64Å; I497-F551 HydrophobicContact CG2-CE2 4.2Å; I497-F551 HydrophobicContact CG2-CZ 4.43Å; T501-F551 HydrophobicContact CG2-CE1 4.43Å; T501-F551 HydrophobicContact CG2-CZ 3.96Å; T501-F551 WeakPolarHBondContact OG1-CZ 3.31Å; F504-F551 HydrophobicContact CB-CB 3.86Å; F504-F551 HydrophobicContact CB-CD2 4.05Å; F504-F551 HydrophobicContact CB-CG 3.9Å; F504-F551 HydrophobicContact CD1-CB 3.99Å; F504-F551 HydrophobicContact CD1-CD2 4.5Å; F504-F551 HydrophobicContact CD2-CB 4.41Å; F504-F551 AromaticContact CD2-CD2 3.46Å; F504-F551 HydrophobicContact CD2-CD2 3.46Å; F504-F551 VanDerWaalsContact CD2-CD2 3.46Å; F504-F551 HydrophobicContact CD2-CE2 4.03Å; F504-F551 HydrophobicContact CD2-CG 4.17Å; F504-F551 AromaticContact CE2-CD2 4Å; F504-F551 HydrophobicContact CE2-CD2 4Å; F504-F551 HydrophobicContact CG-CB 3.84Å; F504-F551 AromaticContact CG-CD2 3.76Å; F504-F551 HydrophobicContact CG-CD2 3.76Å; F504-F551 AromaticContact CG-CG 3.99Å; F504-F551 HydrophobicContact CG-CG 3.99Å; F547-F551 HydrophobicContact CB-CD1 3.93Å; F547-F551 AromaticContact CD1-CD1 3.75Å; F547-F551 HydrophobicContact CD1-CD1 3.75Å; F547-F551 AromaticContact CD1-CE1 3.89Å; F547-F551 HydrophobicContact CD1-CE1 3.89Å; F547-F551 HydrophobicContact CD1-CG 4.48Å; F547-F551 HydrophobicContact CE1-CE1 4.31Å; F547-F551 HydrophobicContact CG-CD1 4.03Å; F547-F551 HydrophobicContact CG-CE1 4.39Å; T548-F551 WeakPolarHBondContact O-CA 3.43Å; T548-F551 VanDerWaalsContact O-CB 3.3Å; T548-F551 WeakPolarHBondContact O-CB 3.42Å; T548-F551 PolarHBondContact O-N 2.66Å; W549-F551 VanDerWaalsContact C-N 3.27Å; W549-F551 PolarHBondContact O-N 3.44Å; F551-L554 PolarHBondContact O-N 3.03Å; F551-L555 HydrophobicContact CE1-CD2 4.09Å; F551-L555 HydrophobicContact CZ-CD2 4.43Å; F551-L555 VanDerWaalsContact O-CB 3.23Å; F551-L555 WeakPolarHBondContact O-CB 3.09Å; F551-L555 PolarHBondContact O-N 3.04Å
552Y93.2Very high86.1Confident22 Ų2261.7 Ų61.79%0.08632%0.315CS..Hα-helixtrans-59.4-47.4173.3-74.9-75000112.2F444 R448 F452 F547 T548 W549 L555 L556F444-Y552 HydrophobicContact CE2-CD1 4.5Å; F444-Y552 AromaticContact CE2-CE1 3.67Å; F444-Y552 HydrophobicContact CE2-CE1 3.67Å; F444-Y552 AromaticContact CE2-CZ 3.95Å; F444-Y552 HydrophobicContact CZ-CD1 4.27Å; F444-Y552 AromaticContact CZ-CE1 3.53Å; F444-Y552 HydrophobicContact CZ-CE1 3.53Å; R448-Y552 HydrophobicContact CB-CE1 4.26Å; R448-Y552 VanDerWaalsContact CD-CE1 3.46Å; R448-Y552 VanDerWaalsContact CD-OH 3.23Å; R448-Y552 WeakPolarHBondContact CD-OH 3.39Å; R448-Y552 HydrophobicContact CG-CE1 4.42Å; R448-Y552 PolarHBondContact NH1-OH 2.89Å; F452-Y552 HydrophobicContact CE1-CD1 4.09Å; F452-Y552 AromaticContact CZ-CD1 3.59Å; F452-Y552 HydrophobicContact CZ-CD1 3.59Å; F452-Y552 HydrophobicContact CZ-CE1 4.21Å; F547-Y552 HydrophobicContact CB-CD2 4.46Å; F547-Y552 HydrophobicContact CB-CE2 3.65Å; F547-Y552 WeakPolarHBondContact CD2-OH 3.5Å; F547-Y552 VanDerWaalsContact O-CE2 3.29Å; F547-Y552 WeakPolarHBondContact O-CE2 3.38Å; T548-Y552 WeakPolarHBondContact O-CD2 3.34Å; T548-Y552 PolarHBondContact O-N 3.06Å; W549-Y552 HydrophobicContact CE3-CD2 4.26Å; W549-Y552 HydrophobicContact CE3-CG 4.49Å; W549-Y552 WeakPolarHBondContact O-CB 3.5Å; W549-Y552 PolarHBondContact O-N 2.83Å; W549-Y552 VanDerWaalsContact O-N 3.14Å; Y552-L555 PolarHBondContact O-N 3.08Å; Y552-L556 VanDerWaalsContact O-CB 3.23Å; Y552-L556 WeakPolarHBondContact O-CB 3.29Å; Y552-L556 PolarHBondContact O-N 3.43Å
553I94.2Very high88.2Confident113 Ų11357 Ų5758%0.57929%0.29SS*.Hα-helixtrans-64.1-44.9179.2-66.7168.2000110.7W549 L550 L556 S557W549-I553 WeakPolarHBondContact O-CG1 3.48Å; W549-I553 PolarHBondContact O-N 2.8Å; L550-I553 PolarHBondContact O-N 3.4Å; I553-L556 PolarHBondContact O-N 3.45Å; I553-S557 WeakPolarHBondContact O-CB 3.29Å; I553-S557 PolarHBondContact O-N 3.35Å
554L94.9Very high90.2Very high83 Ų8356 Ų5644%0.43529%0.287SS..Hα-helixtrans-61.2-47.5178.8-172.5155.5000111.2I497 L550 F551 S557 K558I497-L554 HydrophobicContact CD1-CD2 3.58Å; I497-L554 HydrophobicContact CG1-CD2 3.55Å; L550-L554 VanDerWaalsContact O-CB 3.32Å; L550-L554 WeakPolarHBondContact O-CB 3.25Å; L550-L554 PolarHBondContact O-N 2.88Å; F551-L554 PolarHBondContact O-N 3.03Å; L554-S557 PolarHBondContact O-N 3.06Å; L554-K558 WeakPolarHBondContact O-CB 3.23Å; L554-K558 PolarHBondContact O-N 2.95Å
555L94.8Very high91.8Very high0 Ų054.4 Ų54.40%027%0.27CS..Hα-helixtrans-66-45-179.7-177.253.5000111.7F435 L439 F444 L449 F452 I497 F551 Y552 K558 L559F435-L555 HydrophobicContact CE1-CD1 3.92Å; F435-L555 HydrophobicContact CZ-CD1 3.5Å; F435-L555 VanDerWaalsContact CZ-CD1 3.5Å; L439-L555 HydrophobicContact CD1-CD1 4Å; L439-L555 HydrophobicContact CD1-CD2 3.98Å; F444-L555 HydrophobicContact CE1-CD2 4.26Å; F444-L555 HydrophobicContact CE2-CD2 3.98Å; F444-L555 HydrophobicContact CZ-CD2 3.75Å; L449-L555 HydrophobicContact CD2-CD2 4.46Å; F452-L555 HydrophobicContact CD2-CD2 4.32Å; F452-L555 HydrophobicContact CD2-CG 4.31Å; F452-L555 HydrophobicContact CE2-CB 4.29Å; F452-L555 HydrophobicContact CE2-CD2 3.45Å; F452-L555 VanDerWaalsContact CE2-CD2 3.45Å; F452-L555 HydrophobicContact CE2-CG 3.66Å; F452-L555 HydrophobicContact CZ-CB 4.4Å; F452-L555 HydrophobicContact CZ-CD2 4.18Å; F452-L555 HydrophobicContact CZ-CG 4.25Å; I497-L555 HydrophobicContact CG2-CD1 4.46Å; F551-L555 HydrophobicContact CE1-CD2 4.09Å; F551-L555 HydrophobicContact CZ-CD2 4.43Å; F551-L555 VanDerWaalsContact O-CB 3.23Å; F551-L555 WeakPolarHBondContact O-CB 3.09Å; F551-L555 PolarHBondContact O-N 3.04Å; Y552-L555 PolarHBondContact O-N 3.08Å; L555-K558 PolarHBondContact O-N 3.4Å; L555-L559 HydrophobicContact CD1-CD1 4.17Å; L555-L559 HydrophobicContact CD1-CG 4.28Å; L555-L559 HydrophobicContact CG-CD1 4.18Å; L555-L559 WeakPolarHBondContact O-CB 3.13Å; L555-L559 VanDerWaalsContact O-CG 3.28Å; L555-L559 WeakPolarHBondContact O-CG 3.36Å; L555-L559 PolarHBondContact O-N 3.42Å
556L94.4Very high92.8Very high54 Ų5451.8 Ų51.828%0.28326%0.264SS..Hα-helixtrans-63.8-41176.7-177.558000111.7F452 L455 L456 Y552 I553 L559 F560F452-L556 HydrophobicContact CB-CD1 4.36Å; F452-L556 HydrophobicContact CD1-CB 4.24Å; F452-L556 HydrophobicContact CD1-CD1 3.8Å; F452-L556 HydrophobicContact CD1-CG 4.43Å; F452-L556 HydrophobicContact CE1-CB 4.01Å; F452-L556 HydrophobicContact CE1-CD1 4.41Å; F452-L556 HydrophobicContact CG-CD1 4.33Å; L455-L556 HydrophobicContact CD1-CD2 4.32Å; L456-L556 HydrophobicContact CD2-CD1 4.32Å; L456-L556 HydrophobicContact CG-CD1 4.42Å; Y552-L556 VanDerWaalsContact O-CB 3.23Å; Y552-L556 WeakPolarHBondContact O-CB 3.29Å; Y552-L556 PolarHBondContact O-N 3.43Å; I553-L556 PolarHBondContact O-N 3.45Å; L556-L559 PolarHBondContact O-N 2.94Å; L556-F560 VanDerWaalsContact O-CB 3.24Å; L556-F560 WeakPolarHBondContact O-CB 3.43Å; L556-F560 PolarHBondContact O-N 3.41Å
557S95Very high93.2Very high68 Ų6850.5 Ų50.548%0.47626%0.255SS..Hα-helixtrans-62.2-47.9175.5-179.10000111.6I553 L554 L559 F560 V561I553-S557 WeakPolarHBondContact O-CB 3.29Å; I553-S557 PolarHBondContact O-N 3.35Å; L554-S557 PolarHBondContact O-N 3.06Å; S557-L559 VanDerWaalsContact C-N 3.34Å; S557-L559 PolarHBondContact O-N 3.17Å; S557-F560 WeakPolarHBondContact O-CB 3.31Å; S557-F560 PolarHBondContact O-N 2.88Å; S557-V561 WeakPolarHBondContact O-CG2 3.32Å; S557-V561 PolarHBondContact O-N 3.39Å
558K95Very high93.3Very high16 Ų1652.1 Ų52.17%0.0726%0.264CS..Hα-helixtrans-57.2-47.5174.8-178-94.3-174167.60111.5F435 V490 T494 I497 L554 L555 F560 Y562F435-K558 HydrophobicContact CZ-CD 4.36Å; V490-K558 HydrophobicContact CG1-CG 4.05Å; T494-K558 PolarHBondContact OG1-NZ 3.44Å; I497-K558 HydrophobicContact CD1-CB 4.02Å; I497-K558 HydrophobicContact CD1-CD 4.32Å; I497-K558 HydrophobicContact CD1-CG 3.78Å; L554-K558 WeakPolarHBondContact O-CB 3.23Å; L554-K558 PolarHBondContact O-N 2.95Å; L555-K558 PolarHBondContact O-N 3.4Å; K558-F560 VanDerWaalsContact C-N 3.34Å; K558-Y562 WeakPolarHBondContact O-CB 3.48Å; K558-Y562 PolarHBondContact O-N 3.17Å
559L94Very high93.3Very high28 Ų2850 Ų5015%0.14725%0.25CC..Hα-helixtrans-66.7-35.6179.7-70.8172.7000112.2F435 F452 L456 L555 L556 S557 S563F435-L559 HydrophobicContact CE1-CD2 4.09Å; F452-L559 HydrophobicContact CB-CD1 3.98Å; F452-L559 HydrophobicContact CD2-CD1 3.76Å; F452-L559 HydrophobicContact CG-CD1 4.16Å; L456-L559 HydrophobicContact CD1-CB 3.59Å; L555-L559 HydrophobicContact CD1-CD1 4.17Å; L555-L559 HydrophobicContact CD1-CG 4.28Å; L555-L559 HydrophobicContact CG-CD1 4.18Å; L555-L559 WeakPolarHBondContact O-CB 3.13Å; L555-L559 VanDerWaalsContact O-CG 3.28Å; L555-L559 WeakPolarHBondContact O-CG 3.36Å; L555-L559 PolarHBondContact O-N 3.42Å; L556-L559 PolarHBondContact O-N 2.94Å; S557-L559 VanDerWaalsContact C-N 3.34Å; S557-L559 PolarHBondContact O-N 3.17Å; L559-S563 WeakPolarHBondContact O-CB 3.49Å; L559-S563 PolarHBondContact O-N 3.23Å
560F94.3Very high93.3Very high94 Ų9443.4 Ų43.441%0.41223%0.229SC..Hα-helixtrans-62.6-52.1175.4176.1-86.1000111.9L456 I459 L556 S557 K558 Y562 S563 T564L456-F560 HydrophobicContact CD2-CB 3.8Å; L456-F560 HydrophobicContact CD2-CD2 3.89Å; L456-F560 HydrophobicContact CD2-CG 4.3Å; I459-F560 HydrophobicContact CD1-CD2 3.44Å; I459-F560 VanDerWaalsContact CD1-CD2 3.44Å; I459-F560 HydrophobicContact CD1-CE2 3.26Å; I459-F560 HydrophobicContact CD1-CZ 4.47Å; I459-F560 HydrophobicContact CG1-CD2 4.38Å; I459-F560 HydrophobicContact CG1-CE2 3.79Å; L556-F560 VanDerWaalsContact O-CB 3.24Å; L556-F560 WeakPolarHBondContact O-CB 3.43Å; L556-F560 PolarHBondContact O-N 3.41Å; S557-F560 WeakPolarHBondContact O-CB 3.31Å; S557-F560 PolarHBondContact O-N 2.88Å; K558-F560 VanDerWaalsContact C-N 3.34Å; F560-Y562 PolarHBondContact O-N 3.1Å; F560-S563 PolarHBondContact O-N 3.14Å; F560-T564 WeakPolarHBondContact O-CB 3.49Å; F560-T564 PolarHBondContact O-N 2.83Å; F560-T564 PolarHBondContact O-OG1 3.11Å
561V94.9Very high93.2Very high57 Ų5737.4 Ų37.435%0.34520%0.198SC..Hα-helixtrans-63.1-46179.3-179.20000109.9V490 S557 S563 T564 I565V490-V561 HydrophobicContact CG2-CB 4.35Å; V490-V561 HydrophobicContact CG2-CG1 3.61Å; S557-V561 WeakPolarHBondContact O-CG2 3.32Å; S557-V561 PolarHBondContact O-N 3.39Å; V561-S563 PolarHBondContact O-N 3.44Å; V561-T564 PolarHBondContact O-N 2.7Å; V561-I565 HydrophobicContact CG1-CD1 3.78Å; V561-I565 VanDerWaalsContact O-CG1 3.31Å; V561-I565 WeakPolarHBondContact O-CG1 3.45Å; V561-I565 PolarHBondContact O-N 2.93Å; V561-I565 VanDerWaalsContact O-N 3.1Å
562Y94.4Very high93.1Very high45 Ų4537.3 Ų37.318%0.17620%0.197CC..Hα-helixtrans-56.9-49.2176.6171.4-93.7000112.1E432 R487 K558 F560 T564 I565 S566E432-Y562 HydrophobicContact CG-CE2 4.02Å; E432-Y562 WeakPolarHBondContact CG-OH 3.34Å; E432-Y562 PolarHBondContact OE1-OH 3.37Å; E432-Y562 PolarHBondContact OE2-OH 2.96Å; R487-Y562 HydrophobicContact CG-CE2 4.49Å; R487-Y562 PolarHBondContact NH2-OH 3.03Å; K558-Y562 WeakPolarHBondContact O-CB 3.48Å; K558-Y562 PolarHBondContact O-N 3.17Å; F560-Y562 PolarHBondContact O-N 3.1Å; Y562-T564 PolarHBondContact O-N 3.16Å; Y562-I565 PolarHBondContact O-N 3.46Å; Y562-S566 WeakPolarHBondContact O-CB 3.24Å; Y562-S566 PolarHBondContact O-N 2.93Å
563S91.2Very high93Very high4 Ų436.5 Ų36.53%0.02819%0.194CC..Hα-helixtrans-63.2-43-178.7-176.40000111.7Q460 L559 F560 V561 S566 S567Q460-S563 WeakPolarHBondContact CG-OG 3.41Å; Q460-S563 PolarHBondContact NE2-OG 2.92Å; L559-S563 WeakPolarHBondContact O-CB 3.49Å; L559-S563 PolarHBondContact O-N 3.23Å; F560-S563 PolarHBondContact O-N 3.14Å; V561-S563 PolarHBondContact O-N 3.44Å; S563-S566 PolarHBondContact O-N 3.44Å; S563-S567 PolarHBondContact O-N 2.66Å; S563-S567 PolarHBondContact O-OG 3.49Å
564T92Very high92.8Very high29 Ų2931.4 Ų31.418%0.17817%0.168CC..Hα-helixtrans-59.4-50.5178.6-600000111L463 F560 V561 Y562 S566 S567 I568L463-T564 HydrophobicContact CD2-CG2 3.6Å; F560-T564 WeakPolarHBondContact O-CB 3.49Å; F560-T564 PolarHBondContact O-N 2.83Å; F560-T564 PolarHBondContact O-OG1 3.11Å; V561-T564 PolarHBondContact O-N 2.7Å; Y562-T564 PolarHBondContact O-N 3.16Å; T564-S566 VanDerWaalsContact C-N 3.33Å; T564-S566 PolarHBondContact O-N 3.45Å; T564-S567 PolarHBondContact O-N 3.15Å; T564-I568 HydrophobicContact CG2-CD1 4.32Å; T564-I568 WeakPolarHBondContact O-CG1 3.48Å; T564-I568 PolarHBondContact O-N 3.02Å; T564-I568 VanDerWaalsContact O-N 3.09Å
565I93.9Very high92.4Very high19 Ų1927.9 Ų27.910%0.09715%0.151CC..Hα-helixtrans-64.8-40.3179.3-60.4164.8000110.6A483 P486 R487 V490 V561 Y562 S567 I568 M569A483-I565 HydrophobicContact CB-CG2 4.27Å; A483-I565 WeakPolarHBondContact O-CG2 3.4Å; P486-I565 HydrophobicContact CB-CD1 3.93Å; P486-I565 HydrophobicContact CG-CD1 4.27Å; R487-I565 HydrophobicContact CB-CG2 3.71Å; R487-I565 HydrophobicContact CG-CG2 4.33Å; V490-I565 HydrophobicContact CG2-CD1 4.27Å; V561-I565 HydrophobicContact CG1-CD1 3.78Å; V561-I565 VanDerWaalsContact O-CG1 3.31Å; V561-I565 WeakPolarHBondContact O-CG1 3.45Å; V561-I565 PolarHBondContact O-N 2.93Å; V561-I565 VanDerWaalsContact O-N 3.1Å; Y562-I565 PolarHBondContact O-N 3.46Å; I565-S567 PolarHBondContact O-N 3.44Å; I565-I568 PolarHBondContact O-N 2.78Å; I565-M569 HydrophobicContact CG2-CG 4.46Å; I565-M569 HydrophobicContact CG2-SD 4.27Å; I565-M569 WeakPolarHBondContact O-CG 3.33Å; I565-M569 PolarHBondContact O-N 3.13Å
566S92.2Very high92.2Very high25 Ų2528 Ų2818%0.17515%0.152CC..Hα-helixtrans-62.2-43.2177.6-173.50000112.5R487 Y562 S563 T564 M569 M570R487-S566 PolarHBondContact NH1-OG 3.22Å; R487-S566 PolarHBondContact NH2-OG 3.16Å; Y562-S566 WeakPolarHBondContact O-CB 3.24Å; Y562-S566 PolarHBondContact O-N 2.93Å; S563-S566 PolarHBondContact O-N 3.44Å; T564-S566 VanDerWaalsContact C-N 3.33Å; T564-S566 PolarHBondContact O-N 3.45Å; S566-M569 PolarHBondContact O-N 3.12Å; S566-M570 WeakPolarHBondContact O-CB 3.01Å; S566-M570 PolarHBondContact O-N 2.83Å
567S89.8Confident92Very high10 Ų1025.4 Ų25.47%0.0714%0.138CC..Hα-helixtrans-61.6-42.7175.1-67.20000112.1S563 T564 I565 M570 V571S563-S567 PolarHBondContact O-N 2.66Å; S563-S567 PolarHBondContact O-OG 3.49Å; T564-S567 PolarHBondContact O-N 3.15Å; I565-S567 PolarHBondContact O-N 3.44Å; S567-M570 PolarHBondContact O-N 3.49Å; S567-V571 WeakPolarHBondContact O-CG2 3.44Å; S567-V571 PolarHBondContact O-N 3.01Å
568I91.1Very high91.5Very high41 Ų4123.2 Ų23.221%0.2112%0.124CC..Hα-helixtrans-59.1-51.8175.2-66.6163.5000110.4L463 I467 V479 A483 T564 I565 M570 V571 V572L463-I568 HydrophobicContact CD2-CG1 4.36Å; I467-I568 HydrophobicContact CD1-CB 4.2Å; I467-I568 HydrophobicContact CD1-CG1 3.59Å; V479-I568 HydrophobicContact CG1-CG2 4.35Å; A483-I568 HydrophobicContact CB-CG2 4.47Å; T564-I568 HydrophobicContact CG2-CD1 4.32Å; T564-I568 WeakPolarHBondContact O-CG1 3.48Å; T564-I568 PolarHBondContact O-N 3.02Å; T564-I568 VanDerWaalsContact O-N 3.09Å; I565-I568 PolarHBondContact O-N 2.78Å; I568-M570 VanDerWaalsContact C-N 3.28Å; I568-M570 PolarHBondContact O-N 3.24Å; I568-V571 PolarHBondContact O-N 2.9Å; I568-V572 HydrophobicContact CG2-CG2 4.32Å; I568-V572 WeakPolarHBondContact O-CB 2.95Å; I568-V572 VanDerWaalsContact O-CG2 3.24Å; I568-V572 WeakPolarHBondContact O-CG2 3.16Å; I568-V572 PolarHBondContact O-N 3.22Å
569M92.6Very high90.9Very high4 Ų426.6 Ų26.62%0.0214%0.139CC..Hα-helixtrans-59.4-40.3179.8-71.5-178.374.500111.9V424 F480 A483 F484 R487 I565 S566 Q573V424-M569 HydrophobicContact CG1-CE 4.05Å; F480-M569 HydrophobicContact CD1-CE 4.38Å; F480-M569 HydrophobicContact CD2-CB 3.96Å; F480-M569 HydrophobicContact CD2-CE 3.99Å; F480-M569 HydrophobicContact CD2-CG 4.24Å; F480-M569 HydrophobicContact CE1-CE 3.97Å; F480-M569 HydrophobicContact CE2-CB 3.93Å; F480-M569 HydrophobicContact CE2-CE 3.54Å; F480-M569 HydrophobicContact CE2-CG 4.41Å; F480-M569 HydrophobicContact CG-CE 4.39Å; F480-M569 HydrophobicContact CZ-CE 3.53Å; A483-M569 HydrophobicContact CB-CG 3.79Å; F484-M569 HydrophobicContact CB-CE 3.88Å; F484-M569 HydrophobicContact CB-SD 4.5Å; F484-M569 HydrophobicContact CD2-CE 4.27Å; R487-M569 HydrophobicContact CB-SD 4.2Å; R487-M569 WeakPolarHBondContact CD-SD 3.37Å; R487-M569 HydrophobicContact CG-SD 4.4Å; I565-M569 HydrophobicContact CG2-CG 4.46Å; I565-M569 HydrophobicContact CG2-SD 4.27Å; I565-M569 WeakPolarHBondContact O-CG 3.33Å; I565-M569 PolarHBondContact O-N 3.13Å; S566-M569 PolarHBondContact O-N 3.12Å; M569-Q573 VanDerWaalsContact O-CB 3.28Å; M569-Q573 WeakPolarHBondContact O-CB 3.46Å; M569-Q573 PolarHBondContact O-N 3.15Å
570M90.7Very high90.5Very high72 Ų7225.6 Ų25.636%0.35513%0.134SC..Hα-helixtrans-64.7-48.4178.6-170.263.67700111.8V151 S566 S567 I568 V572 Q573 V574V151-M570 HydrophobicContact CG1-CG 4.29Å; V151-M570 HydrophobicContact CG2-CG 3.76Å; S566-M570 WeakPolarHBondContact O-CB 3.01Å; S566-M570 PolarHBondContact O-N 2.83Å; S567-M570 PolarHBondContact O-N 3.49Å; I568-M570 VanDerWaalsContact C-N 3.28Å; I568-M570 PolarHBondContact O-N 3.24Å; M570-V572 VanDerWaalsContact C-N 3.33Å; M570-V572 PolarHBondContact O-N 2.93Å; M570-Q573 PolarHBondContact O-N 3.31Å; M570-V574 WeakPolarHBondContact O-CG2 3.27Å; M570-V574 PolarHBondContact O-N 3.37Å; M570-V574 HydrophobicContact SD-CG2 4.48Å
571V90.1Very high90Very high0 Ų021.8 Ų21.80%012%0.119CC..Hα-helixtrans-59.6-45.5178.7173.30000111.2V151 P464 T471 S567 I568 Q573 V574 A575V151-V571 HydrophobicContact CB-CG2 4.28Å; V151-V571 HydrophobicContact CG1-CG2 4.06Å; V151-V571 HydrophobicContact CG2-CG2 4.19Å; P464-V571 HydrophobicContact CB-CG2 3.69Å; P464-V571 HydrophobicContact CG-CG2 3.98Å; T471-V571 HydrophobicContact CG2-CG1 4.27Å; T471-V571 WeakPolarHBondContact OG1-CG1 3.49Å; S567-V571 WeakPolarHBondContact O-CG2 3.44Å; S567-V571 PolarHBondContact O-N 3.01Å; I568-V571 PolarHBondContact O-N 2.9Å; V571-Q573 PolarHBondContact O-N 3.29Å; V571-V574 PolarHBondContact O-N 3Å; V571-A575 VanDerWaalsContact O-CB 3.24Å; V571-A575 WeakPolarHBondContact O-CB 3.44Å; V571-A575 PolarHBondContact O-N 3.11Å
572V91.8Very high89Confident0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-64.1-40.6179.6172.10000111.6T471 P476 V479 F480 I568 M570 A575 F576T471-V572 HydrophobicContact CG2-CG2 3.64Å; P476-V572 VanDerWaalsContact C-CG1 3.48Å; P476-V572 HydrophobicContact CB-CG1 3.74Å; P476-V572 WeakPolarHBondContact O-CG1 3.4Å; V479-V572 HydrophobicContact CB-CG1 4.43Å; V479-V572 HydrophobicContact CB-CG2 4.26Å; V479-V572 HydrophobicContact CG1-CG2 3.93Å; F480-V572 HydrophobicContact CB-CG1 3.76Å; I568-V572 HydrophobicContact CG2-CG2 4.32Å; I568-V572 WeakPolarHBondContact O-CB 2.95Å; I568-V572 VanDerWaalsContact O-CG2 3.24Å; I568-V572 WeakPolarHBondContact O-CG2 3.16Å; I568-V572 PolarHBondContact O-N 3.22Å; M570-V572 VanDerWaalsContact C-N 3.33Å; M570-V572 PolarHBondContact O-N 2.93Å; V572-A575 PolarHBondContact O-N 3.45Å; V572-F576 PolarHBondContact O-N 2.83Å
573Q91.8Very high87.7Confident5 Ų521.7 Ų21.72%0.02312%0.123CC..Hα-helixtrans-63.9-48.6177.8-167.8-166-6800111.4L421 F480 M569 M570 V571 A575 F576 H577 S597L421-Q573 HydrophobicContact CD2-CG 4.13Å; F480-Q573 HydrophobicContact CD2-CB 4.39Å; F480-Q573 HydrophobicContact CE2-CB 4.19Å; M569-Q573 VanDerWaalsContact O-CB 3.28Å; M569-Q573 WeakPolarHBondContact O-CB 3.46Å; M569-Q573 PolarHBondContact O-N 3.15Å; M570-Q573 PolarHBondContact O-N 3.31Å; V571-Q573 PolarHBondContact O-N 3.29Å; Q573-A575 VanDerWaalsContact C-N 3.3Å; Q573-A575 PolarHBondContact O-N 3.01Å; Q573-F576 PolarHBondContact O-N 2.85Å; Q573-H577 PolarHBondContact O-CD2 3.29Å; Q573-H577 PolarHBondContact O-N 3.06Å; Q573-S597 PolarHBondContact NE2-OG 3.2Å
574V89.8Confident86.4Confident5 Ų523.1 Ų23.13%0.0314%0.135CC..Hα-helixtrans-65.6-35.4177.9-178.30000111S147 V151 M570 V571 H577 A578 M590S147-V574 VanDerWaalsContact CB-CG1 3.47Å; V151-V574 HydrophobicContact CG2-CG2 4.13Å; M570-V574 WeakPolarHBondContact O-CG2 3.27Å; M570-V574 PolarHBondContact O-N 3.37Å; M570-V574 HydrophobicContact SD-CG2 4.48Å; V571-V574 PolarHBondContact O-N 3Å; V574-H577 PolarHBondContact O-N 2.97Å; V574-A578 PolarHBondContact O-N 3.27Å; V574-M590 HydrophobicContact CG1-CE 3.61Å
575A87.6Confident85.5Confident10 Ų1022.3 Ų22.38%0.08313%0.13CC..Hα-helixtrans-63.9-42.1172.800000112.2N472 V571 V572 Q573 A578 K579N472-A575 WeakPolarHBondContact OD1-CB 3.27Å; V571-A575 VanDerWaalsContact O-CB 3.24Å; V571-A575 WeakPolarHBondContact O-CB 3.44Å; V571-A575 PolarHBondContact O-N 3.11Å; V572-A575 PolarHBondContact O-N 3.45Å; Q573-A575 VanDerWaalsContact C-N 3.3Å; Q573-A575 PolarHBondContact O-N 3.01Å; A575-A578 PolarHBondContact O-N 3.36Å; A575-K579 WeakPolarHBondContact O-CB 3.29Å; A575-K579 PolarHBondContact O-N 3.29Å
576F90.8Very high84.5Confident2 Ų221.5 Ų21.51%0.00913%0.126CC..Hα-helixtrans-63.5-42.7174-177.5-106.1000111.4F417 P476 L477 V572 Q573 A578 K579 I580 Y726F417-F576 HydrophobicContact CD1-CE1 4.25Å; F417-F576 HydrophobicContact CD2-CD1 4Å; F417-F576 AromaticContact CD2-CE1 3.51Å; F417-F576 HydrophobicContact CD2-CE1 3.51Å; F417-F576 HydrophobicContact CD2-CZ 4.44Å; F417-F576 HydrophobicContact CE1-CD1 4.24Å; F417-F576 HydrophobicContact CE1-CE1 4.23Å; F417-F576 AromaticContact CE2-CD1 3.47Å; F417-F576 HydrophobicContact CE2-CD1 3.47Å; F417-F576 VanDerWaalsContact CE2-CD1 3.47Å; F417-F576 AromaticContact CE2-CE1 3.51Å; F417-F576 HydrophobicContact CE2-CE1 3.51Å; F417-F576 AromaticContact CG-CE1 3.89Å; F417-F576 HydrophobicContact CG-CE1 3.89Å; F417-F576 AromaticContact CZ-CD1 3.58Å; F417-F576 HydrophobicContact CZ-CD1 3.58Å; F417-F576 AromaticContact CZ-CE1 3.85Å; F417-F576 HydrophobicContact CZ-CE1 3.85Å; P476-F576 HydrophobicContact CB-CB 4.28Å; P476-F576 HydrophobicContact CG-CB 3.97Å; P476-F576 HydrophobicContact CG-CD2 3.63Å; P476-F576 HydrophobicContact CG-CG 4.26Å; L477-F576 HydrophobicContact CD1-CD1 4.37Å; L477-F576 HydrophobicContact CD1-CD2 4.14Å; L477-F576 HydrophobicContact CD1-CE1 3.92Å; L477-F576 HydrophobicContact CD1-CE2 3.64Å; L477-F576 HydrophobicContact CD1-CG 4.47Å; L477-F576 HydrophobicContact CD1-CZ 3.53Å; L477-F576 HydrophobicContact CD2-CB 4.35Å; L477-F576 HydrophobicContact CD2-CD1 3.89Å; L477-F576 HydrophobicContact CD2-CD2 4.23Å; L477-F576 HydrophobicContact CD2-CE1 4.21Å; L477-F576 HydrophobicContact CD2-CG 3.88Å; L477-F576 HydrophobicContact CG-CD1 4.27Å; L477-F576 HydrophobicContact CG-CD2 3.83Å; L477-F576 HydrophobicContact CG-CE1 4.32Å; L477-F576 HydrophobicContact CG-CE2 3.86Å; L477-F576 HydrophobicContact CG-CG 4.02Å; L477-F576 HydrophobicContact CG-CZ 4.12Å; V572-F576 PolarHBondContact O-N 2.83Å; Q573-F576 PolarHBondContact O-N 2.85Å; F576-A578 PolarHBondContact O-N 3.26Å; F576-K579 WeakPolarHBondContact O-CB 3.41Å; F576-K579 PolarHBondContact O-N 3.49Å; F576-K579 VanDerWaalsContact O-N 3.15Å; F576-I580 HydrophobicContact CD1-CD1 4.24Å; F576-I580 HydrophobicContact CD2-CG2 4.15Å; F576-I580 HydrophobicContact CE1-CD1 3.7Å; F576-I580 HydrophobicContact CE1-CG1 4.44Å; F576-I580 HydrophobicContact CE1-CG2 4.1Å; F576-I580 HydrophobicContact CE2-CG2 3.68Å; F576-I580 HydrophobicContact CZ-CD1 4.19Å; F576-I580 HydrophobicContact CZ-CG2 3.64Å; F576-I580 WeakPolarHBondContact O-CG1 3.46Å; F576-I580 PolarHBondContact O-N 3.09Å; F576-Y726 HydrophobicContact CZ-CE1 4.35Å
577H89.9Confident84Confident0 Ų020.3 Ų20.30%012%0.118CC..Hα-helixtrans-57.9-47.9175.6-66-173.8000111.7F417 Q573 V574 K579 I580 S581 M590 L593 N594F417-H577 AromaticContact CE1-CD2 3.71Å; F417-H577 AromaticContact CE1-NE2 3.45Å; F417-H577 WeakPolarHBondContact CE1-NE2 3.46Å; F417-H577 AromaticContact CZ-CD2 3.6Å; F417-H577 AromaticContact CZ-NE2 3.37Å; F417-H577 WeakPolarHBondContact CZ-NE2 3.35Å; Q573-H577 PolarHBondContact O-CD2 3.29Å; Q573-H577 PolarHBondContact O-N 3.06Å; V574-H577 PolarHBondContact O-N 2.97Å; H577-K579 VanDerWaalsContact C-N 3.3Å; H577-K579 PolarHBondContact O-N 3.49Å; H577-I580 PolarHBondContact O-N 3.13Å; H577-S581 WeakPolarHBondContact O-CB 3.41Å; H577-S581 PolarHBondContact O-N 3.36Å; H577-S581 PolarHBondContact O-OG 3.39Å; H577-M590 HydrophobicContact CB-CE 3.81Å; H577-M590 HydrophobicContact CB-SD 3.49Å; H577-M590 WeakPolarHBondContact CB-SD 3.45Å; H577-L593 HydrophobicContact CB-CB 4.26Å; H577-L593 HydrophobicContact CB-CD1 3.75Å; H577-L593 PolarHBondContact CE1-O 3.39Å; H577-N594 PolarHBondContact ND1-OD1 2.93Å
578A83.8Confident83.7Confident22 Ų2220 Ų2018%0.18212%0.116CC..Hα-helixtrans-63.2-35.7176.900000112.4V574 A575 F576V574-A578 PolarHBondContact O-N 3.27Å; A575-A578 PolarHBondContact O-N 3.36Å; F576-A578 PolarHBondContact O-N 3.26Å
579K83.1Confident83.4Confident86 Ų8618.4 Ų18.437%0.37411%0.107SC..Hα-helixtrans-67.9-39179.4-176.5-173.8175.2-164.50113.1P474 P476 A575 F576 H577P474-K579 PolarHBondContact O-NZ 2.91Å; P476-K579 HydrophobicContact CG-CD 4.43Å; A575-K579 WeakPolarHBondContact O-CB 3.29Å; A575-K579 PolarHBondContact O-N 3.29Å; F576-K579 WeakPolarHBondContact O-CB 3.41Å; F576-K579 PolarHBondContact O-N 3.49Å; F576-K579 VanDerWaalsContact O-N 3.15Å; H577-K579 VanDerWaalsContact C-N 3.3Å; H577-K579 PolarHBondContact O-N 3.49Å
580I85.3Confident83.1Confident7 Ų718.7 Ų18.74%0.03611%0.109CC..Hα-helixtrans-91.7-15.3-177.369.2169.1000113.7F576 H577 D582 Y589 L593 Y726F576-I580 HydrophobicContact CD1-CD1 4.24Å; F576-I580 HydrophobicContact CD2-CG2 4.15Å; F576-I580 HydrophobicContact CE1-CD1 3.7Å; F576-I580 HydrophobicContact CE1-CG1 4.44Å; F576-I580 HydrophobicContact CE1-CG2 4.1Å; F576-I580 HydrophobicContact CE2-CG2 3.68Å; F576-I580 HydrophobicContact CZ-CD1 4.19Å; F576-I580 HydrophobicContact CZ-CG2 3.64Å; F576-I580 WeakPolarHBondContact O-CG1 3.46Å; F576-I580 PolarHBondContact O-N 3.09Å; H577-I580 PolarHBondContact O-N 3.13Å; I580-D582 PolarHBondContact O-N 2.91Å; I580-Y589 HydrophobicContact CD1-CE1 4.27Å; I580-Y589 HydrophobicContact CG1-CE1 4.27Å; I580-L593 HydrophobicContact CD1-CD1 3.58Å; I580-L593 HydrophobicContact CD1-CD2 4.15Å; I580-L593 HydrophobicContact CG1-CD1 3.63Å; I580-Y726 HydrophobicContact CB-CD1 4.35Å; I580-Y726 HydrophobicContact CB-CD2 4.26Å; I580-Y726 HydrophobicContact CB-CG 3.97Å; I580-Y726 HydrophobicContact CD1-CD1 3.95Å; I580-Y726 HydrophobicContact CD1-CE1 4.34Å; I580-Y726 HydrophobicContact CD1-CG 4.41Å; I580-Y726 HydrophobicContact CG2-CD1 4.37Å; I580-Y726 HydrophobicContact CG2-CD2 3.89Å; I580-Y726 HydrophobicContact CG2-CE2 4.09Å; I580-Y726 HydrophobicContact CG2-CG 4.03Å
581S83.8Confident83Confident15 Ų1515.3 Ų15.311%0.1059%0.092CC..SBendtrans-69120.4178.7-65.50000110.4H577 P583H577-S581 WeakPolarHBondContact O-CB 3.41Å; H577-S581 PolarHBondContact O-N 3.36Å; H577-S581 PolarHBondContact O-OG 3.39Å; S581-P583 WeakPolarHBondContact O-CD 3.23Å
582D73.3Confident82.9Confident31 Ų3115.5 Ų15.517%0.1669%0.093CC..  trans-63.7123.3174.7-172.9-28.8000109.9I580 A584 V585 G586 Y589I580-D582 PolarHBondContact O-N 2.91Å; D582-A584 PolarHBondContact O-N 3.18Å; D582-A584 VanDerWaalsContact O-N 3.13Å; D582-A584 WeakPolarHBondContact OD1-CB 3.32Å; D582-A584 PolarHBondContact OD1-N 2.99Å; D582-V585 CarbonylContact O-C 3.34Å; D582-V585 PolarHBondContact O-N 3.46Å; D582-G586 WeakPolarHBondContact O-CA 3.39Å; D582-G586 PolarHBondContact O-N 2.79Å; D582-Y589 HydrophobicContact CB-CD2 4.47Å
583P66.2Low82.8Confident68 Ų6815.6 Ų15.644%0.4429%0.094SC..G310 helixtrans-54.2-31.2178.6-27.235.1000114.7S581 V585 G586S581-P583 WeakPolarHBondContact O-CD 3.23Å; P583-V585 PolarHBondContact O-N 3.42Å; P583-G586 PolarHBondContact O-N 3.36Å
584A65.4Low82.6Confident35 Ų3516 Ų1629%0.28910%0.096SC..G310 helixtrans-65.1-24.3-179.700000113D582D582-A584 PolarHBondContact O-N 3.18Å; D582-A584 VanDerWaalsContact O-N 3.13Å; D582-A584 WeakPolarHBondContact OD1-CB 3.32Å; D582-A584 PolarHBondContact OD1-N 2.99Å
585V73.5Confident82.6Confident12 Ų1215.8 Ų15.87%0.07310%0.095CC..G310 helixtrans-13524.3-175.6-1420000110.1L396 I404 D582 P583 G587 T588 Y589L396-V585 HydrophobicContact CD1-CG1 4.12Å; I404-V585 HydrophobicContact CB-CG1 4.37Å; I404-V585 HydrophobicContact CD1-CG1 3.9Å; I404-V585 HydrophobicContact CD1-CG2 3.91Å; I404-V585 HydrophobicContact CG2-CB 4.23Å; I404-V585 HydrophobicContact CG2-CG1 3.9Å; I404-V585 HydrophobicContact CG2-CG2 3.99Å; D582-V585 CarbonylContact O-C 3.34Å; D582-V585 PolarHBondContact O-N 3.46Å; P583-V585 PolarHBondContact O-N 3.42Å; V585-G587 VanDerWaalsContact C-N 3.31Å; V585-G587 PolarHBondContact O-N 2.87Å; V585-T588 PolarHBondContact O-N 2.9Å; V585-T588 VanDerWaalsContact O-N 3.16Å; V585-Y589 WeakPolarHBondContact O-CB 3.32Å; V585-Y589 PolarHBondContact O-N 3.12Å
586G72.9Confident82.5Confident1 Ų116.3 Ų16.31%0.0110%0.097CC..Hα-helixtrans-64.3-35.7-159.800000112.9I135 D582 P583 M590I135-G586 VanDerWaalsContact CD1-C 3.4Å; D582-G586 WeakPolarHBondContact O-CA 3.39Å; D582-G586 PolarHBondContact O-N 2.79Å; P583-G586 PolarHBondContact O-N 3.36Å; G586-M590 WeakPolarHBondContact O-CB 3.31Å; G586-M590 PolarHBondContact O-N 3.15Å
587G80.3Confident82.5Confident1 Ų116.7 Ų16.71%0.0110%0.1CC..Hα-helixtrans-61.8-50.6175.700000112.5V585 T591V585-G587 VanDerWaalsContact C-N 3.31Å; V585-G587 PolarHBondContact O-N 2.87Å; G587-T591 VanDerWaalsContact O-CB 3.27Å; G587-T591 WeakPolarHBondContact O-CB 3.27Å; G587-T591 PolarHBondContact O-N 2.98Å; G587-T591 PolarHBondContact O-OG1 2.84Å
588T84.2Confident82.5Confident4 Ų419.3 Ų19.33%0.02511%0.114CC..Hα-helixtrans-67-40.1179.2-44.30000111.3P51 D54 T401 M405 V585 T591 L592P51-T588 HydrophobicContact CG-CG2 4.39Å; D54-T588 VanDerWaalsContact CG-OG1 3.29Å; D54-T588 WeakPolarHBondContact OD2-CA 3.32Å; D54-T588 WeakPolarHBondContact OD2-CB 3.47Å; D54-T588 PolarHBondContact OD2-N 2.86Å; D54-T588 VanDerWaalsContact OD2-N 3.11Å; D54-T588 PolarHBondContact OD2-OG1 3.06Å; T401-T588 HydrophobicContact CG2-CG2 3.94Å; M405-T588 HydrophobicContact CB-CG2 4.32Å; M405-T588 HydrophobicContact SD-CG2 4.39Å; V585-T588 PolarHBondContact O-N 2.9Å; V585-T588 VanDerWaalsContact O-N 3.16Å; T588-T591 PolarHBondContact O-N 3.31Å; T588-L592 WeakPolarHBondContact O-CB 3.28Å; T588-L592 PolarHBondContact O-N 3.09Å
589Y85.2Confident82.8Confident6 Ų620.5 Ų20.52%0.02412%0.117CC..Hα-helixtrans-64.8-51.1178.2-157-48.7000111V408 I580 D582 V585 T591 L592 L593 Y726V408-Y589 HydrophobicContact CB-CE2 4.29Å; V408-Y589 HydrophobicContact CG1-CD2 4.15Å; V408-Y589 HydrophobicContact CG1-CE1 3.89Å; V408-Y589 HydrophobicContact CG1-CE2 3.51Å; V408-Y589 WeakPolarHBondContact CG1-OH 3.26Å; V408-Y589 HydrophobicContact CG2-CD2 3.96Å; V408-Y589 HydrophobicContact CG2-CE2 3.69Å; I580-Y589 HydrophobicContact CD1-CE1 4.27Å; I580-Y589 HydrophobicContact CG1-CE1 4.27Å; D582-Y589 HydrophobicContact CB-CD2 4.47Å; V585-Y589 WeakPolarHBondContact O-CB 3.32Å; V585-Y589 PolarHBondContact O-N 3.12Å; Y589-T591 PolarHBondContact O-N 2.95Å; Y589-L592 WeakPolarHBondContact O-CB 3.28Å; Y589-L592 PolarHBondContact O-N 2.8Å; Y589-L592 VanDerWaalsContact O-N 3.09Å; Y589-L593 HydrophobicContact CD1-CD1 3.73Å; Y589-L593 HydrophobicContact CD1-CG 3.83Å; Y589-L593 HydrophobicContact CE1-CD1 3.64Å; Y589-L593 HydrophobicContact CE1-CD2 4Å; Y589-L593 HydrophobicContact CE1-CG 3.76Å; Y589-L593 PolarHBondContact O-N 2.85Å; Y589-Y726 VanDerWaalsContact CE2-O 3.27Å; Y589-Y726 WeakPolarHBondContact CE2-O 3.35Å; Y589-Y726 PolarHBondContact OH-O 3.26Å
590M86.1Confident83.1Confident11 Ų1116.5 Ų16.55%0.05410%0.1CC..Hα-helixtrans-57.5-42.9177.4-17268.7179.300110.5D131 V574 H577 G586 L593 N594D131-M590 HydrophobicContact CB-CG 4.41Å; V574-M590 HydrophobicContact CG1-CE 3.61Å; H577-M590 HydrophobicContact CB-CE 3.81Å; H577-M590 HydrophobicContact CB-SD 3.49Å; H577-M590 WeakPolarHBondContact CB-SD 3.45Å; G586-M590 WeakPolarHBondContact O-CB 3.31Å; G586-M590 PolarHBondContact O-N 3.15Å; M590-L593 PolarHBondContact O-N 2.6Å; M590-N594 WeakPolarHBondContact O-CB 3.19Å; M590-N594 VanDerWaalsContact O-CG 3.28Å; M590-N594 PolarHBondContact O-N 3.33Å
591T87.8Confident83.2Confident0 Ų017 Ų170%011%0.107CC..Hα-helixtrans-61.2-45.2175.5-63.70000111.9K46 A50 I128 G587 T588 Y589 L593 N594 T595K46-T591 HydrophobicContact CD-CG2 4.14Å; K46-T591 HydrophobicContact CG-CG2 4.03Å; A50-T591 HydrophobicContact CB-CG2 3.45Å; A50-T591 VanDerWaalsContact CB-CG2 3.45Å; I128-T591 HydrophobicContact CD1-CG2 4.44Å; I128-T591 HydrophobicContact CG1-CG2 3.81Å; I128-T591 HydrophobicContact CG2-CG2 4.36Å; G587-T591 VanDerWaalsContact O-CB 3.27Å; G587-T591 WeakPolarHBondContact O-CB 3.27Å; G587-T591 PolarHBondContact O-N 2.98Å; G587-T591 PolarHBondContact O-OG1 2.84Å; T588-T591 PolarHBondContact O-N 3.31Å; Y589-T591 PolarHBondContact O-N 2.95Å; T591-L593 PolarHBondContact O-N 2.92Å; T591-N594 PolarHBondContact O-N 3.38Å; T591-T595 VanDerWaalsContact O-CB 3.24Å; T591-T595 WeakPolarHBondContact O-CB 3.44Å; T591-T595 PolarHBondContact O-N 3.09Å; T591-T595 PolarHBondContact O-OG1 3.43Å
592L88.1Confident83.2Confident5 Ų517.1 Ų17.13%0.02611%0.107CC..Hα-helixtrans-55.1-51.4176.117266.4000110.8M405 V408 I409 T588 Y589 T595 V596M405-L592 HydrophobicContact CG-CD1 4.3Å; M405-L592 HydrophobicContact CG-CD2 4.4Å; V408-L592 HydrophobicContact CB-CD2 4.13Å; V408-L592 HydrophobicContact CG1-CD2 3.64Å; I409-L592 HydrophobicContact CD1-CD1 3.74Å; I409-L592 HydrophobicContact CG1-CD1 3.74Å; I409-L592 HydrophobicContact CG1-CD2 3.81Å; I409-L592 HydrophobicContact CG1-CG 4.4Å; T588-L592 WeakPolarHBondContact O-CB 3.28Å; T588-L592 PolarHBondContact O-N 3.09Å; Y589-L592 WeakPolarHBondContact O-CB 3.28Å; Y589-L592 PolarHBondContact O-N 2.8Å; Y589-L592 VanDerWaalsContact O-N 3.09Å; L592-T595 PolarHBondContact O-N 3.24Å; L592-V596 HydrophobicContact CD1-CG2 4.27Å; L592-V596 WeakPolarHBondContact O-CG2 3.27Å; L592-V596 PolarHBondContact O-N 3.3Å
593L89.5Confident84Confident1 Ų120.5 Ų20.51%0.00513%0.125CC..Hα-helixtrans-65.9-42.6-178.7-63.8176.7000112.7F417 H577 I580 Y589 M590 T591 T595 V596 S597F417-L593 HydrophobicContact CD1-CD2 4.08Å; F417-L593 HydrophobicContact CE1-CD2 4.05Å; H577-L593 HydrophobicContact CB-CB 4.26Å; H577-L593 HydrophobicContact CB-CD1 3.75Å; H577-L593 PolarHBondContact CE1-O 3.39Å; I580-L593 HydrophobicContact CD1-CD1 3.58Å; I580-L593 HydrophobicContact CD1-CD2 4.15Å; I580-L593 HydrophobicContact CG1-CD1 3.63Å; Y589-L593 HydrophobicContact CD1-CD1 3.73Å; Y589-L593 HydrophobicContact CD1-CG 3.83Å; Y589-L593 HydrophobicContact CE1-CD1 3.64Å; Y589-L593 HydrophobicContact CE1-CD2 4Å; Y589-L593 HydrophobicContact CE1-CG 3.76Å; Y589-L593 PolarHBondContact O-N 2.85Å; M590-L593 PolarHBondContact O-N 2.6Å; T591-L593 PolarHBondContact O-N 2.92Å; L593-T595 VanDerWaalsContact C-N 3.34Å; L593-V596 PolarHBondContact O-N 2.85Å; L593-S597 WeakPolarHBondContact O-CB 3.48Å; L593-S597 PolarHBondContact O-N 3.03Å
594N88.3Confident85.1Confident15 Ų1517.9 Ų17.98%0.0811%0.108CC..Hα-helixtrans-62.6-43.1175.8-74.5-9.2000110.8D131 H577 M590 T591 S597 N598D131-N594 PolarHBondContact OD2-ND2 3.16Å; H577-N594 PolarHBondContact ND1-OD1 2.93Å; M590-N594 WeakPolarHBondContact O-CB 3.19Å; M590-N594 VanDerWaalsContact O-CG 3.28Å; M590-N594 PolarHBondContact O-N 3.33Å; T591-N594 PolarHBondContact O-N 3.38Å; N594-S597 WeakPolarHBondContact O-CB 3.21Å; N594-S597 PolarHBondContact O-N 3.01Å; N594-N598 WeakPolarHBondContact O-CB 3.42Å; N594-N598 PolarHBondContact O-N 3.18Å; N594-N598 PolarHBondContact O-ND2 3.49Å; N594-N598 PolarHBondContact O-OD1 2.93Å
595T89.6Confident86.2Confident0 Ų017.5 Ų17.50%010%0.103CC..Hα-helixtrans-61.7-47.9177.9-53.30000111S44 K46 L47 T591 L592 L593 S597 N598 I599S44-T595 VanDerWaalsContact C-CG2 3.44Å; S44-T595 WeakPolarHBondContact O-CG2 3.48Å; K46-T595 WeakPolarHBondContact CE-OG1 3.47Å; K46-T595 HydrophobicContact CG-CG2 4.1Å; K46-T595 WeakPolarHBondContact CG-OG1 3.23Å; L47-T595 HydrophobicContact CB-CG2 3.88Å; L47-T595 HydrophobicContact CD2-CG2 3.81Å; L47-T595 HydrophobicContact CG-CG2 4.17Å; T591-T595 VanDerWaalsContact O-CB 3.24Å; T591-T595 WeakPolarHBondContact O-CB 3.44Å; T591-T595 PolarHBondContact O-N 3.09Å; T591-T595 PolarHBondContact O-OG1 3.43Å; L592-T595 PolarHBondContact O-N 3.24Å; L593-T595 VanDerWaalsContact C-N 3.34Å; T595-S597 VanDerWaalsContact C-N 3.33Å; T595-S597 PolarHBondContact O-N 3.19Å; T595-N598 WeakPolarHBondContact O-CB 3.49Å; T595-N598 PolarHBondContact O-N 3.32Å; T595-N598 VanDerWaalsContact O-N 3.12Å; T595-I599 HydrophobicContact CG2-CD1 4.27Å; T595-I599 WeakPolarHBondContact O-CG1 3.14Å; T595-I599 PolarHBondContact O-N 3.25Å
596V86.3Confident86.9Confident21 Ų2118.2 Ų18.213%0.12711%0.107CC..Hα-helixtrans-67.4-36.5179.4-175.90000111.7L418 L592 L593 N598 I599 A600L418-V596 HydrophobicContact CB-CG1 4.22Å; L418-V596 HydrophobicContact CD1-CG1 3.91Å; L418-V596 HydrophobicContact CD1-CG2 4.24Å; L418-V596 HydrophobicContact CD2-CB 3.63Å; L418-V596 HydrophobicContact CD2-CG1 3.28Å; L418-V596 HydrophobicContact CD2-CG2 4.05Å; L418-V596 HydrophobicContact CG-CG1 3.92Å; L592-V596 HydrophobicContact CD1-CG2 4.27Å; L592-V596 WeakPolarHBondContact O-CG2 3.27Å; L592-V596 PolarHBondContact O-N 3.3Å; L593-V596 PolarHBondContact O-N 2.85Å; V596-N598 VanDerWaalsContact C-N 3.28Å; V596-N598 PolarHBondContact O-N 2.91Å; V596-I599 PolarHBondContact O-N 2.96Å; V596-A600 VanDerWaalsContact O-CB 3.28Å; V596-A600 WeakPolarHBondContact O-CB 3.35Å; V596-A600 PolarHBondContact O-N 3.34Å
597S89.8Confident87.6Confident10 Ų1020.1 Ų20.17%0.0712%0.123CC..Hα-helixtrans-59-40.5170.7169.70000112.2Q573 L593 N594 T595 A600 G601Q573-S597 PolarHBondContact NE2-OG 3.2Å; L593-S597 WeakPolarHBondContact O-CB 3.48Å; L593-S597 PolarHBondContact O-N 3.03Å; N594-S597 WeakPolarHBondContact O-CB 3.21Å; N594-S597 PolarHBondContact O-N 3.01Å; T595-S597 VanDerWaalsContact C-N 3.33Å; T595-S597 PolarHBondContact O-N 3.19Å; S597-A600 PolarHBondContact O-N 3.42Å; S597-G601 PolarHBondContact O-N 3.26Å; S597-G601 VanDerWaalsContact O-N 3.12Å
598N89.2Confident88.1Confident55 Ų5521.8 Ų21.829%0.29413%0.13SC..Hα-helixtrans-66.8-45.1177.6-69-18.3000111F43 S44 N594 T595 V596 A600 G601 S602F43-N598 PolarHBondContact O-ND2 3.38Å; S44-N598 PolarHBondContact OG-O 3.33Å; N594-N598 WeakPolarHBondContact O-CB 3.42Å; N594-N598 PolarHBondContact O-N 3.18Å; N594-N598 PolarHBondContact O-ND2 3.49Å; N594-N598 PolarHBondContact O-OD1 2.93Å; T595-N598 WeakPolarHBondContact O-CB 3.49Å; T595-N598 PolarHBondContact O-N 3.32Å; T595-N598 VanDerWaalsContact O-N 3.12Å; V596-N598 VanDerWaalsContact C-N 3.28Å; V596-N598 PolarHBondContact O-N 2.91Å; N598-A600 VanDerWaalsContact C-N 3.32Å; N598-A600 PolarHBondContact O-N 3.04Å; N598-G601 PolarHBondContact O-N 3.06Å; N598-G601 VanDerWaalsContact O-N 3.14Å; N598-S602 WeakPolarHBondContact O-CB 3.36Å; N598-S602 PolarHBondContact O-N 2.96Å; N598-S602 PolarHBondContact O-OG 3.41Å; N598-S602 VanDerWaalsContact O-OG 3.12Å
599I90.1Very high88.2Confident47 Ų4722.6 Ų22.624%0.24113%0.134CC..Hα-helixtrans-55.5-48.8172.8-65.8165.4000110.5S44 L47 T595 V596 G601 S602 L603S44-I599 WeakPolarHBondContact O-CD1 3.2Å; S44-I599 WeakPolarHBondContact O-CG1 3.37Å; S44-I599 PolarHBondContact OG-N 2.95Å; L47-I599 HydrophobicContact CD2-CD1 4.18Å; T595-I599 HydrophobicContact CG2-CD1 4.27Å; T595-I599 WeakPolarHBondContact O-CG1 3.14Å; T595-I599 PolarHBondContact O-N 3.25Å; V596-I599 PolarHBondContact O-N 2.96Å; I599-G601 PolarHBondContact O-N 3.03Å; I599-S602 PolarHBondContact O-N 3.43Å; I599-L603 VanDerWaalsContact O-CB 3.27Å; I599-L603 WeakPolarHBondContact O-CB 3.47Å; I599-L603 PolarHBondContact O-N 2.91Å
600A89.6Confident88.3Confident2 Ų225.4 Ų25.42%0.01716%0.155CC..Hα-helixtrans-58.9-30.6-179.400000112.6K425 V596 S597 N598 P604K425-A600 WeakPolarHBondContact CB-O 3.25Å; K425-A600 HydrophobicContact CG-CB 4.19Å; V596-A600 VanDerWaalsContact O-CB 3.28Å; V596-A600 WeakPolarHBondContact O-CB 3.35Å; V596-A600 PolarHBondContact O-N 3.34Å; S597-A600 PolarHBondContact O-N 3.42Å; N598-A600 VanDerWaalsContact C-N 3.32Å; N598-A600 PolarHBondContact O-N 3.04Å; A600-P604 WeakPolarHBondContact O-CD 3.23Å; A600-P604 VanDerWaalsContact O-CG 3.25Å; A600-P604 WeakPolarHBondContact O-CG 3.48Å
601G87.1Confident88.5Confident18 Ų1828.8 Ų28.819%0.18617%0.173CC..Hα-helixtrans-85.4-45.4173.900000113.8S597 N598 I599 S605S597-G601 PolarHBondContact O-N 3.26Å; S597-G601 VanDerWaalsContact O-N 3.12Å; N598-G601 PolarHBondContact O-N 3.06Å; N598-G601 VanDerWaalsContact O-N 3.14Å; I599-G601 PolarHBondContact O-N 3.03Å; G601-S605 VanDerWaalsContact O-CB 3.31Å; G601-S605 WeakPolarHBondContact O-CB 3.06Å; G601-S605 PolarHBondContact O-N 3.11Å; G601-S605 PolarHBondContact O-OG 3.23Å
602S85.4Confident88.6Confident16 Ų1628.9 Ų28.911%0.11217%0.173CC..Hα-helixtrans-72.9-41.1-172.466.60000112.5S44 N598 I599 S605 T606S44-S602 PolarHBondContact OG-OG 3.43Å; N598-S602 WeakPolarHBondContact O-CB 3.36Å; N598-S602 PolarHBondContact O-N 2.96Å; N598-S602 PolarHBondContact O-OG 3.41Å; N598-S602 VanDerWaalsContact O-OG 3.12Å; I599-S602 PolarHBondContact O-N 3.43Å; S602-S605 PolarHBondContact O-N 2.79Å; S602-T606 PolarHBondContact O-N 3.35Å; S602-T606 PolarHBondContact O-OG1 3.35Å
603L88.2Confident88.5Confident102 Ų10229.3 Ų29.353%0.53418%0.175SC..Hα-helixtrans-63.6-51-175.7178.972.4000112.2I599 S605 A607I599-L603 VanDerWaalsContact O-CB 3.27Å; I599-L603 WeakPolarHBondContact O-CB 3.47Å; I599-L603 PolarHBondContact O-N 2.91Å; L603-S605 VanDerWaalsContact C-N 3.33Å; L603-S605 PolarHBondContact O-N 2.84Å; L603-A607 WeakPolarHBondContact O-CB 3.34Å; L603-A607 PolarHBondContact O-N 2.87Å
604P90.2Very high88.5Confident13 Ų1333.8 Ų33.88%0.08420%0.204CC..Hα-helixtrans-63.1-39.6175-2336.1000112.3V426 A429 A600 T606 A607 F608V426-P604 HydrophobicContact CG2-CB 3.98Å; V426-P604 HydrophobicContact CG2-CG 3.54Å; A429-P604 HydrophobicContact CB-CB 3.71Å; A600-P604 WeakPolarHBondContact O-CD 3.23Å; A600-P604 VanDerWaalsContact O-CG 3.25Å; A600-P604 WeakPolarHBondContact O-CG 3.48Å; P604-T606 PolarHBondContact O-N 3.41Å; P604-A607 PolarHBondContact O-N 3.05Å; P604-A607 VanDerWaalsContact O-N 3.16Å; P604-F608 HydrophobicContact CB-CD2 4.27Å; P604-F608 HydrophobicContact CB-CE2 4.2Å; P604-F608 WeakPolarHBondContact O-CD2 3.26Å; P604-F608 PolarHBondContact O-N 3.12Å
605S89.3Confident88.6Confident27 Ų2736.3 Ų36.319%0.18922%0.217CC..Hα-helixtrans-57.9-48179.9-64.80000112.6T433 G601 S602 L603 L609T433-S605 VanDerWaalsContact CG2-CB 3.44Å; T433-S605 WeakPolarHBondContact CG2-OG 3.34Å; G601-S605 VanDerWaalsContact O-CB 3.31Å; G601-S605 WeakPolarHBondContact O-CB 3.06Å; G601-S605 PolarHBondContact O-N 3.11Å; G601-S605 PolarHBondContact O-OG 3.23Å; S602-S605 PolarHBondContact O-N 2.79Å; L603-S605 VanDerWaalsContact C-N 3.33Å; L603-S605 PolarHBondContact O-N 2.84Å; S605-L609 WeakPolarHBondContact O-CB 3.13Å; S605-L609 WeakPolarHBondContact O-CG 3.35Å; S605-L609 PolarHBondContact O-N 3.17Å; S605-L609 VanDerWaalsContact O-N 3.12Å
606T86.9Confident88.7Confident27 Ų2736.4 Ų36.417%0.16622%0.218CC..Hα-helixtrans-66.7-38.3175.8-59.60000111.4S37 W41 S602 P604 S610S37-T606 PolarHBondContact OG-OG1 3.32Å; W41-T606 HydrophobicContact CZ2-CG2 4.46Å; S602-T606 PolarHBondContact O-N 3.35Å; S602-T606 PolarHBondContact O-OG1 3.35Å; P604-T606 PolarHBondContact O-N 3.41Å; T606-S610 PolarHBondContact O-N 3.17Å; T606-S610 PolarHBondContact O-OG 2.89Å
607A88.5Confident89Confident41 Ų4141.9 Ų41.934%0.33924%0.24SC..Hα-helixtrans-62.8-52.1178.100000111.6L603 P604 L609 S610 L611L603-A607 WeakPolarHBondContact O-CB 3.34Å; L603-A607 PolarHBondContact O-N 2.87Å; P604-A607 PolarHBondContact O-N 3.05Å; P604-A607 VanDerWaalsContact O-N 3.16Å; A607-L609 PolarHBondContact O-N 2.84Å; A607-S610 PolarHBondContact O-N 3.16Å; A607-S610 VanDerWaalsContact O-N 3.09Å; A607-S610 PolarHBondContact O-OG 3.3Å; A607-L611 WeakPolarHBondContact O-CG 3.23Å; A607-L611 PolarHBondContact O-N 3.15Å
608F90.5Very high89Confident36 Ų3643.3 Ų43.316%0.15824%0.244CC..Hα-helixtrans-60.1-44.5177.8-75.5-66.6000112.2A429 A430 P604 S610 L611 I612 E695A429-F608 HydrophobicContact CB-CD2 3.86Å; A429-F608 HydrophobicContact CB-CE2 4.08Å; A430-F608 HydrophobicContact CB-CB 4.17Å; A430-F608 HydrophobicContact CB-CD1 3.73Å; A430-F608 HydrophobicContact CB-CD2 3.99Å; A430-F608 HydrophobicContact CB-CE1 4.03Å; A430-F608 HydrophobicContact CB-CE2 4.3Å; A430-F608 HydrophobicContact CB-CG 3.71Å; A430-F608 HydrophobicContact CB-CZ 4.32Å; P604-F608 HydrophobicContact CB-CD2 4.27Å; P604-F608 HydrophobicContact CB-CE2 4.2Å; P604-F608 WeakPolarHBondContact O-CD2 3.26Å; P604-F608 PolarHBondContact O-N 3.12Å; F608-S610 PolarHBondContact O-N 2.65Å; F608-L611 PolarHBondContact O-N 3.3Å; F608-L611 VanDerWaalsContact O-N 3.11Å; F608-I612 PolarHBondContact O-N 3.47Å; F608-E695 WeakPolarHBondContact CB-OE2 3.35Å; F608-E695 HydrophobicContact CD1-CB 4.05Å; F608-E695 HydrophobicContact CD1-CG 4.04Å; F608-E695 WeakPolarHBondContact CD1-OE2 3.25Å; F608-E695 HydrophobicContact CE1-CB 4.38Å
609L86.9Confident88.9Confident22 Ų2241.9 Ų41.912%0.11524%0.239CC..Hα-helixtrans-59.3-32.1175.1-76171.4000113.7I434 L437 S605 A607 I612I434-L609 HydrophobicContact CG1-CD2 4.11Å; L437-L609 HydrophobicContact CD1-CD2 3.64Å; S605-L609 WeakPolarHBondContact O-CB 3.13Å; S605-L609 WeakPolarHBondContact O-CG 3.35Å; S605-L609 PolarHBondContact O-N 3.17Å; S605-L609 VanDerWaalsContact O-N 3.12Å; A607-L609 PolarHBondContact O-N 2.84Å; L609-I612 VanDerWaalsContact O-CG2 3.28Å; L609-I612 WeakPolarHBondContact O-CG2 3.46Å
610S86.4Confident88.8Confident65 Ų6540.1 Ų40.146%0.45523%0.231SC..Hα-helixtrans-83.4-23.2177.763.60000113.7T606 A607 F608 P614T606-S610 PolarHBondContact O-N 3.17Å; T606-S610 PolarHBondContact O-OG 2.89Å; A607-S610 PolarHBondContact O-N 3.16Å; A607-S610 VanDerWaalsContact O-N 3.09Å; A607-S610 PolarHBondContact O-OG 3.3Å; F608-S610 PolarHBondContact O-N 2.65Å; S610-P614 VanDerWaalsContact O-CD 3.22Å; S610-P614 WeakPolarHBondContact O-CD 3.27Å
611L89.8Confident88.6Confident82 Ų8244.1 Ų44.143%0.42925%0.251SS..Hα-helixtrans-81.7-17177.9-71.4171.3000113.7A607 F608 E613 P614 L615 E695A607-L611 WeakPolarHBondContact O-CG 3.23Å; A607-L611 PolarHBondContact O-N 3.15Å; F608-L611 PolarHBondContact O-N 3.3Å; F608-L611 VanDerWaalsContact O-N 3.11Å; L611-E613 PolarHBondContact O-N 2.99Å; L611-P614 VanDerWaalsContact O-CD 3.3Å; L611-P614 WeakPolarHBondContact O-CD 3.24Å; L611-L615 HydrophobicContact CB-CD1 4.19Å; L611-L615 WeakPolarHBondContact O-CB 3.44Å; L611-L615 VanDerWaalsContact O-CG 3.31Å; L611-L615 WeakPolarHBondContact O-CG 3.32Å; L611-L615 PolarHBondContact O-N 3.34Å; L611-E695 WeakPolarHBondContact CB-OE1 3.44Å
612I90.1Very high88.4Confident2 Ų244.3 Ų44.31%0.0125%0.248CC..Hα-helixtrans-60.2-44.8-175.6-157.8174.1000113Y30 I434 F608 L609 L615 T616 F692 E695Y30-I612 HydrophobicContact CD1-CG2 4.17Å; Y30-I612 HydrophobicContact CD2-CG2 4.22Å; Y30-I612 HydrophobicContact CE1-CD1 4.15Å; Y30-I612 HydrophobicContact CG-CG2 3.97Å; I434-I612 HydrophobicContact CD1-CD1 4.22Å; I434-I612 HydrophobicContact CG1-CD1 4.44Å; I434-I612 HydrophobicContact CG2-CD1 3.6Å; F608-I612 PolarHBondContact O-N 3.47Å; L609-I612 VanDerWaalsContact O-CG2 3.28Å; L609-I612 WeakPolarHBondContact O-CG2 3.46Å; I612-L615 PolarHBondContact O-N 2.99Å; I612-T616 WeakPolarHBondContact O-CB 3.48Å; I612-T616 PolarHBondContact O-N 3.31Å; I612-T616 PolarHBondContact O-OG1 3.49Å; I612-F692 HydrophobicContact CD1-CB 4.44Å; I612-E695 WeakPolarHBondContact CA-OE1 3.5Å; I612-E695 PolarHBondContact N-OE1 3.25Å
613E86.9Confident87.9Confident14 Ų1449.6 Ų49.67%0.06527%0.269CS..Hα-helixtrans-76.5-38.6-175.5-168.967.4-149.600112.6L611 L615 T616 R618 K670L611-E613 PolarHBondContact O-N 2.99Å; E613-L615 VanDerWaalsContact C-N 3.29Å; E613-L615 PolarHBondContact O-N 2.99Å; E613-T616 PolarHBondContact O-N 2.72Å; E613-R618 IonicContact OE1-CZ 2.67Å; E613-R618 IonicContact OE1-NH1 3.43Å; E613-R618 PolarHBondContact OE1-NH1 2.84Å; E613-R618 VanDerWaalsContact OE1-NH1 3.08Å; E613-R618 IonicContact OE2-CZ 3.76Å; E613-R618 IonicContact OE2-NH1 2.63Å; E613-R618 PolarHBondContact OE2-NH1 3.24Å; E613-R618 IonicContact OE2-NH2 2.82Å; E613-R618 PolarHBondContact OE2-NH2 2.94Å; E613-K670 VanDerWaalsContact OE1-CB 3.26Å; E613-K670 WeakPolarHBondContact OE1-CB 3.36Å; E613-K670 WeakPolarHBondContact OE1-CD 3.27Å; E613-K670 WeakPolarHBondContact OE1-CG 3.18Å
614P88.9Confident86.7Confident94 Ų9451.1 Ų51.161%0.6127%0.273SS*.Hα-helixtrans-57.7-37.1166.4-27.734.4000114.2S610 L611S610-P614 VanDerWaalsContact O-CD 3.22Å; S610-P614 WeakPolarHBondContact O-CD 3.27Å; L611-P614 VanDerWaalsContact O-CD 3.3Å; L611-P614 WeakPolarHBondContact O-CD 3.24Å
615L91.7Very high85.1Confident69 Ų6958.2 Ų58.236%0.36130%0.303SS..Hα-helixtrans-85-17.7-178.4-68.7172.8000113.7L611 I612 E613 E695L611-L615 HydrophobicContact CB-CD1 4.19Å; L611-L615 WeakPolarHBondContact O-CB 3.44Å; L611-L615 VanDerWaalsContact O-CG 3.31Å; L611-L615 WeakPolarHBondContact O-CG 3.32Å; L611-L615 PolarHBondContact O-N 3.34Å; I612-L615 PolarHBondContact O-N 2.99Å; E613-L615 VanDerWaalsContact C-N 3.29Å; E613-L615 PolarHBondContact O-N 2.99Å; L615-E695 HydrophobicContact CD1-CG 3.75Å
616T91.7Very high83.1Confident2 Ų259.2 Ų59.21%0.01231%0.306CS..  trans-88.6124.7-179.8-60.50000111.3I612 E613 R618 L689 G691I612-T616 WeakPolarHBondContact O-CB 3.48Å; I612-T616 PolarHBondContact O-N 3.31Å; I612-T616 PolarHBondContact O-OG1 3.49Å; E613-T616 PolarHBondContact O-N 2.72Å; T616-R618 HydrophobicContact CG2-CG 3.86Å; T616-L689 CarbonylContact C-O 3.49Å; T616-L689 WeakPolarHBondContact CA-O 3.05Å; T616-L689 WeakPolarHBondContact CG2-O 3.2Å; T616-G691 PolarHBondContact OG1-N 2.98Å
617K91.1Very high81.3Confident136 Ų13662.1 Ų62.159%0.59132%0.318SS*.EExtended strand (participates in β ladder)trans-104.4121.3172.3-61.1-177.7178.8178.90109.8Q688 L689K617-Q688 PolarHBondContact O-N 2.68Å; K617-L689 HydrophobicContact CB-CB 4.07Å; K617-L689 HydrophobicContact CD-CD2 4.3Å; K617-L689 HydrophobicContact CG-CB 4.39Å; K617-L689 HydrophobicContact CG-CD2 4.48Å; K617-L689 PolarHBondContact N-O 2.96Å; K617-L689 PolarHBondContact O-N 3.19Å
618R89.7Confident79.1Confident40 Ų4064.4 Ų64.415%0.15133%0.328CS..EExtended strand (participates in β ladder)trans-118.8147178.7-57.9-173.7175.3126.14.8110.2E613 T616 C669 I686 T687E613-R618 IonicContact OE1-CZ 2.67Å; E613-R618 IonicContact OE1-NH1 3.43Å; E613-R618 PolarHBondContact OE1-NH1 2.84Å; E613-R618 VanDerWaalsContact OE1-NH1 3.08Å; E613-R618 IonicContact OE2-CZ 3.76Å; E613-R618 IonicContact OE2-NH1 2.63Å; E613-R618 PolarHBondContact OE2-NH1 3.24Å; E613-R618 IonicContact OE2-NH2 2.82Å; E613-R618 PolarHBondContact OE2-NH2 2.94Å; T616-R618 HydrophobicContact CG2-CG 3.86Å; R618-C669 HydrophobicContact CB-CB 3.74Å; R618-C669 WeakPolarHBondContact CD-O 3.16Å; R618-C669 PolarHBondContact NH1-O 3.05Å; R618-I686 WeakPolarHBondContact CA-O 3.47Å; R618-T687 HydrophobicContact CG-CG2 4Å
619A88.3Confident77Confident24 Ų2466.1 Ų66.120%0.19834%0.338CS..EExtended strand (participates in β ladder)trans-132.3144.1176.500000110.3I686 Q688A619-I686 HydrophobicContact CB-CG1 4.42Å; A619-I686 PolarHBondContact N-O 3.09Å; A619-I686 WeakPolarHBondContact O-CG1 3.39Å; A619-I686 PolarHBondContact O-N 3.34Å; A619-Q688 HydrophobicContact CB-CG 4.15Å
620C88Confident75.1Confident10 Ų1067.6 Ų67.67%0.06835%0.345CS..EExtended strand (participates in β ladder)trans-89.3117.1172.1-177.20000109.1I662 A667 C678C620-I662 HydrophobicContact CB-CG1 4.45Å; C620-I662 HydrophobicContact CB-CG2 4.49Å; C620-I662 WeakPolarHBondContact O-CD1 3.43Å; C620-A667 HydrophobicContact CB-CB 4.21Å; C620-C678 HydrophobicContact CB-CB 3.89Å; C620-C678 WeakPolarHBondContact CB-SG 3.41Å; C620-C678 VanDerWaalsContact SG-CA 3.55Å; C620-C678 WeakPolarHBondContact SG-CB 3.33Å; C620-C678 CovalentContact SG-SG 2.04Å; C620-C678 PolarHBondContact SG-SG 3.13Å
621I85.2Confident73.2Confident86 Ų8670.3 Ų70.344%0.44135%0.351SS..EExtended strand (participates in β ladder)trans-101.5118.4172.4-64.2177.9000108.7G683 T684 I686I621-G683 CarbonylContact O-C 3.49Å; I621-G683 VanDerWaalsContact O-CA 3.27Å; I621-G683 WeakPolarHBondContact O-CA 3.46Å; I621-T684 PolarHBondContact N-O 3.44Å; I621-T684 PolarHBondContact O-N 3.47Å; I621-T684 PolarHBondContact O-OG1 3.25Å; I621-I686 HydrophobicContact CD1-CD1 3.26Å; I621-I686 HydrophobicContact CD1-CG1 3.61Å; I621-I686 HydrophobicContact CD1-CG2 4.23Å; I621-I686 HydrophobicContact CG1-CD1 4.03Å; I621-I686 HydrophobicContact CG1-CG1 3.92Å
622L83.5Confident71.3Confident22 Ų2268.8 Ų68.812%0.11535%0.347CS..EExtended strand (participates in β ladder)trans-66.2129.8172.7-60.2176.1000110.1E624 K658 L661 I681L622-E624 PolarHBondContact O-N 2.91Å; L622-K658 HydrophobicContact CD1-CB 4.05Å; L622-K658 HydrophobicContact CD1-CD 4.5Å; L622-K658 HydrophobicContact CD1-CG 4.04Å; L622-L661 HydrophobicContact CD1-CD2 4.05Å; L622-I681 HydrophobicContact CD2-CB 4.1Å; L622-I681 HydrophobicContact CD2-CD1 3.71Å; L622-I681 HydrophobicContact CD2-CG1 3.62Å; L622-I681 VanDerWaalsContact CD2-O 3.28Å; L622-I681 WeakPolarHBondContact CD2-O 3.13Å
623K74.5Confident69.3Low128 Ų12873 Ų7356%0.55737%0.369SS*.PPolyproline II helixtrans-64.6126.8170.6-65.3-179.6-177.5-177.60108.3F625 H682 T684K623-F625 PolarHBondContact O-N 3.16Å; K623-H682 WeakPolarHBondContact CB-O 3.48Å; K623-H682 WeakPolarHBondContact CG-O 3.3Å; K623-H682 PolarHBondContact N-O 3.4Å; K623-T684 HydrophobicContact CD-CG2 4.3Å; K623-T684 HydrophobicContact CG-CG2 4.13Å
624E63.5Low67.4Low134 Ų13478.4 Ų78.463%0.62639%0.394SS*.THydrogen-bonded Turntrans-65.7-7.8-176.1-67.5-174.6153.600114.3L622 N626 Q627 K658L622-E624 PolarHBondContact O-N 2.91Å; E624-N626 PolarHBondContact O-N 3.23Å; E624-Q627 PolarHBondContact O-N 2.58Å; E624-K658 IonicContact OE1-NZ 3.97Å
625F55.4Low65.4Low161 Ų16176.9 Ų76.971%0.70639%0.385SS*.Hα-helixtrans-58.8-11-178.3-146.1-94.8000114.7K623 T628K623-F625 PolarHBondContact O-N 3.16Å; F625-T628 PolarHBondContact O-OG1 3.11Å
626N48.3Very low63.2Low49 Ų4978 Ų7826%0.26239%0.392SS..Hα-helixtrans-99.4-8.1175.5-76.3-8000114.9E624 T628 I629 I630 H682E624-N626 PolarHBondContact O-N 3.23Å; N626-T628 VanDerWaalsContact C-N 3.32Å; N626-I629 PolarHBondContact O-N 2.72Å; N626-I630 HydrophobicContact CB-CD1 4.13Å; N626-I630 HydrophobicContact CB-CG1 4.44Å; N626-I630 VanDerWaalsContact O-CB 3.22Å; N626-I630 WeakPolarHBondContact O-CB 3.49Å; N626-I630 WeakPolarHBondContact O-CG1 3.19Å; N626-I630 PolarHBondContact O-N 3.17Å; N626-H682 PolarHBondContact ND2-CD2 3.24Å; N626-H682 VanDerWaalsContact ND2-CD2 3.33Å
627Q48.3Very low61.1Low88 Ų8882.2 Ų82.241%0.41141%0.414SS..Hα-helixtrans-65.3-40.2173.4-84.2-177.4-27.600110.9E624 Q631E624-Q627 PolarHBondContact O-N 2.58Å; Q627-Q631 WeakPolarHBondContact O-CB 3.42Å; Q627-Q631 VanDerWaalsContact O-CD 3.31Å; Q627-Q631 WeakPolarHBondContact O-CG 3.3Å; Q627-Q631 PolarHBondContact O-N 2.81Å; Q627-Q631 PolarHBondContact O-OE1 3.49Å
628T42.1Very low58.9Low88 Ų8878.6 Ų78.654%0.5441%0.406SS..Hα-helixtrans-69.9-37.4177.3500000112.7F625 N626 S632F625-T628 PolarHBondContact O-OG1 3.11Å; N626-T628 VanDerWaalsContact C-N 3.32Å; T628-S632 WeakPolarHBondContact O-CB 3.49Å; T628-S632 PolarHBondContact O-N 3.31Å; T628-S632 PolarHBondContact O-OG 3.2Å
629I47.2Very low56.8Low72 Ų7282.9 Ų82.937%0.36943%0.431SS..Hα-helixtrans-75.6-41178.5-62.8178.6000111.8N626 Q631 S632 I633N626-I629 PolarHBondContact O-N 2.72Å; I629-Q631 VanDerWaalsContact C-N 3.3Å; I629-Q631 PolarHBondContact O-N 2.85Å; I629-S632 VanDerWaalsContact CA-OG 3.3Å; I629-S632 WeakPolarHBondContact CA-OG 3.34Å; I629-S632 PolarHBondContact O-N 3.47Å; I629-S632 PolarHBondContact O-OG 3.36Å; I629-I633 HydrophobicContact CG2-CD1 3.68Å; I629-I633 HydrophobicContact CG2-CG1 4.18Å; I629-I633 WeakPolarHBondContact O-CB 3.18Å; I629-I633 WeakPolarHBondContact O-CG1 2.93Å; I629-I633 PolarHBondContact O-N 2.87Å
630I46.7Very low54.6Low53 Ų5387.8 Ų87.827%0.27245%0.453SS..Hα-helixtrans-67.7-34.7175.7-65.2171000110.4N626 H634 F656N626-I630 HydrophobicContact CB-CD1 4.13Å; N626-I630 HydrophobicContact CB-CG1 4.44Å; N626-I630 VanDerWaalsContact O-CB 3.22Å; N626-I630 WeakPolarHBondContact O-CB 3.49Å; N626-I630 WeakPolarHBondContact O-CG1 3.19Å; N626-I630 PolarHBondContact O-N 3.17Å; I630-H634 PolarHBondContact O-N 2.98Å; I630-H634 VanDerWaalsContact O-N 3.17Å; I630-H634 PolarHBondContact O-ND1 3.2Å; I630-F656 HydrophobicContact CD1-CE2 3.76Å; I630-F656 HydrophobicContact CD1-CZ 3.79Å; I630-F656 HydrophobicContact CG2-CE2 4.42Å
631Q46.8Very low52.4Low122 Ų12293.4 Ų93.457%0.5748%0.483SS*.Hα-helixtrans-64-46.4168.5-76.2169.1-8.900111Q627 I629 I633 H634 S635Q627-Q631 WeakPolarHBondContact O-CB 3.42Å; Q627-Q631 VanDerWaalsContact O-CD 3.31Å; Q627-Q631 WeakPolarHBondContact O-CG 3.3Å; Q627-Q631 PolarHBondContact O-N 2.81Å; Q627-Q631 PolarHBondContact O-OE1 3.49Å; I629-Q631 VanDerWaalsContact C-N 3.3Å; I629-Q631 PolarHBondContact O-N 2.85Å; Q631-I633 PolarHBondContact O-N 3.4Å; Q631-H634 PolarHBondContact O-N 3.34Å; Q631-S635 WeakPolarHBondContact O-CB 3.46Å; Q631-S635 PolarHBondContact O-N 2.82Å; Q631-S635 PolarHBondContact O-OG 2.96Å
632S48.5Very low50.5Low51 Ų5195.9 Ų95.936%0.35750%0.497SS..Hα-helixtrans-67.2-34.3179.767.80000113.6T628 I629 N636T628-S632 WeakPolarHBondContact O-CB 3.49Å; T628-S632 PolarHBondContact O-N 3.31Å; T628-S632 PolarHBondContact O-OG 3.2Å; I629-S632 VanDerWaalsContact CA-OG 3.3Å; I629-S632 WeakPolarHBondContact CA-OG 3.34Å; I629-S632 PolarHBondContact O-N 3.47Å; I629-S632 PolarHBondContact O-OG 3.36Å; S632-N636 WeakPolarHBondContact O-CB 3.48Å; S632-N636 VanDerWaalsContact O-CG 3.29Å; S632-N636 PolarHBondContact O-N 3.02Å; S632-N636 PolarHBondContact O-ND2 2.86Å
633I50Low48.9Very low89 Ų89100.4 Ų100.446%0.45653%0.526SS..Hα-helixtrans-66.2-43175.6-70.6166.6000110.2I629 Q631 N637I629-I633 HydrophobicContact CG2-CD1 3.68Å; I629-I633 HydrophobicContact CG2-CG1 4.18Å; I629-I633 WeakPolarHBondContact O-CB 3.18Å; I629-I633 WeakPolarHBondContact O-CG1 2.93Å; I629-I633 PolarHBondContact O-N 2.87Å; Q631-I633 PolarHBondContact O-N 3.4Å; I633-N637 PolarHBondContact O-N 2.88Å; I633-N637 VanDerWaalsContact O-N 3.12Å
634H45.2Very low47.6Very low129 Ų129100 Ų10060%0.59753%0.534SS*.Hα-helixtrans-71.9-38177.1-85.2111.2000113I630 Q631 N636 N637 S638I630-H634 PolarHBondContact O-N 2.98Å; I630-H634 VanDerWaalsContact O-N 3.17Å; I630-H634 PolarHBondContact O-ND1 3.2Å; Q631-H634 PolarHBondContact O-N 3.34Å; H634-N636 VanDerWaalsContact C-N 3.35Å; H634-N636 PolarHBondContact O-N 2.66Å; H634-N637 PolarHBondContact O-N 3.49Å; H634-S638 PolarHBondContact O-N 3.1Å
635S48.1Very low46.6Very low62 Ų62100.8 Ų100.843%0.43454%0.542SS..Hα-helixtrans-62.3-41.8174.4-59.10000111.7Q631 S638 L639Q631-S635 WeakPolarHBondContact O-CB 3.46Å; Q631-S635 PolarHBondContact O-N 2.82Å; Q631-S635 PolarHBondContact O-OG 2.96Å; S635-S638 PolarHBondContact O-N 3.42Å; S635-S638 PolarHBondContact O-OG 3.29Å; S635-L639 PolarHBondContact O-N 2.9Å
636N45.7Very low46Very low93 Ų93100.3 Ų100.350%0.49755%0.548SS..Hα-helixtrans-68.5-38178.2-74.3-12.7000112.7S632 H634 S638 L639 L640S632-N636 WeakPolarHBondContact O-CB 3.48Å; S632-N636 VanDerWaalsContact O-CG 3.29Å; S632-N636 PolarHBondContact O-N 3.02Å; S632-N636 PolarHBondContact O-ND2 2.86Å; H634-N636 VanDerWaalsContact C-N 3.35Å; H634-N636 PolarHBondContact O-N 2.66Å; N636-S638 VanDerWaalsContact C-N 3.32Å; N636-S638 PolarHBondContact O-N 2.68Å; N636-L639 PolarHBondContact O-N 2.76Å; N636-L640 WeakPolarHBondContact O-CD1 3.43Å; N636-L640 PolarHBondContact O-N 3.07Å
637N46.1Very low45.7Very low89 Ų89104.8 Ų104.848%0.47657%0.571SS.*Hα-helixtrans-68.2-31174.1-75.5-16.1000112.7I633 H634 L640 N641I633-N637 PolarHBondContact O-N 2.88Å; I633-N637 VanDerWaalsContact O-N 3.12Å; H634-N637 PolarHBondContact O-N 3.49Å; N637-L640 PolarHBondContact O-N 3.3Å; N637-N641 PolarHBondContact O-N 3.3Å; N637-N641 VanDerWaalsContact O-N 3.07Å
638S45.3Very low45.3Very low61 Ų61107.8 Ų107.843%0.42759%0.59SS.*Hα-helixtrans-70.4-31.8172.974.60000113.2H634 S635 N636 N642H634-S638 PolarHBondContact O-N 3.1Å; S635-S638 PolarHBondContact O-N 3.42Å; S635-S638 PolarHBondContact O-OG 3.29Å; N636-S638 VanDerWaalsContact C-N 3.32Å; N636-S638 PolarHBondContact O-N 2.68Å; S638-N642 WeakPolarHBondContact O-CB 3.35Å; S638-N642 PolarHBondContact O-N 3.07Å; S638-N642 PolarHBondContact O-ND2 3.13Å
639L47Very low45.1Very low130 Ų130113.2 Ų113.268%0.68160%0.602SS**Hα-helixtrans-72.3-33.1173.3-83.5154.3000112.1S635 N636S635-L639 PolarHBondContact O-N 2.9Å; N636-L639 PolarHBondContact O-N 2.76Å
640L42Very low44.6Very low126 Ų126116.8 Ų116.866%0.6662%0.622SS**Hα-helixtrans-78.3-28.5178.1-95.7130.2000114.1N636 N637N636-L640 WeakPolarHBondContact O-CD1 3.43Å; N636-L640 PolarHBondContact O-N 3.07Å; N637-L640 PolarHBondContact O-N 3.3Å
641N41.8Very low44.3Very low128 Ų128121.5 Ų121.568%0.68464%0.643SS**Hα-helixtrans-97.7-1.6-178.9-77.2-0.4000114.8N637 T643N637-N641 PolarHBondContact O-N 3.3Å; N637-N641 VanDerWaalsContact O-N 3.07Å; N641-T643 PolarHBondContact O-N 3.38Å
642N43.9Very low43.8Very low138 Ų138120.4 Ų120.474%0.73865%0.648SS**  trans-8111.5175.6-83.4-9.3000114.6S638S638-N642 WeakPolarHBondContact O-CB 3.35Å; S638-N642 PolarHBondContact O-N 3.07Å; S638-N642 PolarHBondContact O-ND2 3.13Å
643T50.2Low43.3Very low118 Ų118129.3 Ų129.372%0.72468%0.676SS**SBendtrans-112.561.2162.843.80000110.9N641N641-T643 PolarHBondContact O-N 3.38Å
644T47.6Very low43.1Very low118 Ų118130.2 Ų130.272%0.72469%0.69SS**SBendtrans-179.4110.9132.443.70000110.2
645N43.2Very low43.2Very low151 Ų151133 Ų13381%0.80770%0.701SS**  trans56.3108.2151.2-61.2-21.3000119.3D647N645-D647 PolarHBondContact O-N 3.11Å
646N42.3Very low43.7Very low152 Ų152134.6 Ų134.681%0.81370%0.7SS**  trans14102.1134.1-68.9-15.2000115.7
647D42Very low44.9Very low142 Ų142133 Ų13376%0.75969%0.692SS**  -156.4143.5128.4-89.8-31.9000109.7N645 Y649N645-D647 PolarHBondContact O-N 3.11Å; D647-Y649 PolarHBondContact O-N 3.19Å
648N39.3Very low46.2Very low151 Ų151132.4 Ų132.481%0.80769%0.685SS**  trans-58.385.9-168.3-65.9-49.6000113.8N650N648-N650 VanDerWaalsContact C-N 3.31Å; N648-N650 PolarHBondContact O-N 2.97Å
649Y38.9Very low47.6Very low202 Ų202136 Ų13679%0.79270%0.695SS**  trans-85.880.7159.6-77-80.3000109.8D647 H651D647-Y649 PolarHBondContact O-N 3.19Å; Y649-H651 PolarHBondContact O-N 2.94Å
650N37.2Very low49.1Very low148 Ų148136.3 Ų136.379%0.79169%0.691SS**  trans-67.659.1150.9-73.7-20.6000109N648 S652N648-N650 VanDerWaalsContact C-N 3.31Å; N648-N650 PolarHBondContact O-N 2.97Å; N650-S652 PolarHBondContact O-N 3.41Å
651H40.4Very low50.8Low152 Ų152132.2 Ų132.270%0.70467%0.669SS**  trans-76.687.8161-115.4-50.6000106Y649 Y653Y649-H651 PolarHBondContact O-N 2.94Å; H651-Y653 PolarHBondContact O-N 2.74Å
652S35.1Very low52.7Low98 Ų98128.2 Ų128.269%0.68565%0.647SS**  trans-20.7111152.5-42.90000108.7N650 S654N650-S652 PolarHBondContact O-N 3.41Å; S652-S654 VanDerWaalsContact C-N 3.25Å; S652-S654 PolarHBondContact O-N 2.67Å
653Y38.9Very low54.4Low238 Ų238128 Ų12893%0.93364%0.642SS**  trans-52.1101.8168-69.9-88.9000105.5H651 F655H651-Y653 PolarHBondContact O-N 2.74Å; Y653-F655 VanDerWaalsContact C-N 3.25Å; Y653-F655 PolarHBondContact O-N 3.45Å
654S44.5Very low55.9Low109 Ų109129.4 Ų129.476%0.76264%0.64SS**  trans-64.5104171.6500000103.7S652 F656S652-S654 VanDerWaalsContact C-N 3.25Å; S652-S654 PolarHBondContact O-N 2.67Å; S654-F656 PolarHBondContact O-N 2.95Å
655F47.8Very low57.4Low187 Ų187129 Ų12982%0.8263%0.626SS**  trans-40.1114.6164.8-174.1-93.6000105.9Y653 D657Y653-F655 VanDerWaalsContact C-N 3.25Å; Y653-F655 PolarHBondContact O-N 3.45Å; F655-D657 VanDerWaalsContact C-N 3.27Å; F655-D657 PolarHBondContact O-N 3.07Å
656F59.2Low59.3Low96 Ų96127.5 Ų127.542%0.42162%0.618SS.*  trans-6097.1-173.4-165.5-86.6000107I630 S654 K658 L661I630-F656 HydrophobicContact CD1-CE2 3.76Å; I630-F656 HydrophobicContact CD1-CZ 3.79Å; I630-F656 HydrophobicContact CG2-CE2 4.42Å; S654-F656 PolarHBondContact O-N 2.95Å; F656-K658 VanDerWaalsContact C-N 3.33Å; F656-K658 PolarHBondContact O-N 3.38Å; F656-L661 HydrophobicContact CE1-CD2 3.97Å; F656-L661 HydrophobicContact CZ-CD2 4.2Å
657D69.4Low61.3Low59 Ų59120.5 Ų120.532%0.31658%0.582SS.*  trans-79.990.7-167.8-170.2-15.3000107.4F655 E659 K660 L661F655-D657 VanDerWaalsContact C-N 3.27Å; F655-D657 PolarHBondContact O-N 3.07Å; D657-E659 PolarHBondContact O-N 3.4Å; D657-E659 VanDerWaalsContact O-N 3.15Å; D657-E659 PolarHBondContact OD1-N 3.17Å; D657-K660 HydrophobicContact CB-CB 4.06Å; D657-K660 HydrophobicContact CB-CD 4.02Å; D657-K660 HydrophobicContact CB-CG 4.16Å; D657-K660 PolarHBondContact O-N 3.09Å; D657-K660 VanDerWaalsContact O-N 3.11Å; D657-K660 PolarHBondContact OD1-N 2.93Å; D657-K660 VanDerWaalsContact OD2-CD 3.25Å; D657-K660 WeakPolarHBondContact OD2-CD 3.39Å; D657-K660 WeakPolarHBondContact OD2-CE 3Å; D657-K660 WeakPolarHBondContact OD2-CG 3.25Å; D657-K660 IonicContact OD2-NZ 3.15Å; D657-L661 PolarHBondContact O-N 2.93Å; D657-L661 VanDerWaalsContact O-N 3.16Å
658K73.5Confident63.3Low77 Ų77117 Ų11734%0.33557%0.565SS.*Hα-helixtrans-52.2-36-178.1-63.8-175.8179.4179.10110.6L622 E624 F656 L661 I662L622-K658 HydrophobicContact CD1-CB 4.05Å; L622-K658 HydrophobicContact CD1-CD 4.5Å; L622-K658 HydrophobicContact CD1-CG 4.04Å; E624-K658 IonicContact OE1-NZ 3.97Å; F656-K658 VanDerWaalsContact C-N 3.33Å; F656-K658 PolarHBondContact O-N 3.38Å; K658-L661 PolarHBondContact O-N 2.96Å; K658-I662 WeakPolarHBondContact O-CD1 3.34Å; K658-I662 VanDerWaalsContact O-CG1 3.23Å; K658-I662 WeakPolarHBondContact O-CG1 3.32Å; K658-I662 PolarHBondContact O-N 3.11Å; K658-I662 VanDerWaalsContact O-N 3.13Å
659E76.4Confident65.4Low137 Ų137109.8 Ų109.864%0.6453%0.527SS*.Hα-helixtrans-70-43.2-179.3-61.4-170.3168.600112.1D657 L661 I662 Q663D657-E659 PolarHBondContact O-N 3.4Å; D657-E659 VanDerWaalsContact O-N 3.15Å; D657-E659 PolarHBondContact OD1-N 3.17Å; E659-L661 VanDerWaalsContact C-N 3.31Å; E659-L661 PolarHBondContact O-N 3.14Å; E659-I662 PolarHBondContact O-N 2.67Å; E659-Q663 WeakPolarHBondContact O-CB 3.19Å; E659-Q663 WeakPolarHBondContact O-CG 3.33Å; E659-Q663 PolarHBondContact O-N 2.91Å
660K77.8Confident67.3Low136 Ų136104.3 Ų104.359%0.59151%0.507SS*.Hα-helixtrans-60.6-40.6174.8-78-179.7-173.8170.30112.2D657 Q663 Q664D657-K660 HydrophobicContact CB-CB 4.06Å; D657-K660 HydrophobicContact CB-CD 4.02Å; D657-K660 HydrophobicContact CB-CG 4.16Å; D657-K660 PolarHBondContact O-N 3.09Å; D657-K660 VanDerWaalsContact O-N 3.11Å; D657-K660 PolarHBondContact OD1-N 2.93Å; D657-K660 VanDerWaalsContact OD2-CD 3.25Å; D657-K660 WeakPolarHBondContact OD2-CD 3.39Å; D657-K660 WeakPolarHBondContact OD2-CE 3Å; D657-K660 WeakPolarHBondContact OD2-CG 3.25Å; D657-K660 IonicContact OD2-NZ 3.15Å; K660-Q663 PolarHBondContact O-N 2.64Å; K660-Q664 WeakPolarHBondContact O-CB 3.31Å; K660-Q664 PolarHBondContact O-N 3.4Å
661L77.4Confident69.2Low39 Ų39101.5 Ų101.520%0.20449%0.492CS..Hα-helixtrans-63.7-44.9177.3-173.270.8000111.6L622 F656 D657 K658 E659 Q663 Q664 Y665 I681L622-L661 HydrophobicContact CD1-CD2 4.05Å; F656-L661 HydrophobicContact CE1-CD2 3.97Å; F656-L661 HydrophobicContact CZ-CD2 4.2Å; D657-L661 PolarHBondContact O-N 2.93Å; D657-L661 VanDerWaalsContact O-N 3.16Å; K658-L661 PolarHBondContact O-N 2.96Å; E659-L661 VanDerWaalsContact C-N 3.31Å; E659-L661 PolarHBondContact O-N 3.14Å; L661-Q663 VanDerWaalsContact C-N 3.32Å; L661-Q663 PolarHBondContact O-N 3.49Å; L661-Q664 PolarHBondContact O-N 3.04Å; L661-Y665 HydrophobicContact CD1-CD2 3.86Å; L661-Y665 HydrophobicContact CD1-CE2 3.69Å; L661-Y665 HydrophobicContact CG-CD2 4.35Å; L661-Y665 PolarHBondContact O-N 3.41Å; L661-Y665 VanDerWaalsContact O-N 3.12Å; L661-I681 HydrophobicContact CD2-CB 4.27Å; L661-I681 HydrophobicContact CD2-CG2 4.39Å; L661-I681 HydrophobicContact CG-CG2 4.32Å
662I82Confident70.7Confident44 Ų4495.8 Ų95.823%0.22647%0.468CS..Hα-helixtrans-60.7-43.3177.6-70.6164.9000110.7C620 K658 E659 N666 A667 I681C620-I662 HydrophobicContact CB-CG1 4.45Å; C620-I662 HydrophobicContact CB-CG2 4.49Å; C620-I662 WeakPolarHBondContact O-CD1 3.43Å; K658-I662 WeakPolarHBondContact O-CD1 3.34Å; K658-I662 VanDerWaalsContact O-CG1 3.23Å; K658-I662 WeakPolarHBondContact O-CG1 3.32Å; K658-I662 PolarHBondContact O-N 3.11Å; K658-I662 VanDerWaalsContact O-N 3.13Å; E659-I662 PolarHBondContact O-N 2.67Å; I662-N666 PolarHBondContact O-N 3.05Å; I662-A667 HydrophobicContact CG2-CB 4.19Å; I662-A667 PolarHBondContact O-N 2.98Å; I662-I681 HydrophobicContact CG1-CD1 4.25Å
663Q80.3Confident72.7Confident134 Ų13498.5 Ų98.563%0.62647%0.469SS*.Hα-helixtrans-67.3-44.6177-71.3177.36.400111.9E659 K660 L661 Y665 N666E659-Q663 WeakPolarHBondContact O-CB 3.19Å; E659-Q663 WeakPolarHBondContact O-CG 3.33Å; E659-Q663 PolarHBondContact O-N 2.91Å; K660-Q663 PolarHBondContact O-N 2.64Å; L661-Q663 VanDerWaalsContact C-N 3.32Å; L661-Q663 PolarHBondContact O-N 3.49Å; Q663-Y665 VanDerWaalsContact C-N 3.3Å; Q663-Y665 PolarHBondContact O-N 3.31Å; Q663-N666 PolarHBondContact O-N 2.84Å
664Q80.6Confident74.8Confident148 Ų14887.4 Ų87.469%0.69243%0.427SS*.Hα-helixtrans-59.5-39.3-179.4-178.5178.4-500112.5K660 L661 N666K660-Q664 WeakPolarHBondContact O-CB 3.31Å; K660-Q664 PolarHBondContact O-N 3.4Å; L661-Q664 PolarHBondContact O-N 3.04Å; Q664-N666 VanDerWaalsContact C-N 3.35Å
665Y79.7Confident76.6Confident109 Ų10982.4 Ų82.443%0.42739%0.392SS..THydrogen-bonded Turntrans-86.5-0.6178.7-82.2-95.3000113.8L661 Q663 A667 A677 T680 I681L661-Y665 HydrophobicContact CD1-CD2 3.86Å; L661-Y665 HydrophobicContact CD1-CE2 3.69Å; L661-Y665 HydrophobicContact CG-CD2 4.35Å; L661-Y665 PolarHBondContact O-N 3.41Å; L661-Y665 VanDerWaalsContact O-N 3.12Å; Q663-Y665 VanDerWaalsContact C-N 3.3Å; Q663-Y665 PolarHBondContact O-N 3.31Å; Y665-A667 PolarHBondContact O-N 2.92Å; Y665-A677 WeakPolarHBondContact O-CB 3.4Å; Y665-T680 HydrophobicContact CE1-CG2 4.27Å; Y665-I681 HydrophobicContact CD1-CG2 3.87Å; Y665-I681 HydrophobicContact CD2-CG2 3.6Å; Y665-I681 HydrophobicContact CE1-CG2 4.13Å; Y665-I681 HydrophobicContact CE2-CG2 3.88Å; Y665-I681 HydrophobicContact CG-CG2 3.59Å
666N82.9Confident78.1Confident120 Ų12079.4 Ų79.464%0.64238%0.379SS*.THydrogen-bonded Turntrans51.243.1-171.6-74.6-38.9000112.5I662 Q663 Q664 T668I662-N666 PolarHBondContact O-N 3.05Å; Q663-N666 PolarHBondContact O-N 2.84Å; Q664-N666 VanDerWaalsContact C-N 3.35Å; N666-T668 PolarHBondContact O-N 3.41Å
667A84.3Confident79.3Confident5 Ų575.4 Ų75.44%0.04136%0.364CS..  trans-75.658.8-17900000112.3C620 I662 Y665 C669 G674 A677 C678 I681C620-A667 HydrophobicContact CB-CB 4.21Å; I662-A667 HydrophobicContact CG2-CB 4.19Å; I662-A667 PolarHBondContact O-N 2.98Å; Y665-A667 PolarHBondContact O-N 2.92Å; A667-C669 VanDerWaalsContact C-N 3.27Å; A667-C669 PolarHBondContact O-N 3.17Å; A667-G674 WeakPolarHBondContact CA-O 3.47Å; A667-A677 HydrophobicContact CB-CB 4.31Å; A667-C678 HydrophobicContact CB-CB 3.97Å; A667-I681 HydrophobicContact CB-CD1 3.93Å
668T83.4Confident80.1Confident68 Ų6872.6 Ų72.642%0.41735%0.349SS..  trans-72.4-15.1-17357.40000114.2N666 K670N666-T668 PolarHBondContact O-N 3.41Å; T668-K670 WeakPolarHBondContact O-CG 3.02Å; T668-K670 PolarHBondContact O-N 3.11Å; T668-K670 VanDerWaalsContact O-N 3.09Å
669C84.6Confident80.5Confident0 Ų071.7 Ų71.70%035%0.346CS..SBendtrans57.616.7-174-67.80000115.3R618 A667 C685R618-C669 HydrophobicContact CB-CB 3.74Å; R618-C669 WeakPolarHBondContact CD-O 3.16Å; R618-C669 PolarHBondContact NH1-O 3.05Å; A667-C669 VanDerWaalsContact C-N 3.27Å; A667-C669 PolarHBondContact O-N 3.17Å; C669-C685 VanDerWaalsContact CA-SG 3.59Å; C669-C685 HydrophobicContact CB-CB 3.65Å; C669-C685 WeakPolarHBondContact CB-SG 3.4Å; C669-C685 WeakPolarHBondContact SG-CA 2.88Å; C669-C685 WeakPolarHBondContact SG-CB 3.46Å; C669-C685 CovalentContact SG-SG 2.04Å; C669-C685 PolarHBondContact SG-SG 3.43Å
670K78.6Confident80.6Confident86 Ų8669.3 Ų69.337%0.37434%0.34SS..SBendtrans-98.7-64.4-178-63.7-162174-168.10113.5E613 T668E613-K670 VanDerWaalsContact OE1-CB 3.26Å; E613-K670 WeakPolarHBondContact OE1-CB 3.36Å; E613-K670 WeakPolarHBondContact OE1-CD 3.27Å; E613-K670 WeakPolarHBondContact OE1-CG 3.18Å; T668-K670 WeakPolarHBondContact O-CG 3.02Å; T668-K670 PolarHBondContact O-N 3.11Å; T668-K670 VanDerWaalsContact O-N 3.09Å
671L76.7Confident80.8Confident90 Ų9063.7 Ų63.747%0.47132%0.317SS..SBendtrans-88157.2177.8-76.489.3000110.8H673 G674 I675L671-H673 PolarHBondContact O-N 3.36Å; L671-G674 WeakPolarHBondContact O-CA 3.33Å; L671-G674 PolarHBondContact O-N 3.15Å; L671-I675 WeakPolarHBondContact O-CD1 3.49Å; L671-I675 PolarHBondContact O-N 3.33Å; L671-I675 VanDerWaalsContact O-N 3.07Å
672P71.8Confident81Confident31 Ų3167.3 Ų67.320%0.20133%0.332CS..Hα-helixtrans-45.8-39.8174.5-30.335.7000113.5Y26 I675 K676Y26-P672 HydrophobicContact CD1-CB 4.4Å; P672-I675 PolarHBondContact O-N 3.18Å; P672-K676 WeakPolarHBondContact O-CB 3.4Å; P672-K676 PolarHBondContact O-N 3.07Å
673H77.3Confident81Confident155 Ų15565.5 Ų65.572%0.71833%0.325SS*.Hα-helixtrans-63.3-43.4174.6-65.9-74.8000113.7L671 I675 K676 A677L671-H673 PolarHBondContact O-N 3.36Å; H673-I675 VanDerWaalsContact C-N 3.3Å; H673-I675 PolarHBondContact O-N 3.25Å; H673-K676 PolarHBondContact O-N 3.37Å; H673-A677 VanDerWaalsContact O-CB 3.29Å; H673-A677 WeakPolarHBondContact O-CB 3.19Å; H673-A677 PolarHBondContact O-N 3.46Å
674G83.3Confident81.1Confident5 Ų561.5 Ų61.55%0.05231%0.309CS..Hα-helixtrans-70.6-26.3179.600000113.2A667 L671 C678A667-G674 WeakPolarHBondContact CA-O 3.47Å; L671-G674 WeakPolarHBondContact O-CA 3.33Å; L671-G674 PolarHBondContact O-N 3.15Å; G674-C678 PolarHBondContact O-N 2.76Å
675I80.9Confident81.4Confident5 Ų556.3 Ų56.33%0.02629%0.289CS..Hα-helixtrans-79.6-45.3174.9-58.2124.5000110Y25 L671 P672 H673 A677 C678 E679Y25-I675 HydrophobicContact CD1-CD1 4.32Å; Y25-I675 HydrophobicContact CD1-CG2 4.24Å; Y25-I675 HydrophobicContact CE1-CB 3.51Å; Y25-I675 HydrophobicContact CE1-CD1 3.15Å; Y25-I675 HydrophobicContact CE1-CG1 3.48Å; Y25-I675 VanDerWaalsContact CE1-CG1 3.48Å; Y25-I675 HydrophobicContact CE1-CG2 3.34Å; Y25-I675 VanDerWaalsContact CZ-CD1 3.41Å; Y25-I675 WeakPolarHBondContact OH-CD1 3.45Å; Y25-I675 WeakPolarHBondContact OH-CG1 3.5Å; L671-I675 WeakPolarHBondContact O-CD1 3.49Å; L671-I675 PolarHBondContact O-N 3.33Å; L671-I675 VanDerWaalsContact O-N 3.07Å; P672-I675 PolarHBondContact O-N 3.18Å; H673-I675 VanDerWaalsContact C-N 3.3Å; H673-I675 PolarHBondContact O-N 3.25Å; I675-A677 PolarHBondContact O-N 2.98Å; I675-C678 WeakPolarHBondContact O-CA 3.2Å; I675-C678 WeakPolarHBondContact O-CB 3.36Å; I675-C678 PolarHBondContact O-N 3.36Å; I675-E679 HydrophobicContact CG2-CG 4.49Å; I675-E679 WeakPolarHBondContact O-CG 3.31Å; I675-E679 PolarHBondContact O-N 2.93Å
676K80.7Confident81.7Confident123 Ų12354.1 Ų54.154%0.53528%0.284SS..Hα-helixtrans-56.8-39.7172.2-169.4172.5-176.1175.50111.2P672 H673 E679 T680P672-K676 WeakPolarHBondContact O-CB 3.4Å; P672-K676 PolarHBondContact O-N 3.07Å; H673-K676 PolarHBondContact O-N 3.37Å; K676-E679 PolarHBondContact O-N 3.35Å; K676-T680 PolarHBondContact O-N 3.42Å; K676-T680 PolarHBondContact O-OG1 3.39Å
677A83.9Confident81.9Confident13 Ų1351.3 Ų51.311%0.10727%0.271CS..Hα-helixtrans-60.4-44.3173.200000113Y665 A667 H673 I675 E679 T680 I681Y665-A677 WeakPolarHBondContact O-CB 3.4Å; A667-A677 HydrophobicContact CB-CB 4.31Å; H673-A677 VanDerWaalsContact O-CB 3.29Å; H673-A677 WeakPolarHBondContact O-CB 3.19Å; H673-A677 PolarHBondContact O-N 3.46Å; I675-A677 PolarHBondContact O-N 2.98Å; A677-E679 VanDerWaalsContact C-N 3.33Å; A677-E679 PolarHBondContact O-N 2.85Å; A677-T680 PolarHBondContact O-N 3.18Å; A677-I681 PolarHBondContact O-N 3.3Å
678C85.6Confident82.1Confident0 Ų057.6 Ų57.60%030%0.3CS..Hα-helixtrans-62.4-39.9173.9-1780000111.8C620 A667 G674 I675 I681 G683 C685C620-C678 HydrophobicContact CB-CB 3.89Å; C620-C678 WeakPolarHBondContact CB-SG 3.41Å; C620-C678 VanDerWaalsContact SG-CA 3.55Å; C620-C678 WeakPolarHBondContact SG-CB 3.33Å; C620-C678 CovalentContact SG-SG 2.04Å; C620-C678 PolarHBondContact SG-SG 3.13Å; A667-C678 HydrophobicContact CB-CB 3.97Å; G674-C678 PolarHBondContact O-N 2.76Å; I675-C678 WeakPolarHBondContact O-CA 3.2Å; I675-C678 WeakPolarHBondContact O-CB 3.36Å; I675-C678 PolarHBondContact O-N 3.36Å; C678-I681 WeakPolarHBondContact O-CG1 3.36Å; C678-I681 PolarHBondContact O-N 3.1Å; C678-G683 VanDerWaalsContact O-CA 3.22Å; C678-G683 WeakPolarHBondContact O-CA 3.13Å; C678-G683 PolarHBondContact O-N 2.86Å; C678-G683 VanDerWaalsContact SG-C 3.55Å; C678-C685 VanDerWaalsContact SG-SG 3.65Å
679E81.5Confident82.5Confident58 Ų5857.6 Ų57.627%0.27130%0.297SS..Hα-helixtrans-68.5-38.1177.7-69.2176.5160.100112.6K541 I675 K676 A677 I681 H682K541-E679 IonicContact NZ-OE1 3.73Å; K541-E679 PolarHBondContact NZ-OE1 2.93Å; I675-E679 HydrophobicContact CG2-CG 4.49Å; I675-E679 WeakPolarHBondContact O-CG 3.31Å; I675-E679 PolarHBondContact O-N 2.93Å; K676-E679 PolarHBondContact O-N 3.35Å; A677-E679 VanDerWaalsContact C-N 3.33Å; A677-E679 PolarHBondContact O-N 2.85Å; E679-I681 PolarHBondContact O-N 2.8Å; E679-H682 WeakPolarHBondContact O-CA 3.49Å; E679-H682 PolarHBondContact O-N 3.24Å
680T80.1Confident82.8Confident86 Ų8658.3 Ų58.353%0.52830%0.301SS..Hα-helixtrans-58.8-35.1175.7-60.40000111.9Y665 K676 A677 H682Y665-T680 HydrophobicContact CE1-CG2 4.27Å; K676-T680 PolarHBondContact O-N 3.42Å; K676-T680 PolarHBondContact O-OG1 3.39Å; A677-T680 PolarHBondContact O-N 3.18Å; T680-H682 PolarHBondContact O-N 3.49Å
681I81.9Confident83.4Confident18 Ų1854.2 Ų54.29%0.09228%0.283CS..THydrogen-bonded Turntrans-89.118176.163.8-179.1000112.8L622 L661 I662 Y665 A667 A677 C678 E679 G683L622-I681 HydrophobicContact CD2-CB 4.1Å; L622-I681 HydrophobicContact CD2-CD1 3.71Å; L622-I681 HydrophobicContact CD2-CG1 3.62Å; L622-I681 VanDerWaalsContact CD2-O 3.28Å; L622-I681 WeakPolarHBondContact CD2-O 3.13Å; L661-I681 HydrophobicContact CD2-CB 4.27Å; L661-I681 HydrophobicContact CD2-CG2 4.39Å; L661-I681 HydrophobicContact CG-CG2 4.32Å; I662-I681 HydrophobicContact CG1-CD1 4.25Å; Y665-I681 HydrophobicContact CD1-CG2 3.87Å; Y665-I681 HydrophobicContact CD2-CG2 3.6Å; Y665-I681 HydrophobicContact CE1-CG2 4.13Å; Y665-I681 HydrophobicContact CE2-CG2 3.88Å; Y665-I681 HydrophobicContact CG-CG2 3.59Å; A667-I681 HydrophobicContact CB-CD1 3.93Å; A677-I681 PolarHBondContact O-N 3.3Å; C678-I681 WeakPolarHBondContact O-CG1 3.36Å; C678-I681 PolarHBondContact O-N 3.1Å; E679-I681 PolarHBondContact O-N 2.8Å; I681-G683 PolarHBondContact O-N 3.25Å
682H81.1Confident84.2Confident116 Ų11649.9 Ų49.954%0.53726%0.26SS..THydrogen-bonded Turntrans57.928.3-176.9-56.3-76.3000114.2K623 N626 E679 T680K623-H682 WeakPolarHBondContact CB-O 3.48Å; K623-H682 WeakPolarHBondContact CG-O 3.3Å; K623-H682 PolarHBondContact N-O 3.4Å; N626-H682 PolarHBondContact ND2-CD2 3.24Å; N626-H682 VanDerWaalsContact ND2-CD2 3.33Å; E679-H682 WeakPolarHBondContact O-CA 3.49Å; E679-H682 PolarHBondContact O-N 3.24Å; T680-H682 PolarHBondContact O-N 3.49Å
683G82.5Confident85.3Confident6 Ų651.1 Ų51.16%0.06226%0.261CS..EExtended strand (participates in β ladder)trans-88.1165.5173.700000113.6I621 C678 I681I621-G683 CarbonylContact O-C 3.49Å; I621-G683 VanDerWaalsContact O-CA 3.27Å; I621-G683 WeakPolarHBondContact O-CA 3.46Å; C678-G683 VanDerWaalsContact O-CA 3.22Å; C678-G683 WeakPolarHBondContact O-CA 3.13Å; C678-G683 PolarHBondContact O-N 2.86Å; C678-G683 VanDerWaalsContact SG-C 3.55Å; I681-G683 PolarHBondContact O-N 3.25Å
684T81.4Confident86.1Confident50 Ų5047.1 Ų47.131%0.30725%0.245SC..EExtended strand (participates in β ladder)trans-123.4128.9170.853.60000108.7I621 K623 I686I621-T684 PolarHBondContact N-O 3.44Å; I621-T684 PolarHBondContact O-N 3.47Å; I621-T684 PolarHBondContact O-OG1 3.25Å; K623-T684 HydrophobicContact CD-CG2 4.3Å; K623-T684 HydrophobicContact CG-CG2 4.13Å; T684-I686 PolarHBondContact O-N 2.95Å
685C86.8Confident86.7Confident39 Ų3947.1 Ų47.126%0.26424%0.244SC..EExtended strand (participates in β ladder)trans-75.8124.4174.6-71.20000109.9C669 C678C669-C685 VanDerWaalsContact CA-SG 3.59Å; C669-C685 HydrophobicContact CB-CB 3.65Å; C669-C685 WeakPolarHBondContact CB-SG 3.4Å; C669-C685 WeakPolarHBondContact SG-CA 2.88Å; C669-C685 WeakPolarHBondContact SG-CB 3.46Å; C669-C685 CovalentContact SG-SG 2.04Å; C669-C685 PolarHBondContact SG-SG 3.43Å; C678-C685 VanDerWaalsContact SG-SG 3.65Å
686I86.1Confident87.3Confident63 Ų6346.9 Ų46.932%0.32324%0.242SC..EExtended strand (participates in β ladder)trans-116.7145.8171.862.9145.1000110.5R618 A619 I621 T684 Q688R618-I686 WeakPolarHBondContact CA-O 3.47Å; A619-I686 HydrophobicContact CB-CG1 4.42Å; A619-I686 PolarHBondContact N-O 3.09Å; A619-I686 WeakPolarHBondContact O-CG1 3.39Å; A619-I686 PolarHBondContact O-N 3.34Å; I621-I686 HydrophobicContact CD1-CD1 3.26Å; I621-I686 HydrophobicContact CD1-CG1 3.61Å; I621-I686 HydrophobicContact CD1-CG2 4.23Å; I621-I686 HydrophobicContact CG1-CD1 4.03Å; I621-I686 HydrophobicContact CG1-CG1 3.92Å; T684-I686 PolarHBondContact O-N 2.95Å; I686-Q688 HydrophobicContact CD1-CG 4.18Å
687T87.3Confident88Confident61 Ų6142.4 Ų42.437%0.37423%0.231SC..EExtended strand (participates in β ladder)trans-88.9116.7171.448.10000108.4R618R618-T687 HydrophobicContact CG-CG2 4Å
688Q88Confident88.5Confident136 Ų13647.3 Ų47.364%0.63626%0.255SS*.EExtended strand (participates in β ladder)trans-85.5-44.7177-70.3-179-36.300111.2K617 A619 I686K617-Q688 PolarHBondContact O-N 2.68Å; A619-Q688 HydrophobicContact CB-CG 4.15Å; I686-Q688 HydrophobicContact CD1-CG 4.18Å
689L91.6Very high89Confident69 Ų6947.5 Ų47.536%0.36126%0.256SS..EExtended strand (participates in β ladder)trans-129.5123.6174.6179.667.1000107.5T616 K617 L694T616-L689 CarbonylContact C-O 3.49Å; T616-L689 WeakPolarHBondContact CA-O 3.05Å; T616-L689 WeakPolarHBondContact CG2-O 3.2Å; K617-L689 HydrophobicContact CB-CB 4.07Å; K617-L689 HydrophobicContact CD-CD2 4.3Å; K617-L689 HydrophobicContact CG-CB 4.39Å; K617-L689 HydrophobicContact CG-CD2 4.48Å; K617-L689 PolarHBondContact N-O 2.96Å; K617-L689 PolarHBondContact O-N 3.19Å; L689-L694 HydrophobicContact CD1-CD1 4.14Å; L689-L694 HydrophobicContact CD1-CG 4.48Å; L689-L694 HydrophobicContact CD2-CD1 4.08Å; L689-L694 HydrophobicContact CG-CD1 4.24Å
690D91.1Very high89.6Confident14 Ų1445.4 Ų45.48%0.07525%0.247CC..  trans-101.1114.7-179-154.3-38.4000109.7K438 F692 Y693K438-D690 WeakPolarHBondContact CE-OD2 3.23Å; K438-D690 IonicContact NZ-OD1 3.3Å; K438-D690 PolarHBondContact NZ-OD1 3.29Å; K438-D690 IonicContact NZ-OD2 3.34Å; K438-D690 PolarHBondContact NZ-OD2 3.39Å; D690-F692 PolarHBondContact O-N 2.73Å; D690-F692 VanDerWaalsContact O-N 3.16Å; D690-F692 VanDerWaalsContact OD1-CB 3.3Å; D690-F692 WeakPolarHBondContact OD1-CB 3.42Å; D690-F692 PolarHBondContact OD1-N 2.62Å; D690-Y693 HydrophobicContact CB-CD2 3.64Å; D690-Y693 HydrophobicContact CB-CE2 3.88Å; D690-Y693 PolarHBondContact O-N 3.3Å
691G92.8Very high90.4Very high0 Ų045.9 Ų45.90%025%0.246CC..Hα-helixtrans-58.2-28.9-179.500000112.2T616 Y693 L694 E695T616-G691 PolarHBondContact OG1-N 2.98Å; G691-Y693 PolarHBondContact O-N 3.16Å; G691-L694 PolarHBondContact O-N 2.79Å; G691-E695 WeakPolarHBondContact O-CG 3.44Å; G691-E695 PolarHBondContact O-N 3.31Å
692F93.3Very high91Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-53-50176166.6-107.6000113.3I434 K438 T494 V498 I612 D690 L694 E695 V696I434-F692 HydrophobicContact CB-CD2 3.79Å; I434-F692 HydrophobicContact CB-CE2 4.06Å; I434-F692 HydrophobicContact CD1-CD2 4.44Å; I434-F692 HydrophobicContact CG2-CB 4.38Å; I434-F692 HydrophobicContact CG2-CD2 3.33Å; I434-F692 HydrophobicContact CG2-CE2 3.93Å; I434-F692 HydrophobicContact CG2-CG 4.18Å; K438-F692 HydrophobicContact CG-CD1 4.16Å; K438-F692 HydrophobicContact CG-CE1 4.36Å; K438-F692 HydrophobicContact CG-CG 4.34Å; T494-F692 HydrophobicContact CG2-CE2 4.27Å; T494-F692 HydrophobicContact CG2-CZ 3.73Å; V498-F692 HydrophobicContact CB-CE1 3.82Å; V498-F692 HydrophobicContact CB-CZ 4.15Å; V498-F692 HydrophobicContact CG1-CD1 4.29Å; V498-F692 HydrophobicContact CG1-CE1 3.63Å; V498-F692 HydrophobicContact CG1-CZ 4.21Å; V498-F692 HydrophobicContact CG2-CE1 4.08Å; V498-F692 HydrophobicContact CG2-CZ 3.88Å; I612-F692 HydrophobicContact CD1-CB 4.44Å; D690-F692 PolarHBondContact O-N 2.73Å; D690-F692 VanDerWaalsContact O-N 3.16Å; D690-F692 VanDerWaalsContact OD1-CB 3.3Å; D690-F692 WeakPolarHBondContact OD1-CB 3.42Å; D690-F692 PolarHBondContact OD1-N 2.62Å; F692-L694 VanDerWaalsContact C-N 3.3Å; F692-L694 PolarHBondContact O-N 3.49Å; F692-E695 PolarHBondContact O-N 3.13Å; F692-V696 HydrophobicContact CD2-CG2 3.77Å; F692-V696 HydrophobicContact CE2-CG2 3.49Å; F692-V696 VanDerWaalsContact CE2-CG2 3.49Å; F692-V696 HydrophobicContact CZ-CG2 4.06Å; F692-V696 WeakPolarHBondContact O-CB 3.33Å; F692-V696 WeakPolarHBondContact O-CG2 3.33Å; F692-V696 PolarHBondContact O-N 2.91Å
693Y95Very high91.8Very high56 Ų5643.9 Ų43.922%0.2224%0.235CC..Hα-helixtrans-68.7-33.1-176.7-63-63.6000111.7I495 V498 Y499 D690 G691 G697I495-Y693 HydrophobicContact CG2-CD1 3.97Å; I495-Y693 HydrophobicContact CG2-CE1 4.38Å; V498-Y693 HydrophobicContact CG1-CE1 4.4Å; Y499-Y693 VanDerWaalsContact CA-OH 3.23Å; Y499-Y693 WeakPolarHBondContact CA-OH 3.31Å; Y499-Y693 HydrophobicContact CD2-CE2 4.49Å; Y499-Y693 PolarHBondContact N-OH 3.35Å; D690-Y693 HydrophobicContact CB-CD2 3.64Å; D690-Y693 HydrophobicContact CB-CE2 3.88Å; D690-Y693 PolarHBondContact O-N 3.3Å; G691-Y693 PolarHBondContact O-N 3.16Å; Y693-G697 PolarHBondContact O-N 3.46Å
694L94.3Very high92.4Very high72 Ų7247.3 Ų47.338%0.37725%0.252SS..Hα-helixtrans-66.7-50.3174.7-66.6178.4000110.9L689 G691 F692 G697 L698L689-L694 HydrophobicContact CD1-CD1 4.14Å; L689-L694 HydrophobicContact CD1-CG 4.48Å; L689-L694 HydrophobicContact CD2-CD1 4.08Å; L689-L694 HydrophobicContact CG-CD1 4.24Å; G691-L694 PolarHBondContact O-N 2.79Å; F692-L694 VanDerWaalsContact C-N 3.3Å; F692-L694 PolarHBondContact O-N 3.49Å; L694-G697 PolarHBondContact O-N 3.46Å; L694-L698 VanDerWaalsContact O-CB 3.29Å; L694-L698 WeakPolarHBondContact O-CB 3.48Å; L694-L698 WeakPolarHBondContact O-CG 3.35Å; L694-L698 PolarHBondContact O-N 2.91Å
695E94Very high93.1Very high5 Ų549.2 Ų49.22%0.02326%0.259CS..Hα-helixtrans-61.7-48.8-179.3-73.1-179.9-15700112.1A430 I434 F608 L611 I612 L615 G691 F692 S699A430-E695 HydrophobicContact CB-CB 4.19Å; I434-E695 VanDerWaalsContact CD1-OE2 3.22Å; I434-E695 WeakPolarHBondContact CD1-OE2 3.41Å; F608-E695 WeakPolarHBondContact CB-OE2 3.35Å; F608-E695 HydrophobicContact CD1-CB 4.05Å; F608-E695 HydrophobicContact CD1-CG 4.04Å; F608-E695 WeakPolarHBondContact CD1-OE2 3.25Å; F608-E695 HydrophobicContact CE1-CB 4.38Å; L611-E695 WeakPolarHBondContact CB-OE1 3.44Å; I612-E695 WeakPolarHBondContact CA-OE1 3.5Å; I612-E695 PolarHBondContact N-OE1 3.25Å; L615-E695 HydrophobicContact CD1-CG 3.75Å; G691-E695 WeakPolarHBondContact O-CG 3.44Å; G691-E695 PolarHBondContact O-N 3.31Å; F692-E695 PolarHBondContact O-N 3.13Å; E695-S699 WeakPolarHBondContact O-CB 3.03Å; E695-S699 PolarHBondContact O-N 3.07Å; E695-S699 PolarHBondContact O-OG 3.09Å
696V95Very high93.6Very high0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-65-46.1178.81780000110.5A430 P431 I495 F692 L698 S699 V700A430-V696 HydrophobicContact CB-CG2 4.27Å; P431-V696 HydrophobicContact CB-CG1 3.86Å; P431-V696 HydrophobicContact CB-CG2 4.03Å; P431-V696 HydrophobicContact CG-CG1 4.2Å; I495-V696 HydrophobicContact CD1-CB 4.43Å; I495-V696 HydrophobicContact CD1-CG1 3.97Å; I495-V696 HydrophobicContact CG1-CB 4.23Å; I495-V696 HydrophobicContact CG1-CG1 3.72Å; F692-V696 HydrophobicContact CD2-CG2 3.77Å; F692-V696 HydrophobicContact CE2-CG2 3.49Å; F692-V696 VanDerWaalsContact CE2-CG2 3.49Å; F692-V696 HydrophobicContact CZ-CG2 4.06Å; F692-V696 WeakPolarHBondContact O-CB 3.33Å; F692-V696 WeakPolarHBondContact O-CG2 3.33Å; F692-V696 PolarHBondContact O-N 2.91Å; V696-L698 PolarHBondContact O-N 3.49Å; V696-S699 WeakPolarHBondContact CA-OG 3.37Å; V696-S699 PolarHBondContact O-N 2.9Å; V696-S699 PolarHBondContact O-OG 3.12Å; V696-V700 HydrophobicContact CG1-CG2 4.37Å; V696-V700 WeakPolarHBondContact O-CG2 3.37Å; V696-V700 PolarHBondContact O-N 3.39Å
697G95.2Very high94.1Very high28 Ų2847.1 Ų47.129%0.28924%0.244SC..Hα-helixtrans-59.4-45.8179.100000112.8Y693 L694 L701Y693-G697 PolarHBondContact O-N 3.46Å; L694-G697 PolarHBondContact O-N 3.46Å; G697-L701 WeakPolarHBondContact O-CB 3.26Å; G697-L701 PolarHBondContact O-N 3.1Å
698L94.8Very high94.5Very high116 Ų11647.2 Ų47.261%0.60725%0.246SC*.Hα-helixtrans-66.4-41.1177.6-69.8174000112.1L694 V696 L701 F702L694-L698 VanDerWaalsContact O-CB 3.29Å; L694-L698 WeakPolarHBondContact O-CB 3.48Å; L694-L698 WeakPolarHBondContact O-CG 3.35Å; L694-L698 PolarHBondContact O-N 2.91Å; V696-L698 PolarHBondContact O-N 3.49Å; L698-L701 PolarHBondContact O-N 3.01Å; L698-F702 VanDerWaalsContact O-CB 3.27Å; L698-F702 WeakPolarHBondContact O-CB 3.49Å; L698-F702 PolarHBondContact O-N 2.93Å
699S95Very high94.9Very high5 Ų548.9 Ų48.94%0.03525%0.251CS..Hα-helixtrans-63.9-40.3178.269.90000112.7E695 V696 G703E695-S699 WeakPolarHBondContact O-CB 3.03Å; E695-S699 PolarHBondContact O-N 3.07Å; E695-S699 PolarHBondContact O-OG 3.09Å; V696-S699 WeakPolarHBondContact CA-OG 3.37Å; V696-S699 PolarHBondContact O-N 2.9Å; V696-S699 PolarHBondContact O-OG 3.12Å; S699-G703 PolarHBondContact O-N 2.99Å
700V94.8Very high95.1Very high14 Ų1449.4 Ų49.49%0.08525%0.251CS..Hα-helixtrans-67.8-47176.9166.80000111L488 T491 S492 V696 F702 G703 L704L488-V700 HydrophobicContact CD1-CG2 4.42Å; T491-V700 HydrophobicContact CG2-CG2 4.5Å; S492-V700 WeakPolarHBondContact OG-CG1 3.12Å; V696-V700 HydrophobicContact CG1-CG2 4.37Å; V696-V700 WeakPolarHBondContact O-CG2 3.37Å; V696-V700 PolarHBondContact O-N 3.39Å; V700-F702 VanDerWaalsContact C-N 3.32Å; V700-F702 PolarHBondContact O-N 3.28Å; V700-G703 PolarHBondContact O-N 3.04Å; V700-G703 VanDerWaalsContact O-N 3.13Å; V700-L704 HydrophobicContact CG1-CD1 4.21Å; V700-L704 WeakPolarHBondContact O-CG 3.29Å; V700-L704 PolarHBondContact O-N 3.43Å
701L95.8Very high95.4Very high96 Ų9648.8 Ų48.850%0.50325%0.247SC..Hα-helixtrans-60.2-44.5178.3-179.462.7000111.1G697 L698 G703 L704 I705G697-L701 WeakPolarHBondContact O-CB 3.26Å; G697-L701 PolarHBondContact O-N 3.1Å; L698-L701 PolarHBondContact O-N 3.01Å; L701-G703 VanDerWaalsContact C-N 3.32Å; L701-G703 PolarHBondContact O-N 3.21Å; L701-L704 PolarHBondContact O-N 2.91Å; L701-I705 HydrophobicContact CD1-CD1 4.14Å; L701-I705 HydrophobicContact CG-CD1 4.04Å; L701-I705 WeakPolarHBondContact O-CG1 3.44Å; L701-I705 PolarHBondContact O-N 3.48Å; L701-I705 VanDerWaalsContact O-N 3.09Å
702F96.1Very high95.6Very high92 Ų9253.9 Ų53.940%0.40427%0.267SS..Hα-helixtrans-57.4-45.5173.5179.1-106.4000111.4T423 V426 C427 L698 V700 L704 I705 V706T423-F702 HydrophobicContact CG2-CE1 4.08Å; T423-F702 HydrophobicContact CG2-CZ 4.38Å; V426-F702 HydrophobicContact CG1-CD1 4.46Å; V426-F702 HydrophobicContact CG1-CE1 4.29Å; C427-F702 VanDerWaalsContact SG-CD1 3.56Å; L698-F702 VanDerWaalsContact O-CB 3.27Å; L698-F702 WeakPolarHBondContact O-CB 3.49Å; L698-F702 PolarHBondContact O-N 2.93Å; V700-F702 VanDerWaalsContact C-N 3.32Å; V700-F702 PolarHBondContact O-N 3.28Å; F702-L704 PolarHBondContact O-N 2.97Å; F702-I705 PolarHBondContact O-N 3.29Å; F702-V706 HydrophobicContact CD1-CG2 4.47Å; F702-V706 HydrophobicContact CD2-CG2 3.81Å; F702-V706 HydrophobicContact CE1-CG2 4.23Å; F702-V706 HydrophobicContact CE2-CG2 3.54Å; F702-V706 HydrophobicContact CG-CG2 4.27Å; F702-V706 HydrophobicContact CZ-CG2 3.78Å; F702-V706 WeakPolarHBondContact O-CB 3.35Å; F702-V706 WeakPolarHBondContact O-CG2 3.16Å; F702-V706 PolarHBondContact O-N 3.32Å
703G96.6Very high95.7Very high0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans-61-42.2176.500000114.2C427 S699 V700 L701 I705 V706 Y707C427-G703 WeakPolarHBondContact SG-CA 3.2Å; S699-G703 PolarHBondContact O-N 2.99Å; V700-G703 PolarHBondContact O-N 3.04Å; V700-G703 VanDerWaalsContact O-N 3.13Å; L701-G703 VanDerWaalsContact C-N 3.32Å; L701-G703 PolarHBondContact O-N 3.21Å; G703-I705 VanDerWaalsContact C-N 3.34Å; G703-I705 PolarHBondContact O-N 3Å; G703-V706 PolarHBondContact O-N 2.83Å; G703-Y707 VanDerWaalsContact O-CB 3.23Å; G703-Y707 WeakPolarHBondContact O-CB 3.49Å; G703-Y707 PolarHBondContact O-N 3.47Å
704L95.8Very high95.8Very high77 Ų7755 Ų5540%0.40328%0.281SS..Hα-helixtrans-65.8-37.4179.2-72.5173.5000112.1L488 V700 L701 F702 P708L488-L704 HydrophobicContact CD2-CD2 3.82Å; L488-L704 HydrophobicContact CD2-CG 3.94Å; V700-L704 HydrophobicContact CG1-CD1 4.21Å; V700-L704 WeakPolarHBondContact O-CG 3.29Å; V700-L704 PolarHBondContact O-N 3.43Å; L701-L704 PolarHBondContact O-N 2.91Å; F702-L704 PolarHBondContact O-N 2.97Å; L704-P708 WeakPolarHBondContact O-CD 3.39Å
705I96.4Very high95.8Very high90 Ų9051.6 Ų51.646%0.46226%0.263SS..Hα-helixtrans-71.6-49.2176.7-66.2167.8000110.1L701 F702 G703 Y707 P708 F709L701-I705 HydrophobicContact CD1-CD1 4.14Å; L701-I705 HydrophobicContact CG-CD1 4.04Å; L701-I705 WeakPolarHBondContact O-CG1 3.44Å; L701-I705 PolarHBondContact O-N 3.48Å; L701-I705 VanDerWaalsContact O-N 3.09Å; F702-I705 PolarHBondContact O-N 3.29Å; G703-I705 VanDerWaalsContact C-N 3.34Å; G703-I705 PolarHBondContact O-N 3Å; I705-Y707 VanDerWaalsContact C-N 3.31Å; I705-Y707 PolarHBondContact O-N 3.46Å; I705-P708 WeakPolarHBondContact O-CD 3.43Å; I705-F709 HydrophobicContact CG2-CD2 4.39Å; I705-F709 WeakPolarHBondContact O-CD2 3.23Å
706V96.8Very high95.8Very high22 Ų2253.3 Ų53.313%0.13328%0.275CS..Hα-helixtrans-77-19.7-170.5-1770000112.3T423 F702 G703 F710 L711T423-V706 HydrophobicContact CG2-CB 4.47Å; T423-V706 HydrophobicContact CG2-CG1 3.55Å; F702-V706 HydrophobicContact CD1-CG2 4.47Å; F702-V706 HydrophobicContact CD2-CG2 3.81Å; F702-V706 HydrophobicContact CE1-CG2 4.23Å; F702-V706 HydrophobicContact CE2-CG2 3.54Å; F702-V706 HydrophobicContact CG-CG2 4.27Å; F702-V706 HydrophobicContact CZ-CG2 3.78Å; F702-V706 WeakPolarHBondContact O-CB 3.35Å; F702-V706 WeakPolarHBondContact O-CG2 3.16Å; F702-V706 PolarHBondContact O-N 3.32Å; G703-V706 PolarHBondContact O-N 2.83Å; V706-F710 HydrophobicContact CG1-CB 3.71Å; V706-F710 HydrophobicContact CG1-CD1 3.74Å; V706-F710 HydrophobicContact CG1-CG 4.11Å; V706-F710 WeakPolarHBondContact O-CB 3.47Å; V706-F710 PolarHBondContact O-N 3.5Å; V706-L711 HydrophobicContact CG1-CG 4.14Å; V706-L711 PolarHBondContact O-N 3.43Å
707Y97Very high95.8Very high37 Ų3758.6 Ų58.615%0.14530%0.295CS..Iπ-helixtrans-55.4-63.5177.2175.2-102.6000114.5I481 F484 L485 G703 I705 L711 Y712I481-Y707 HydrophobicContact CD1-CD2 4Å; I481-Y707 HydrophobicContact CD1-CE2 3.98Å; I481-Y707 HydrophobicContact CG1-CD2 4.29Å; I481-Y707 HydrophobicContact CG1-CE2 3.84Å; I481-Y707 WeakPolarHBondContact O-CE2 3.17Å; F484-Y707 AromaticContact CD1-CD2 3.67Å; F484-Y707 HydrophobicContact CD1-CD2 3.67Å; F484-Y707 HydrophobicContact CD1-CE2 4.22Å; F484-Y707 HydrophobicContact CE1-CD2 4.01Å; L485-Y707 HydrophobicContact CB-CE1 4.47Å; L485-Y707 HydrophobicContact CB-CE2 4.12Å; L485-Y707 HydrophobicContact CD1-CD1 4.17Å; L485-Y707 HydrophobicContact CD1-CE1 4.24Å; L485-Y707 HydrophobicContact CD1-CG 4.47Å; L485-Y707 HydrophobicContact CD2-CE1 3.95Å; L485-Y707 HydrophobicContact CG-CE1 4.46Å; G703-Y707 VanDerWaalsContact O-CB 3.23Å; G703-Y707 WeakPolarHBondContact O-CB 3.49Å; G703-Y707 PolarHBondContact O-N 3.47Å; I705-Y707 VanDerWaalsContact C-N 3.31Å; I705-Y707 PolarHBondContact O-N 3.46Å; Y707-L711 PolarHBondContact O-N 2.86Å; Y707-Y712 WeakPolarHBondContact O-CB 3.29Å; Y707-Y712 PolarHBondContact O-N 3.23Å
708P95.9Very high95.8Very high62 Ų6257.3 Ų57.340%0.40328%0.281SS..Iπ-helixtrans-72.5-35.9-177.129.5-35.8000112.6L704 I705 P713L704-P708 WeakPolarHBondContact O-CD 3.39Å; I705-P708 WeakPolarHBondContact O-CD 3.43Å; P708-P713 WeakPolarHBondContact O-CD 3.44Å
709F95.7Very high95.6Very high171 Ų17152.2 Ų52.275%0.7526%0.255SS*.Iπ-helixtrans-82.5-25.3-171.6-66.5-61.8000113.8I705I705-F709 HydrophobicContact CG2-CD2 4.39Å; I705-F709 WeakPolarHBondContact O-CD2 3.23Å
710F96.6Very high95.4Very high81 Ų8156.7 Ų56.736%0.35528%0.278SS..Iπ-helixtrans-133.5-54-172.2-178.7-104.9000113I419 T423 V706 M714I419-F710 HydrophobicContact CG2-CE1 3.79Å; I419-F710 HydrophobicContact CG2-CZ 3.53Å; T423-F710 HydrophobicContact CG2-CD1 4.46Å; V706-F710 HydrophobicContact CG1-CB 3.71Å; V706-F710 HydrophobicContact CG1-CD1 3.74Å; V706-F710 HydrophobicContact CG1-CG 4.11Å; V706-F710 WeakPolarHBondContact O-CB 3.47Å; V706-F710 PolarHBondContact O-N 3.5Å; F710-M714 HydrophobicContact CD1-SD 4.44Å; F710-M714 HydrophobicContact CE1-SD 3.66Å; F710-M714 HydrophobicContact CE2-SD 4.08Å; F710-M714 HydrophobicContact CZ-CE 3.91Å; F710-M714 HydrophobicContact CZ-SD 3.44Å; F710-M714 WeakPolarHBondContact CZ-SD 3.41Å; F710-M714 WeakPolarHBondContact O-CB 3.36Å; F710-M714 PolarHBondContact O-N 2.9Å
711L96.9Very high95.3Very high0 Ų058.7 Ų58.70%029%0.288CS..Iπ-helixtrans-69.1-47.4-171.1-63.9174.1000113.1L420 T423 V424 I481 F484 V706 Y707 M714 A715L420-L711 HydrophobicContact CG-CD2 4.39Å; T423-L711 HydrophobicContact CG2-CD1 4.42Å; T423-L711 HydrophobicContact CG2-CD2 3.72Å; T423-L711 HydrophobicContact CG2-CG 4.27Å; V424-L711 HydrophobicContact CG2-CD1 3.79Å; V424-L711 HydrophobicContact CG2-CD2 3.91Å; V424-L711 HydrophobicContact CG2-CG 4.44Å; I481-L711 HydrophobicContact CD1-CB 3.53Å; I481-L711 HydrophobicContact CD1-CD1 4.21Å; I481-L711 HydrophobicContact CD1-CG 4.42Å; I481-L711 HydrophobicContact CG1-CB 4.27Å; F484-L711 HydrophobicContact CD1-CD1 4.2Å; F484-L711 HydrophobicContact CE1-CD1 3.65Å; F484-L711 HydrophobicContact CZ-CD1 4.04Å; V706-L711 HydrophobicContact CG1-CG 4.14Å; V706-L711 PolarHBondContact O-N 3.43Å; Y707-L711 PolarHBondContact O-N 2.86Å; L711-M714 PolarHBondContact O-N 2.85Å; L711-A715 WeakPolarHBondContact O-CB 3.48Å; L711-A715 PolarHBondContact O-N 2.9Å
712Y96.4Very high95Very high107 Ų10757.8 Ų57.842%0.4229%0.288SS..Hα-helixtrans-63.3-51.8-177.4-178.5-89.8000112.4I481 Y707 M714 A715 C716I481-Y712 HydrophobicContact CG2-CD2 3.96Å; I481-Y712 HydrophobicContact CG2-CE2 4.47Å; Y707-Y712 WeakPolarHBondContact O-CB 3.29Å; Y707-Y712 PolarHBondContact O-N 3.23Å; Y712-M714 VanDerWaalsContact C-N 3.27Å; Y712-M714 PolarHBondContact O-N 3.02Å; Y712-A715 PolarHBondContact O-N 3.45Å; Y712-C716 PolarHBondContact O-N 3.08Å; Y712-C716 VanDerWaalsContact O-N 3.11Å; Y712-C716 PolarHBondContact O-SG 2.85Å; Y712-C716 VanDerWaalsContact O-SG 3.37Å
713P96.4Very high94.4Very high68 Ų6856.4 Ų56.444%0.44229%0.29SS..Hα-helixtrans-59.2-37.8175.9-23.533.9000113.1P708 R717P708-P713 WeakPolarHBondContact O-CD 3.44Å; P713-R717 WeakPolarHBondContact O-CB 3.49Å; P713-R717 PolarHBondContact O-N 2.88Å
714M95.7Very high93.9Very high13 Ų1360.3 Ų60.36%0.06432%0.317CS..Hα-helixtrans-68.2-44.6-179.7-174.9176.5-146.600112.3Q416 I419 L420 F710 L711 Y712 R717 L718Q416-M714 VanDerWaalsContact C-CE 3.45Å; Q416-M714 HydrophobicContact CB-CE 3.55Å; Q416-M714 HydrophobicContact CG-CE 3.87Å; Q416-M714 WeakPolarHBondContact O-CE 3.45Å; I419-M714 HydrophobicContact CB-CE 4.18Å; I419-M714 HydrophobicContact CG2-CE 4.39Å; L420-M714 HydrophobicContact CB-CG 4.37Å; L420-M714 HydrophobicContact CB-SD 3.79Å; L420-M714 HydrophobicContact CD1-CB 3.93Å; L420-M714 HydrophobicContact CD1-CG 3.83Å; L420-M714 HydrophobicContact CD1-SD 4.09Å; F710-M714 HydrophobicContact CD1-SD 4.44Å; F710-M714 HydrophobicContact CE1-SD 3.66Å; F710-M714 HydrophobicContact CE2-SD 4.08Å; F710-M714 HydrophobicContact CZ-CE 3.91Å; F710-M714 HydrophobicContact CZ-SD 3.44Å; F710-M714 WeakPolarHBondContact CZ-SD 3.41Å; F710-M714 WeakPolarHBondContact O-CB 3.36Å; F710-M714 PolarHBondContact O-N 2.9Å; L711-M714 PolarHBondContact O-N 2.85Å; Y712-M714 VanDerWaalsContact C-N 3.27Å; Y712-M714 PolarHBondContact O-N 3.02Å; M714-R717 PolarHBondContact O-N 3.5Å; M714-L718 HydrophobicContact CG-CD1 4.22Å; M714-L718 WeakPolarHBondContact O-CG 3.47Å; M714-L718 PolarHBondContact O-N 2.96Å
715A95.7Very high93.6Very high0 Ų058.1 Ų58.10%031%0.31CS..Hα-helixtrans-58.9-49.6175.300000111.2L420 L477 I481 L711 Y712 R717 L718 D719L420-A715 HydrophobicContact CD1-CB 3.89Å; L477-A715 HydrophobicContact CB-CB 4.26Å; I481-A715 HydrophobicContact CB-CB 3.83Å; I481-A715 HydrophobicContact CG1-CB 4.17Å; I481-A715 HydrophobicContact CG2-CB 3.76Å; L711-A715 WeakPolarHBondContact O-CB 3.48Å; L711-A715 PolarHBondContact O-N 2.9Å; Y712-A715 PolarHBondContact O-N 3.45Å; A715-R717 VanDerWaalsContact C-N 3.29Å; A715-R717 PolarHBondContact O-N 3.43Å; A715-L718 PolarHBondContact O-N 2.84Å; A715-D719 PolarHBondContact O-N 3.22Å
716C93.9Very high93.3Very high41 Ų4154 Ų5428%0.27729%0.289SS..Hα-helixtrans-59.2-40.2178.3-67.40000112.2Y712 N720Y712-C716 PolarHBondContact O-N 3.08Å; Y712-C716 VanDerWaalsContact O-N 3.11Å; Y712-C716 PolarHBondContact O-SG 2.85Å; Y712-C716 VanDerWaalsContact O-SG 3.37Å; C716-N720 VanDerWaalsContact O-CG 3.3Å; C716-N720 PolarHBondContact O-N 3.23Å; C716-N720 PolarHBondContact O-ND2 3.35Å
717R94.4Very high92.8Very high110 Ų11054.6 Ų54.642%0.41529%0.294SS..Hα-helixtrans-66.5-44.1178.2-174.5167.76188.76.7112.3P713 M714 A715 N720P713-R717 WeakPolarHBondContact O-CB 3.49Å; P713-R717 PolarHBondContact O-N 2.88Å; M714-R717 PolarHBondContact O-N 3.5Å; A715-R717 VanDerWaalsContact C-N 3.29Å; A715-R717 PolarHBondContact O-N 3.43Å; R717-N720 PolarHBondContact O-N 3.3Å
718L94.5Very high92.3Very high1 Ų156.1 Ų56.11%0.00530%0.302CS..Hα-helixtrans-65.9-38.7179.7-72.5171.1000112.3P413 Q416 F417 L477 M714 A715 N720 L721 Y726P413-L718 HydrophobicContact CB-CD2 4.2Å; P413-L718 WeakPolarHBondContact O-CD2 3.42Å; Q416-L718 HydrophobicContact CB-CD1 4.35Å; Q416-L718 HydrophobicContact CB-CD2 3.85Å; Q416-L718 HydrophobicContact CB-CG 4.47Å; F417-L718 HydrophobicContact CB-CD1 4.02Å; F417-L718 HydrophobicContact CD2-CD1 4.45Å; L477-L718 HydrophobicContact CD1-CB 3.51Å; L477-L718 HydrophobicContact CD1-CD1 4.24Å; M714-L718 HydrophobicContact CG-CD1 4.22Å; M714-L718 WeakPolarHBondContact O-CG 3.47Å; M714-L718 PolarHBondContact O-N 2.96Å; A715-L718 PolarHBondContact O-N 2.84Å; L718-N720 VanDerWaalsContact C-N 3.29Å; L718-N720 PolarHBondContact O-N 3.43Å; L718-L721 HydrophobicContact CD2-CD1 4.25Å; L718-L721 PolarHBondContact O-N 3.24Å; L718-Y726 HydrophobicContact CD2-CE1 4.49Å; L718-Y726 WeakPolarHBondContact CD2-OH 3.46Å; L718-Y726 PolarHBondContact O-OH 3.49Å
719D91.3Very high91.6Very high9 Ų962.8 Ų62.85%0.04832%0.319CS..Hα-helixtrans-66.2-30.2178.4-105.6-1.2000113.6R475 P476 L477 G478 A715 L721R475-D719 VanDerWaalsContact CA-OD2 3.26Å; R475-D719 WeakPolarHBondContact CA-OD2 3.41Å; R475-D719 WeakPolarHBondContact CB-OD2 3.47Å; R475-D719 HydrophobicContact CG-CB 4.43Å; P476-D719 WeakPolarHBondContact CD-OD1 3.2Å; L477-D719 WeakPolarHBondContact CA-OD2 3.31Å; L477-D719 HydrophobicContact CB-CB 4.45Å; L477-D719 VanDerWaalsContact CB-CG 3.46Å; L477-D719 VanDerWaalsContact CB-OD1 3.24Å; L477-D719 WeakPolarHBondContact CB-OD1 3.28Å; L477-D719 WeakPolarHBondContact CG-OD1 3.27Å; L477-D719 VanDerWaalsContact N-CG 3.33Å; L477-D719 PolarHBondContact N-OD1 2.94Å; L477-D719 PolarHBondContact N-OD2 2.88Å; G478-D719 PolarHBondContact N-OD2 3.31Å; A715-D719 PolarHBondContact O-N 3.22Å; D719-L721 VanDerWaalsContact C-N 3.33Å
720N91.6Very high90.8Very high100 Ų10057.9 Ų57.954%0.53530%0.3SS..THydrogen-bonded Turntrans-84.5-5.3-179.7-70.2-31.2000113.2R475 C716 R717 L718R475-N720 PolarHBondContact NE-OD1 2.9Å; R475-N720 PolarHBondContact NH2-OD1 3.43Å; C716-N720 VanDerWaalsContact O-CG 3.3Å; C716-N720 PolarHBondContact O-N 3.23Å; C716-N720 PolarHBondContact O-ND2 3.35Å; R717-N720 PolarHBondContact O-N 3.3Å; L718-N720 VanDerWaalsContact C-N 3.29Å; L718-N720 PolarHBondContact O-N 3.43Å
721L92.7Very high89.6Confident55 Ų5559.9 Ų59.929%0.28832%0.319SS..SBendtrans-77.4141.5175.9-71.3172.8000111.3P413 L718 D719 A725 Y726P413-L721 HydrophobicContact CB-CD1 3.79Å; P413-L721 HydrophobicContact CG-CD1 3.78Å; L718-L721 HydrophobicContact CD2-CD1 4.25Å; L718-L721 PolarHBondContact O-N 3.24Å; D719-L721 VanDerWaalsContact C-N 3.33Å; L721-A725 HydrophobicContact CB-CB 4.23Å; L721-Y726 HydrophobicContact CB-CE2 3.86Å
722P89.3Confident87.3Confident78 Ų7863.7 Ų63.751%0.50636%0.359SS..  trans-68.5152.917430.2-35000111.1S724 A725P722-S724 PolarHBondContact O-N 3.45Å; P722-S724 VanDerWaalsContact O-N 3.08Å; P722-A725 HydrophobicContact CG-CB 4.32Å; P722-A725 VanDerWaalsContact O-CB 3.27Å; P722-A725 WeakPolarHBondContact O-CB 3.29Å; P722-A725 PolarHBondContact O-N 3.06Å
723S83.7Confident84.6Confident63 Ų6363.9 Ų63.944%0.44137%0.371SS..G310 helixtrans-56.9-27.4178.1-60.30000113.1A725 Y726 S727S723-A725 PolarHBondContact O-N 3.33Å; S723-Y726 PolarHBondContact O-N 3.49Å; S723-Y726 VanDerWaalsContact O-N 3.09Å; S723-S727 PolarHBondContact O-N 3.09Å
724S85.6Confident81.7Confident81 Ų8163.9 Ų63.957%0.56638%0.383SS*.G310 helixtrans-62.5-27.517556.50000113.6P722 Y726 S727P722-S724 PolarHBondContact O-N 3.45Å; P722-S724 VanDerWaalsContact O-N 3.08Å; S724-Y726 PolarHBondContact O-N 3.45Å; S724-S727 WeakPolarHBondContact CA-OG 3.45Å; S724-S727 PolarHBondContact O-N 2.71Å; S724-S727 VanDerWaalsContact O-N 3.16Å; S724-S727 PolarHBondContact O-OG 2.78Å
725A89.6Confident78.6Confident31 Ų3169.4 Ų69.426%0.25642%0.421SS..G310 helixtrans-67.7-16.8176.300000113.1P413 L721 P722 S723P413-A725 HydrophobicContact CG-CB 4.38Å; L721-A725 HydrophobicContact CB-CB 4.23Å; P722-A725 HydrophobicContact CG-CB 4.32Å; P722-A725 VanDerWaalsContact O-CB 3.27Å; P722-A725 WeakPolarHBondContact O-CB 3.29Å; P722-A725 PolarHBondContact O-N 3.06Å; S723-A725 PolarHBondContact O-N 3.33Å
726Y89.3Confident75.4Confident3 Ų375.7 Ų75.71%0.01246%0.464CS..G310 helixtrans-101.9-11.7176.7-60.4-85.1000112.3L411 P413 V414 F576 I580 Y589 L718 L721 S723 S724L411-Y726 WeakPolarHBondContact CD1-O 3.46Å; P413-Y726 HydrophobicContact CB-CD1 3.82Å; P413-Y726 HydrophobicContact CB-CE1 3.38Å; V414-Y726 HydrophobicContact CG2-CD1 4.34Å; F576-Y726 HydrophobicContact CZ-CE1 4.35Å; I580-Y726 HydrophobicContact CB-CD1 4.35Å; I580-Y726 HydrophobicContact CB-CD2 4.26Å; I580-Y726 HydrophobicContact CB-CG 3.97Å; I580-Y726 HydrophobicContact CD1-CD1 3.95Å; I580-Y726 HydrophobicContact CD1-CE1 4.34Å; I580-Y726 HydrophobicContact CD1-CG 4.41Å; I580-Y726 HydrophobicContact CG2-CD1 4.37Å; I580-Y726 HydrophobicContact CG2-CD2 3.89Å; I580-Y726 HydrophobicContact CG2-CE2 4.09Å; I580-Y726 HydrophobicContact CG2-CG 4.03Å; Y589-Y726 VanDerWaalsContact CE2-O 3.27Å; Y589-Y726 WeakPolarHBondContact CE2-O 3.35Å; Y589-Y726 PolarHBondContact OH-O 3.26Å; L718-Y726 HydrophobicContact CD2-CE1 4.49Å; L718-Y726 WeakPolarHBondContact CD2-OH 3.46Å; L718-Y726 PolarHBondContact O-OH 3.49Å; L721-Y726 HydrophobicContact CB-CE2 3.86Å; S723-Y726 PolarHBondContact O-N 3.49Å; S723-Y726 VanDerWaalsContact O-N 3.09Å; S724-Y726 PolarHBondContact O-N 3.45Å
727S86.9Confident72.4Confident36 Ų3677.9 Ų77.925%0.25248%0.48SS..  trans-83138.1179.368.40000111.8S723 S724S723-S727 PolarHBondContact O-N 3.09Å; S724-S727 WeakPolarHBondContact CA-OG 3.45Å; S724-S727 PolarHBondContact O-N 2.71Å; S724-S727 VanDerWaalsContact O-N 3.16Å; S724-S727 PolarHBondContact O-OG 2.78Å
728F86.4Confident69.1Low68 Ų6884.5 Ų84.530%0.29851%0.505SS..  trans-120.1123.1170.9179.3-94.1000109V408 L411 L730V408-F728 HydrophobicContact CG2-CB 3.82Å; L411-F728 HydrophobicContact CD1-CB 4.32Å; F728-L730 HydrophobicContact CE1-CD1 4.03Å
729R81.6Confident66.1Low202 Ų20292.6 Ų92.676%0.76254%0.543SS*.  trans-107.9135.4175.4-64.8-175177.8-171.9-1109.4T731R729-T731 PolarHBondContact O-N 3.25Å; R729-T731 VanDerWaalsContact O-N 3.11Å
730L78.5Confident63.1Low69 Ų6998.2 Ų98.236%0.36158%0.578SS.*  trans-63.8114.6167.6-96.976.7000108.5D400 R403 I404 F728 G732D400-L730 HydrophobicContact CB-CD2 4.29Å; R403-L730 HydrophobicContact CB-CD1 4.36Å; R403-L730 HydrophobicContact CB-CD2 4.5Å; I404-L730 HydrophobicContact CB-CD1 4.28Å; I404-L730 HydrophobicContact CD1-CD1 4Å; I404-L730 HydrophobicContact CG1-CD1 3.13Å; F728-L730 HydrophobicContact CE1-CD1 4.03Å; L730-G732 PolarHBondContact O-N 3.46Å
731T71.5Confident59.9Low122 Ų122104.6 Ų104.675%0.74859%0.594SS**  trans-68.6113.7160.5520000106.7R729 T733R729-T731 PolarHBondContact O-N 3.25Å; R729-T731 VanDerWaalsContact O-N 3.11Å; T731-T733 PolarHBondContact O-N 2.89Å
732G49.3Very low56.8Low81 Ų81108.7 Ų108.784%0.83562%0.616SS**  trans-53.3106.4-177.600000111.5L730 G734L730-G732 PolarHBondContact O-N 3.46Å; G732-G734 PolarHBondContact O-N 3.32Å
733T39Very low53.7Low111 Ų111114.3 Ų114.368%0.68163%0.633SS**  trans-83.7105.6162.848.40000107.7T731T731-T733 PolarHBondContact O-N 2.89Å
734G36.3Very low51.1Low67 Ų67118.4 Ų118.469%0.69165%0.648SS**SBendtrans63.165.9148.700000116.9G732G732-G734 PolarHBondContact O-N 3.32Å
735C29.8Very low48.2Very low129 Ų129119.5 Ų119.587%0.87266%0.656SS**  trans-122.985.1137.1-88.30000107.1S737C735-S737 PolarHBondContact O-N 3.38Å
736C28.8Very low45.2Very low132 Ų132126.5 Ų126.589%0.89269%0.685SS**  trans-61.575.7157-76.40000108.1R738C736-R738 PolarHBondContact O-N 2.82Å
737S31Very low42.2Very low88 Ų88133.7 Ų133.762%0.61572%0.724SS**  trans-71.8109.9152.279.40000104.9C735 Q739C735-S737 PolarHBondContact O-N 3.38Å; S737-Q739 PolarHBondContact O-N 3.48Å
738R25.1Very low39.3Very low249 Ų249140.5 Ų140.594%0.9475%0.752SS**  trans-47.979.5173.1-161.2-179.8-168.8-178.42.6110.3C736C736-R738 PolarHBondContact O-N 2.82Å
739Q29.9Very low36.3Very low170 Ų170144.4 Ų144.479%0.79478%0.776SS**  trans-93.1108.8169.8-94.4-175.3-9.900108S737 R741S737-Q739 PolarHBondContact O-N 3.48Å; Q739-R741 PolarHBondContact O-N 3.24Å
740T28.3Very low33.7Very low128 Ų128143.5 Ų143.579%0.78578%0.78SS**  trans-36.5119.9164.51.70000110.1N742T740-N742 PolarHBondContact O-N 3.21Å
741R25.9Very low31.3Very low233 Ų233146.9 Ų146.988%0.87980%0.804SS**  trans-64.878179.1-160-174.1-144.1168.24.3109.7Q739 K743Q739-R741 PolarHBondContact O-N 3.24Å; R741-K743 PolarHBondContact O-N 3.29Å
742N27Very low29Very low141 Ų141150.6 Ų150.675%0.75481%0.813SS**  trans-81.997.5162.6-82-0.3000107.7T740 I744T740-N742 PolarHBondContact O-N 3.21Å; N742-I744 PolarHBondContact O-N 3.48Å; N742-I744 VanDerWaalsContact O-N 3.09Å
743K24.5Very low27.8Very low196 Ų196152 Ų15285%0.85281%0.808SS**  trans-48.8110.4162.8-81.5174.1168.7-179.40108.2R741R741-K743 PolarHBondContact O-N 3.29Å
744I28.3Very low27.3Very low150 Ų150151.7 Ų151.777%0.76981%0.811SS**  trans-110114.2160.3-63.2176.2000105.2N742 M746N742-I744 PolarHBondContact O-N 3.48Å; N742-I744 VanDerWaalsContact O-N 3.09Å; I744-M746 PolarHBondContact O-N 3.42Å
745S25.1Very low26.9Very low103 Ų103158.2 Ų158.272%0.7282%0.824SS**  trans-55.4119175.946.50000110.3N747S745-N747 PolarHBondContact O-N 3.45Å
746M27.6Very low26.7Very low178 Ų178159.6 Ų159.688%0.87782%0.821SS**  trans-68.9116.7160.8-81.5-82.9177.900107I744 E748I744-M746 PolarHBondContact O-N 3.42Å; M746-E748 PolarHBondContact O-N 2.89Å; M746-E748 VanDerWaalsContact O-N 3.12Å
747N25.4Very low26.6Very low154 Ų154158.4 Ų158.482%0.82481%0.814SS**  trans-64.3106.4164.6-102.6-3.1000107.3S745 N749S745-N747 PolarHBondContact O-N 3.45Å; N747-N749 PolarHBondContact O-N 3.18Å; N747-N749 VanDerWaalsContact O-N 3.16Å
748E26.2Very low26.4Very low180 Ų180160.4 Ų160.484%0.84182%0.823SS**  trans-65.6100.3158.5-71.4173.3159.600107.2M746M746-E748 PolarHBondContact O-N 2.89Å; M746-E748 VanDerWaalsContact O-N 3.12Å
749N24Very low27.3Very low149 Ų149158.1 Ų158.180%0.79784%0.841SS**  trans-161.4134.8152.2-90.3-24.5000106.4N747N747-N749 PolarHBondContact O-N 3.18Å; N747-N749 VanDerWaalsContact O-N 3.16Å
750E26.1Very low27.2Very low184 Ų184157.5 Ų157.586%0.8684%0.843SS**SBendtrans85.580.4179.6-51.6-179174.500115.6
751T28.1Very low27.1Very low139 Ų139159.1 Ų159.185%0.85385%0.846SS**  -177.980.2109.423.20000110.4C753T751-C753 VanDerWaalsContact C-N 3.32Å; T751-C753 PolarHBondContact O-N 2.99Å
752E23.2Very low27.2Very low200 Ų200154.9 Ų154.994%0.93584%0.844SS**  trans-70.493.6148.3-79.8-174.9153.300107.6
753C24.6Very low27.2Very low110 Ų110155.8 Ų155.874%0.74385%0.849SS**  trans-154.9127.4154.1-1340000112.3T751T751-C753 VanDerWaalsContact C-N 3.32Å; T751-C753 PolarHBondContact O-N 2.99Å
754S27.9Very low27.4Very low106 Ų106153.3 Ų153.374%0.74185%0.849SS**  trans75.570.4160.565.40000118.1
755Q28.3Very low27.3Very low204 Ų204153.5 Ų153.595%0.95385%0.854SS**  trans-76.8106.8134.6-72.7-162.8-8.600108
756L24.5Very low27.5Very low157 Ų157157.1 Ų157.182%0.82286%0.864SS**  trans-131.1134.4165.9-150.288.6000107.8
757S28.1Very low27.4Very low107 Ų107155.5 Ų155.575%0.74886%0.863SS**  trans77.8124.3-179.969.40000116.1
758T26.2Very low27.6Very low130 Ų130155.6 Ų155.680%0.79887%0.866SS**  cis174.7165.81422.50000107.1
759P44.2Very low27.7Very low201 Ų201153.4 Ų153.4100%1.30587%0.869SS**  cis-98.60-4738-26.3000112.8

Retrieved 759 of 759 residues in 936.6 ms (Link to these results)

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