A0A087YLD3_POEFO Loading...

Solute carrier family 22 member 6

AlphaFold DB , UniProt , Accession A0A087YLD3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 582 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.3Low76.2Confident172 Ų17242.2 Ų42.285%0.84724%0.238SC*.  0136.80-63.8-179.4-176.300107.6D5 H322M1-D5 WeakPolarHBondContact CA-OD2 3.38Å; M1-D5 WeakPolarHBondContact CB-OD2 3.42Å; M1-H322 WeakPolarHBondContact CB-CE1 3.39Å
2G69.8Low76.8Confident26 Ų2639.3 Ų39.327%0.26823%0.225SC..  trans-101.6173-177.500000112.2T4 D5 H322G2-T4 PolarHBondContact O-N 2.69Å; G2-D5 PolarHBondContact N-OD2 3.18Å; G2-D5 WeakPolarHBondContact O-CB 2.78Å; G2-D5 PolarHBondContact O-N 2.93Å; G2-H322 PolarHBondContact O-ND1 3.44Å
3F76.2Confident77.3Confident0 Ų040.7 Ų40.70%023%0.227CC..Hα-helixtrans-58.7-27.3175.2-178.3-94000113.3D5 L6 L7 A282 R283 L319 M323F3-D5 VanDerWaalsContact C-N 3.31Å; F3-D5 PolarHBondContact O-N 3.23Å; F3-L6 HydrophobicContact CE2-CD2 4.48Å; F3-L6 WeakPolarHBondContact O-CB 3.26Å; F3-L6 PolarHBondContact O-N 2.64Å; F3-L7 HydrophobicContact CD1-CD1 4.02Å; F3-L7 HydrophobicContact CD1-CG 4.11Å; F3-L7 HydrophobicContact CE1-CD1 3.68Å; F3-L7 HydrophobicContact CE1-CD2 4Å; F3-L7 HydrophobicContact CE1-CG 3.69Å; F3-L7 HydrophobicContact CZ-CD2 4.24Å; F3-L7 HydrophobicContact CZ-CG 4.31Å; F3-L7 PolarHBondContact O-N 3.02Å; F3-L7 VanDerWaalsContact O-N 3.11Å; F3-A282 HydrophobicContact CE2-CB 4.15Å; F3-A282 HydrophobicContact CZ-CB 3.77Å; F3-R283 HydrophobicContact CD1-CG 3.73Å; F3-R283 VanDerWaalsContact CD1-NH1 3.33Å; F3-R283 HydrophobicContact CD2-CG 4.02Å; F3-R283 HydrophobicContact CE1-CG 3.82Å; F3-R283 HydrophobicContact CE2-CG 4.13Å; F3-R283 HydrophobicContact CG-CG 3.82Å; F3-R283 HydrophobicContact CZ-CG 4.04Å; F3-L319 HydrophobicContact CE2-CD1 4.43Å; F3-M323 HydrophobicContact CB-CG 4.42Å; F3-M323 HydrophobicContact CD2-CG 3.95Å; F3-M323 HydrophobicContact CD2-SD 3.61Å; F3-M323 HydrophobicContact CE2-SD 4.06Å
4T76.9Confident77.9Confident24 Ų2439.1 Ų39.115%0.14722%0.224CC..Hα-helixtrans-61.5-36.8173.625.50000113.4G2 L6 L7 D8 T226G2-T4 PolarHBondContact O-N 2.69Å; T4-L6 PolarHBondContact O-N 3.18Å; T4-L7 PolarHBondContact O-N 3.12Å; T4-D8 PolarHBondContact O-N 3.02Å; T4-T226 HydrophobicContact CG2-CG2 3.63Å
5D78.9Confident78.7Confident61 Ų6145.5 Ų45.533%0.32624%0.243SC..Hα-helixtrans-67.1-34.2179.2-53.9-29.6000110.2M1 G2 F3 D8 Q9M1-D5 WeakPolarHBondContact CA-OD2 3.38Å; M1-D5 WeakPolarHBondContact CB-OD2 3.42Å; G2-D5 PolarHBondContact N-OD2 3.18Å; G2-D5 WeakPolarHBondContact O-CB 2.78Å; G2-D5 PolarHBondContact O-N 2.93Å; F3-D5 VanDerWaalsContact C-N 3.31Å; F3-D5 PolarHBondContact O-N 3.23Å; D5-D8 PolarHBondContact O-N 3.34Å; D5-Q9 WeakPolarHBondContact O-CG 3.49Å; D5-Q9 PolarHBondContact O-N 3.34Å
6L81.6Confident79.4Confident0 Ų042.6 Ų42.60%023%0.228CC..Hα-helixtrans-68.6-40.3175.7-171147.7000111.5F3 T4 D8 Q9 V10 L298 L314 L319 H322F3-L6 HydrophobicContact CE2-CD2 4.48Å; F3-L6 WeakPolarHBondContact O-CB 3.26Å; F3-L6 PolarHBondContact O-N 2.64Å; T4-L6 PolarHBondContact O-N 3.18Å; L6-D8 VanDerWaalsContact C-N 3.32Å; L6-D8 PolarHBondContact O-N 3.24Å; L6-Q9 PolarHBondContact O-N 3.42Å; L6-V10 HydrophobicContact CD2-CG2 4.31Å; L6-V10 VanDerWaalsContact O-CG2 3.26Å; L6-V10 WeakPolarHBondContact O-CG2 3.48Å; L6-V10 PolarHBondContact O-N 3.13Å; L6-L298 HydrophobicContact CD2-CD1 3.71Å; L6-L298 HydrophobicContact CD2-CD2 3.63Å; L6-L298 HydrophobicContact CD2-CG 4.29Å; L6-L314 HydrophobicContact CD1-CD2 3.84Å; L6-L314 HydrophobicContact CD2-CD2 3.99Å; L6-L314 HydrophobicContact CG-CD2 3.97Å; L6-L319 HydrophobicContact CD1-CD1 3.85Å; L6-H322 HydrophobicContact CD1-CB 4.29Å
7L82.1Confident80Confident0 Ų040.1 Ų40.10%021%0.214CC..Hα-helixtrans-62.6-39172.2-72.4176.6000112.3F3 T4 Q9 V10 G11 G12 W223F3-L7 HydrophobicContact CD1-CD1 4.02Å; F3-L7 HydrophobicContact CD1-CG 4.11Å; F3-L7 HydrophobicContact CE1-CD1 3.68Å; F3-L7 HydrophobicContact CE1-CD2 4Å; F3-L7 HydrophobicContact CE1-CG 3.69Å; F3-L7 HydrophobicContact CZ-CD2 4.24Å; F3-L7 HydrophobicContact CZ-CG 4.31Å; F3-L7 PolarHBondContact O-N 3.02Å; F3-L7 VanDerWaalsContact O-N 3.11Å; T4-L7 PolarHBondContact O-N 3.12Å; L7-Q9 VanDerWaalsContact C-N 3.35Å; L7-V10 PolarHBondContact O-N 3.3Å; L7-G11 PolarHBondContact O-N 3.41Å; L7-G12 WeakPolarHBondContact O-CA 3.14Å; L7-G12 PolarHBondContact O-N 3.31Å; L7-W223 HydrophobicContact CD2-CE3 4.27Å
8D83Confident80.6Confident67 Ų6744.6 Ų44.636%0.35823%0.228SC..Hα-helixtrans-64.2-40.3176.1-77.7-19.4000111.3T4 D5 L6 V10 G11 G12 P225T4-D8 PolarHBondContact O-N 3.02Å; D5-D8 PolarHBondContact O-N 3.34Å; L6-D8 VanDerWaalsContact C-N 3.32Å; L6-D8 PolarHBondContact O-N 3.24Å; D8-V10 VanDerWaalsContact C-N 3.34Å; D8-V10 PolarHBondContact O-N 3.06Å; D8-G11 PolarHBondContact O-N 3.36Å; D8-G12 PolarHBondContact O-N 2.85Å; D8-P225 WeakPolarHBondContact OD1-CB 3.49Å; D8-P225 VanDerWaalsContact OD1-CG 3.23Å; D8-P225 WeakPolarHBondContact OD1-CG 3.12Å
9Q81.3Confident81.2Confident90 Ų9046.3 Ų46.342%0.42124%0.237SC..Hα-helixtrans-63.1-37.4173.4-70.8175.113.500112.8D5 L6 L7 G11 V310D5-Q9 WeakPolarHBondContact O-CG 3.49Å; D5-Q9 PolarHBondContact O-N 3.34Å; L6-Q9 PolarHBondContact O-N 3.42Å; L7-Q9 VanDerWaalsContact C-N 3.35Å; Q9-G11 PolarHBondContact O-N 2.83Å; Q9-G11 VanDerWaalsContact O-N 3.14Å; Q9-V310 HydrophobicContact CB-CG1 4.2Å; Q9-V310 WeakPolarHBondContact O-CG2 3.45Å
10V79.6Confident81.6Confident0 Ų044.1 Ų44.10%023%0.225CC..THydrogen-bonded Turntrans-74.72.8179.3175.80000112.9L6 L7 D8 L298 V301 A302 N305 L314L6-V10 HydrophobicContact CD2-CG2 4.31Å; L6-V10 VanDerWaalsContact O-CG2 3.26Å; L6-V10 WeakPolarHBondContact O-CG2 3.48Å; L6-V10 PolarHBondContact O-N 3.13Å; L7-V10 PolarHBondContact O-N 3.3Å; D8-V10 VanDerWaalsContact C-N 3.34Å; D8-V10 PolarHBondContact O-N 3.06Å; V10-L298 HydrophobicContact CG2-CD2 4.38Å; V10-V301 HydrophobicContact CG1-CB 4.05Å; V10-V301 HydrophobicContact CG1-CG1 3.75Å; V10-A302 HydrophobicContact CG1-CB 3.97Å; V10-N305 PolarHBondContact O-ND2 3.22Å; V10-L314 HydrophobicContact CG2-CD1 3.42Å; V10-L314 VanDerWaalsContact CG2-CD1 3.42Å
11G75.3Confident82.1Confident24 Ų2442 Ų4225%0.24721%0.214CC..THydrogen-bonded Turntrans116.810.317500000114.5L7 D8 Q9 F13 G14L7-G11 PolarHBondContact O-N 3.41Å; D8-G11 PolarHBondContact O-N 3.36Å; Q9-G11 PolarHBondContact O-N 2.83Å; Q9-G11 VanDerWaalsContact O-N 3.14Å; G11-F13 PolarHBondContact O-N 2.98Å; G11-G14 PolarHBondContact O-N 3.45Å
12G84.3Confident83.9Confident8 Ų837 Ų378%0.08219%0.191CC..SBendtrans56.4-130.8173.900000112.5L7 D8 G14 Q17L7-G12 WeakPolarHBondContact O-CA 3.14Å; L7-G12 PolarHBondContact O-N 3.31Å; D8-G12 PolarHBondContact O-N 2.85Å; G12-G14 PolarHBondContact O-N 3.37Å; G12-Q17 WeakPolarHBondContact O-CG 3.43Å; G12-Q17 PolarHBondContact O-NE2 3.43Å; G12-Q17 PolarHBondContact O-OE1 3.26Å
13F82.8Confident85Confident57 Ų5738 Ų3825%0.2519%0.19CC..SBendtrans-83.766.1174.5-159.2-111.5000111.6G11 Q17 W18 V21 I224 T228 V232G11-F13 PolarHBondContact O-N 2.98Å; F13-Q17 HydrophobicContact CD2-CB 3.87Å; F13-Q17 HydrophobicContact CE2-CB 4.11Å; F13-W18 AromaticContact CD1-CD1 3.93Å; F13-W18 AromaticContact CD1-NE1 3.59Å; F13-W18 AromaticContact CE1-CD1 3.71Å; F13-W18 AromaticContact CE1-CD2 3.93Å; F13-W18 HydrophobicContact CE1-CD2 3.93Å; F13-W18 AromaticContact CE1-CE2 3.41Å; F13-W18 VanDerWaalsContact CE1-CE2 3.41Å; F13-W18 HydrophobicContact CE1-CG 4.13Å; F13-W18 AromaticContact CE1-CZ2 3.83Å; F13-W18 HydrophobicContact CE1-CZ2 3.83Å; F13-W18 AromaticContact CE1-NE1 3.26Å; F13-W18 VanDerWaalsContact CE1-NE1 3.26Å; F13-W18 HydrophobicContact CZ-CD2 4.3Å; F13-V21 HydrophobicContact CE2-CG2 4.44Å; F13-I224 HydrophobicContact CD2-CG2 4.27Å; F13-I224 HydrophobicContact CE2-CG2 4.03Å; F13-T228 HydrophobicContact CB-CG2 3.88Å; F13-T228 HydrophobicContact CD1-CG2 4.45Å; F13-T228 HydrophobicContact CD2-CG2 4.19Å; F13-T228 HydrophobicContact CG-CG2 3.94Å; F13-V232 HydrophobicContact CE2-CG2 3.62Å; F13-V232 HydrophobicContact CZ-CG2 3.77Å
14G85.9Confident85.7Confident18 Ų1838.4 Ų38.419%0.18619%0.191CC..  trans-86.7-164.2-177.200000114.5G11 G12 Y16 Q17 W18G11-G14 PolarHBondContact O-N 3.45Å; G12-G14 PolarHBondContact O-N 3.37Å; G14-Y16 PolarHBondContact O-N 3.22Å; G14-Q17 VanDerWaalsContact N-OE1 3.16Å; G14-Q17 PolarHBondContact O-N 2.84Å; G14-W18 PolarHBondContact O-N 2.93Å; G14-W18 VanDerWaalsContact O-N 3.13Å
15R88.9Confident86.4Confident135 Ų13537.3 Ų37.351%0.50919%0.185SC..Hα-helixtrans-63.7-41.3-177.2-66.7-177.6178.8-166.1-1.7112.5W18 I19 N305 R306R15-W18 PolarHBondContact O-N 3.13Å; R15-I19 VanDerWaalsContact O-CG1 3.3Å; R15-I19 WeakPolarHBondContact O-CG1 3.4Å; R15-I19 PolarHBondContact O-N 3.3Å; R15-N305 PolarHBondContact N-OD1 3.27Å; R15-R306 VanDerWaalsContact NH1-NH2 3.15Å
16Y90Very high86.9Confident0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-60.9-47.5178.1176.4-98.6000111G14 W18 I19 H20 W223 W277 A279 V301 I304 N305G14-Y16 PolarHBondContact O-N 3.22Å; Y16-W18 VanDerWaalsContact C-N 3.35Å; Y16-W18 PolarHBondContact O-N 3.2Å; Y16-I19 PolarHBondContact O-N 3.33Å; Y16-H20 HydrophobicContact CE1-CB 4.2Å; Y16-H20 WeakPolarHBondContact O-CB 3.47Å; Y16-H20 PolarHBondContact O-N 3.38Å; Y16-W223 HydrophobicContact CE1-CD2 4.06Å; Y16-W223 HydrophobicContact CE1-CE3 4.01Å; Y16-W223 HydrophobicContact CE1-CG 4.39Å; Y16-W277 HydrophobicContact CD2-CH2 4.07Å; Y16-W277 AromaticContact CE2-CH2 3.78Å; Y16-W277 HydrophobicContact CE2-CH2 3.78Å; Y16-W277 HydrophobicContact CE2-CZ2 4.34Å; Y16-W277 HydrophobicContact CE2-CZ3 4.31Å; Y16-A279 WeakPolarHBondContact OH-CB 3.41Å; Y16-V301 HydrophobicContact CD1-CB 4.16Å; Y16-V301 HydrophobicContact CD1-CG1 3.6Å; Y16-V301 HydrophobicContact CD1-CG2 3.5Å; Y16-V301 VanDerWaalsContact CD1-CG2 3.5Å; Y16-V301 HydrophobicContact CD2-CG2 4.15Å; Y16-V301 HydrophobicContact CE1-CG1 4.35Å; Y16-V301 HydrophobicContact CE1-CG2 3.46Å; Y16-V301 VanDerWaalsContact CE1-CG2 3.46Å; Y16-V301 HydrophobicContact CE2-CG2 4.11Å; Y16-V301 HydrophobicContact CG-CB 4.32Å; Y16-V301 HydrophobicContact CG-CG1 3.88Å; Y16-V301 HydrophobicContact CG-CG2 3.85Å; Y16-I304 HydrophobicContact CD2-CD1 3.7Å; Y16-I304 HydrophobicContact CD2-CG2 4.41Å; Y16-I304 HydrophobicContact CE2-CD1 4.3Å; Y16-N305 PolarHBondContact N-OD1 3.42Å
17Q90.4Very high87.3Confident0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-61.8-42.6-178.8-70.978.42.100111.2G12 F13 G14 H20 V21 W223 I224 N305G12-Q17 WeakPolarHBondContact O-CG 3.43Å; G12-Q17 PolarHBondContact O-NE2 3.43Å; G12-Q17 PolarHBondContact O-OE1 3.26Å; F13-Q17 HydrophobicContact CD2-CB 3.87Å; F13-Q17 HydrophobicContact CE2-CB 4.11Å; G14-Q17 VanDerWaalsContact N-OE1 3.16Å; G14-Q17 PolarHBondContact O-N 2.84Å; Q17-H20 PolarHBondContact O-N 3.19Å; Q17-V21 VanDerWaalsContact O-CB 3.29Å; Q17-V21 WeakPolarHBondContact O-CB 3.43Å; Q17-V21 WeakPolarHBondContact O-CG2 3.32Å; Q17-V21 PolarHBondContact O-N 3.46Å; Q17-W223 WeakPolarHBondContact CG-O 3.44Å; Q17-I224 HydrophobicContact CB-CG2 4.45Å; Q17-I224 HydrophobicContact CG-CG2 4.43Å; Q17-N305 PolarHBondContact OE1-ND2 3.39Å; Q17-N305 PolarHBondContact OE1-OD1 3.2Å
18W90.4Very high87.4Confident121 Ų12138.2 Ų38.246%0.45819%0.193SC..Hα-helixtrans-59.9-51.5174.3-97.4110.2000112.8F13 G14 R15 Y16 H20 V21 I22 L235F13-W18 AromaticContact CD1-CD1 3.93Å; F13-W18 AromaticContact CD1-NE1 3.59Å; F13-W18 AromaticContact CE1-CD1 3.71Å; F13-W18 AromaticContact CE1-CD2 3.93Å; F13-W18 HydrophobicContact CE1-CD2 3.93Å; F13-W18 AromaticContact CE1-CE2 3.41Å; F13-W18 VanDerWaalsContact CE1-CE2 3.41Å; F13-W18 HydrophobicContact CE1-CG 4.13Å; F13-W18 AromaticContact CE1-CZ2 3.83Å; F13-W18 HydrophobicContact CE1-CZ2 3.83Å; F13-W18 AromaticContact CE1-NE1 3.26Å; F13-W18 VanDerWaalsContact CE1-NE1 3.26Å; F13-W18 HydrophobicContact CZ-CD2 4.3Å; G14-W18 PolarHBondContact O-N 2.93Å; G14-W18 VanDerWaalsContact O-N 3.13Å; R15-W18 PolarHBondContact O-N 3.13Å; Y16-W18 VanDerWaalsContact C-N 3.35Å; Y16-W18 PolarHBondContact O-N 3.2Å; W18-H20 VanDerWaalsContact C-N 3.33Å; W18-H20 PolarHBondContact O-N 2.79Å; W18-V21 PolarHBondContact O-N 2.83Å; W18-I22 HydrophobicContact CE3-CD1 3.78Å; W18-I22 HydrophobicContact CE3-CG1 4.15Å; W18-I22 HydrophobicContact CZ3-CD1 4.24Å; W18-I22 HydrophobicContact CZ3-CG1 4.49Å; W18-I22 WeakPolarHBondContact O-CB 3.4Å; W18-I22 VanDerWaalsContact O-CG1 3.31Å; W18-I22 WeakPolarHBondContact O-CG1 3.32Å; W18-I22 PolarHBondContact O-N 2.71Å; W18-L235 HydrophobicContact CZ3-CD2 4.09Å
19I91.7Very high87.5Confident77 Ų7736.6 Ų36.640%0.39518%0.184SC..Hα-helixtrans-60.9-45.5179.1-67.1166.8000110.1R15 Y16 I22 L23 W277R15-I19 VanDerWaalsContact O-CG1 3.3Å; R15-I19 WeakPolarHBondContact O-CG1 3.4Å; R15-I19 PolarHBondContact O-N 3.3Å; Y16-I19 PolarHBondContact O-N 3.33Å; I19-I22 PolarHBondContact O-N 3.49Å; I19-L23 HydrophobicContact CG2-CD1 3.62Å; I19-L23 HydrophobicContact CG2-CG 4.24Å; I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 2.79Å; I19-W277 HydrophobicContact CG2-CH2 3.68Å; I19-W277 HydrophobicContact CG2-CZ2 4.38Å; I19-W277 HydrophobicContact CG2-CZ3 4.12Å
20H90.5Very high87.7Confident1 Ų133.4 Ų33.41%0.00517%0.17CC..Hα-helixtrans-63-46.4-179.2-171.375.7000112.1Y16 Q17 W18 L23 I24 W223Y16-H20 HydrophobicContact CE1-CB 4.2Å; Y16-H20 WeakPolarHBondContact O-CB 3.47Å; Y16-H20 PolarHBondContact O-N 3.38Å; Q17-H20 PolarHBondContact O-N 3.19Å; W18-H20 VanDerWaalsContact C-N 3.33Å; W18-H20 PolarHBondContact O-N 2.79Å; H20-L23 PolarHBondContact O-N 3.4Å; H20-I24 VanDerWaalsContact CE1-CD1 3.44Å; H20-I24 WeakPolarHBondContact CE1-CD1 3.47Å; H20-I24 WeakPolarHBondContact NE2-CD1 2.94Å; H20-I24 WeakPolarHBondContact O-CG1 3.27Å; H20-I24 PolarHBondContact O-N 3.26Å; H20-W223 AromaticContact NE2-CD1 3.51Å
21V91.1Very high87.7Confident0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-63.1-44.8177.6166.20000111.4F13 Q17 W18 I24 S25 I224 V232 L235F13-V21 HydrophobicContact CE2-CG2 4.44Å; Q17-V21 VanDerWaalsContact O-CB 3.29Å; Q17-V21 WeakPolarHBondContact O-CB 3.43Å; Q17-V21 WeakPolarHBondContact O-CG2 3.32Å; Q17-V21 PolarHBondContact O-N 3.46Å; W18-V21 PolarHBondContact O-N 2.83Å; V21-I24 PolarHBondContact O-N 3.45Å; V21-S25 WeakPolarHBondContact O-CB 3.34Å; V21-S25 PolarHBondContact O-N 3.02Å; V21-S25 PolarHBondContact O-OG 3.44Å; V21-I224 HydrophobicContact CG2-CG2 3.97Å; V21-V232 HydrophobicContact CB-CG1 4.46Å; V21-V232 HydrophobicContact CG1-CG1 3.68Å; V21-V232 HydrophobicContact CG1-CG2 4.29Å; V21-V232 HydrophobicContact CG2-CG1 3.85Å; V21-V232 HydrophobicContact CG2-CG2 4.11Å; V21-L235 HydrophobicContact CG1-CD2 4.36Å
22I91.6Very high87.7Confident69 Ų6932.6 Ų32.635%0.35416%0.16SC..Hα-helixtrans-63.7-48.9178.6-69.5169.2000110.2W18 I19 I24 S25 L26W18-I22 HydrophobicContact CE3-CD1 3.78Å; W18-I22 HydrophobicContact CE3-CG1 4.15Å; W18-I22 HydrophobicContact CZ3-CD1 4.24Å; W18-I22 HydrophobicContact CZ3-CG1 4.49Å; W18-I22 WeakPolarHBondContact O-CB 3.4Å; W18-I22 VanDerWaalsContact O-CG1 3.31Å; W18-I22 WeakPolarHBondContact O-CG1 3.32Å; W18-I22 PolarHBondContact O-N 2.71Å; I19-I22 PolarHBondContact O-N 3.49Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 2.79Å; I22-S25 PolarHBondContact O-N 2.92Å; I22-S25 VanDerWaalsContact O-N 3.08Å; I22-L26 WeakPolarHBondContact O-CB 3.27Å; I22-L26 PolarHBondContact O-N 2.89Å
23L92.2Very high87.4Confident47 Ų4732.2 Ų32.225%0.24616%0.156CC..Hα-helixtrans-63.3-31.6-178.3-73.8174.4000113.3I19 H20 P27 Y274 W277 Y278I19-L23 HydrophobicContact CG2-CD1 3.62Å; I19-L23 HydrophobicContact CG2-CG 4.24Å; I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 2.79Å; H20-L23 PolarHBondContact O-N 3.4Å; L23-P27 WeakPolarHBondContact O-CD 3.3Å; L23-Y274 HydrophobicContact CB-CE2 4.3Å; L23-Y274 HydrophobicContact CD2-CD2 4.49Å; L23-Y274 HydrophobicContact CD2-CE2 4.26Å; L23-Y274 PolarHBondContact O-OH 3.05Å; L23-Y274 VanDerWaalsContact O-OH 3.05Å; L23-W277 HydrophobicContact CD1-CE3 3.82Å; L23-W277 HydrophobicContact CD1-CH2 4.4Å; L23-W277 HydrophobicContact CD1-CZ3 3.68Å; L23-Y278 HydrophobicContact CB-CE1 3.93Å; L23-Y278 PolarHBondContact O-OH 3.23Å
24I91.6Very high87.6Confident7 Ų729.6 Ų29.64%0.03614%0.144CC..Hα-helixtrans-82.7-26.8174.9-65.3170.2000111.7H20 V21 I22 P27 G216 L219 K220 Y278H20-I24 VanDerWaalsContact CE1-CD1 3.44Å; H20-I24 WeakPolarHBondContact CE1-CD1 3.47Å; H20-I24 WeakPolarHBondContact NE2-CD1 2.94Å; H20-I24 WeakPolarHBondContact O-CG1 3.27Å; H20-I24 PolarHBondContact O-N 3.26Å; V21-I24 PolarHBondContact O-N 3.45Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 2.79Å; I24-P27 WeakPolarHBondContact O-CD 3.43Å; I24-G216 WeakPolarHBondContact CG2-O 3.33Å; I24-L219 HydrophobicContact CD1-CB 4.32Å; I24-L219 HydrophobicContact CD1-CD2 3.81Å; I24-L219 HydrophobicContact CD1-CG 4.13Å; I24-K220 HydrophobicContact CB-CD 4.03Å; I24-K220 HydrophobicContact CB-CG 3.96Å; I24-K220 HydrophobicContact CD1-CG 3.95Å; I24-K220 HydrophobicContact CG2-CD 3.75Å; I24-K220 HydrophobicContact CG2-CG 3.76Å; I24-Y278 HydrophobicContact CD1-CE1 4.42Å; I24-Y278 HydrophobicContact CG1-CD1 4.34Å; I24-Y278 HydrophobicContact CG1-CE1 3.69Å; I24-Y278 HydrophobicContact CG1-CE2 4.25Å
25S90.6Very high87.6Confident1 Ų128.8 Ų28.81%0.00714%0.136CC..Hα-helixtrans-84.7-24.8-179.2-550000113.3V21 I22 G28 K220 T236V21-S25 WeakPolarHBondContact O-CB 3.34Å; V21-S25 PolarHBondContact O-N 3.02Å; V21-S25 PolarHBondContact O-OG 3.44Å; I22-S25 PolarHBondContact O-N 2.92Å; I22-S25 VanDerWaalsContact O-N 3.08Å; S25-G28 VanDerWaalsContact O-CA 3.28Å; S25-G28 WeakPolarHBondContact O-CA 3.41Å; S25-G28 PolarHBondContact O-N 3.2Å; S25-K220 PolarHBondContact OG-NZ 3.21Å; S25-T236 PolarHBondContact OG-OG1 3.17Å
26L90.9Very high87.5Confident64 Ų6422.5 Ų22.534%0.33511%0.112SC..THydrogen-bonded Turntrans-59.4-43178-171.2148.5000113I22 G28 L29 F271I22-L26 WeakPolarHBondContact O-CB 3.27Å; I22-L26 PolarHBondContact O-N 2.89Å; L26-G28 PolarHBondContact O-N 3.46Å; L26-G28 VanDerWaalsContact O-N 3.15Å; L26-L29 HydrophobicContact CG-CD1 4.41Å; L26-L29 WeakPolarHBondContact O-CB 3.39Å; L26-L29 PolarHBondContact O-N 3.24Å; L26-L29 VanDerWaalsContact O-N 3.08Å; L26-F271 HydrophobicContact CD2-CD1 4.27Å; L26-F271 HydrophobicContact CD2-CE1 3.27Å; L26-F271 HydrophobicContact CD2-CZ 3.61Å
27P89.2Confident87.4Confident1 Ų122.5 Ų22.51%0.00611%0.112CC..Hα-helixtrans-58.7-23.3168.8-27.236.1000114.9L23 I24 L29 M30 T31 Y179 F271 Y274L23-P27 WeakPolarHBondContact O-CD 3.3Å; I24-P27 WeakPolarHBondContact O-CD 3.43Å; P27-L29 PolarHBondContact O-N 3.24Å; P27-M30 PolarHBondContact O-N 2.66Å; P27-M30 VanDerWaalsContact O-N 3.15Å; P27-T31 PolarHBondContact O-N 3.41Å; P27-T31 PolarHBondContact O-OG1 2.81Å; P27-Y179 HydrophobicContact CB-CE1 3.77Å; P27-Y179 WeakPolarHBondContact CB-OH 3.5Å; P27-Y179 HydrophobicContact CG-CE1 4.04Å; P27-Y179 WeakPolarHBondContact CG-OH 3.42Å; P27-F271 VanDerWaalsContact CA-CE2 3.47Å; P27-F271 HydrophobicContact CB-CD2 3.51Å; P27-F271 HydrophobicContact CB-CE2 3.79Å; P27-F271 HydrophobicContact CB-CG 4.08Å; P27-F271 HydrophobicContact CB-CZ 4.5Å; P27-F271 HydrophobicContact CG-CB 4.09Å; P27-F271 HydrophobicContact CG-CD1 4.09Å; P27-F271 HydrophobicContact CG-CD2 3.64Å; P27-F271 HydrophobicContact CG-CE1 4.43Å; P27-F271 HydrophobicContact CG-CE2 4.08Å; P27-F271 HydrophobicContact CG-CG 3.67Å; P27-F271 HydrophobicContact CG-CZ 4.44Å; P27-Y274 WeakPolarHBondContact CD-OH 3.17Å; P27-Y274 VanDerWaalsContact CG-OH 3.27Å; P27-Y274 WeakPolarHBondContact CG-OH 3.45Å
28G83.9Confident87.4Confident15 Ų1522.6 Ų22.616%0.15511%0.113CC..Hα-helixtrans-58.6-28.5173.900000113.4S25 L26 T31 A32S25-G28 VanDerWaalsContact O-CA 3.28Å; S25-G28 WeakPolarHBondContact O-CA 3.41Å; S25-G28 PolarHBondContact O-N 3.2Å; L26-G28 PolarHBondContact O-N 3.46Å; L26-G28 VanDerWaalsContact O-N 3.15Å; G28-T31 PolarHBondContact O-N 3.2Å; G28-A32 PolarHBondContact O-N 3.29Å
29L86.4Confident87.3Confident33 Ų3317.4 Ų17.417%0.1739%0.094CC..Hα-helixtrans-60.7-46174.5-67.1163.1000111.1L26 P27 S33 F239 F242 G243 I246L26-L29 HydrophobicContact CG-CD1 4.41Å; L26-L29 WeakPolarHBondContact O-CB 3.39Å; L26-L29 PolarHBondContact O-N 3.24Å; L26-L29 VanDerWaalsContact O-N 3.08Å; P27-L29 PolarHBondContact O-N 3.24Å; L29-S33 PolarHBondContact O-OG 3.01Å; L29-F239 HydrophobicContact CD1-CD1 4.04Å; L29-F239 HydrophobicContact CD1-CE1 4.47Å; L29-F239 HydrophobicContact CD2-CB 4.42Å; L29-F239 HydrophobicContact CD2-CD1 3.98Å; L29-F239 VanDerWaalsContact CD2-O 3.24Å; L29-F239 WeakPolarHBondContact CD2-O 3.21Å; L29-F239 HydrophobicContact CG-CB 4.47Å; L29-F239 HydrophobicContact CG-CD1 3.83Å; L29-F242 HydrophobicContact CD2-CB 3.83Å; L29-G243 WeakPolarHBondContact O-CA 3.34Å; L29-I246 HydrophobicContact CD2-CD1 3.98Å
30M85.4Confident87.2Confident24 Ų2414 Ų1412%0.1188%0.076CC..Hα-helixtrans-81.7-28.2-178.4-60.9-63.893.400112.3P27 A32 S33 Q34 I246 P267 F271P27-M30 PolarHBondContact O-N 2.66Å; P27-M30 VanDerWaalsContact O-N 3.15Å; M30-A32 VanDerWaalsContact C-N 3.34Å; M30-A32 PolarHBondContact O-N 3Å; M30-S33 VanDerWaalsContact O-CB 3.24Å; M30-S33 WeakPolarHBondContact O-CB 3.33Å; M30-S33 PolarHBondContact O-N 2.85Å; M30-Q34 WeakPolarHBondContact O-CG 3.48Å; M30-Q34 PolarHBondContact O-N 2.9Å; M30-I246 HydrophobicContact CE-CG2 4.07Å; M30-P267 HydrophobicContact CG-CB 4.31Å; M30-P267 HydrophobicContact SD-CG 4.33Å; M30-F271 HydrophobicContact CB-CE2 4.27Å; M30-F271 HydrophobicContact CG-CE2 3.99Å; M30-F271 HydrophobicContact CG-CZ 4.23Å
31T78.6Confident87.2Confident6 Ų614 Ų144%0.0378%0.076CC..Hα-helixtrans-63.3-40177.4-56.80000111.5P27 G28 S33 Q34 L209 I213P27-T31 PolarHBondContact O-N 3.41Å; P27-T31 PolarHBondContact O-OG1 2.81Å; G28-T31 PolarHBondContact O-N 3.2Å; T31-S33 VanDerWaalsContact C-N 3.29Å; T31-S33 PolarHBondContact O-N 2.94Å; T31-Q34 PolarHBondContact O-N 2.88Å; T31-L209 HydrophobicContact CG2-CD1 3.42Å; T31-L209 VanDerWaalsContact CG2-CD1 3.42Å; T31-L209 HydrophobicContact CG2-CD2 4.39Å; T31-L209 HydrophobicContact CG2-CG 3.89Å; T31-I213 HydrophobicContact CG2-CD1 3.75Å; T31-I213 HydrophobicContact CG2-CG1 3.59Å
32A75.2Confident87.1Confident0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-61.1-41.8174.100000111.9G28 M30 Q34 N35 F240G28-A32 PolarHBondContact O-N 3.29Å; M30-A32 VanDerWaalsContact C-N 3.34Å; M30-A32 PolarHBondContact O-N 3Å; A32-Q34 VanDerWaalsContact C-N 3.27Å; A32-Q34 PolarHBondContact O-N 3.25Å; A32-N35 PolarHBondContact O-N 2.94Å; A32-F240 HydrophobicContact CB-CB 4.42Å; A32-F240 HydrophobicContact CB-CD1 3.87Å; A32-F240 HydrophobicContact CB-CD2 3.5Å; A32-F240 HydrophobicContact CB-CE1 3.92Å; A32-F240 HydrophobicContact CB-CE2 3.57Å; A32-F240 HydrophobicContact CB-CG 3.67Å; A32-F240 HydrophobicContact CB-CZ 3.77Å; A32-F240 WeakPolarHBondContact CB-O 3.43Å
33S79Confident86.8Confident0 Ų010.7 Ų10.70%06%0.06CC..Hα-helixtrans-57.1-41.5177.4-51.40000111.5L29 M30 T31 N35 L36 L37 G243 L247L29-S33 PolarHBondContact O-OG 3.01Å; M30-S33 VanDerWaalsContact O-CB 3.24Å; M30-S33 WeakPolarHBondContact O-CB 3.33Å; M30-S33 PolarHBondContact O-N 2.85Å; T31-S33 VanDerWaalsContact C-N 3.29Å; T31-S33 PolarHBondContact O-N 2.94Å; S33-N35 PolarHBondContact O-N 3.25Å; S33-L36 PolarHBondContact O-N 3.37Å; S33-L37 WeakPolarHBondContact O-CA 3.42Å; S33-L37 VanDerWaalsContact O-CB 3.26Å; S33-L37 WeakPolarHBondContact O-CB 3.48Å; S33-L37 PolarHBondContact O-N 2.81Å; S33-G243 PolarHBondContact OG-O 2.97Å; S33-L247 WeakPolarHBondContact O-CD2 3.5Å
34Q85.4Confident86.5Confident3 Ų39.8 Ų9.81%0.0146%0.055CC..Hα-helixtrans-63.4-36.7-177.5-67.4-70.4-700114.5M30 T31 A32 L36 Y151 L182 L209 V264 C265M30-Q34 WeakPolarHBondContact O-CG 3.48Å; M30-Q34 PolarHBondContact O-N 2.9Å; T31-Q34 PolarHBondContact O-N 2.88Å; A32-Q34 VanDerWaalsContact C-N 3.27Å; A32-Q34 PolarHBondContact O-N 3.25Å; Q34-L36 VanDerWaalsContact C-N 3.34Å; Q34-L36 PolarHBondContact O-N 3.38Å; Q34-Y151 WeakPolarHBondContact CB-OH 3.46Å; Q34-Y151 PolarHBondContact O-OH 2.65Å; Q34-L182 HydrophobicContact CG-CD2 4.38Å; Q34-L209 HydrophobicContact CB-CD1 3.77Å; Q34-L209 HydrophobicContact CG-CD1 4.11Å; Q34-V264 HydrophobicContact CG-CG1 4.3Å; Q34-C265 PolarHBondContact NE2-SG 3.14Å
35N85.8Confident86.3Confident1 Ų19.7 Ų9.71%0.0055%0.054CC..Hα-helixtrans-68.4-33.8-179.8-79.1-28000112.8A32 S33 Q148 Y151 L209A32-N35 PolarHBondContact O-N 2.94Å; S33-N35 PolarHBondContact O-N 3.25Å; N35-Q148 PolarHBondContact O-NE2 3.41Å; N35-Y151 VanDerWaalsContact OD1-CE1 3.31Å; N35-Y151 WeakPolarHBondContact OD1-CE1 3.45Å; N35-Y151 PolarHBondContact OD1-OH 2.82Å; N35-L209 WeakPolarHBondContact OD1-CD2 3.46Å
36L87.3Confident86Confident2 Ų213.1 Ų13.11%0.018%0.075CC..Hα-helixtrans-107.30.5-174.7-61.7169.1000112.5S33 Q34 N38 N39 Q244 L247 A367S33-L36 PolarHBondContact O-N 3.37Å; Q34-L36 VanDerWaalsContact C-N 3.34Å; Q34-L36 PolarHBondContact O-N 3.38Å; L36-N38 PolarHBondContact O-N 3.41Å; L36-N39 WeakPolarHBondContact O-CB 3.28Å; L36-N39 PolarHBondContact O-N 2.72Å; L36-N39 VanDerWaalsContact O-N 3.1Å; L36-Q244 HydrophobicContact CD1-CB 4.46Å; L36-Q244 HydrophobicContact CD1-CG 3.53Å; L36-Q244 VanDerWaalsContact CD1-NE2 3.32Å; L36-L247 HydrophobicContact CB-CD2 4.05Å; L36-A367 HydrophobicContact CD2-CB 4.01Å
37L89.3Confident85.9Confident0 Ų010.7 Ų10.70%06%0.062CC..THydrogen-bonded Turntrans-54.8-37.3180-173.455.4000112.7S33 N39 F40 V41 L247 L260 V264S33-L37 WeakPolarHBondContact O-CA 3.42Å; S33-L37 VanDerWaalsContact O-CB 3.26Å; S33-L37 WeakPolarHBondContact O-CB 3.48Å; S33-L37 PolarHBondContact O-N 2.81Å; L37-N39 PolarHBondContact O-N 3.2Å; L37-F40 PolarHBondContact O-N 3.46Å; L37-V41 HydrophobicContact CD1-CG2 3.76Å; L37-V41 HydrophobicContact CG-CG2 3.72Å; L37-V41 PolarHBondContact O-N 3.25Å; L37-L247 HydrophobicContact CD1-CD1 3.74Å; L37-L260 HydrophobicContact CD1-CD2 4Å; L37-L260 HydrophobicContact CD1-CG 3.94Å; L37-V264 HydrophobicContact CD1-CG2 4.3Å
38N89.4Confident85.9Confident3 Ų312.6 Ų12.62%0.0167%0.071CC..Hα-helixtrans-62.5-24.3-178.4-167.366.1000113.3L36 F40 S42 I147L36-N38 PolarHBondContact O-N 3.41Å; N38-F40 PolarHBondContact O-N 3.01Å; N38-S42 WeakPolarHBondContact O-CB 3.38Å; N38-S42 PolarHBondContact O-N 2.94Å; N38-S42 WeakPolarHBondContact OD1-CB 3.42Å; N38-S42 PolarHBondContact OD1-OG 3.37Å; N38-I147 WeakPolarHBondContact OD1-CG2 3.24Å
39N88.9Confident86Confident11 Ų1111.9 Ų11.96%0.0596%0.063CC..Hα-helixtrans-62.1-30.7176.1-67.1-9.2000111.8L36 L37 A367 M368 L370L36-N39 WeakPolarHBondContact O-CB 3.28Å; L36-N39 PolarHBondContact O-N 2.72Å; L36-N39 VanDerWaalsContact O-N 3.1Å; L37-N39 PolarHBondContact O-N 3.2Å; N39-A367 PolarHBondContact ND2-O 3.28Å; N39-M368 PolarHBondContact OD1-O 3.36Å; N39-L370 HydrophobicContact CB-CD1 3.95Å; N39-L370 VanDerWaalsContact ND2-CD1 3.29Å; N39-L370 WeakPolarHBondContact ND2-CD1 3.34Å
40F89.9Confident86Confident6 Ų615.5 Ų15.53%0.0268%0.078CC..Hα-helixtrans-98.8-46.4-180-60.3-77.5000112L37 N38 S42 G43 L247 A248 A251 L260 I377 Y378 Q381L37-F40 PolarHBondContact O-N 3.46Å; N38-F40 PolarHBondContact O-N 3.01Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.26Å; F40-G43 PolarHBondContact O-N 3.29Å; F40-L247 HydrophobicContact CD2-CD1 4.43Å; F40-L247 HydrophobicContact CD2-CD2 3.91Å; F40-L247 HydrophobicContact CD2-CG 4.02Å; F40-L247 HydrophobicContact CE2-CD2 3.77Å; F40-L247 HydrophobicContact CE2-CG 3.89Å; F40-A248 HydrophobicContact CZ-CB 4.31Å; F40-A251 HydrophobicContact CB-CB 3.96Å; F40-A251 HydrophobicContact CD1-CB 3.4Å; F40-A251 VanDerWaalsContact CD1-CB 3.4Å; F40-A251 HydrophobicContact CD2-CB 4.02Å; F40-A251 HydrophobicContact CE1-CB 3.85Å; F40-A251 HydrophobicContact CE2-CB 4.39Å; F40-A251 HydrophobicContact CG-CB 3.51Å; F40-A251 HydrophobicContact CZ-CB 4.32Å; F40-L260 HydrophobicContact CB-CD2 3.78Å; F40-I377 HydrophobicContact CD1-CD1 3.37Å; F40-I377 HydrophobicContact CD1-CG1 4.28Å; F40-I377 HydrophobicContact CE1-CD1 3.62Å; F40-I377 HydrophobicContact CE1-CG1 4.08Å; F40-I377 HydrophobicContact CG-CD1 4.37Å; F40-Y378 AromaticContact CD1-CD1 3.84Å; F40-Y378 HydrophobicContact CD1-CD1 3.84Å; F40-Y378 AromaticContact CD1-CE1 3.69Å; F40-Y378 HydrophobicContact CD1-CE1 3.69Å; F40-Y378 AromaticContact CE1-CD1 3.46Å; F40-Y378 HydrophobicContact CE1-CD1 3.46Å; F40-Y378 VanDerWaalsContact CE1-CD1 3.46Å; F40-Y378 AromaticContact CE1-CE1 3.83Å; F40-Y378 HydrophobicContact CE1-CE1 3.83Å; F40-Y378 HydrophobicContact CE1-CG 4.27Å; F40-Y378 HydrophobicContact CZ-CD1 4.5Å; F40-Q381 HydrophobicContact CE2-CB 4.4Å; F40-Q381 HydrophobicContact CE2-CG 3.98Å; F40-Q381 HydrophobicContact CZ-CB 3.72Å; F40-Q381 HydrophobicContact CZ-CG 3.78Å
41V90.2Very high85.8Confident1 Ų114.8 Ų14.81%0.0068%0.075CC..Hα-helixtrans-63.7-37.4-178164.10000112.1L37 T129 T130 Y198 W257 L260L37-V41 HydrophobicContact CD1-CG2 3.76Å; L37-V41 HydrophobicContact CG-CG2 3.72Å; L37-V41 PolarHBondContact O-N 3.25Å; V41-T129 WeakPolarHBondContact O-CA 3.43Å; V41-T129 WeakPolarHBondContact O-CB 3.31Å; V41-T130 HydrophobicContact CG1-CG2 3.5Å; V41-T130 VanDerWaalsContact CG1-CG2 3.5Å; V41-T130 PolarHBondContact O-N 2.89Å; V41-T130 PolarHBondContact O-OG1 3.04Å; V41-Y198 VanDerWaalsContact CG1-OH 3.32Å; V41-Y198 WeakPolarHBondContact CG1-OH 3.18Å; V41-W257 HydrophobicContact CB-CB 4.25Å; V41-W257 HydrophobicContact CG1-CB 4Å; V41-W257 HydrophobicContact CG1-CD2 4.31Å; V41-W257 HydrophobicContact CG1-CE3 3.86Å; V41-W257 HydrophobicContact CG1-CG 4.44Å; V41-W257 HydrophobicContact CG2-CB 4.22Å; V41-L260 HydrophobicContact CG2-CD2 4.25Å
42S87.8Confident85.7Confident0 Ų017.4 Ų17.40%010%0.097CC..THydrogen-bonded Turntrans-108.330.6177.9-50.10000111.4N38 F40 I44 T130 K144N38-S42 WeakPolarHBondContact O-CB 3.38Å; N38-S42 PolarHBondContact O-N 2.94Å; N38-S42 WeakPolarHBondContact OD1-CB 3.42Å; N38-S42 PolarHBondContact OD1-OG 3.37Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.26Å; S42-I44 PolarHBondContact O-N 3.43Å; S42-T130 VanDerWaalsContact CA-OG1 3.28Å; S42-T130 WeakPolarHBondContact CA-OG1 3.49Å; S42-T130 WeakPolarHBondContact CB-OG1 3.17Å; S42-T130 PolarHBondContact OG-OG1 3.42Å; S42-K144 WeakPolarHBondContact O-CD 3.37Å; S42-K144 WeakPolarHBondContact O-CE 3.45Å; S42-K144 PolarHBondContact O-NZ 2.79Å
43G85.8Confident85.6Confident0 Ų019.6 Ų19.60%011%0.111CC..  trans-55.5136.8169.700000110.2F40 P45 T129F40-G43 PolarHBondContact O-N 3.29Å; G43-P45 WeakPolarHBondContact O-CD 3.37Å; G43-T129 WeakPolarHBondContact O-CB 3.48Å; G43-T129 WeakPolarHBondContact O-CG2 3.34Å; G43-T129 PolarHBondContact O-OG1 3.25Å
44I86Confident85Confident28 Ų2828.1 Ų28.114%0.14416%0.156CC..  trans-89.2110.1173.2-58.4168000106.9S42 V131 V137 R141 K144 Q371S42-I44 PolarHBondContact O-N 3.43Å; I44-V131 HydrophobicContact CG1-CG1 4.32Å; I44-V131 HydrophobicContact CG1-CG2 4.34Å; I44-V137 HydrophobicContact CG2-CG1 4.5Å; I44-R141 HydrophobicContact CD1-CG 4.1Å; I44-K144 HydrophobicContact CD1-CD 4Å; I44-K144 HydrophobicContact CG1-CD 3.91Å; I44-Q371 PolarHBondContact O-NE2 3.47Å
45P86.8Confident84.2Confident4 Ų433 Ų333%0.02618%0.179CC..  trans-69.3159.5173.3-2.118.1000109.7G43 H47 F121 F126G43-P45 WeakPolarHBondContact O-CD 3.37Å; P45-H47 PolarHBondContact O-N 3.45Å; P45-H47 PolarHBondContact O-ND1 3.06Å; P45-F121 HydrophobicContact CB-CB 4.31Å; P45-F121 HydrophobicContact CB-CD1 4.21Å; P45-F121 HydrophobicContact CG-CB 4.27Å; P45-F121 HydrophobicContact CG-CD1 3.77Å; P45-F121 HydrophobicContact CG-CG 4.36Å; P45-F126 HydrophobicContact CB-CD2 4.32Å; P45-F126 HydrophobicContact CG-CD2 4.47Å
46V85.8Confident83.6Confident74 Ų7436.7 Ų36.745%0.44820%0.202SC..  trans-60.3131.6165.4-1780000107.6D122V46-D122 HydrophobicContact CB-CB 4.1Å; V46-D122 WeakPolarHBondContact O-CB 3.32Å; V46-D122 PolarHBondContact O-N 3.01Å
47H88.2Confident82.9Confident12 Ų1238.1 Ų38.16%0.05621%0.209CC..EExtended strand (participates in β ladder)trans-143.8159.7-175.257.2-83.3000110.6P45 R87 W119 I120 F121P45-H47 PolarHBondContact O-N 3.45Å; P45-H47 PolarHBondContact O-ND1 3.06Å; H47-R87 PolarHBondContact CD2-O 3.29Å; H47-R87 VanDerWaalsContact CD2-O 3.31Å; H47-W119 AromaticContact CD2-CE3 3.83Å; H47-W119 AromaticContact CD2-CZ3 4Å; H47-I120 VanDerWaalsContact CA-O 3.26Å; H47-I120 WeakPolarHBondContact CA-O 3.48Å; H47-F121 HydrophobicContact CB-CD1 3.52Å; H47-F121 HydrophobicContact CB-CE1 3.72Å; H47-F121 HydrophobicContact CB-CG 4.29Å
48H88.1Confident82Confident42 Ų4242.5 Ų42.519%0.19423%0.229CC..EExtended strand (participates in β ladder)trans-148162.6175.264.480.9000110.1I76 I120H48-I76 HydrophobicContact CB-CD1 3.63Å; H48-I120 PolarHBondContact N-O 3.23Å; H48-I120 PolarHBondContact O-N 3.16Å
49C86.9Confident81.2Confident0 Ų045.8 Ų45.80%025%0.247CC..EExtended strand (participates in β ladder)trans-57144.3175.7-67.10000110.8P51 I76 R89 R90 C115C49-P51 WeakPolarHBondContact O-CD 3.36Å; C49-I76 HydrophobicContact CB-CD1 4.41Å; C49-R89 PolarHBondContact SG-O 3.08Å; C49-R90 HydrophobicContact CB-CB 3.93Å; C49-R90 HydrophobicContact CB-CG 4.34Å; C49-R90 VanDerWaalsContact SG-CB 3.54Å; C49-C115 WeakPolarHBondContact CA-SG 3.38Å; C49-C115 HydrophobicContact CB-CB 3.69Å; C49-C115 WeakPolarHBondContact CB-SG 3.14Å; C49-C115 WeakPolarHBondContact SG-CB 3.34Å; C49-C115 CovalentContact SG-SG 1.99Å; C49-C115 PolarHBondContact SG-SG 3.16Å
50K85.7Confident80.4Confident108 Ų10845.8 Ų45.847%0.4725%0.247SC..PPolyproline II helixtrans-66124.1161.9-167.5-179.8-176-177.80108.8R90 D117 G118 I120K50-R90 PolarHBondContact O-NH1 3.4Å; K50-D117 HydrophobicContact CB-CB 4.42Å; K50-D117 HydrophobicContact CD-CB 4.44Å; K50-D117 WeakPolarHBondContact CD-O 3.37Å; K50-G118 WeakPolarHBondContact CB-O 3.27Å; K50-G118 PolarHBondContact N-O 3.13Å; K50-I120 HydrophobicContact CB-CD1 4.47Å; K50-I120 HydrophobicContact CB-CG1 4.31Å; K50-I120 HydrophobicContact CG-CD1 4.16Å; K50-I120 HydrophobicContact CG-CG1 4.32Å
51P82.6Confident79.7Confident10 Ų1046 Ų467%0.06525%0.251CS..PPolyproline II helixtrans-69.7141.9179.417.6-17.9000110.7C49 T53 L57 F75C49-P51 WeakPolarHBondContact O-CD 3.36Å; P51-T53 VanDerWaalsContact C-N 3.26Å; P51-T53 HydrophobicContact CB-CG2 4.11Å; P51-T53 HydrophobicContact CG-CG2 4.29Å; P51-T53 PolarHBondContact O-N 2.97Å; P51-L57 HydrophobicContact CB-CD1 4.15Å; P51-L57 HydrophobicContact CG-CD1 3.15Å; P51-F75 HydrophobicContact CB-CB 3.95Å; P51-F75 HydrophobicContact CB-CD1 3.69Å; P51-F75 HydrophobicContact CB-CD2 3.96Å; P51-F75 HydrophobicContact CB-CE1 4.14Å; P51-F75 HydrophobicContact CB-CE2 4.4Å; P51-F75 HydrophobicContact CB-CG 3.58Å; P51-F75 HydrophobicContact CB-CZ 4.48Å
52A75.9Confident78.8Confident60 Ų6054.6 Ų54.650%0.49628%0.283SS..SBendtrans-75.476.3-179.800000110.3
53T72.4Confident78.1Confident47 Ų4759.5 Ų59.529%0.28831%0.308SS..  trans-141.6139.3178.7164.80000111.1P51 Q55 L60P51-T53 VanDerWaalsContact C-N 3.26Å; P51-T53 HydrophobicContact CB-CG2 4.11Å; P51-T53 HydrophobicContact CG-CG2 4.29Å; P51-T53 PolarHBondContact O-N 2.97Å; T53-Q55 VanDerWaalsContact C-N 3.29Å; T53-Q55 WeakPolarHBondContact CG2-O 3.33Å; T53-Q55 PolarHBondContact OG1-N 3.07Å; T53-Q55 PolarHBondContact OG1-O 3.13Å; T53-L60 HydrophobicContact CG2-CD1 4.05Å; T53-L60 WeakPolarHBondContact OG1-CD1 3.16Å
54N66.7Low77.5Confident179 Ų17965 Ų6596%0.95733%0.33SS*.SBendtrans-78-16.4172.3-68.6-19.6000112.5
55Q67.9Low77Confident104 Ų10472.6 Ų72.649%0.48636%0.364SS..SBendtrans-102.2149.1178.6-68.3178.7-10.200111T53 L60T53-Q55 VanDerWaalsContact C-N 3.29Å; T53-Q55 WeakPolarHBondContact CG2-O 3.33Å; T53-Q55 PolarHBondContact OG1-N 3.07Å; T53-Q55 PolarHBondContact OG1-O 3.13Å; Q55-L60 HydrophobicContact CB-CD1 4.36Å; Q55-L60 HydrophobicContact CB-CG 4.27Å
56T73.8Confident76.5Confident80 Ų8073.9 Ų73.949%0.49137%0.372SS..  trans-65.6148.2176.971.60000110.6H58 D59 L60T56-H58 PolarHBondContact O-N 3.17Å; T56-D59 PolarHBondContact O-N 2.93Å; T56-D59 VanDerWaalsContact O-N 3.1Å; T56-D59 PolarHBondContact OG1-N 3.2Å; T56-D59 PolarHBondContact OG1-OD2 3.34Å; T56-L60 PolarHBondContact O-N 3.36Å
57L73Confident76.1Confident31 Ų3175 Ų7516%0.16238%0.376CS..Hα-helixtrans-56.9-34.7179.1-127.696.3000112.1P51 L60 G61 E68 L71 L72P51-L57 HydrophobicContact CB-CD1 4.15Å; P51-L57 HydrophobicContact CG-CD1 3.15Å; L57-L60 PolarHBondContact O-N 3.48Å; L57-G61 PolarHBondContact O-N 3.27Å; L57-E68 HydrophobicContact CD2-CB 4.21Å; L57-E68 HydrophobicContact CD2-CG 4.48Å; L57-L71 HydrophobicContact CD2-CD2 4.09Å; L57-L71 HydrophobicContact CD2-CG 4.45Å; L57-L71 HydrophobicContact CG-CD2 3.83Å; L57-L71 HydrophobicContact CG-CG 4.49Å; L57-L71 WeakPolarHBondContact O-CD2 3.38Å; L57-L72 HydrophobicContact CD1-CD2 4.41Å; L57-L72 HydrophobicContact CD2-CD2 3.82Å; L57-L72 HydrophobicContact CD2-CG 3.84Å
58H70.3Confident75.5Confident92 Ų9278.6 Ų78.643%0.42639%0.393SS..Hα-helixtrans-66.8-37.8179.3-177.3-87.1000112.6T56 G61 R62 E68T56-H58 PolarHBondContact O-N 3.17Å; H58-G61 PolarHBondContact O-N 3.08Å; H58-R62 PolarHBondContact CE1-NE 3.43Å; H58-R62 PolarHBondContact O-N 3.27Å; H58-R62 VanDerWaalsContact O-N 3.1Å; H58-E68 IonicContact CD2-OE1 3.79Å
59D72.9Confident74.9Confident73 Ų7383.3 Ų83.339%0.3942%0.415SS..Hα-helixtrans-68.7-42.4175.4-64.8-36.5000111.1T56 R62 I63T56-D59 PolarHBondContact O-N 2.93Å; T56-D59 VanDerWaalsContact O-N 3.1Å; T56-D59 PolarHBondContact OG1-N 3.2Å; T56-D59 PolarHBondContact OG1-OD2 3.34Å; D59-R62 PolarHBondContact O-N 2.92Å; D59-I63 VanDerWaalsContact O-CG1 3.27Å; D59-I63 WeakPolarHBondContact O-CG1 3.42Å; D59-I63 PolarHBondContact O-N 3.47Å
60L72.7Confident74.4Confident10 Ų1088.4 Ų88.45%0.05244%0.439CS..Hα-helixtrans-63.1-41.2174.1-77161.4000111.9T53 Q55 T56 L57 R62 I63 Y64 L71 W96T53-L60 HydrophobicContact CG2-CD1 4.05Å; T53-L60 WeakPolarHBondContact OG1-CD1 3.16Å; Q55-L60 HydrophobicContact CB-CD1 4.36Å; Q55-L60 HydrophobicContact CB-CG 4.27Å; T56-L60 PolarHBondContact O-N 3.36Å; L57-L60 PolarHBondContact O-N 3.48Å; L60-R62 VanDerWaalsContact C-N 3.28Å; L60-R62 PolarHBondContact O-N 3.13Å; L60-I63 PolarHBondContact O-N 2.94Å; L60-Y64 HydrophobicContact CD2-CD2 4.3Å; L60-Y64 HydrophobicContact CD2-CE2 3.88Å; L60-Y64 WeakPolarHBondContact O-CD2 3.43Å; L60-Y64 PolarHBondContact O-N 3.5Å; L60-L71 HydrophobicContact CB-CD2 3.64Å; L60-W96 HydrophobicContact CD2-CH2 4.03Å
61G73.6Confident74.2Confident10 Ų1083.3 Ų83.310%0.10342%0.416CS..Hα-helixtrans-59-38.7174.500000112.3L57 H58 Q65 V66L57-G61 PolarHBondContact O-N 3.27Å; H58-G61 PolarHBondContact O-N 3.08Å; G61-Q65 CarbonylContact O-C 3.55Å; G61-Q65 VanDerWaalsContact O-CA 3.25Å; G61-Q65 WeakPolarHBondContact O-CA 3.29Å; G61-Q65 PolarHBondContact O-N 2.9Å; G61-V66 WeakPolarHBondContact CA-O 3.35Å; G61-V66 PolarHBondContact O-N 3.35Å
62R72.6Confident74.2Confident182 Ų18283.9 Ų83.969%0.68742%0.419SS*.Hα-helixtrans-69.6-41.5173.6-77.2-173.7176.8-172.90.2113.5H58 D59 L60 Y64 Q65H58-R62 PolarHBondContact CE1-NE 3.43Å; H58-R62 PolarHBondContact O-N 3.27Å; H58-R62 VanDerWaalsContact O-N 3.1Å; D59-R62 PolarHBondContact O-N 2.92Å; L60-R62 VanDerWaalsContact C-N 3.28Å; L60-R62 PolarHBondContact O-N 3.13Å; R62-Y64 VanDerWaalsContact C-N 3.34Å; R62-Q65 PolarHBondContact O-N 3.47Å
63I72.8Confident74.5Confident103 Ų10386.4 Ų86.453%0.52842%0.419SS..Hα-helixtrans-62.9-44.1180-70163.7000110.5D59 L60D59-I63 VanDerWaalsContact O-CG1 3.27Å; D59-I63 WeakPolarHBondContact O-CG1 3.42Å; D59-I63 PolarHBondContact O-N 3.47Å; L60-I63 PolarHBondContact O-N 2.94Å
64Y72.3Confident75Confident117 Ų11784.2 Ų84.246%0.45941%0.405SS..Hα-helixtrans-93.7-1.6-177.4-68.1-78.3000113.8L60 R62 V66 W96L60-Y64 HydrophobicContact CD2-CD2 4.3Å; L60-Y64 HydrophobicContact CD2-CE2 3.88Å; L60-Y64 WeakPolarHBondContact O-CD2 3.43Å; L60-Y64 PolarHBondContact O-N 3.5Å; R62-Y64 VanDerWaalsContact C-N 3.34Å; Y64-V66 VanDerWaalsContact C-N 3.26Å; Y64-V66 WeakPolarHBondContact O-CG2 3.32Å; Y64-V66 PolarHBondContact O-N 3.34Å; Y64-W96 HydrophobicContact CD2-CZ3 4.03Å; Y64-W96 HydrophobicContact CE2-CE3 4.37Å; Y64-W96 HydrophobicContact CE2-CH2 4.1Å; Y64-W96 AromaticContact CE2-CZ3 3.78Å; Y64-W96 HydrophobicContact CE2-CZ3 3.78Å
65Q75.7Confident75.8Confident186 Ų18676.1 Ų76.187%0.86936%0.361SS*.THydrogen-bonded Turntrans52.141.2-175.8-63.5-177.7-19.800113.3G61 R62G61-Q65 CarbonylContact O-C 3.55Å; G61-Q65 VanDerWaalsContact O-CA 3.25Å; G61-Q65 WeakPolarHBondContact O-CA 3.29Å; G61-Q65 PolarHBondContact O-N 2.9Å; R62-Q65 PolarHBondContact O-N 3.47Å
66V76.3Confident76.6Confident32 Ų3271.2 Ų71.219%0.19434%0.338CS..  trans-124.1143.8-175.5178.80000110.2G61 Y64 Q70 L99G61-V66 WeakPolarHBondContact CA-O 3.35Å; G61-V66 PolarHBondContact O-N 3.35Å; Y64-V66 VanDerWaalsContact C-N 3.26Å; Y64-V66 WeakPolarHBondContact O-CG2 3.32Å; Y64-V66 PolarHBondContact O-N 3.34Å; V66-Q70 HydrophobicContact CG1-CB 3.39Å; V66-Q70 HydrophobicContact CG1-CG 4.42Å; V66-L99 HydrophobicContact CB-CD2 4.22Å; V66-L99 HydrophobicContact CG1-CD2 3.66Å; V66-L99 HydrophobicContact CG2-CD2 3.94Å
67D78.1Confident77.1Confident98 Ų9867.9 Ų67.952%0.52432%0.318SS..  trans-64.6146.9176.3-171.233.2000111.7Q69 Q70 L71D67-Q69 PolarHBondContact O-N 2.86Å; D67-Q69 VanDerWaalsContact O-N 3.15Å; D67-Q70 PolarHBondContact O-N 3.19Å; D67-L71 PolarHBondContact O-N 3.18Å
68E75.3Confident77.5Confident86 Ų8669.9 Ų69.940%0.40233%0.333SS..Hα-helixtrans-58.3-35.4-174.4-71.7-173.8166.700112L57 H58 Q70 L71 L72L57-E68 HydrophobicContact CD2-CB 4.21Å; L57-E68 HydrophobicContact CD2-CG 4.48Å; H58-E68 IonicContact CD2-OE1 3.79Å; E68-Q70 VanDerWaalsContact C-N 3.35Å; E68-Q70 PolarHBondContact O-N 3.41Å; E68-L71 PolarHBondContact O-N 3.49Å; E68-L72 WeakPolarHBondContact O-CG 3.43Å; E68-L72 PolarHBondContact O-N 2.95Å
69Q75.3Confident77.8Confident142 Ų14268.1 Ų68.166%0.66433%0.327SS*.Hα-helixtrans-67.7-33.4178-65.1-167.7-8.500113.5D67D67-Q69 PolarHBondContact O-N 2.86Å; D67-Q69 VanDerWaalsContact O-N 3.15Å
70Q75.9Confident77.7Confident107 Ų10770.9 Ų70.950%0.535%0.349SS..Hα-helixtrans-75.9-36.3175.8-70.5-178.5-12.200110.4V66 D67 E68 L72 K73V66-Q70 HydrophobicContact CG1-CB 3.39Å; V66-Q70 HydrophobicContact CG1-CG 4.42Å; D67-Q70 PolarHBondContact O-N 3.19Å; E68-Q70 VanDerWaalsContact C-N 3.35Å; E68-Q70 PolarHBondContact O-N 3.41Å; Q70-L72 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 3.5Å; Q70-K73 WeakPolarHBondContact O-CB 3.18Å; Q70-K73 PolarHBondContact O-N 3.39Å
71L81.8Confident77.4Confident0 Ų073.9 Ų73.90%037%0.371CS..Hα-helixtrans-64.6-36.8173.7-172.764.3000112L57 L60 D67 E68 K73 V74 F75 W96L57-L71 HydrophobicContact CD2-CD2 4.09Å; L57-L71 HydrophobicContact CD2-CG 4.45Å; L57-L71 HydrophobicContact CG-CD2 3.83Å; L57-L71 HydrophobicContact CG-CG 4.49Å; L57-L71 WeakPolarHBondContact O-CD2 3.38Å; L60-L71 HydrophobicContact CB-CD2 3.64Å; D67-L71 PolarHBondContact O-N 3.18Å; E68-L71 PolarHBondContact O-N 3.49Å; L71-K73 PolarHBondContact O-N 2.88Å; L71-V74 HydrophobicContact CD1-CG2 4.48Å; L71-V74 WeakPolarHBondContact O-CB 3.41Å; L71-V74 WeakPolarHBondContact O-CG2 3.49Å; L71-V74 PolarHBondContact O-N 3.38Å; L71-V74 VanDerWaalsContact O-N 3.09Å; L71-F75 HydrophobicContact CD1-CE2 4.21Å; L71-F75 HydrophobicContact CG-CE2 4.13Å; L71-F75 WeakPolarHBondContact O-CD2 3.22Å; L71-W96 HydrophobicContact CD1-CH2 4.25Å; L71-W96 HydrophobicContact CD1-CZ3 3.69Å
72L82.4Confident77.1Confident22 Ų2276 Ų7612%0.11539%0.392CS..Hα-helixtrans-60.5-29.6176.1-76.1169.5000113.4L57 E68 Q70 V74 F75 I76 L85L57-L72 HydrophobicContact CD1-CD2 4.41Å; L57-L72 HydrophobicContact CD2-CD2 3.82Å; L57-L72 HydrophobicContact CD2-CG 3.84Å; E68-L72 WeakPolarHBondContact O-CG 3.43Å; E68-L72 PolarHBondContact O-N 2.95Å; Q70-L72 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 3.5Å; L72-V74 PolarHBondContact O-N 3.21Å; L72-F75 PolarHBondContact O-N 3.5Å; L72-F75 VanDerWaalsContact O-N 3.13Å; L72-I76 HydrophobicContact CD2-CD1 4.34Å; L72-I76 WeakPolarHBondContact O-CB 3.44Å; L72-I76 PolarHBondContact O-N 3.5Å; L72-L85 HydrophobicContact CB-CD1 3.77Å; L72-L85 HydrophobicContact CD1-CD1 4.47Å
73K82.3Confident76.8Confident114 Ų11474.6 Ų74.650%0.49640%0.399SS..Hα-helixtrans-65-22.5176.6-64.4175.8-179.8-176.30113.3Q70 L71 F75 L85Q70-K73 WeakPolarHBondContact O-CB 3.18Å; Q70-K73 PolarHBondContact O-N 3.39Å; L71-K73 PolarHBondContact O-N 2.88Å; K73-F75 VanDerWaalsContact C-N 3.32Å; K73-L85 HydrophobicContact CG-CD2 3.95Å
74V82.9Confident77Confident0 Ų077.8 Ų77.80%040%0.404CS..Hα-helixtrans-68.2-35.9175.21730000111.1L71 L72 Y91 P94 Q95 W96 L99L71-V74 HydrophobicContact CD1-CG2 4.48Å; L71-V74 WeakPolarHBondContact O-CB 3.41Å; L71-V74 WeakPolarHBondContact O-CG2 3.49Å; L71-V74 PolarHBondContact O-N 3.38Å; L71-V74 VanDerWaalsContact O-N 3.09Å; L72-V74 PolarHBondContact O-N 3.21Å; V74-Y91 WeakPolarHBondContact O-CD2 3.26Å; V74-P94 HydrophobicContact CG1-CB 3.89Å; V74-Q95 PolarHBondContact O-N 2.83Å; V74-W96 HydrophobicContact CG1-CD2 3.94Å; V74-W96 HydrophobicContact CG1-CE3 3.94Å; V74-W96 HydrophobicContact CG1-CG 4.35Å; V74-W96 HydrophobicContact CG1-CZ3 4.26Å; V74-W96 HydrophobicContact CG2-CE3 4.48Å; V74-L99 HydrophobicContact CG2-CD1 3.6Å; V74-L99 HydrophobicContact CG2-CD2 4.16Å; V74-L99 HydrophobicContact CG2-CG 3.62Å
75F83.1Confident77.5Confident9 Ų974.6 Ų74.64%0.03940%0.395CS..Hα-helixtrans-98.3-25.9-173.6-62-81.9000112.6P51 L71 L72 K73 R90 Y91 P94 W96P51-F75 HydrophobicContact CB-CB 3.95Å; P51-F75 HydrophobicContact CB-CD1 3.69Å; P51-F75 HydrophobicContact CB-CD2 3.96Å; P51-F75 HydrophobicContact CB-CE1 4.14Å; P51-F75 HydrophobicContact CB-CE2 4.4Å; P51-F75 HydrophobicContact CB-CG 3.58Å; P51-F75 HydrophobicContact CB-CZ 4.48Å; L71-F75 HydrophobicContact CD1-CE2 4.21Å; L71-F75 HydrophobicContact CG-CE2 4.13Å; L71-F75 WeakPolarHBondContact O-CD2 3.22Å; L72-F75 PolarHBondContact O-N 3.5Å; L72-F75 VanDerWaalsContact O-N 3.13Å; K73-F75 VanDerWaalsContact C-N 3.32Å; F75-R90 WeakPolarHBondContact O-CA 3.36Å; F75-R90 WeakPolarHBondContact O-CB 3.48Å; F75-Y91 PolarHBondContact O-N 3.49Å; F75-P94 HydrophobicContact CD1-CB 3.92Å; F75-P94 HydrophobicContact CE1-CB 3.66Å; F75-P94 HydrophobicContact CE1-CG 4.5Å; F75-P94 HydrophobicContact CZ-CB 4.37Å; F75-W96 HydrophobicContact CE2-CH2 4.33Å; F75-W96 AromaticContact CZ-CH2 3.83Å; F75-W96 HydrophobicContact CZ-CH2 3.83Å; F75-W96 AromaticContact CZ-CZ2 4Å; F75-W96 HydrophobicContact CZ-CZ2 4Å
76I84.6Confident77.8Confident1 Ų167 Ų671%0.00536%0.36CS..SBendtrans-125.9125.2-168.2-52.4-172.8000109.6H48 C49 L72 L85 D86H48-I76 HydrophobicContact CB-CD1 3.63Å; C49-I76 HydrophobicContact CB-CD1 4.41Å; L72-I76 HydrophobicContact CD2-CD1 4.34Å; L72-I76 WeakPolarHBondContact O-CB 3.44Å; L72-I76 PolarHBondContact O-N 3.5Å; I76-L85 HydrophobicContact CB-CD2 4.35Å; I76-L85 HydrophobicContact CG2-CB 3.94Å; I76-L85 HydrophobicContact CG2-CD2 4.46Å; I76-D86 HydrophobicContact CG2-CB 4.4Å; I76-D86 WeakPolarHBondContact CG2-O 3.49Å
77P85.1Confident78.2Confident11 Ų1169.8 Ų69.87%0.07137%0.367CS..PPolyproline II helixtrans-66.2157.717627.3-33.5000111.6D86 R89 Y91 T112P77-D86 HydrophobicContact CG-CB 3.95Å; P77-D86 WeakPolarHBondContact O-CB 3.47Å; P77-D86 PolarHBondContact O-N 2.82Å; P77-R89 HydrophobicContact CG-CB 4.44Å; P77-Y91 WeakPolarHBondContact CA-OH 3.47Å; P77-Y91 HydrophobicContact CB-CE1 3.85Å; P77-Y91 HydrophobicContact CB-CE2 4.13Å; P77-Y91 HydrophobicContact CG-CE1 4.49Å; P77-T112 HydrophobicContact CB-CG2 4.41Å; P77-T112 HydrophobicContact CG-CG2 3.96Å
78P80.9Confident78.7Confident72 Ų7267.2 Ų67.247%0.46836%0.356SS..BIsolated β-bridgetrans-65.3145.3165.329.2-32.8000110.5R84P78-R84 CarbonylContact C-O 3.58Å; P78-R84 WeakPolarHBondContact CA-O 3.4Å
79D78.4Confident79.2Confident56 Ų5669.7 Ų69.730%0.29936%0.362SS..PPolyproline II helixtrans-58.9158.7170-170.857000110.2S81 G82 R84D79-S81 PolarHBondContact O-N 2.99Å; D79-S81 PolarHBondContact OD2-OG 3.25Å; D79-G82 PolarHBondContact O-N 3.38Å; D79-R84 WeakPolarHBondContact CB-O 2.9Å; D79-R84 PolarHBondContact N-O 2.87Å
80P70.5Confident79.8Confident130 Ų13063.6 Ų63.684%0.84433%0.332SS*.THydrogen-bonded Turntrans-57.8-19.3-178-26.136.3000114.5
81S65.5Low80.2Confident74 Ų7459.3 Ų59.352%0.51731%0.312SS..THydrogen-bonded Turntrans-79.9-10.7174.761.40000114.5D79 N83D79-S81 PolarHBondContact O-N 2.99Å; D79-S81 PolarHBondContact OD2-OG 3.25Å; S81-N83 PolarHBondContact O-N 3.33Å; S81-N83 VanDerWaalsContact O-N 3.07Å
82G66.6Low80.3Confident54 Ų5462.3 Ų62.356%0.55733%0.33SS*.SBendtrans74.2-14.4177.700000115.9D79D79-G82 PolarHBondContact O-N 3.38Å
83N67.6Low80.2Confident153 Ų15368 Ų6882%0.81836%0.356SS*.SBendtrans-90.9-16.4-172.7-79.4-14.7000114.7S81S81-N83 PolarHBondContact O-N 3.33Å; S81-N83 VanDerWaalsContact O-N 3.07Å
84R77.6Confident80.1Confident170 Ų17065 Ų6564%0.64235%0.348SS*.SBendtrans-138.1164-175.8-67.3-178176.8169.9-2.3110.1P78 D79P78-R84 CarbonylContact C-O 3.58Å; P78-R84 WeakPolarHBondContact CA-O 3.4Å; D79-R84 WeakPolarHBondContact CB-O 2.9Å; D79-R84 PolarHBondContact N-O 2.87Å
85L82.5Confident80Confident50 Ų5066.5 Ų66.526%0.26236%0.355SS..BIsolated β-bridgetrans-71.8144.7170.5-63.7174.1000110.3L72 K73 I76 R87L72-L85 HydrophobicContact CB-CD1 3.77Å; L72-L85 HydrophobicContact CD1-CD1 4.47Å; K73-L85 HydrophobicContact CG-CD2 3.95Å; I76-L85 HydrophobicContact CB-CD2 4.35Å; I76-L85 HydrophobicContact CG2-CB 3.94Å; I76-L85 HydrophobicContact CG2-CD2 4.46Å; L85-R87 PolarHBondContact O-N 2.66Å
86D81.8Confident79.7Confident25 Ų2570.3 Ų70.313%0.13437%0.369CS..  trans-60.6134.1171.7-168.6-24000108.7I76 P77 C88 R89I76-D86 HydrophobicContact CG2-CB 4.4Å; I76-D86 WeakPolarHBondContact CG2-O 3.49Å; P77-D86 HydrophobicContact CG-CB 3.95Å; P77-D86 WeakPolarHBondContact O-CB 3.47Å; P77-D86 PolarHBondContact O-N 2.82Å; D86-C88 PolarHBondContact OD1-N 3.18Å; D86-R89 PolarHBondContact OD1-N 3.07Å; D86-R89 WeakPolarHBondContact OD2-CB 3.49Å; D86-R89 WeakPolarHBondContact OD2-CG 3.39Å
87R84.9Confident79Confident92 Ų9275.6 Ų75.635%0.34739%0.394SS..SBendtrans-88.3-13.4-176.8-64.4-178.1178.9-170.3-4.9112.9H47 L85 W119H47-R87 PolarHBondContact CD2-O 3.29Å; H47-R87 VanDerWaalsContact CD2-O 3.31Å; L85-R87 PolarHBondContact O-N 2.66Å; R87-W119 WeakPolarHBondContact O-CZ3 3.44Å
88C87.1Confident78.2Confident43 Ų4379.1 Ų79.129%0.29141%0.41SS..SBendtrans-126.5-11.2-167-70.10000114.8D86 W119 C138D86-C88 PolarHBondContact OD1-N 3.18Å; C88-W119 HydrophobicContact CB-CH2 4.47Å; C88-C138 WeakPolarHBondContact CA-SG 3.32Å; C88-C138 HydrophobicContact CB-CB 3.78Å; C88-C138 WeakPolarHBondContact CB-SG 3.43Å; C88-C138 WeakPolarHBondContact SG-CB 3.41Å; C88-C138 CovalentContact SG-SG 2.02Å; C88-C138 PolarHBondContact SG-SG 3.24Å
89R86.7Confident77.7Confident139 Ų13978.2 Ų78.253%0.52540%0.401SS..EExtended strand (participates in β ladder)trans-128.6154.1-177.8-57.4-176.5175.5-165.70.6111.3C49 P77 D86 E113C49-R89 PolarHBondContact SG-O 3.08Å; P77-R89 HydrophobicContact CG-CB 4.44Å; D86-R89 PolarHBondContact OD1-N 3.07Å; D86-R89 WeakPolarHBondContact OD2-CB 3.49Å; D86-R89 WeakPolarHBondContact OD2-CG 3.39Å; R89-E113 VanDerWaalsContact CA-O 3.29Å; R89-E113 WeakPolarHBondContact CA-O 3.38Å
90R86.9Confident76.9Confident13 Ų1378.8 Ų78.85%0.04941%0.41CS..EExtended strand (participates in β ladder)trans-130.9162.317060179.8-169.4-179.68.9110.3C49 K50 F75 T112 E113 D117C49-R90 HydrophobicContact CB-CB 3.93Å; C49-R90 HydrophobicContact CB-CG 4.34Å; C49-R90 VanDerWaalsContact SG-CB 3.54Å; K50-R90 PolarHBondContact O-NH1 3.4Å; F75-R90 WeakPolarHBondContact O-CA 3.36Å; F75-R90 WeakPolarHBondContact O-CB 3.48Å; R90-T112 CarbonylContact O-C 3.36Å; R90-T112 WeakPolarHBondContact O-CA 3.25Å; R90-T112 WeakPolarHBondContact O-CB 3.34Å; R90-E113 HydrophobicContact CG-CG 3.93Å; R90-E113 IonicContact CZ-OE1 3.23Å; R90-E113 VanDerWaalsContact CZ-OE1 3.23Å; R90-E113 PolarHBondContact N-O 3.06Å; R90-E113 IonicContact NE-OE1 2.83Å; R90-E113 PolarHBondContact NE-OE1 3.34Å; R90-E113 IonicContact NH2-OE1 2.8Å; R90-E113 PolarHBondContact NH2-OE1 3.13Å; R90-E113 PolarHBondContact O-N 2.71Å; R90-D117 IonicContact CZ-OD2 3.21Å; R90-D117 IonicContact NH1-OD2 2.67Å; R90-D117 PolarHBondContact NH1-OD2 2.82Å; R90-D117 IonicContact NH2-OD2 2.87Å; R90-D117 PolarHBondContact NH2-OD2 3.11Å
91Y84.9Confident76.3Confident18 Ų1881 Ų817%0.07141%0.414CS..EExtended strand (participates in β ladder)trans-68.8141.9166.6-63.6-63.1000110.2V74 F75 P77 E93 Q95 M98 L110 T112V74-Y91 WeakPolarHBondContact O-CD2 3.26Å; F75-Y91 PolarHBondContact O-N 3.49Å; P77-Y91 WeakPolarHBondContact CA-OH 3.47Å; P77-Y91 HydrophobicContact CB-CE1 3.85Å; P77-Y91 HydrophobicContact CB-CE2 4.13Å; P77-Y91 HydrophobicContact CG-CE1 4.49Å; Y91-E93 VanDerWaalsContact C-N 3.32Å; Y91-E93 VanDerWaalsContact CB-O 3.27Å; Y91-E93 WeakPolarHBondContact CB-O 3.12Å; Y91-Q95 HydrophobicContact CD1-CG 4.21Å; Y91-Q95 HydrophobicContact CD2-CB 4.43Å; Y91-Q95 HydrophobicContact CD2-CG 3.85Å; Y91-Q95 HydrophobicContact CE2-CG 4.16Å; Y91-Q95 HydrophobicContact CG-CG 3.87Å; Y91-M98 HydrophobicContact CE2-CE 4.24Å; Y91-M98 WeakPolarHBondContact OH-CE 3.38Å; Y91-L110 HydrophobicContact CD1-CB 4.12Å; Y91-L110 HydrophobicContact CD1-CD2 4.27Å; Y91-L110 HydrophobicContact CE1-CB 3.77Å; Y91-L110 HydrophobicContact CE1-CD1 4.09Å; Y91-L110 HydrophobicContact CE1-CD2 4.12Å; Y91-L110 HydrophobicContact CE1-CG 4.22Å; Y91-T112 HydrophobicContact CD1-CG2 3.87Å; Y91-T112 HydrophobicContact CE1-CG2 4.1Å
92V83.6Confident75.6Confident63 Ų6385 Ų8538%0.38243%0.429SS..SBendtrans-64.3-42174177.40000110.2Q111 E113V92-Q111 HydrophobicContact CB-CB 4.41Å; V92-Q111 HydrophobicContact CG2-CB 3.96Å; V92-Q111 PolarHBondContact N-O 3.1Å; V92-Q111 VanDerWaalsContact N-O 3.08Å; V92-E113 HydrophobicContact CG2-CB 3.96Å; V92-E113 HydrophobicContact CG2-CG 3.86Å
93E80.3Confident74.7Confident140 Ų14089.2 Ų89.265%0.65444%0.436SS*.SBendtrans-116.5137.4174.6-66.2-176.2170.900110.7Y91 Q95Y91-E93 VanDerWaalsContact C-N 3.32Å; Y91-E93 VanDerWaalsContact CB-O 3.27Å; Y91-E93 WeakPolarHBondContact CB-O 3.12Å; E93-Q95 PolarHBondContact O-N 3.49Å; E93-Q95 PolarHBondContact O-NE2 3.5Å
94P81.1Confident74Confident51 Ų5187.7 Ų87.733%0.33144%0.438SS..  trans-64.3125.7-179.726.5-33.9000111.4V74 F75 W96V74-P94 HydrophobicContact CG1-CB 3.89Å; F75-P94 HydrophobicContact CD1-CB 3.92Å; F75-P94 HydrophobicContact CE1-CB 3.66Å; F75-P94 HydrophobicContact CE1-CG 4.5Å; F75-P94 HydrophobicContact CZ-CB 4.37Å; P94-W96 HydrophobicContact CB-CZ2 4.22Å; P94-W96 HydrophobicContact CG-CZ2 4.47Å; P94-W96 PolarHBondContact O-N 3.4Å; P94-W96 VanDerWaalsContact O-N 3.1Å
95Q81.3Confident72.8Confident33 Ų3383.6 Ų83.615%0.15443%0.428CS..  trans-89.969.2-174.9-60.9-57.4-49.400111.4V74 Y91 E93 Q97 M98 L110V74-Q95 PolarHBondContact O-N 2.83Å; Y91-Q95 HydrophobicContact CD1-CG 4.21Å; Y91-Q95 HydrophobicContact CD2-CB 4.43Å; Y91-Q95 HydrophobicContact CD2-CG 3.85Å; Y91-Q95 HydrophobicContact CE2-CG 4.16Å; Y91-Q95 HydrophobicContact CG-CG 3.87Å; E93-Q95 PolarHBondContact O-N 3.49Å; E93-Q95 PolarHBondContact O-NE2 3.5Å; Q95-Q97 PolarHBondContact O-N 3.08Å; Q95-M98 HydrophobicContact CB-CG 4.09Å; Q95-M98 WeakPolarHBondContact O-CB 3.45Å; Q95-M98 PolarHBondContact O-N 3.37Å; Q95-L110 HydrophobicContact CG-CD2 3.64Å
96W76.6Confident71.2Confident88 Ų8888.7 Ų88.733%0.33346%0.455SS..G310 helixtrans-57.3-23.3-179.5-60.8104000112.6L60 Y64 L71 V74 F75 P94 M98 L99L60-W96 HydrophobicContact CD2-CH2 4.03Å; Y64-W96 HydrophobicContact CD2-CZ3 4.03Å; Y64-W96 HydrophobicContact CE2-CE3 4.37Å; Y64-W96 HydrophobicContact CE2-CH2 4.1Å; Y64-W96 AromaticContact CE2-CZ3 3.78Å; Y64-W96 HydrophobicContact CE2-CZ3 3.78Å; L71-W96 HydrophobicContact CD1-CH2 4.25Å; L71-W96 HydrophobicContact CD1-CZ3 3.69Å; V74-W96 HydrophobicContact CG1-CD2 3.94Å; V74-W96 HydrophobicContact CG1-CE3 3.94Å; V74-W96 HydrophobicContact CG1-CG 4.35Å; V74-W96 HydrophobicContact CG1-CZ3 4.26Å; V74-W96 HydrophobicContact CG2-CE3 4.48Å; F75-W96 HydrophobicContact CE2-CH2 4.33Å; F75-W96 AromaticContact CZ-CH2 3.83Å; F75-W96 HydrophobicContact CZ-CH2 3.83Å; F75-W96 AromaticContact CZ-CZ2 4Å; F75-W96 HydrophobicContact CZ-CZ2 4Å; P94-W96 HydrophobicContact CB-CZ2 4.22Å; P94-W96 HydrophobicContact CG-CZ2 4.47Å; P94-W96 PolarHBondContact O-N 3.4Å; P94-W96 VanDerWaalsContact O-N 3.1Å; W96-M98 PolarHBondContact O-N 2.84Å; W96-L99 HydrophobicContact CE3-CD1 3.65Å; W96-L99 HydrophobicContact CZ3-CD1 4.22Å; W96-L99 WeakPolarHBondContact O-CB 3.43Å; W96-L99 PolarHBondContact O-N 3.33Å; W96-L99 VanDerWaalsContact O-N 3.1Å
97Q69.9Low69.7Low113 Ų11391.6 Ų91.653%0.52848%0.483SS..G310 helixtrans-58.6-27.1174.5-61.7175.1-4.400112.9Q95 L99 S100Q95-Q97 PolarHBondContact O-N 3.08Å; Q97-L99 PolarHBondContact O-N 2.84Å; Q97-S100 PolarHBondContact O-N 2.87Å; Q97-S100 PolarHBondContact O-OG 2.89Å
98M68.3Low67.9Low84 Ų8492.2 Ų92.241%0.41450%0.502SS..G310 helixtrans-67.5-16.4176.5-69.8-147.6176.700114Y91 Q95 W96 S100 L110Y91-M98 HydrophobicContact CE2-CE 4.24Å; Y91-M98 WeakPolarHBondContact OH-CE 3.38Å; Q95-M98 HydrophobicContact CB-CG 4.09Å; Q95-M98 WeakPolarHBondContact O-CB 3.45Å; Q95-M98 PolarHBondContact O-N 3.37Å; W96-M98 PolarHBondContact O-N 2.84Å; M98-S100 VanDerWaalsContact C-N 3.32Å; M98-L110 HydrophobicContact CE-CD1 4.39Å
99L69.9Low66.4Low53 Ų5398.7 Ų98.728%0.27753%0.528SS..G310 helixtrans-79-19.9173-66.4155.6000111.9V66 V74 W96 Q97V66-L99 HydrophobicContact CB-CD2 4.22Å; V66-L99 HydrophobicContact CG1-CD2 3.66Å; V66-L99 HydrophobicContact CG2-CD2 3.94Å; V74-L99 HydrophobicContact CG2-CD1 3.6Å; V74-L99 HydrophobicContact CG2-CD2 4.16Å; V74-L99 HydrophobicContact CG2-CG 3.62Å; W96-L99 HydrophobicContact CE3-CD1 3.65Å; W96-L99 HydrophobicContact CZ3-CD1 4.22Å; W96-L99 WeakPolarHBondContact O-CB 3.43Å; W96-L99 PolarHBondContact O-N 3.33Å; W96-L99 VanDerWaalsContact O-N 3.1Å; Q97-L99 PolarHBondContact O-N 2.84Å
100S62.4Low65.7Low69 Ų6995.3 Ų95.348%0.48352%0.52SS..SBendtrans-88.6111.8179.370.20000110.5Q97 M98 N102Q97-S100 PolarHBondContact O-N 2.87Å; Q97-S100 PolarHBondContact O-OG 2.89Å; M98-S100 VanDerWaalsContact C-N 3.32Å; S100-N102 PolarHBondContact O-N 3.24Å
101L56.3Low65.3Low175 Ų175101.8 Ų101.892%0.91655%0.551SS**THydrogen-bonded Turntrans-62.73.6-172.7-89137.1000116.5
102N50.9Low65.2Low159 Ų159103.5 Ų103.585%0.8556%0.563SS**THydrogen-bonded Turntrans-130.727.2-162-92.30.3000116.8S100S100-N102 PolarHBondContact O-N 3.24Å
103M48.7Very low65.3Low142 Ų142103.4 Ų103.470%0.756%0.558SS**  trans-136.8111.6169.8-151.3169.8-72.100113.1L105M103-L105 PolarHBondContact O-N 3.42Å
104S51.4Low65.6Low122 Ų12298.9 Ų98.985%0.85355%0.549SS*.  trans-66.694.8160.1530000108.3N106S104-N106 PolarHBondContact O-N 2.97Å
105L53.4Low65.8Low84 Ų8497.3 Ų97.344%0.4454%0.539SS..  trans-71.5128.7177.5-79.6159.9000110.2M103 A107M103-L105 PolarHBondContact O-N 3.42Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 3.03Å
106N48.2Very low65.9Low156 Ų156100.9 Ų100.983%0.83456%0.563SS**  trans-57.9101.5155.5-84.9-21.1000107.1S104 S108S104-N106 PolarHBondContact O-N 2.97Å; N106-S108 PolarHBondContact O-N 3.18Å
107A51.5Low66.3Low87 Ų87100.7 Ų100.772%0.71957%0.568SS**  trans-74.452.8-175.500000112.4L105 E109L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 3.03Å; A107-E109 PolarHBondContact O-N 3.34Å; A107-E109 VanDerWaalsContact O-N 3.11Å
108S45.9Very low67Low105 Ų10596.2 Ų96.273%0.73455%0.552SS**SBendtrans-76.895.1168.647.80000109N106N106-S108 PolarHBondContact O-N 3.18Å
109E56.6Low68Low179 Ų17994.4 Ų94.484%0.83654%0.541SS*.  trans50.367.6163.1-62.1-173.717200116.8A107 Q111A107-E109 PolarHBondContact O-N 3.34Å; A107-E109 VanDerWaalsContact O-N 3.11Å; E109-Q111 PolarHBondContact O-N 3.35Å; E109-Q111 VanDerWaalsContact O-N 3.07Å
110L72Confident68.8Low67 Ų6795.1 Ų95.135%0.35155%0.545SS..  trans-56.4113.1158.5-79.7152.4000109.3Y91 Q95 M98 T112Y91-L110 HydrophobicContact CD1-CB 4.12Å; Y91-L110 HydrophobicContact CD1-CD2 4.27Å; Y91-L110 HydrophobicContact CE1-CB 3.77Å; Y91-L110 HydrophobicContact CE1-CD1 4.09Å; Y91-L110 HydrophobicContact CE1-CD2 4.12Å; Y91-L110 HydrophobicContact CE1-CG 4.22Å; Q95-L110 HydrophobicContact CG-CD2 3.64Å; M98-L110 HydrophobicContact CE-CD1 4.39Å; L110-T112 PolarHBondContact O-N 2.58Å
111Q77.6Confident70.1Confident150 Ų15093.4 Ų93.470%0.70153%0.528SS*.  trans-68.3124.2-179.5-67.2-169.5-600110.1V92 E109V92-Q111 HydrophobicContact CB-CB 4.41Å; V92-Q111 HydrophobicContact CG2-CB 3.96Å; V92-Q111 PolarHBondContact N-O 3.1Å; V92-Q111 VanDerWaalsContact N-O 3.08Å; E109-Q111 PolarHBondContact O-N 3.35Å; E109-Q111 VanDerWaalsContact O-N 3.07Å
112T83.6Confident71.5Confident54 Ų5488.5 Ų88.533%0.33150%0.503SS..EExtended strand (participates in β ladder)trans-116.1142.9177.353.80000109.6P77 R90 Y91 L110P77-T112 HydrophobicContact CB-CG2 4.41Å; P77-T112 HydrophobicContact CG-CG2 3.96Å; R90-T112 CarbonylContact O-C 3.36Å; R90-T112 WeakPolarHBondContact O-CA 3.25Å; R90-T112 WeakPolarHBondContact O-CB 3.34Å; Y91-T112 HydrophobicContact CD1-CG2 3.87Å; Y91-T112 HydrophobicContact CE1-CG2 4.1Å; L110-T112 PolarHBondContact O-N 2.58Å
113E85.7Confident73.2Confident61 Ų6187.7 Ų87.729%0.28549%0.494SS..EExtended strand (participates in β ladder)trans-125.9165.4175.361.1168.6-154.600110.9R89 R90 V92R89-E113 VanDerWaalsContact CA-O 3.29Å; R89-E113 WeakPolarHBondContact CA-O 3.38Å; R90-E113 HydrophobicContact CG-CG 3.93Å; R90-E113 IonicContact CZ-OE1 3.23Å; R90-E113 VanDerWaalsContact CZ-OE1 3.23Å; R90-E113 PolarHBondContact N-O 3.06Å; R90-E113 IonicContact NE-OE1 2.83Å; R90-E113 PolarHBondContact NE-OE1 3.34Å; R90-E113 IonicContact NH2-OE1 2.8Å; R90-E113 PolarHBondContact NH2-OE1 3.13Å; R90-E113 PolarHBondContact O-N 2.71Å; V92-E113 HydrophobicContact CG2-CB 3.96Å; V92-E113 HydrophobicContact CG2-CG 3.86Å
114G85.4Confident74.9Confident44 Ų4484.6 Ų84.645%0.45449%0.486SS..EExtended strand (participates in β ladder)trans-68.4162.5168.500000111.4V116G114-V116 WeakPolarHBondContact O-CG2 3.47Å; G114-V116 PolarHBondContact O-N 3.24Å
115C86Confident76.3Confident19 Ų1981.7 Ų81.713%0.12846%0.459CS..  trans-74.299.3-179.5-40.90000111.2C49 W119C49-C115 WeakPolarHBondContact CA-SG 3.38Å; C49-C115 HydrophobicContact CB-CB 3.69Å; C49-C115 WeakPolarHBondContact CB-SG 3.14Å; C49-C115 WeakPolarHBondContact SG-CB 3.34Å; C49-C115 CovalentContact SG-SG 1.99Å; C49-C115 PolarHBondContact SG-SG 3.16Å; C115-W119 HydrophobicContact CB-CD2 4.25Å; C115-W119 HydrophobicContact CB-CE3 4.17Å; C115-W119 HydrophobicContact CB-CH2 3.75Å; C115-W119 HydrophobicContact CB-CZ2 3.83Å; C115-W119 HydrophobicContact CB-CZ3 3.91Å; C115-W119 WeakPolarHBondContact SG-CH2 3.22Å; C115-W119 WeakPolarHBondContact SG-CZ3 3.49Å
116V84.3Confident77.8Confident107 Ų10778 Ų7865%0.64844%0.44SS*.THydrogen-bonded Turntrans-78.7-34.9-179-167.10000112G114 G118G114-V116 WeakPolarHBondContact O-CG2 3.47Å; G114-V116 PolarHBondContact O-N 3.24Å; V116-G118 VanDerWaalsContact C-N 3.26Å; V116-G118 PolarHBondContact O-N 3.47Å
117D83.5Confident79.6Confident84 Ų8473.5 Ų73.545%0.44942%0.42SS..THydrogen-bonded Turntrans-87.813.8-175.9-60.5-51.3000114K50 R90K50-D117 HydrophobicContact CB-CB 4.42Å; K50-D117 HydrophobicContact CD-CB 4.44Å; K50-D117 WeakPolarHBondContact CD-O 3.37Å; R90-D117 IonicContact CZ-OD2 3.21Å; R90-D117 IonicContact NH1-OD2 2.67Å; R90-D117 PolarHBondContact NH1-OD2 2.82Å; R90-D117 IonicContact NH2-OD2 2.87Å; R90-D117 PolarHBondContact NH2-OD2 3.11Å
118G85.7Confident81.4Confident19 Ų1970.7 Ų70.720%0.19640%0.398CS..  trans88-163.9-178.800000114.4K50 V116K50-G118 WeakPolarHBondContact CB-O 3.27Å; K50-G118 PolarHBondContact N-O 3.13Å; V116-G118 VanDerWaalsContact C-N 3.26Å; V116-G118 PolarHBondContact O-N 3.47Å
119W89Confident83.5Confident47 Ų4765.7 Ų65.718%0.17836%0.363CS..EExtended strand (participates in β ladder)trans-125.8150.2-166.4-55.993.3000112.2H47 R87 C88 C115 F121 V137 C138H47-W119 AromaticContact CD2-CE3 3.83Å; H47-W119 AromaticContact CD2-CZ3 4Å; R87-W119 WeakPolarHBondContact O-CZ3 3.44Å; C88-W119 HydrophobicContact CB-CH2 4.47Å; C115-W119 HydrophobicContact CB-CD2 4.25Å; C115-W119 HydrophobicContact CB-CE3 4.17Å; C115-W119 HydrophobicContact CB-CH2 3.75Å; C115-W119 HydrophobicContact CB-CZ2 3.83Å; C115-W119 HydrophobicContact CB-CZ3 3.91Å; C115-W119 WeakPolarHBondContact SG-CH2 3.22Å; C115-W119 WeakPolarHBondContact SG-CZ3 3.49Å; W119-F121 HydrophobicContact CB-CD2 4.3Å; W119-F121 HydrophobicContact CB-CE2 3.58Å; W119-F121 HydrophobicContact CB-CZ 3.71Å; W119-F121 HydrophobicContact CG-CE2 4.47Å; W119-F121 HydrophobicContact CG-CZ 4.22Å; W119-V137 HydrophobicContact CD2-CG2 3.49Å; W119-V137 VanDerWaalsContact CD2-CG2 3.49Å; W119-V137 HydrophobicContact CE3-CG2 3.99Å; W119-V137 HydrophobicContact CG-CG2 3.9Å; W119-V137 HydrophobicContact CH2-CG2 4.14Å; W119-V137 HydrophobicContact CZ2-CG2 3.67Å; W119-V137 HydrophobicContact CZ3-CG2 4.28Å; W119-C138 HydrophobicContact CH2-CB 4.1Å; W119-C138 WeakPolarHBondContact CH2-SG 3.5Å; W119-C138 HydrophobicContact CZ2-CB 4.3Å
120I87.2Confident85.1Confident68 Ų6857.2 Ų57.235%0.34932%0.323SS..EExtended strand (participates in β ladder)trans-114123.8167.3-61.8173.3000107.3H47 H48 K50H47-I120 VanDerWaalsContact CA-O 3.26Å; H47-I120 WeakPolarHBondContact CA-O 3.48Å; H48-I120 PolarHBondContact N-O 3.23Å; H48-I120 PolarHBondContact O-N 3.16Å; K50-I120 HydrophobicContact CB-CD1 4.47Å; K50-I120 HydrophobicContact CB-CG1 4.31Å; K50-I120 HydrophobicContact CG-CD1 4.16Å; K50-I120 HydrophobicContact CG-CG1 4.32Å
121F88.9Confident85.9Confident33 Ų3354 Ų5415%0.14531%0.306CS..EExtended strand (participates in β ladder)trans-104.6136.1-179.6-62.4-86.4000110.4P45 H47 W119 Q123 D135 V137P45-F121 HydrophobicContact CB-CB 4.31Å; P45-F121 HydrophobicContact CB-CD1 4.21Å; P45-F121 HydrophobicContact CG-CB 4.27Å; P45-F121 HydrophobicContact CG-CD1 3.77Å; P45-F121 HydrophobicContact CG-CG 4.36Å; H47-F121 HydrophobicContact CB-CD1 3.52Å; H47-F121 HydrophobicContact CB-CE1 3.72Å; H47-F121 HydrophobicContact CB-CG 4.29Å; W119-F121 HydrophobicContact CB-CD2 4.3Å; W119-F121 HydrophobicContact CB-CE2 3.58Å; W119-F121 HydrophobicContact CB-CZ 3.71Å; W119-F121 HydrophobicContact CG-CE2 4.47Å; W119-F121 HydrophobicContact CG-CZ 4.22Å; F121-Q123 PolarHBondContact O-N 3.22Å; F121-D135 VanDerWaalsContact CE2-OD1 3.3Å; F121-D135 WeakPolarHBondContact CE2-OD1 3.44Å; F121-V137 HydrophobicContact CE1-CG1 3.72Å; F121-V137 HydrophobicContact CZ-CG1 4.16Å; F121-V137 HydrophobicContact CZ-CG2 4.5Å
122D86.4Confident86.4Confident72 Ų7248.1 Ų48.139%0.38528%0.281SS..  trans-68.9125170.9-177.513000110.3V46 S124V46-D122 HydrophobicContact CB-CB 4.1Å; V46-D122 WeakPolarHBondContact O-CB 3.32Å; V46-D122 PolarHBondContact O-N 3.01Å; D122-S124 VanDerWaalsContact OD1-CB 3.29Å; D122-S124 WeakPolarHBondContact OD1-CB 3.39Å; D122-S124 PolarHBondContact OD1-N 3.17Å; D122-S124 PolarHBondContact OD1-OG 3.23Å; D122-S124 WeakPolarHBondContact OD2-CB 3.32Å; D122-S124 PolarHBondContact OD2-OG 2.81Å
123Q86.1Confident86.7Confident141 Ų14149.2 Ų49.266%0.65928%0.283SS*.THydrogen-bonded Turntrans-94.213.4-179.5-63.3-175.2-3.500113F121 F126 R255F121-Q123 PolarHBondContact O-N 3.22Å; Q123-F126 CarbonylContact C-O 3.31Å; Q123-F126 WeakPolarHBondContact CA-O 3.45Å; Q123-R255 PolarHBondContact O-NH2 2.73Å
124S84.3Confident87Confident77 Ų7748.4 Ų48.454%0.53828%0.277SS..THydrogen-bonded Turntrans-74.1-38.4-179.271.70000114D122 R255D122-S124 VanDerWaalsContact OD1-CB 3.29Å; D122-S124 WeakPolarHBondContact OD1-CB 3.39Å; D122-S124 PolarHBondContact OD1-N 3.17Å; D122-S124 PolarHBondContact OD1-OG 3.23Å; D122-S124 WeakPolarHBondContact OD2-CB 3.32Å; D122-S124 PolarHBondContact OD2-OG 2.81Å; S124-R255 PolarHBondContact O-NH1 2.96Å; S124-R255 PolarHBondContact O-NH2 3.19Å
125E80.4Confident87.2Confident61 Ų6149.4 Ų49.429%0.28527%0.272SS..THydrogen-bonded Turntrans-98.6-39.4-179.1-168.7179.5-168.700112.7R255 Y378E125-R255 PolarHBondContact O-NE 3.35Å; E125-R255 PolarHBondContact O-NH2 3Å; E125-Y378 HydrophobicContact CG-CE2 4.28Å; E125-Y378 PolarHBondContact O-OH 2.96Å; E125-Y378 VanDerWaalsContact O-OH 3.12Å
126F85.1Confident87.3Confident7 Ų748.8 Ų48.83%0.03127%0.268CS..  trans-126.8142.3176.7-56.1-80.9000110.3P45 Q123 T129 R255 I377P45-F126 HydrophobicContact CB-CD2 4.32Å; P45-F126 HydrophobicContact CG-CD2 4.47Å; Q123-F126 CarbonylContact C-O 3.31Å; Q123-F126 WeakPolarHBondContact CA-O 3.45Å; F126-T129 HydrophobicContact CB-CG2 3.6Å; F126-T129 HydrophobicContact CD1-CG2 3.83Å; F126-T129 HydrophobicContact CD2-CG2 4.31Å; F126-T129 HydrophobicContact CG-CG2 3.65Å; F126-R255 VanDerWaalsContact N-NH2 3.18Å; F126-I377 HydrophobicContact CE1-CD1 3.62Å; F126-I377 HydrophobicContact CZ-CD1 3.37Å; F126-I377 HydrophobicContact CZ-CG1 4.11Å
127S86Confident87.4Confident61 Ų6143.9 Ų43.943%0.42724%0.238SC..SBendtrans-83.1-43.8173.7-59.60000110.9R255S127-R255 PolarHBondContact N-O 3.35Å
128A88.8Confident87.5Confident29 Ų2941.2 Ų41.224%0.2423%0.225CC..BIsolated β-bridgetrans-153.5142.7173.900000109W257A128-W257 PolarHBondContact O-N 3.18Å; A128-W257 VanDerWaalsContact O-N 3.12Å
129T91.6Very high87.4Confident0 Ų045.4 Ų45.40%025%0.252CS..  trans-132.2162.1175.860.60000109.9V41 G43 F126 V131 S132 E133 W257V41-T129 WeakPolarHBondContact O-CA 3.43Å; V41-T129 WeakPolarHBondContact O-CB 3.31Å; G43-T129 WeakPolarHBondContact O-CB 3.48Å; G43-T129 WeakPolarHBondContact O-CG2 3.34Å; G43-T129 PolarHBondContact O-OG1 3.25Å; F126-T129 HydrophobicContact CB-CG2 3.6Å; F126-T129 HydrophobicContact CD1-CG2 3.83Å; F126-T129 HydrophobicContact CD2-CG2 4.31Å; F126-T129 HydrophobicContact CG-CG2 3.65Å; T129-V131 PolarHBondContact O-N 2.98Å; T129-S132 PolarHBondContact N-OG 2.69Å; T129-S132 PolarHBondContact O-N 3.43Å; T129-S132 PolarHBondContact O-OG 3.43Å; T129-S132 WeakPolarHBondContact OG1-CB 3.49Å; T129-S132 PolarHBondContact OG1-N 3.28Å; T129-S132 PolarHBondContact OG1-OG 3.23Å; T129-S132 VanDerWaalsContact OG1-OG 3.05Å; T129-E133 WeakPolarHBondContact O-CB 3.35Å; T129-E133 PolarHBondContact O-N 3.29Å; T129-W257 VanDerWaalsContact CA-CD1 3.41Å
130T89.7Confident87.3Confident0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-59.3-29.9171.251.90000111.8V41 S42 W134 Y198 W257V41-T130 HydrophobicContact CG1-CG2 3.5Å; V41-T130 VanDerWaalsContact CG1-CG2 3.5Å; V41-T130 PolarHBondContact O-N 2.89Å; V41-T130 PolarHBondContact O-OG1 3.04Å; S42-T130 VanDerWaalsContact CA-OG1 3.28Å; S42-T130 WeakPolarHBondContact CA-OG1 3.49Å; S42-T130 WeakPolarHBondContact CB-OG1 3.17Å; S42-T130 PolarHBondContact OG-OG1 3.42Å; T130-W134 HydrophobicContact CG2-CH2 4.34Å; T130-W134 HydrophobicContact CG2-CZ3 3.83Å; T130-W134 PolarHBondContact O-N 3.06Å; T130-Y198 HydrophobicContact CG2-CE1 4.01Å; T130-Y198 HydrophobicContact CG2-CE2 4.46Å; T130-W257 HydrophobicContact CG2-CD2 3.73Å; T130-W257 HydrophobicContact CG2-CE3 3.77Å; T130-W257 HydrophobicContact CG2-CG 4.31Å; T130-W257 HydrophobicContact CG2-CH2 4.19Å; T130-W257 HydrophobicContact CG2-CZ2 4.15Å; T130-W257 HydrophobicContact CG2-CZ3 4.02Å
131V88.8Confident87.1Confident0 Ų048.1 Ų48.10%026%0.263CS..Hα-helixtrans-69.1-46.1176.3174.40000111I44 T129 E133 D135 L136 V137 K144I44-V131 HydrophobicContact CG1-CG1 4.32Å; I44-V131 HydrophobicContact CG1-CG2 4.34Å; T129-V131 PolarHBondContact O-N 2.98Å; V131-E133 VanDerWaalsContact C-N 3.32Å; V131-D135 CarbonylContact O-C 3.42Å; V131-D135 VanDerWaalsContact O-CA 3.31Å; V131-D135 WeakPolarHBondContact O-CA 3.29Å; V131-D135 PolarHBondContact O-N 3.38Å; V131-L136 HydrophobicContact CB-CB 4.48Å; V131-L136 HydrophobicContact CG1-CB 4.27Å; V131-L136 HydrophobicContact CG2-CB 4.46Å; V131-L136 PolarHBondContact O-N 2.79Å; V131-V137 HydrophobicContact CG1-CG1 3.67Å; V131-K144 HydrophobicContact CG2-CB 4.43Å; V131-K144 HydrophobicContact CG2-CD 4.35Å
132S88.5Confident87.1Confident26 Ų2648 Ų4818%0.18227%0.266CS..Hα-helixtrans-75.7-20-179.863.90000113.7T129T129-S132 PolarHBondContact N-OG 2.69Å; T129-S132 PolarHBondContact O-N 3.43Å; T129-S132 PolarHBondContact O-OG 3.43Å; T129-S132 WeakPolarHBondContact OG1-CB 3.49Å; T129-S132 PolarHBondContact OG1-N 3.28Å; T129-S132 PolarHBondContact OG1-OG 3.23Å; T129-S132 VanDerWaalsContact OG1-OG 3.05Å
133E90.1Very high87.2Confident77 Ų7746.8 Ų46.836%0.3626%0.259SS..Hα-helixtrans-85.6-31-179.7-174.7162.5-178.900113.1T129 V131 W257 R258T129-E133 WeakPolarHBondContact O-CB 3.35Å; T129-E133 PolarHBondContact O-N 3.29Å; V131-E133 VanDerWaalsContact C-N 3.32Å; E133-W257 VanDerWaalsContact OE2-CE2 3.23Å; E133-W257 WeakPolarHBondContact OE2-CZ2 3.34Å; E133-W257 PolarHBondContact OE2-NE1 3.2Å; E133-R258 IonicContact OE1-CZ 3.21Å; E133-R258 IonicContact OE1-NE 3.9Å; E133-R258 PolarHBondContact OE1-NE 3.31Å; E133-R258 IonicContact OE1-NH2 3.09Å; E133-R258 PolarHBondContact OE1-NH2 3.37Å; E133-R258 IonicContact OE2-CZ 2.8Å; E133-R258 IonicContact OE2-NE 3.25Å; E133-R258 PolarHBondContact OE2-NE 3.02Å; E133-R258 IonicContact OE2-NH2 3.45Å; E133-R258 PolarHBondContact OE2-NH2 2.89Å
134W90.8Very high87.3Confident45 Ų4540.9 Ų40.917%0.1723%0.231CC..THydrogen-bonded Turntrans-115.518.8177.5-57.7-47.1000113T130 L136 P193 Y195 Y198 W257T130-W134 HydrophobicContact CG2-CH2 4.34Å; T130-W134 HydrophobicContact CG2-CZ3 3.83Å; T130-W134 PolarHBondContact O-N 3.06Å; W134-L136 VanDerWaalsContact C-N 3.27Å; W134-L136 HydrophobicContact CB-CD1 4.43Å; W134-L136 HydrophobicContact CB-CD2 4.03Å; W134-L136 HydrophobicContact CB-CG 3.96Å; W134-L136 HydrophobicContact CE3-CD1 4.23Å; W134-L136 WeakPolarHBondContact O-CD2 3.5Å; W134-L136 PolarHBondContact O-N 3.23Å; W134-P193 PolarHBondContact NE1-O 2.98Å; W134-Y195 AromaticContact CE3-CD2 3.85Å; W134-Y195 HydrophobicContact CE3-CD2 3.85Å; W134-Y195 HydrophobicContact CE3-CG 4.47Å; W134-Y195 HydrophobicContact CZ3-CD2 4.22Å; W134-Y198 VanDerWaalsContact CH2-CB 3.42Å; W134-Y198 HydrophobicContact CH2-CD1 4.01Å; W134-Y198 HydrophobicContact CH2-CD2 4.13Å; W134-Y198 AromaticContact CH2-CG 3.59Å; W134-Y198 HydrophobicContact CH2-CG 3.59Å; W134-Y198 AromaticContact CZ3-CD1 3.86Å; W134-Y198 HydrophobicContact CZ3-CD1 3.86Å; W134-Y198 AromaticContact CZ3-CG 3.95Å; W134-Y198 HydrophobicContact CZ3-CG 3.95Å; W134-W257 HydrophobicContact CH2-CH2 4.27Å; W134-W257 HydrophobicContact CH2-CZ2 4.41Å
135D89.7Confident87.5Confident65 Ų6538.6 Ų38.635%0.34821%0.212SC..THydrogen-bonded Turntrans48.943.5177.4-64.6-36.7000114.1F121 V131 V137F121-D135 VanDerWaalsContact CE2-OD1 3.3Å; F121-D135 WeakPolarHBondContact CE2-OD1 3.44Å; V131-D135 CarbonylContact O-C 3.42Å; V131-D135 VanDerWaalsContact O-CA 3.31Å; V131-D135 WeakPolarHBondContact O-CA 3.29Å; V131-D135 PolarHBondContact O-N 3.38Å; D135-V137 PolarHBondContact O-N 3.45Å
136L88.6Confident88Confident6 Ų639.1 Ų39.13%0.03122%0.215CC..  trans-80.751-175-52.5175.8000112.5V131 W134 L143 I147 Y195V131-L136 HydrophobicContact CB-CB 4.48Å; V131-L136 HydrophobicContact CG1-CB 4.27Å; V131-L136 HydrophobicContact CG2-CB 4.46Å; V131-L136 PolarHBondContact O-N 2.79Å; W134-L136 VanDerWaalsContact C-N 3.27Å; W134-L136 HydrophobicContact CB-CD1 4.43Å; W134-L136 HydrophobicContact CB-CD2 4.03Å; W134-L136 HydrophobicContact CB-CG 3.96Å; W134-L136 HydrophobicContact CE3-CD1 4.23Å; W134-L136 WeakPolarHBondContact O-CD2 3.5Å; W134-L136 PolarHBondContact O-N 3.23Å; L136-L143 HydrophobicContact CD2-CB 4.18Å; L136-L143 HydrophobicContact CD2-CD1 3.75Å; L136-I147 HydrophobicContact CD1-CD1 4.47Å; L136-Y195 HydrophobicContact CD1-CD2 3.79Å; L136-Y195 HydrophobicContact CD1-CE2 3.77Å; L136-Y195 HydrophobicContact CD2-CD2 4.21Å; L136-Y195 HydrophobicContact CD2-CE2 4.4Å
137V86.8Confident88.4Confident4 Ų438.8 Ų38.82%0.02421%0.213CC..  trans-113.7166.2-178.3-66.80000111.8I44 W119 F121 V131 D135 S139 L140I44-V137 HydrophobicContact CG2-CG1 4.5Å; W119-V137 HydrophobicContact CD2-CG2 3.49Å; W119-V137 VanDerWaalsContact CD2-CG2 3.49Å; W119-V137 HydrophobicContact CE3-CG2 3.99Å; W119-V137 HydrophobicContact CG-CG2 3.9Å; W119-V137 HydrophobicContact CH2-CG2 4.14Å; W119-V137 HydrophobicContact CZ2-CG2 3.67Å; W119-V137 HydrophobicContact CZ3-CG2 4.28Å; F121-V137 HydrophobicContact CE1-CG1 3.72Å; F121-V137 HydrophobicContact CZ-CG1 4.16Å; F121-V137 HydrophobicContact CZ-CG2 4.5Å; V131-V137 HydrophobicContact CG1-CG1 3.67Å; D135-V137 PolarHBondContact O-N 3.45Å; V137-S139 PolarHBondContact O-N 3.41Å; V137-S139 VanDerWaalsContact O-N 3.12Å; V137-L140 PolarHBondContact O-N 2.92Å
138C85.2Confident88.6Confident27 Ų2735.9 Ų35.918%0.18219%0.193CC..G310 helixtrans55.1-113.6176.2-53.60000112.5C88 W119 L140 R141C88-C138 WeakPolarHBondContact CA-SG 3.32Å; C88-C138 HydrophobicContact CB-CB 3.78Å; C88-C138 WeakPolarHBondContact CB-SG 3.43Å; C88-C138 WeakPolarHBondContact SG-CB 3.41Å; C88-C138 CovalentContact SG-SG 2.02Å; C88-C138 PolarHBondContact SG-SG 3.24Å; W119-C138 HydrophobicContact CH2-CB 4.1Å; W119-C138 WeakPolarHBondContact CH2-SG 3.5Å; W119-C138 HydrophobicContact CZ2-CB 4.3Å; C138-L140 PolarHBondContact O-N 3.39Å; C138-L140 VanDerWaalsContact O-N 3.16Å; C138-R141 WeakPolarHBondContact O-CB 3.29Å; C138-R141 PolarHBondContact O-N 3.25Å; C138-R141 VanDerWaalsContact O-N 3.1Å
139S84.3Confident88.8Confident107 Ų10736 Ų3675%0.74819%0.191SC*.G310 helixtrans-61.4-23.3178.955.60000113.8V137V137-S139 PolarHBondContact O-N 3.41Å; V137-S139 VanDerWaalsContact O-N 3.12Å
140L86.2Confident89Confident78 Ų7838.2 Ų38.241%0.40820%0.202SC..G310 helixtrans-98.61.4180-62.3-179.7000113.2V137 C138 P142 L143V137-L140 PolarHBondContact O-N 2.92Å; C138-L140 PolarHBondContact O-N 3.39Å; C138-L140 VanDerWaalsContact O-N 3.16Å; L140-P142 VanDerWaalsContact C-N 3.31Å; L140-L143 HydrophobicContact CB-CD1 4.07Å; L140-L143 HydrophobicContact CD2-CD1 3.84Å; L140-L143 HydrophobicContact CG-CD1 4.42Å; L140-L143 VanDerWaalsContact O-CB 3.26Å; L140-L143 WeakPolarHBondContact O-CB 3.36Å; L140-L143 WeakPolarHBondContact O-CG 3.45Å; L140-L143 PolarHBondContact O-N 3.12Å
141R84.1Confident89.2Confident95 Ų9538.2 Ų38.236%0.35820%0.202SC..THydrogen-bonded Turntrans-54-36.2177.2-176.9-178-174.5-141-3.1113.8I44 C138 L143 K144 D489 E490I44-R141 HydrophobicContact CD1-CG 4.1Å; C138-R141 WeakPolarHBondContact O-CB 3.29Å; C138-R141 PolarHBondContact O-N 3.25Å; C138-R141 VanDerWaalsContact O-N 3.1Å; R141-L143 PolarHBondContact O-N 2.92Å; R141-K144 WeakPolarHBondContact O-CB 3.22Å; R141-K144 PolarHBondContact O-N 3.17Å; R141-D489 IonicContact CZ-OD2 3.72Å; R141-D489 IonicContact NH1-OD2 3.68Å; R141-D489 PolarHBondContact NH1-OD2 3.43Å; R141-D489 IonicContact NH2-OD2 2.83Å; R141-D489 PolarHBondContact NH2-OD2 3.44Å; R141-E490 WeakPolarHBondContact CB-OE1 3.44Å
142P87.6Confident89.4Confident31 Ų3138.2 Ų38.220%0.20120%0.202CC..Hα-helixtrans-60.3-26.3176.7-27.237.2000114.2L140 K144 Q145 M146 I487 E490L140-P142 VanDerWaalsContact C-N 3.31Å; P142-K144 PolarHBondContact O-N 3.05Å; P142-Q145 PolarHBondContact O-N 3.22Å; P142-M146 PolarHBondContact O-N 3.41Å; P142-M146 VanDerWaalsContact O-N 3.08Å; P142-I487 HydrophobicContact CB-CD1 4.31Å; P142-I487 HydrophobicContact CB-CG1 4.23Å; P142-I487 HydrophobicContact CB-CG2 3.89Å; P142-I487 HydrophobicContact CG-CG2 4.06Å; P142-E490 WeakPolarHBondContact CD-OE1 3.32Å; P142-E490 WeakPolarHBondContact CG-OE1 3.49Å
143L88.8Confident89.7Confident46 Ų4637.4 Ų37.424%0.24120%0.198CC..Hα-helixtrans-62.7-27-179.2-63.2-178.8000112.6L136 L140 R141 M146 I147 Y195L136-L143 HydrophobicContact CD2-CB 4.18Å; L136-L143 HydrophobicContact CD2-CD1 3.75Å; L140-L143 HydrophobicContact CB-CD1 4.07Å; L140-L143 HydrophobicContact CD2-CD1 3.84Å; L140-L143 HydrophobicContact CG-CD1 4.42Å; L140-L143 VanDerWaalsContact O-CB 3.26Å; L140-L143 WeakPolarHBondContact O-CB 3.36Å; L140-L143 WeakPolarHBondContact O-CG 3.45Å; L140-L143 PolarHBondContact O-N 3.12Å; R141-L143 PolarHBondContact O-N 2.92Å; L143-M146 HydrophobicContact CD2-CE 3.24Å; L143-M146 HydrophobicContact CD2-SD 4.5Å; L143-M146 HydrophobicContact CG-CE 4.5Å; L143-M146 PolarHBondContact O-N 2.94Å; L143-I147 PolarHBondContact O-N 3.44Å; L143-Y195 HydrophobicContact CB-CE2 4.09Å; L143-Y195 PolarHBondContact O-OH 2.66Å
144K87.8Confident90Very high16 Ų1633.8 Ų33.87%0.0718%0.181CC..Hα-helixtrans-60.8-46.3171.2165.1-179.1172.8162.60111.8S42 I44 V131 R141 P142 M146 I147S42-K144 WeakPolarHBondContact O-CD 3.37Å; S42-K144 WeakPolarHBondContact O-CE 3.45Å; S42-K144 PolarHBondContact O-NZ 2.79Å; I44-K144 HydrophobicContact CD1-CD 4Å; I44-K144 HydrophobicContact CG1-CD 3.91Å; V131-K144 HydrophobicContact CG2-CB 4.43Å; V131-K144 HydrophobicContact CG2-CD 4.35Å; R141-K144 WeakPolarHBondContact O-CB 3.22Å; R141-K144 PolarHBondContact O-N 3.17Å; P142-K144 PolarHBondContact O-N 3.05Å; K144-M146 VanDerWaalsContact C-N 3.31Å; K144-I147 PolarHBondContact O-N 3.26Å
145Q89Confident90.1Very high29 Ų2931.6 Ų31.614%0.13617%0.173CC..Hα-helixtrans-70.7-34.9-179.1-63.7-59.3-8.900110.7P142 I147 Q148 T149 P483 L486 I487P142-Q145 PolarHBondContact O-N 3.22Å; Q145-I147 VanDerWaalsContact C-N 3.33Å; Q145-I147 PolarHBondContact O-N 3.41Å; Q145-Q148 PolarHBondContact O-N 3.01Å; Q145-Q148 VanDerWaalsContact O-N 3.09Å; Q145-T149 PolarHBondContact O-N 3.33Å; Q145-T149 PolarHBondContact O-OG1 2.91Å; Q145-P483 WeakPolarHBondContact CB-O 3.37Å; Q145-L486 HydrophobicContact CG-CB 4.09Å; Q145-I487 HydrophobicContact CB-CD1 4.28Å; Q145-I487 HydrophobicContact CB-CG1 3.82Å; Q145-I487 HydrophobicContact CG-CG1 4.16Å
146M91.3Very high90.3Very high72 Ų7229.6 Ų29.636%0.35516%0.162SC..Hα-helixtrans-59.7-39174.9-170.817063.800112.8P142 L143 K144 Q148 T149 I150 Y195P142-M146 PolarHBondContact O-N 3.41Å; P142-M146 VanDerWaalsContact O-N 3.08Å; L143-M146 HydrophobicContact CD2-CE 3.24Å; L143-M146 HydrophobicContact CD2-SD 4.5Å; L143-M146 HydrophobicContact CG-CE 4.5Å; L143-M146 PolarHBondContact O-N 2.94Å; K144-M146 VanDerWaalsContact C-N 3.31Å; M146-Q148 VanDerWaalsContact C-N 3.25Å; M146-Q148 PolarHBondContact O-N 3.19Å; M146-T149 PolarHBondContact O-N 3.11Å; M146-I150 HydrophobicContact CG-CD1 3.78Å; M146-I150 HydrophobicContact CG-CG1 4.17Å; M146-I150 WeakPolarHBondContact O-CB 3.25Å; M146-I150 VanDerWaalsContact O-CG1 3.23Å; M146-I150 WeakPolarHBondContact O-CG1 2.88Å; M146-I150 PolarHBondContact O-N 2.79Å; M146-Y195 HydrophobicContact CE-CE1 3.89Å; M146-Y195 WeakPolarHBondContact CE-OH 3.48Å
147I92.3Very high90.5Very high0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-53.3-46.1173.4-70.3165.3000110.7N38 L136 L143 K144 Q145 I150 Y151 Y195 Y198 R202N38-I147 WeakPolarHBondContact OD1-CG2 3.24Å; L136-I147 HydrophobicContact CD1-CD1 4.47Å; L143-I147 PolarHBondContact O-N 3.44Å; K144-I147 PolarHBondContact O-N 3.26Å; Q145-I147 VanDerWaalsContact C-N 3.33Å; Q145-I147 PolarHBondContact O-N 3.41Å; I147-I150 PolarHBondContact O-N 3.23Å; I147-Y151 WeakPolarHBondContact O-CB 3.11Å; I147-Y151 PolarHBondContact O-N 3.06Å; I147-Y195 HydrophobicContact CD1-CD2 4.32Å; I147-Y195 HydrophobicContact CD1-CE2 3.64Å; I147-Y195 HydrophobicContact CG1-CE2 3.66Å; I147-Y198 HydrophobicContact CD1-CD1 4.19Å; I147-Y198 HydrophobicContact CD1-CE1 4.03Å; I147-Y198 HydrophobicContact CG1-CD1 4.42Å; I147-Y198 HydrophobicContact CG1-CE1 4.39Å; I147-Y198 HydrophobicContact CG2-CD1 4.37Å; I147-Y198 HydrophobicContact CG2-CE1 3.71Å; I147-R202 HydrophobicContact CG2-CG 4.43Å
148Q91.3Very high90.8Very high1 Ų131.6 Ų31.61%0.00517%0.174CC..Hα-helixtrans-72.9-39.4-177.4-17162.211.400112.1N35 Q145 M146 Y151 M152 M368 P483N35-Q148 PolarHBondContact O-NE2 3.41Å; Q145-Q148 PolarHBondContact O-N 3.01Å; Q145-Q148 VanDerWaalsContact O-N 3.09Å; M146-Q148 VanDerWaalsContact C-N 3.25Å; M146-Q148 PolarHBondContact O-N 3.19Å; Q148-Y151 PolarHBondContact O-N 3.01Å; Q148-M152 WeakPolarHBondContact O-CG 2.88Å; Q148-M152 PolarHBondContact O-N 3.38Å; Q148-M368 HydrophobicContact CG-CE 3.69Å; Q148-M368 HydrophobicContact CG-SD 3.61Å; Q148-P483 HydrophobicContact CB-CB 3.96Å; Q148-P483 HydrophobicContact CB-CG 4.14Å; Q148-P483 HydrophobicContact CG-CB 3.96Å; Q148-P483 HydrophobicContact CG-CG 3.82Å
149T93Very high91Very high31 Ų3131.1 Ų31.119%0.1917%0.172CC..Hα-helixtrans-60.6-44.1172.6-640000111.2Q145 M146 M152 G153 M480 A484Q145-T149 PolarHBondContact O-N 3.33Å; Q145-T149 PolarHBondContact O-OG1 2.91Å; M146-T149 PolarHBondContact O-N 3.11Å; T149-M152 PolarHBondContact O-N 2.97Å; T149-G153 PolarHBondContact O-N 3.5Å; T149-M480 HydrophobicContact CG2-CG 3.88Å; T149-M480 PolarHBondContact OG1-O 2.83Å; T149-A484 PolarHBondContact OG1-N 2.77Å
150I95.1Very high91.3Very high47 Ų4731.1 Ų31.124%0.24116%0.163CC..Hα-helixtrans-61.1-46.4175.8-71.9169.7000110.4M146 I147 M152 G153 G154 C199 F203M146-I150 HydrophobicContact CG-CD1 3.78Å; M146-I150 HydrophobicContact CG-CG1 4.17Å; M146-I150 WeakPolarHBondContact O-CB 3.25Å; M146-I150 VanDerWaalsContact O-CG1 3.23Å; M146-I150 WeakPolarHBondContact O-CG1 2.88Å; M146-I150 PolarHBondContact O-N 2.79Å; I147-I150 PolarHBondContact O-N 3.23Å; I150-M152 PolarHBondContact O-N 3.35Å; I150-G153 PolarHBondContact O-N 3Å; I150-G154 PolarHBondContact O-N 3.32Å; I150-C199 HydrophobicContact CD1-CB 4.01Å; I150-F203 HydrophobicContact CG2-CB 3.69Å; I150-F203 HydrophobicContact CG2-CD2 4.1Å; I150-F203 HydrophobicContact CG2-CG 4.38Å; I150-F203 WeakPolarHBondContact O-CD2 3.43Å
151Y94.5Very high91.6Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-58-46.4175.7172.2-92.3000111.9Q34 N35 I147 Q148 G153 G154 V155 R202 L209Q34-Y151 WeakPolarHBondContact CB-OH 3.46Å; Q34-Y151 PolarHBondContact O-OH 2.65Å; N35-Y151 VanDerWaalsContact OD1-CE1 3.31Å; N35-Y151 WeakPolarHBondContact OD1-CE1 3.45Å; N35-Y151 PolarHBondContact OD1-OH 2.82Å; I147-Y151 WeakPolarHBondContact O-CB 3.11Å; I147-Y151 PolarHBondContact O-N 3.06Å; Q148-Y151 PolarHBondContact O-N 3.01Å; Y151-G153 PolarHBondContact O-N 3Å; Y151-G154 WeakPolarHBondContact O-CA 3.25Å; Y151-G154 PolarHBondContact O-N 3.21Å; Y151-G154 VanDerWaalsContact O-N 3.12Å; Y151-V155 HydrophobicContact CD1-CG2 4.4Å; Y151-V155 HydrophobicContact CE1-CG2 3.97Å; Y151-V155 WeakPolarHBondContact O-CG2 3.25Å; Y151-V155 PolarHBondContact O-N 3.08Å; Y151-R202 WeakPolarHBondContact CD2-O 3.38Å; Y151-L209 WeakPolarHBondContact OH-CD2 3.37Å
152M93.1Very high91.9Very high0 Ų026.2 Ų26.20%015%0.146CC..Hα-helixtrans-67.3-33.5177-72.2-62.8-174.200113Q148 T149 I150 G154 V155 L156 Y364 M368 M480Q148-M152 WeakPolarHBondContact O-CG 2.88Å; Q148-M152 PolarHBondContact O-N 3.38Å; T149-M152 PolarHBondContact O-N 2.97Å; I150-M152 PolarHBondContact O-N 3.35Å; M152-G154 VanDerWaalsContact C-N 3.29Å; M152-V155 WeakPolarHBondContact O-CB 3.42Å; M152-V155 PolarHBondContact O-N 3.48Å; M152-V155 HydrophobicContact SD-CG2 4.47Å; M152-L156 PolarHBondContact O-N 3.41Å; M152-Y364 HydrophobicContact CE-CD1 3.81Å; M152-Y364 HydrophobicContact CE-CE1 3.71Å; M152-Y364 HydrophobicContact CE-CG 4.38Å; M152-M368 HydrophobicContact CE-CE 3.4Å; M152-M368 VanDerWaalsContact CE-CE 3.4Å; M152-M480 HydrophobicContact CB-CB 3.97Å; M152-M480 HydrophobicContact CB-CG 4.36Å
153G94.9Very high91.7Very high9 Ų925.7 Ų25.79%0.09315%0.146CC..Hα-helixtrans-63.4-36.8169.800000112.1T149 I150 Y151 L156 T157T149-G153 PolarHBondContact O-N 3.5Å; I150-G153 PolarHBondContact O-N 3Å; Y151-G153 PolarHBondContact O-N 3Å; G153-L156 PolarHBondContact O-N 2.96Å; G153-T157 WeakPolarHBondContact O-CB 3.41Å; G153-T157 PolarHBondContact O-N 3.42Å; G153-T157 PolarHBondContact O-OG1 2.98Å
154G95.1Very high91.5Very high0 Ų025.3 Ų25.30%015%0.154CC..Hα-helixtrans-59.5-48.2168.500000111.9I150 Y151 M152 L156 T157 G158 F203 M207I150-G154 PolarHBondContact O-N 3.32Å; Y151-G154 WeakPolarHBondContact O-CA 3.25Å; Y151-G154 PolarHBondContact O-N 3.21Å; Y151-G154 VanDerWaalsContact O-N 3.12Å; M152-G154 VanDerWaalsContact C-N 3.29Å; G154-L156 VanDerWaalsContact C-N 3.33Å; G154-L156 PolarHBondContact O-N 3.46Å; G154-T157 PolarHBondContact O-N 3.49Å; G154-G158 PolarHBondContact O-N 3.44Å; G154-F203 WeakPolarHBondContact CA-O 3.45Å; G154-M207 WeakPolarHBondContact O-CA 3.22Å; G154-M207 WeakPolarHBondContact O-CG 3.22Å; G154-M207 PolarHBondContact O-N 3.19Å
155V93.5Very high91.5Very high0 Ų027.3 Ų27.30%017%0.165CC..Hα-helixtrans-58.4-43.5176.4177.20000111.8Y151 M152 A159 G206 L209 S210Y151-V155 HydrophobicContact CD1-CG2 4.4Å; Y151-V155 HydrophobicContact CE1-CG2 3.97Å; Y151-V155 WeakPolarHBondContact O-CG2 3.25Å; Y151-V155 PolarHBondContact O-N 3.08Å; M152-V155 WeakPolarHBondContact O-CB 3.42Å; M152-V155 PolarHBondContact O-N 3.48Å; M152-V155 HydrophobicContact SD-CG2 4.47Å; V155-A159 PolarHBondContact O-N 3.18Å; V155-G206 VanDerWaalsContact CA-O 3.31Å; V155-G206 WeakPolarHBondContact CA-O 3.39Å; V155-G206 WeakPolarHBondContact CG2-O 3.48Å; V155-L209 HydrophobicContact CG2-CD2 4.22Å; V155-S210 WeakPolarHBondContact O-CB 3.46Å; V155-S210 PolarHBondContact O-OG 3.16Å; V155-S210 VanDerWaalsContact O-OG 3.04Å
156L93.1Very high91.5Very high23 Ų2326.4 Ų26.412%0.1216%0.162CC..Hα-helixtrans-62.1-50.6176.1171.463.4000111.4M152 G153 G154 G158 A159 I160 T473 R476 I477 M480M152-L156 PolarHBondContact O-N 3.41Å; G153-L156 PolarHBondContact O-N 2.96Å; G154-L156 VanDerWaalsContact C-N 3.33Å; G154-L156 PolarHBondContact O-N 3.46Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.02Å; L156-A159 WeakPolarHBondContact O-CB 3.27Å; L156-A159 PolarHBondContact O-N 3.04Å; L156-A159 VanDerWaalsContact O-N 3.08Å; L156-I160 HydrophobicContact CD1-CD1 4.45Å; L156-I160 PolarHBondContact O-N 3.46Å; L156-T473 HydrophobicContact CD1-CG2 3.58Å; L156-R476 HydrophobicContact CB-CB 4.11Å; L156-R476 HydrophobicContact CD1-CB 3.8Å; L156-I477 HydrophobicContact CD1-CG1 4.21Å; L156-I477 HydrophobicContact CD2-CG1 3.74Å; L156-M480 HydrophobicContact CD2-SD 4.39Å
157T94.5Very high91.2Very high51 Ų5127.3 Ų27.331%0.31317%0.168SC..Hα-helixtrans-60.9-43.6179.5-54.10000111G153 G154 A159 I160 V161 F203 M207G153-T157 WeakPolarHBondContact O-CB 3.41Å; G153-T157 PolarHBondContact O-N 3.42Å; G153-T157 PolarHBondContact O-OG1 2.98Å; G154-T157 PolarHBondContact O-N 3.49Å; T157-A159 VanDerWaalsContact C-N 3.27Å; T157-A159 PolarHBondContact O-N 3.18Å; T157-I160 PolarHBondContact O-N 3.26Å; T157-V161 HydrophobicContact CG2-CG2 4.27Å; T157-V161 WeakPolarHBondContact O-CB 3.34Å; T157-V161 WeakPolarHBondContact O-CG2 3.28Å; T157-V161 PolarHBondContact O-N 2.89Å; T157-F203 HydrophobicContact CG2-CZ 4.25Å; T157-M207 HydrophobicContact CG2-CE 4.17Å; T157-M207 HydrophobicContact CG2-SD 4.37Å
158G92.6Very high90.8Very high0 Ų036.9 Ų36.90%020%0.204CC..Hα-helixtrans-61.5-33.5175.300000112.8G154 L156 I160 F162G154-G158 PolarHBondContact O-N 3.44Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.02Å; G158-I160 PolarHBondContact O-N 3.43Å; G158-F162 WeakPolarHBondContact O-CA 3.31Å; G158-F162 VanDerWaalsContact O-CB 3.24Å; G158-F162 WeakPolarHBondContact O-CB 3.45Å; G158-F162 PolarHBondContact O-N 3.21Å
159A89.9Confident90.7Very high17 Ų1743 Ų4314%0.1423%0.231CC..Hα-helixtrans-64.4-42.8178.200000111.7V155 L156 T157 G163 S210 L214V155-A159 PolarHBondContact O-N 3.18Å; L156-A159 WeakPolarHBondContact O-CB 3.27Å; L156-A159 PolarHBondContact O-N 3.04Å; L156-A159 VanDerWaalsContact O-N 3.08Å; T157-A159 VanDerWaalsContact C-N 3.27Å; T157-A159 PolarHBondContact O-N 3.18Å; A159-G163 WeakPolarHBondContact O-CA 3.49Å; A159-G163 PolarHBondContact O-N 2.99Å; A159-S210 WeakPolarHBondContact CA-OG 3.25Å; A159-S210 VanDerWaalsContact CB-OG 3.25Å; A159-S210 WeakPolarHBondContact CB-OG 3.5Å; A159-S210 PolarHBondContact N-OG 2.82Å; A159-L214 HydrophobicContact CB-CD1 3.86Å
160I89.3Confident90.4Very high108 Ų10841.6 Ų41.655%0.55422%0.222SC*.Hα-helixtrans-70-49.1179.4-60.4171.2000110L156 T157 G158 G164L156-I160 HydrophobicContact CD1-CD1 4.45Å; L156-I160 PolarHBondContact O-N 3.46Å; T157-I160 PolarHBondContact O-N 3.26Å; G158-I160 PolarHBondContact O-N 3.43Å; I160-G164 PolarHBondContact O-N 3.46Å
161V91.9Very high90.2Very high60 Ų6040.5 Ų40.536%0.36422%0.215SC..Hα-helixtrans-70.3-54.5-175.5174.80000111.6T157 G163 G164 L165T157-V161 HydrophobicContact CG2-CG2 4.27Å; T157-V161 WeakPolarHBondContact O-CB 3.34Å; T157-V161 WeakPolarHBondContact O-CG2 3.28Å; T157-V161 PolarHBondContact O-N 2.89Å; V161-G163 VanDerWaalsContact C-N 3.32Å; V161-G163 PolarHBondContact O-N 2.62Å; V161-G164 PolarHBondContact O-N 2.83Å; V161-L165 HydrophobicContact CG1-CD1 3.72Å; V161-L165 HydrophobicContact CG1-CG 4.39Å; V161-L165 WeakPolarHBondContact O-CB 3.14Å; V161-L165 VanDerWaalsContact O-CG 3.29Å; V161-L165 WeakPolarHBondContact O-CG 3.3Å; V161-L165 PolarHBondContact O-N 2.8Å
162F90.4Very high90.1Very high9 Ų942.5 Ų42.54%0.03922%0.224CC..Hα-helixtrans-73.5-24.6-178.7-66.6-49.5000113.2G158 L165 S166 V174 Q181 M207G158-F162 WeakPolarHBondContact O-CA 3.31Å; G158-F162 VanDerWaalsContact O-CB 3.24Å; G158-F162 WeakPolarHBondContact O-CB 3.45Å; G158-F162 PolarHBondContact O-N 3.21Å; F162-L165 HydrophobicContact CD1-CD1 3.8Å; F162-L165 HydrophobicContact CE1-CD1 4.05Å; F162-S166 VanDerWaalsContact O-CB 3.25Å; F162-S166 WeakPolarHBondContact O-CB 3.5Å; F162-S166 PolarHBondContact O-N 3.06Å; F162-V174 HydrophobicContact CB-CG1 3.85Å; F162-V174 HydrophobicContact CD1-CG1 3.64Å; F162-V174 HydrophobicContact CG-CG1 4.01Å; F162-Q181 VanDerWaalsContact CZ-OE1 3.3Å; F162-M207 VanDerWaalsContact CD2-O 3.27Å; F162-M207 WeakPolarHBondContact CD2-O 3.47Å; F162-M207 HydrophobicContact CE2-CB 4.13Å; F162-M207 VanDerWaalsContact CE2-O 3.27Å; F162-M207 WeakPolarHBondContact CE2-O 3.26Å
163G84.8Confident90.1Very high20 Ų2045.4 Ų45.421%0.20624%0.244CC..Hα-helixtrans-58.2-58166.500000111A159 V161 L165 S166A159-G163 WeakPolarHBondContact O-CA 3.49Å; A159-G163 PolarHBondContact O-N 2.99Å; V161-G163 VanDerWaalsContact C-N 3.32Å; V161-G163 PolarHBondContact O-N 2.62Å; G163-L165 PolarHBondContact O-N 3.29Å; G163-S166 WeakPolarHBondContact O-CB 3.11Å; G163-S166 PolarHBondContact O-N 3.47Å; G163-S166 PolarHBondContact O-OG 3.26Å
164G83.9Confident90.1Very high39 Ų3945.4 Ų45.440%0.40224%0.242SC..Hα-helixtrans-64.1-36.5179.100000114.1I160 V161 S166 D167I160-G164 PolarHBondContact O-N 3.46Å; V161-G164 PolarHBondContact O-N 2.83Å; G164-S166 VanDerWaalsContact C-N 3.33Å; G164-D167 PolarHBondContact O-N 2.96Å
165L88.7Confident90Very high58 Ų5845.4 Ų45.430%0.30424%0.242SC..Hα-helixtrans-66.4-34.8175.1-72171.2000112.1V161 F162 G163 D167 R168 F169 V174V161-L165 HydrophobicContact CG1-CD1 3.72Å; V161-L165 HydrophobicContact CG1-CG 4.39Å; V161-L165 WeakPolarHBondContact O-CB 3.14Å; V161-L165 VanDerWaalsContact O-CG 3.29Å; V161-L165 WeakPolarHBondContact O-CG 3.3Å; V161-L165 PolarHBondContact O-N 2.8Å; F162-L165 HydrophobicContact CD1-CD1 3.8Å; F162-L165 HydrophobicContact CE1-CD1 4.05Å; G163-L165 PolarHBondContact O-N 3.29Å; L165-D167 PolarHBondContact O-N 2.84Å; L165-R168 PolarHBondContact O-N 3.35Å; L165-R168 VanDerWaalsContact O-N 3.16Å; L165-F169 HydrophobicContact CB-CD2 4.37Å; L165-F169 HydrophobicContact CD2-CD2 3.7Å; L165-F169 HydrophobicContact CD2-CE2 3.54Å; L165-F169 PolarHBondContact O-N 2.98Å; L165-V174 HydrophobicContact CB-CG2 4.03Å
166S87.8Confident90.1Very high10 Ų1046.4 Ų46.47%0.0725%0.247CC..Hα-helixtrans-64.3-29.5-179.776.30000113.5F162 G163 G164 G170 R171 N215F162-S166 VanDerWaalsContact O-CB 3.25Å; F162-S166 WeakPolarHBondContact O-CB 3.5Å; F162-S166 PolarHBondContact O-N 3.06Å; G163-S166 WeakPolarHBondContact O-CB 3.11Å; G163-S166 PolarHBondContact O-N 3.47Å; G163-S166 PolarHBondContact O-OG 3.26Å; G164-S166 VanDerWaalsContact C-N 3.33Å; S166-G170 CarbonylContact O-C 3.52Å; S166-G170 VanDerWaalsContact O-C 3.31Å; S166-G170 VanDerWaalsContact O-CA 3.29Å; S166-G170 WeakPolarHBondContact O-CA 3.34Å; S166-G170 PolarHBondContact O-N 2.95Å; S166-G170 VanDerWaalsContact O-N 3.12Å; S166-R171 PolarHBondContact O-NH1 3.37Å; S166-N215 WeakPolarHBondContact CB-OD1 3.45Å
167D84.6Confident90.2Very high91 Ų9152.5 Ų52.549%0.48727%0.269SS..Hα-helixtrans-78.1-29.4177.1-69.5-33.5000112.1G164 L165 R171 W284G164-D167 PolarHBondContact O-N 2.96Å; L165-D167 PolarHBondContact O-N 2.84Å; D167-R171 IonicContact OD1-CZ 3.74Å; D167-R171 IonicContact OD1-NH1 2.66Å; D167-R171 PolarHBondContact OD1-NH1 3.12Å; D167-R171 IonicContact OD1-NH2 2.86Å; D167-R171 PolarHBondContact OD1-NH2 3.19Å; D167-W284 PolarHBondContact O-NE1 3.35Å
168R85.5Confident90.2Very high201 Ų20150 Ų5076%0.75825%0.254SS*.Hα-helixtrans-85.3-44.5177.8-65.9-174.1-179.5-163.80.5113.9L165L165-R168 PolarHBondContact O-N 3.35Å; L165-R168 VanDerWaalsContact O-N 3.16Å
169F88.3Confident90.4Very high130 Ų13050.1 Ų50.157%0.5725%0.254SS*.Hα-helixtrans-105.8-9.4-170.4-68-75.5000114.4L165 S173 V174 W284L165-F169 HydrophobicContact CB-CD2 4.37Å; L165-F169 HydrophobicContact CD2-CD2 3.7Å; L165-F169 HydrophobicContact CD2-CE2 3.54Å; L165-F169 PolarHBondContact O-N 2.98Å; F169-S173 WeakPolarHBondContact O-CB 3.23Å; F169-S173 PolarHBondContact O-OG 2.9Å; F169-V174 HydrophobicContact CB-CG2 4.36Å; F169-W284 VanDerWaalsContact C-CZ2 3.43Å
170G87.4Confident90.7Very high0 Ų051.5 Ų51.50%026%0.259CS..  trans100.4154.7-178.800000112.5S166 V174 E280 W284S166-G170 CarbonylContact O-C 3.52Å; S166-G170 VanDerWaalsContact O-C 3.31Å; S166-G170 VanDerWaalsContact O-CA 3.29Å; S166-G170 WeakPolarHBondContact O-CA 3.34Å; S166-G170 PolarHBondContact O-N 2.95Å; S166-G170 VanDerWaalsContact O-N 3.12Å; G170-V174 WeakPolarHBondContact O-CG2 3.47Å; G170-V174 PolarHBondContact O-N 3.17Å; G170-E280 WeakPolarHBondContact CA-OE2 3.36Å; G170-W284 VanDerWaalsContact CA-CE2 3.4Å
171R90.6Very high91Very high24 Ų2447.7 Ų47.79%0.09124%0.239CC..Hα-helixtrans-73.9-41.1-173.9-63.780.6165.7101.3-0.3110.2S166 D167 L175 L219 E222 E280 W284S166-R171 PolarHBondContact O-NH1 3.37Å; D167-R171 IonicContact OD1-CZ 3.74Å; D167-R171 IonicContact OD1-NH1 2.66Å; D167-R171 PolarHBondContact OD1-NH1 3.12Å; D167-R171 IonicContact OD1-NH2 2.86Å; D167-R171 PolarHBondContact OD1-NH2 3.19Å; R171-L175 WeakPolarHBondContact O-CB 3.42Å; R171-L175 PolarHBondContact O-N 3.34Å; R171-L219 HydrophobicContact CB-CD1 4.28Å; R171-E222 IonicContact CZ-OE1 3.77Å; R171-E222 IonicContact NE-OE1 3.29Å; R171-E222 PolarHBondContact NE-OE1 2.85Å; R171-E222 VanDerWaalsContact NE-OE1 3.09Å; R171-E222 IonicContact NE-OE2 3.57Å; R171-E222 PolarHBondContact NE-OE2 3.41Å; R171-E222 IonicContact NH2-OE1 3.39Å; R171-E222 PolarHBondContact NH2-OE1 3.11Å; R171-E280 PolarHBondContact N-OE1 3.32Å; R171-E280 PolarHBondContact N-OE2 2.91Å; R171-W284 VanDerWaalsContact CZ-CD1 3.43Å
172K93.1Very high91.1Very high42 Ų4244.9 Ų44.918%0.18322%0.222CC..Hα-helixtrans-64.4-47.3177.7177.1-169.3173.7175.60111.2V174 L175 I176 W276 Y278 E280K172-V174 PolarHBondContact O-N 2.83Å; K172-L175 WeakPolarHBondContact O-CB 3.34Å; K172-L175 PolarHBondContact O-N 3.45Å; K172-I176 HydrophobicContact CD-CD1 4.3Å; K172-I176 HydrophobicContact CG-CD1 3.72Å; K172-I176 HydrophobicContact CG-CG1 4.31Å; K172-I176 VanDerWaalsContact O-CG1 3.27Å; K172-I176 WeakPolarHBondContact O-CG1 3.3Å; K172-I176 PolarHBondContact O-N 2.93Å; K172-W276 WeakPolarHBondContact CE-O 3.32Å; K172-W276 PolarHBondContact NZ-O 3.12Å; K172-Y278 VanDerWaalsContact CD-O 3.29Å; K172-Y278 WeakPolarHBondContact CD-O 3.29Å; K172-Y278 WeakPolarHBondContact CE-O 3.42Å; K172-Y278 PolarHBondContact NZ-O 3.35Å; K172-E280 HydrophobicContact CB-CB 4.34Å; K172-E280 VanDerWaalsContact CB-OE2 3.22Å; K172-E280 WeakPolarHBondContact CB-OE2 3.01Å; K172-E280 PolarHBondContact N-OE1 3.02Å; K172-E280 PolarHBondContact N-OE2 3.46Å; K172-E280 VanDerWaalsContact N-OE2 3.11Å
173S92.8Very high91.4Very high61 Ų6144.5 Ų44.543%0.42722%0.22SC..Hα-helixtrans-58.8-48.5-177.7-57.10000112.1F169 L175 I176 W177F169-S173 WeakPolarHBondContact O-CB 3.23Å; F169-S173 PolarHBondContact O-OG 2.9Å; S173-L175 VanDerWaalsContact C-N 3.33Å; S173-L175 PolarHBondContact O-N 3.47Å; S173-I176 PolarHBondContact O-N 2.99Å; S173-W177 PolarHBondContact O-N 3.38Å; S173-W177 VanDerWaalsContact O-N 3.09Å
174V94.1Very high91.9Very high9 Ų946.5 Ų46.56%0.05523%0.228CC..Hα-helixtrans-67.2-36.4178.8178.90000111.4F162 L165 F169 G170 K172 W177 S178 N215F162-V174 HydrophobicContact CB-CG1 3.85Å; F162-V174 HydrophobicContact CD1-CG1 3.64Å; F162-V174 HydrophobicContact CG-CG1 4.01Å; L165-V174 HydrophobicContact CB-CG2 4.03Å; F169-V174 HydrophobicContact CB-CG2 4.36Å; G170-V174 WeakPolarHBondContact O-CG2 3.47Å; G170-V174 PolarHBondContact O-N 3.17Å; K172-V174 PolarHBondContact O-N 2.83Å; V174-W177 PolarHBondContact O-N 2.97Å; V174-S178 WeakPolarHBondContact O-CB 3.43Å; V174-S178 PolarHBondContact O-N 3.27Å; V174-S178 PolarHBondContact O-OG 2.93Å; V174-N215 VanDerWaalsContact CG1-ND2 3.34Å; V174-N215 WeakPolarHBondContact CG1-ND2 3.23Å
175L93.6Very high92.5Very high0 Ų046.1 Ų46.10%022%0.217CC..Hα-helixtrans-62.1-47.4175.1-177.562.8000112.1R171 K172 S173 W177 S178 Y179 I212 N215 L219 Y278R171-L175 WeakPolarHBondContact O-CB 3.42Å; R171-L175 PolarHBondContact O-N 3.34Å; K172-L175 WeakPolarHBondContact O-CB 3.34Å; K172-L175 PolarHBondContact O-N 3.45Å; S173-L175 VanDerWaalsContact C-N 3.33Å; S173-L175 PolarHBondContact O-N 3.47Å; L175-W177 VanDerWaalsContact C-N 3.35Å; L175-W177 PolarHBondContact O-N 3.35Å; L175-S178 PolarHBondContact O-N 2.99Å; L175-Y179 HydrophobicContact CD1-CD2 4.23Å; L175-Y179 HydrophobicContact CD1-CE2 3.58Å; L175-Y179 HydrophobicContact CD2-CE2 4.01Å; L175-Y179 HydrophobicContact CG-CD2 3.99Å; L175-Y179 HydrophobicContact CG-CE2 3.46Å; L175-Y179 VanDerWaalsContact CG-CE2 3.46Å; L175-Y179 WeakPolarHBondContact O-CD2 3.43Å; L175-Y179 PolarHBondContact O-N 3.42Å; L175-I212 HydrophobicContact CD1-CB 4.39Å; L175-I212 HydrophobicContact CD1-CG2 4.32Å; L175-N215 HydrophobicContact CB-CB 3.91Å; L175-N215 HydrophobicContact CD1-CB 4.24Å; L175-L219 HydrophobicContact CD2-CD2 4.18Å; L175-Y278 HydrophobicContact CD2-CD2 4.21Å; L175-Y278 HydrophobicContact CD2-CE2 3.99Å
176I95Very high92.6Very high22 Ų2243.4 Ų43.411%0.11320%0.202CC..Hα-helixtrans-58.2-48176.5-66.8165.3000110.4K172 S173 S178 Y179 L180 F272 S275K172-I176 HydrophobicContact CD-CD1 4.3Å; K172-I176 HydrophobicContact CG-CD1 3.72Å; K172-I176 HydrophobicContact CG-CG1 4.31Å; K172-I176 VanDerWaalsContact O-CG1 3.27Å; K172-I176 WeakPolarHBondContact O-CG1 3.3Å; K172-I176 PolarHBondContact O-N 2.93Å; S173-I176 PolarHBondContact O-N 2.99Å; I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 PolarHBondContact O-N 3.04Å; I176-Y179 WeakPolarHBondContact O-CB 3.44Å; I176-Y179 PolarHBondContact O-N 3.04Å; I176-L180 PolarHBondContact O-N 3.5Å; I176-L180 VanDerWaalsContact O-N 3.13Å; I176-F272 HydrophobicContact CG2-CD2 3.75Å; I176-F272 HydrophobicContact CG2-CE2 3.53Å; I176-S275 WeakPolarHBondContact CG1-OG 3.42Å
177W95.4Very high92.9Very high150 Ų15044 Ų4457%0.56821%0.207SC*.Hα-helixtrans-60.8-42.8178179.8-100.9000112S173 V174 L175 Y179 L180 Q181S173-W177 PolarHBondContact O-N 3.38Å; S173-W177 VanDerWaalsContact O-N 3.09Å; V174-W177 PolarHBondContact O-N 2.97Å; L175-W177 VanDerWaalsContact C-N 3.35Å; L175-W177 PolarHBondContact O-N 3.35Å; W177-Y179 VanDerWaalsContact C-N 3.32Å; W177-Y179 PolarHBondContact O-N 2.82Å; W177-L180 HydrophobicContact CE3-CD2 4.42Å; W177-L180 HydrophobicContact CZ3-CD2 4.25Å; W177-L180 PolarHBondContact O-N 3.08Å; W177-Q181 WeakPolarHBondContact O-CB 3.18Å; W177-Q181 PolarHBondContact O-N 3.09Å
178S95.5Very high93.4Very high0 Ų041.5 Ų41.50%020%0.196CC..Hα-helixtrans-65.4-35.4179.4-55.60000112V174 L175 I176 L182V174-S178 WeakPolarHBondContact O-CB 3.43Å; V174-S178 PolarHBondContact O-N 3.27Å; V174-S178 PolarHBondContact O-OG 2.93Å; L175-S178 PolarHBondContact O-N 2.99Å; I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 PolarHBondContact O-N 3.04Å; S178-L182 WeakPolarHBondContact O-CB 3.17Å; S178-L182 PolarHBondContact O-N 3.28Å
179Y95.4Very high93.8Very high1 Ų131.9 Ų31.90%0.00416%0.16CC..Hα-helixtrans-59.2-52.3170.6-77.4-59.6000111.2P27 L175 I176 W177 Q181 L182 A183 I212 Q268 F271 Y278P27-Y179 HydrophobicContact CB-CE1 3.77Å; P27-Y179 WeakPolarHBondContact CB-OH 3.5Å; P27-Y179 HydrophobicContact CG-CE1 4.04Å; P27-Y179 WeakPolarHBondContact CG-OH 3.42Å; L175-Y179 HydrophobicContact CD1-CD2 4.23Å; L175-Y179 HydrophobicContact CD1-CE2 3.58Å; L175-Y179 HydrophobicContact CD2-CE2 4.01Å; L175-Y179 HydrophobicContact CG-CD2 3.99Å; L175-Y179 HydrophobicContact CG-CE2 3.46Å; L175-Y179 VanDerWaalsContact CG-CE2 3.46Å; L175-Y179 WeakPolarHBondContact O-CD2 3.43Å; L175-Y179 PolarHBondContact O-N 3.42Å; I176-Y179 WeakPolarHBondContact O-CB 3.44Å; I176-Y179 PolarHBondContact O-N 3.04Å; W177-Y179 VanDerWaalsContact C-N 3.32Å; W177-Y179 PolarHBondContact O-N 2.82Å; Y179-Q181 PolarHBondContact O-N 3.25Å; Y179-L182 PolarHBondContact O-N 2.94Å; Y179-A183 WeakPolarHBondContact O-CB 3.27Å; Y179-A183 PolarHBondContact O-N 2.92Å; Y179-I212 HydrophobicContact CD1-CD1 4.47Å; Y179-I212 HydrophobicContact CD1-CG1 4.25Å; Y179-I212 HydrophobicContact CE1-CG1 4.14Å; Y179-I212 HydrophobicContact CE1-CG2 3.88Å; Y179-Q268 VanDerWaalsContact CD1-CD 3.42Å; Y179-Q268 HydrophobicContact CD1-CG 4.09Å; Y179-Q268 WeakPolarHBondContact O-CG 3.23Å; Y179-F271 HydrophobicContact CD1-CB 3.64Å; Y179-F271 HydrophobicContact CE1-CB 3.75Å; Y179-F271 HydrophobicContact CE1-CD2 4.29Å; Y179-F271 HydrophobicContact CE1-CG 4.46Å; Y179-F271 HydrophobicContact CG-CB 4.27Å; Y179-Y278 HydrophobicContact CE2-CE2 4.44Å
180L95.9Very high94Very high47 Ų4725.9 Ų25.925%0.24613%0.134CC..Hα-helixtrans-60.8-46.3179.8-176.962.4000111.9I176 W177 L182 A183 V184 F272I176-L180 PolarHBondContact O-N 3.5Å; I176-L180 VanDerWaalsContact O-N 3.13Å; W177-L180 HydrophobicContact CE3-CD2 4.42Å; W177-L180 HydrophobicContact CZ3-CD2 4.25Å; W177-L180 PolarHBondContact O-N 3.08Å; L180-L182 PolarHBondContact O-N 3.36Å; L180-A183 PolarHBondContact O-N 3.18Å; L180-V184 HydrophobicContact CD1-CG2 4Å; L180-V184 HydrophobicContact CG-CG2 4.4Å; L180-V184 WeakPolarHBondContact O-CG2 3.38Å; L180-V184 PolarHBondContact O-N 3.34Å; L180-F272 HydrophobicContact CB-CD2 3.74Å; L180-F272 HydrophobicContact CB-CE2 3.83Å; L180-F272 HydrophobicContact CB-CG 4.36Å; L180-F272 HydrophobicContact CD1-CD1 4.38Å; L180-F272 HydrophobicContact CD1-CD2 4.46Å; L180-F272 HydrophobicContact CD1-CE1 4.25Å; L180-F272 HydrophobicContact CD1-CE2 4.33Å; L180-F272 HydrophobicContact CD1-CG 4.47Å; L180-F272 HydrophobicContact CD1-CZ 4.22Å; L180-F272 HydrophobicContact CD2-CE2 4.13Å; L180-F272 HydrophobicContact CD2-CZ 4.24Å; L180-F272 HydrophobicContact CG-CE2 4.32Å
181Q96.1Very high94.2Very high27 Ų2732.1 Ų32.113%0.12617%0.167CC..Hα-helixtrans-60.2-45.9180-176.6178.8-2100111.5F162 W177 Y179 A183 L185 L204 A208F162-Q181 VanDerWaalsContact CZ-OE1 3.3Å; W177-Q181 WeakPolarHBondContact O-CB 3.18Å; W177-Q181 PolarHBondContact O-N 3.09Å; Y179-Q181 PolarHBondContact O-N 3.25Å; Q181-A183 VanDerWaalsContact C-N 3.35Å; Q181-L185 HydrophobicContact CG-CD1 3.52Å; Q181-L185 HydrophobicContact CG-CG 4.24Å; Q181-L185 VanDerWaalsContact O-CB 3.27Å; Q181-L185 WeakPolarHBondContact O-CB 3.49Å; Q181-L185 VanDerWaalsContact O-CG 3.26Å; Q181-L185 WeakPolarHBondContact O-CG 3.33Å; Q181-L185 PolarHBondContact O-N 3.2Å; Q181-L204 PolarHBondContact NE2-O 3.28Å; Q181-A208 HydrophobicContact CB-CB 3.93Å; Q181-A208 HydrophobicContact CG-CB 3.81Å
182L95.2Very high94.3Very high2 Ų231 Ų311%0.0116%0.163CC..Hα-helixtrans-67-37178.1-176.258.6000111.9Q34 S178 Y179 L180 G186 A208 L209 I212 Q268Q34-L182 HydrophobicContact CG-CD2 4.38Å; S178-L182 WeakPolarHBondContact O-CB 3.17Å; S178-L182 PolarHBondContact O-N 3.28Å; Y179-L182 PolarHBondContact O-N 2.94Å; L180-L182 PolarHBondContact O-N 3.36Å; L182-G186 VanDerWaalsContact O-CA 3.28Å; L182-G186 WeakPolarHBondContact O-CA 3.49Å; L182-G186 PolarHBondContact O-N 3.44Å; L182-A208 HydrophobicContact CB-CB 3.78Å; L182-L209 HydrophobicContact CD2-CD1 4.01Å; L182-I212 HydrophobicContact CB-CD1 4.01Å; L182-I212 HydrophobicContact CD2-CD1 3.54Å; L182-I212 HydrophobicContact CG-CD1 4.42Å; L182-Q268 HydrophobicContact CB-CG 4.13Å; L182-Q268 HydrophobicContact CD2-CG 4.48Å; L182-Q268 HydrophobicContact CG-CG 4.36Å
183A94.9Very high94.1Very high0 Ų034.2 Ų34.20%019%0.188CC..Hα-helixtrans-64.3-51.4178.700000111.4Y179 L180 Q181 C187 Q268 F269Y179-A183 WeakPolarHBondContact O-CB 3.27Å; Y179-A183 PolarHBondContact O-N 2.92Å; L180-A183 PolarHBondContact O-N 3.18Å; Q181-A183 VanDerWaalsContact C-N 3.35Å; A183-C187 WeakPolarHBondContact O-CB 3.18Å; A183-C187 PolarHBondContact O-N 2.86Å; A183-C187 VanDerWaalsContact O-N 3.14Å; A183-C187 PolarHBondContact O-SG 3.49Å; A183-Q268 HydrophobicContact CB-CB 3.76Å; A183-Q268 HydrophobicContact CB-CG 3.93Å; A183-F269 HydrophobicContact CB-CD1 3.88Å; A183-F269 HydrophobicContact CB-CD2 3.78Å; A183-F269 HydrophobicContact CB-CE1 3.8Å; A183-F269 HydrophobicContact CB-CE2 3.7Å; A183-F269 HydrophobicContact CB-CG 3.86Å; A183-F269 HydrophobicContact CB-CZ 3.71Å
184V96.1Very high94.2Very high63 Ų6333.8 Ų33.838%0.38219%0.185SC..Hα-helixtrans-66.6-56.5-178.7175.10000110.5L180 G186 C187 S188 F269L180-V184 HydrophobicContact CD1-CG2 4Å; L180-V184 HydrophobicContact CG-CG2 4.4Å; L180-V184 WeakPolarHBondContact O-CG2 3.38Å; L180-V184 PolarHBondContact O-N 3.34Å; V184-G186 VanDerWaalsContact C-N 3.33Å; V184-G186 PolarHBondContact O-N 2.91Å; V184-C187 PolarHBondContact O-N 3.2Å; V184-S188 WeakPolarHBondContact O-CB 3.27Å; V184-S188 PolarHBondContact O-N 3.13Å; V184-S188 PolarHBondContact O-OG 2.53Å; V184-F269 HydrophobicContact CG2-CE1 4.2Å; V184-F269 HydrophobicContact CG2-CZ 4.19Å
185L96Very high94.1Very high31 Ų3135.1 Ų35.116%0.16219%0.189CC..Hα-helixtrans-70.9-31.8-173.7-58.1-178.8000112.4Q181 S188 S189 F201 L204Q181-L185 HydrophobicContact CG-CD1 3.52Å; Q181-L185 HydrophobicContact CG-CG 4.24Å; Q181-L185 VanDerWaalsContact O-CB 3.27Å; Q181-L185 WeakPolarHBondContact O-CB 3.49Å; Q181-L185 VanDerWaalsContact O-CG 3.26Å; Q181-L185 WeakPolarHBondContact O-CG 3.33Å; Q181-L185 PolarHBondContact O-N 3.2Å; L185-S188 PolarHBondContact O-N 3.38Å; L185-S189 PolarHBondContact O-N 3.35Å; L185-F201 HydrophobicContact CD2-CD1 4.3Å; L185-L204 HydrophobicContact CD1-CB 3.34Å; L185-L204 HydrophobicContact CD1-CD1 4Å; L185-L204 HydrophobicContact CD1-CG 4.29Å
186G92.4Very high94.1Very high0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-64-45.5173.100000112.3L182 V184 S189 A190 C265L182-G186 VanDerWaalsContact O-CA 3.28Å; L182-G186 WeakPolarHBondContact O-CA 3.49Å; L182-G186 PolarHBondContact O-N 3.44Å; V184-G186 VanDerWaalsContact C-N 3.33Å; V184-G186 PolarHBondContact O-N 2.91Å; G186-S189 PolarHBondContact O-N 3.41Å; G186-S189 PolarHBondContact O-OG 3.22Å; G186-A190 PolarHBondContact O-N 3.26Å; G186-C265 VanDerWaalsContact C-SG 3.56Å; G186-C265 WeakPolarHBondContact CA-SG 3.39Å
187C94.1Very high94.1Very high23 Ų2339.6 Ų39.616%0.15522%0.22CC..Hα-helixtrans-68.1-38.4173.6-70.80000112.2A183 V184 S189 A190 L191A183-C187 WeakPolarHBondContact O-CB 3.18Å; A183-C187 PolarHBondContact O-N 2.86Å; A183-C187 VanDerWaalsContact O-N 3.14Å; A183-C187 PolarHBondContact O-SG 3.49Å; V184-C187 PolarHBondContact O-N 3.2Å; C187-S189 VanDerWaalsContact C-N 3.25Å; C187-S189 PolarHBondContact O-N 3.08Å; C187-A190 WeakPolarHBondContact O-CB 3.48Å; C187-A190 PolarHBondContact O-N 2.99Å; C187-A190 VanDerWaalsContact O-N 3.07Å; C187-L191 PolarHBondContact O-N 3.43Å
188S94.6Very high94.1Very high38 Ų3832.5 Ų32.527%0.26619%0.193SC..Hα-helixtrans-61.2-34.1173.8-60.50000112.5V184 L185 A190 L191 S192V184-S188 WeakPolarHBondContact O-CB 3.27Å; V184-S188 PolarHBondContact O-N 3.13Å; V184-S188 PolarHBondContact O-OG 2.53Å; L185-S188 PolarHBondContact O-N 3.38Å; S188-A190 VanDerWaalsContact C-N 3.26Å; S188-A190 PolarHBondContact O-N 3.2Å; S188-L191 CarbonylContact O-C 3.35Å; S188-L191 PolarHBondContact O-N 2.96Å; S188-S192 PolarHBondContact O-N 3.46Å; S188-S192 VanDerWaalsContact O-N 3.15Å
189S92.9Very high94.1Very high0 Ų033 Ų330%020%0.196CC..Hα-helixtrans-64.4-29.8174.678.60000112.9L185 G186 C187 L191 S192 Y198 Q261L185-S189 PolarHBondContact O-N 3.35Å; G186-S189 PolarHBondContact O-N 3.41Å; G186-S189 PolarHBondContact O-OG 3.22Å; C187-S189 VanDerWaalsContact C-N 3.25Å; C187-S189 PolarHBondContact O-N 3.08Å; S189-L191 PolarHBondContact O-N 2.97Å; S189-S192 PolarHBondContact O-N 3.28Å; S189-S192 PolarHBondContact O-OG 3.08Å; S189-Y198 WeakPolarHBondContact O-CD2 3.14Å; S189-Q261 VanDerWaalsContact OG-CD 3.28Å; S189-Q261 VanDerWaalsContact OG-CG 3.28Å; S189-Q261 WeakPolarHBondContact OG-CG 3.27Å; S189-Q261 PolarHBondContact OG-NE2 3.48Å
190A92.6Very high94.2Very high3 Ų337.4 Ų37.43%0.02522%0.219CC..Hα-helixtrans-71.8-18173.400000113G186 C187 S188 R258 Q261 L262G186-A190 PolarHBondContact O-N 3.26Å; C187-A190 WeakPolarHBondContact O-CB 3.48Å; C187-A190 PolarHBondContact O-N 2.99Å; C187-A190 VanDerWaalsContact O-N 3.07Å; S188-A190 VanDerWaalsContact C-N 3.26Å; S188-A190 PolarHBondContact O-N 3.2Å; A190-R258 WeakPolarHBondContact CB-O 3.34Å; A190-R258 WeakPolarHBondContact O-CG 3.49Å; A190-R258 PolarHBondContact O-NH1 3.21Å; A190-Q261 HydrophobicContact CB-CB 3.95Å; A190-Q261 HydrophobicContact CB-CG 3.89Å; A190-L262 HydrophobicContact CB-CB 4.31Å
191L91.5Very high94.2Very high131 Ų13137.7 Ų37.769%0.68622%0.219SC*.THydrogen-bonded Turntrans-104.92.5-179.6-61.2176.3000112.6C187 S188 S189C187-L191 PolarHBondContact O-N 3.43Å; S188-L191 CarbonylContact O-C 3.35Å; S188-L191 PolarHBondContact O-N 2.96Å; S189-L191 PolarHBondContact O-N 2.97Å
192S93.1Very high94.1Very high1 Ų136.4 Ų36.41%0.00721%0.213CC..  trans-63.3130.5-175.659.30000111.2S188 S189 Y198 R258S188-S192 PolarHBondContact O-N 3.46Å; S188-S192 VanDerWaalsContact O-N 3.15Å; S189-S192 PolarHBondContact O-N 3.28Å; S189-S192 PolarHBondContact O-OG 3.08Å; S192-Y198 WeakPolarHBondContact OG-CB 3.22Å; S192-Y198 WeakPolarHBondContact OG-CD2 3.25Å; S192-R258 PolarHBondContact O-NH1 3.01Å; S192-R258 PolarHBondContact O-NH2 3.43Å
193P89.8Confident94.2Very high109 Ų10939.5 Ų39.571%0.70823%0.226SC*.SBendtrans-84.3-20.8177.632-34.5000112.9W134W134-P193 PolarHBondContact NE1-O 2.98Å
194S94.1Very high94.2Very high52 Ų5242 Ų4236%0.36424%0.239SC..SBendtrans-132153.1-175.168.80000112.9T196 A197 Y198S194-T196 VanDerWaalsContact C-N 3.3Å; S194-T196 PolarHBondContact O-N 3.47Å; S194-A197 PolarHBondContact O-N 3.42Å; S194-A197 WeakPolarHBondContact OG-CB 3.47Å; S194-A197 PolarHBondContact OG-N 3.45Å; S194-Y198 PolarHBondContact O-N 2.95Å
195Y92Very high94.2Very high38 Ų3839 Ų3915%0.14922%0.221CC..Hα-helixtrans-54.2-43.7176.1176.3-94.3000112.7W134 L136 L143 M146 I147 Y198 C199W134-Y195 AromaticContact CE3-CD2 3.85Å; W134-Y195 HydrophobicContact CE3-CD2 3.85Å; W134-Y195 HydrophobicContact CE3-CG 4.47Å; W134-Y195 HydrophobicContact CZ3-CD2 4.22Å; L136-Y195 HydrophobicContact CD1-CD2 3.79Å; L136-Y195 HydrophobicContact CD1-CE2 3.77Å; L136-Y195 HydrophobicContact CD2-CD2 4.21Å; L136-Y195 HydrophobicContact CD2-CE2 4.4Å; L143-Y195 HydrophobicContact CB-CE2 4.09Å; L143-Y195 PolarHBondContact O-OH 2.66Å; M146-Y195 HydrophobicContact CE-CE1 3.89Å; M146-Y195 WeakPolarHBondContact CE-OH 3.48Å; I147-Y195 HydrophobicContact CD1-CD2 4.32Å; I147-Y195 HydrophobicContact CD1-CE2 3.64Å; I147-Y195 HydrophobicContact CG1-CE2 3.66Å; Y195-Y198 WeakPolarHBondContact O-CB 3.33Å; Y195-Y198 PolarHBondContact O-N 3.24Å; Y195-C199 WeakPolarHBondContact CE1-SG 3.27Å; Y195-C199 VanDerWaalsContact CZ-SG 3.51Å; Y195-C199 PolarHBondContact O-N 3.48Å; Y195-C199 PolarHBondContact O-SG 3.44Å
196T94.4Very high94.1Very high93 Ų9337.6 Ų37.657%0.57121%0.213SC*.Hα-helixtrans-66-44.7-179.3-50.80000111.7S194 Y198 C199 I200S194-T196 VanDerWaalsContact C-N 3.3Å; S194-T196 PolarHBondContact O-N 3.47Å; T196-Y198 VanDerWaalsContact C-N 3.29Å; T196-Y198 PolarHBondContact O-N 3.16Å; T196-C199 PolarHBondContact O-N 2.93Å; T196-I200 HydrophobicContact CG2-CD1 4.27Å; T196-I200 WeakPolarHBondContact O-CG1 3.39Å; T196-I200 PolarHBondContact O-N 3.36Å
197A95.2Very high94.3Very high23 Ų2338.8 Ų38.819%0.1922%0.219CC..Hα-helixtrans-61.4-41.7176.100000110.9S194 C199 I200 F201S194-A197 PolarHBondContact O-N 3.42Å; S194-A197 WeakPolarHBondContact OG-CB 3.47Å; S194-A197 PolarHBondContact OG-N 3.45Å; A197-C199 PolarHBondContact O-N 2.94Å; A197-I200 PolarHBondContact O-N 3.44Å; A197-F201 HydrophobicContact CB-CE2 4.27Å; A197-F201 WeakPolarHBondContact O-CD2 3.39Å; A197-F201 WeakPolarHBondContact O-CG 3.29Å; A197-F201 PolarHBondContact O-N 3.27Å
198Y94.9Very high94.3Very high0 Ų037.7 Ų37.70%021%0.212CC..Hα-helixtrans-59-46.2174.5-175.4-108.3000112.4V41 T130 W134 I147 S189 S192 S194 Y195 T196 I200 F201 R202 W257V41-Y198 VanDerWaalsContact CG1-OH 3.32Å; V41-Y198 WeakPolarHBondContact CG1-OH 3.18Å; T130-Y198 HydrophobicContact CG2-CE1 4.01Å; T130-Y198 HydrophobicContact CG2-CE2 4.46Å; W134-Y198 VanDerWaalsContact CH2-CB 3.42Å; W134-Y198 HydrophobicContact CH2-CD1 4.01Å; W134-Y198 HydrophobicContact CH2-CD2 4.13Å; W134-Y198 AromaticContact CH2-CG 3.59Å; W134-Y198 HydrophobicContact CH2-CG 3.59Å; W134-Y198 AromaticContact CZ3-CD1 3.86Å; W134-Y198 HydrophobicContact CZ3-CD1 3.86Å; W134-Y198 AromaticContact CZ3-CG 3.95Å; W134-Y198 HydrophobicContact CZ3-CG 3.95Å; I147-Y198 HydrophobicContact CD1-CD1 4.19Å; I147-Y198 HydrophobicContact CD1-CE1 4.03Å; I147-Y198 HydrophobicContact CG1-CD1 4.42Å; I147-Y198 HydrophobicContact CG1-CE1 4.39Å; I147-Y198 HydrophobicContact CG2-CD1 4.37Å; I147-Y198 HydrophobicContact CG2-CE1 3.71Å; S189-Y198 WeakPolarHBondContact O-CD2 3.14Å; S192-Y198 WeakPolarHBondContact OG-CB 3.22Å; S192-Y198 WeakPolarHBondContact OG-CD2 3.25Å; S194-Y198 PolarHBondContact O-N 2.95Å; Y195-Y198 WeakPolarHBondContact O-CB 3.33Å; Y195-Y198 PolarHBondContact O-N 3.24Å; T196-Y198 VanDerWaalsContact C-N 3.29Å; T196-Y198 PolarHBondContact O-N 3.16Å; Y198-I200 PolarHBondContact O-N 3.14Å; Y198-F201 PolarHBondContact O-N 3.32Å; Y198-R202 HydrophobicContact CD1-CG 4.04Å; Y198-R202 HydrophobicContact CD2-CG 4.35Å; Y198-R202 HydrophobicContact CE1-CG 3.65Å; Y198-R202 HydrophobicContact CE2-CG 3.98Å; Y198-R202 HydrophobicContact CG-CG 4.36Å; Y198-R202 WeakPolarHBondContact O-CB 3.31Å; Y198-R202 VanDerWaalsContact O-CG 3.26Å; Y198-R202 WeakPolarHBondContact O-CG 3.46Å; Y198-R202 PolarHBondContact O-N 2.86Å; Y198-R202 WeakPolarHBondContact OH-CD 3.46Å; Y198-W257 HydrophobicContact CD2-CH2 4.29Å; Y198-W257 HydrophobicContact CD2-CZ3 4.14Å; Y198-W257 HydrophobicContact CE2-CE3 4.49Å; Y198-W257 HydrophobicContact CE2-CH2 4.29Å; Y198-W257 AromaticContact CE2-CZ3 3.7Å; Y198-W257 HydrophobicContact CE2-CZ3 3.7Å
199C95.3Very high94.3Very high11 Ų1135.9 Ų35.97%0.07420%0.199CC..Hα-helixtrans-60.9-42.4177.6-70.70000112.6I150 Y195 T196 A197 R202 F203I150-C199 HydrophobicContact CD1-CB 4.01Å; Y195-C199 WeakPolarHBondContact CE1-SG 3.27Å; Y195-C199 VanDerWaalsContact CZ-SG 3.51Å; Y195-C199 PolarHBondContact O-N 3.48Å; Y195-C199 PolarHBondContact O-SG 3.44Å; T196-C199 PolarHBondContact O-N 2.93Å; A197-C199 PolarHBondContact O-N 2.94Å; C199-R202 PolarHBondContact O-N 3.3Å; C199-F203 WeakPolarHBondContact O-CB 3.19Å; C199-F203 PolarHBondContact O-N 3.04Å
200I96.6Very high94.2Very high94 Ų9435.9 Ų35.948%0.48220%0.199SC..Hα-helixtrans-62.3-48176.4-66166.1000110.3T196 A197 Y198 R202 F203 L204T196-I200 HydrophobicContact CG2-CD1 4.27Å; T196-I200 WeakPolarHBondContact O-CG1 3.39Å; T196-I200 PolarHBondContact O-N 3.36Å; A197-I200 PolarHBondContact O-N 3.44Å; Y198-I200 PolarHBondContact O-N 3.14Å; I200-R202 VanDerWaalsContact C-N 3.33Å; I200-R202 PolarHBondContact O-N 3.45Å; I200-F203 PolarHBondContact O-N 3.47Å; I200-L204 HydrophobicContact CG2-CD1 4.02Å; I200-L204 WeakPolarHBondContact O-CG 3.29Å; I200-L204 PolarHBondContact O-N 3.19Å
201F95.9Very high94.1Very high53 Ų5335.7 Ų35.723%0.23220%0.198CC..Hα-helixtrans-63.7-38.1177.9-63.6-41.5000112.4L185 A197 Y198 S205L185-F201 HydrophobicContact CD2-CD1 4.3Å; A197-F201 HydrophobicContact CB-CE2 4.27Å; A197-F201 WeakPolarHBondContact O-CD2 3.39Å; A197-F201 WeakPolarHBondContact O-CG 3.29Å; A197-F201 PolarHBondContact O-N 3.27Å; Y198-F201 PolarHBondContact O-N 3.32Å; F201-S205 WeakPolarHBondContact O-CB 3.47Å; F201-S205 PolarHBondContact O-N 3.04Å; F201-S205 PolarHBondContact O-OG 3Å
202R94.4Very high94.2Very high0 Ų029.8 Ų29.80%017%0.167CC..Hα-helixtrans-65.6-42.3175-72.4-70.7-70.5162.21.9111.8I147 Y151 Y198 C199 I200 S205 G206I147-R202 HydrophobicContact CG2-CG 4.43Å; Y151-R202 WeakPolarHBondContact CD2-O 3.38Å; Y198-R202 HydrophobicContact CD1-CG 4.04Å; Y198-R202 HydrophobicContact CD2-CG 4.35Å; Y198-R202 HydrophobicContact CE1-CG 3.65Å; Y198-R202 HydrophobicContact CE2-CG 3.98Å; Y198-R202 HydrophobicContact CG-CG 4.36Å; Y198-R202 WeakPolarHBondContact O-CB 3.31Å; Y198-R202 VanDerWaalsContact O-CG 3.26Å; Y198-R202 WeakPolarHBondContact O-CG 3.46Å; Y198-R202 PolarHBondContact O-N 2.86Å; Y198-R202 WeakPolarHBondContact OH-CD 3.46Å; C199-R202 PolarHBondContact O-N 3.3Å; I200-R202 VanDerWaalsContact C-N 3.33Å; I200-R202 PolarHBondContact O-N 3.45Å; R202-S205 PolarHBondContact O-N 3.31Å; R202-G206 PolarHBondContact O-N 3.44Å
203F96.6Very high94Very high66 Ų6631.9 Ų31.929%0.28918%0.177SC..Hα-helixtrans-57.8-52.2174.6-179.5-95.8000111.3I150 G154 T157 C199 I200 S205 G206 M207I150-F203 HydrophobicContact CG2-CB 3.69Å; I150-F203 HydrophobicContact CG2-CD2 4.1Å; I150-F203 HydrophobicContact CG2-CG 4.38Å; I150-F203 WeakPolarHBondContact O-CD2 3.43Å; G154-F203 WeakPolarHBondContact CA-O 3.45Å; T157-F203 HydrophobicContact CG2-CZ 4.25Å; C199-F203 WeakPolarHBondContact O-CB 3.19Å; C199-F203 PolarHBondContact O-N 3.04Å; I200-F203 PolarHBondContact O-N 3.47Å; F203-S205 VanDerWaalsContact C-N 3.32Å; F203-S205 PolarHBondContact O-N 3.12Å; F203-G206 PolarHBondContact O-N 3.25Å; F203-G206 VanDerWaalsContact O-N 3.15Å; F203-M207 HydrophobicContact CD1-CG 4.47Å; F203-M207 HydrophobicContact CD1-SD 4.06Å; F203-M207 HydrophobicContact CE1-CG 4.13Å; F203-M207 HydrophobicContact CE1-SD 3.52Å; F203-M207 VanDerWaalsContact CE1-SD 3.52Å; F203-M207 HydrophobicContact CZ-SD 4.28Å; F203-M207 PolarHBondContact O-N 3.27Å
204L96.7Very high93.9Very high54 Ų5429.2 Ų29.228%0.28316%0.157SC..Hα-helixtrans-68.5-31.2-178.5-63172.8000112.6Q181 L185 I200 M207 A208Q181-L204 PolarHBondContact NE2-O 3.28Å; L185-L204 HydrophobicContact CD1-CB 3.34Å; L185-L204 HydrophobicContact CD1-CD1 4Å; L185-L204 HydrophobicContact CD1-CG 4.29Å; I200-L204 HydrophobicContact CG2-CD1 4.02Å; I200-L204 WeakPolarHBondContact O-CG 3.29Å; I200-L204 PolarHBondContact O-N 3.19Å; L204-M207 HydrophobicContact CD2-SD 4Å; L204-M207 WeakPolarHBondContact O-CB 3.48Å; L204-M207 PolarHBondContact O-N 2.98Å; L204-A208 PolarHBondContact O-N 3.49Å; L204-A208 VanDerWaalsContact O-N 3.16Å
205S95.4Very high93.7Very high0 Ų026.8 Ų26.80%014%0.14CC..Hα-helixtrans-66.8-40.6171.1-630000111.3F201 R202 F203 M207 A208 L209F201-S205 WeakPolarHBondContact O-CB 3.47Å; F201-S205 PolarHBondContact O-N 3.04Å; F201-S205 PolarHBondContact O-OG 3Å; R202-S205 PolarHBondContact O-N 3.31Å; F203-S205 VanDerWaalsContact C-N 3.32Å; F203-S205 PolarHBondContact O-N 3.12Å; S205-M207 VanDerWaalsContact C-N 3.32Å; S205-M207 PolarHBondContact O-N 3.17Å; S205-A208 WeakPolarHBondContact O-CB 3.35Å; S205-A208 PolarHBondContact O-N 3.03Å; S205-L209 PolarHBondContact O-N 3.42Å
206G94.8Very high93.6Very high0 Ų025.2 Ų25.20%014%0.136CC..Hα-helixtrans-59.1-42.6172.600000112V155 R202 F203 A208 L209 S210V155-G206 VanDerWaalsContact CA-O 3.31Å; V155-G206 WeakPolarHBondContact CA-O 3.39Å; V155-G206 WeakPolarHBondContact CG2-O 3.48Å; R202-G206 PolarHBondContact O-N 3.44Å; F203-G206 PolarHBondContact O-N 3.25Å; F203-G206 VanDerWaalsContact O-N 3.15Å; G206-A208 PolarHBondContact O-N 3.32Å; G206-L209 WeakPolarHBondContact O-CB 3.19Å; G206-L209 PolarHBondContact O-N 3.17Å; G206-S210 PolarHBondContact O-N 3.04Å
207M95.1Very high93.2Very high25 Ų2524.1 Ų24.112%0.12313%0.128CC..Hα-helixtrans-56.9-49.8173.7-68.9179.666.200111.4G154 T157 F162 F203 L204 S205 L209 S210 G211G154-M207 WeakPolarHBondContact O-CA 3.22Å; G154-M207 WeakPolarHBondContact O-CG 3.22Å; G154-M207 PolarHBondContact O-N 3.19Å; T157-M207 HydrophobicContact CG2-CE 4.17Å; T157-M207 HydrophobicContact CG2-SD 4.37Å; F162-M207 VanDerWaalsContact CD2-O 3.27Å; F162-M207 WeakPolarHBondContact CD2-O 3.47Å; F162-M207 HydrophobicContact CE2-CB 4.13Å; F162-M207 VanDerWaalsContact CE2-O 3.27Å; F162-M207 WeakPolarHBondContact CE2-O 3.26Å; F203-M207 HydrophobicContact CD1-CG 4.47Å; F203-M207 HydrophobicContact CD1-SD 4.06Å; F203-M207 HydrophobicContact CE1-CG 4.13Å; F203-M207 HydrophobicContact CE1-SD 3.52Å; F203-M207 VanDerWaalsContact CE1-SD 3.52Å; F203-M207 HydrophobicContact CZ-SD 4.28Å; F203-M207 PolarHBondContact O-N 3.27Å; L204-M207 HydrophobicContact CD2-SD 4Å; L204-M207 WeakPolarHBondContact O-CB 3.48Å; L204-M207 PolarHBondContact O-N 2.98Å; S205-M207 VanDerWaalsContact C-N 3.32Å; S205-M207 PolarHBondContact O-N 3.17Å; M207-L209 VanDerWaalsContact C-N 3.32Å; M207-L209 PolarHBondContact O-N 3.16Å; M207-S210 WeakPolarHBondContact O-CB 3.34Å; M207-S210 PolarHBondContact O-N 2.82Å; M207-G211 PolarHBondContact O-N 3.45Å
208A95.3Very high92.8Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-60.4-40.4179.700000112.3Q181 L182 L204 S205 G206 S210 G211 I212Q181-A208 HydrophobicContact CB-CB 3.93Å; Q181-A208 HydrophobicContact CG-CB 3.81Å; L182-A208 HydrophobicContact CB-CB 3.78Å; L204-A208 PolarHBondContact O-N 3.49Å; L204-A208 VanDerWaalsContact O-N 3.16Å; S205-A208 WeakPolarHBondContact O-CB 3.35Å; S205-A208 PolarHBondContact O-N 3.03Å; G206-A208 PolarHBondContact O-N 3.32Å; A208-S210 VanDerWaalsContact C-N 3.3Å; A208-S210 PolarHBondContact O-N 3.48Å; A208-G211 PolarHBondContact O-N 3.36Å; A208-G211 VanDerWaalsContact O-N 3.13Å; A208-I212 WeakPolarHBondContact O-CD1 3.17Å; A208-I212 WeakPolarHBondContact O-CG1 3.42Å; A208-I212 PolarHBondContact O-N 2.9Å
209L93.3Very high92.5Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-56.1-45.2176.4-166.485.1000112.1T31 Q34 N35 Y151 V155 L182 S205 G206 M207 G211 I212 I213T31-L209 HydrophobicContact CG2-CD1 3.42Å; T31-L209 VanDerWaalsContact CG2-CD1 3.42Å; T31-L209 HydrophobicContact CG2-CD2 4.39Å; T31-L209 HydrophobicContact CG2-CG 3.89Å; Q34-L209 HydrophobicContact CB-CD1 3.77Å; Q34-L209 HydrophobicContact CG-CD1 4.11Å; N35-L209 WeakPolarHBondContact OD1-CD2 3.46Å; Y151-L209 WeakPolarHBondContact OH-CD2 3.37Å; V155-L209 HydrophobicContact CG2-CD2 4.22Å; L182-L209 HydrophobicContact CD2-CD1 4.01Å; S205-L209 PolarHBondContact O-N 3.42Å; G206-L209 WeakPolarHBondContact O-CB 3.19Å; G206-L209 PolarHBondContact O-N 3.17Å; M207-L209 VanDerWaalsContact C-N 3.32Å; M207-L209 PolarHBondContact O-N 3.16Å; L209-G211 VanDerWaalsContact C-N 3.32Å; L209-G211 PolarHBondContact O-N 3.36Å; L209-I212 PolarHBondContact O-N 3.25Å; L209-I213 HydrophobicContact CD2-CD1 4Å; L209-I213 HydrophobicContact CG-CD1 4.05Å; L209-I213 WeakPolarHBondContact O-CG1 3.46Å; L209-I213 PolarHBondContact O-N 2.94Å
210S91.6Very high92.2Very high0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-62.3-42.3178-167.90000111.9V155 A159 G206 M207 A208 I212 I213 L214V155-S210 WeakPolarHBondContact O-CB 3.46Å; V155-S210 PolarHBondContact O-OG 3.16Å; V155-S210 VanDerWaalsContact O-OG 3.04Å; A159-S210 WeakPolarHBondContact CA-OG 3.25Å; A159-S210 VanDerWaalsContact CB-OG 3.25Å; A159-S210 WeakPolarHBondContact CB-OG 3.5Å; A159-S210 PolarHBondContact N-OG 2.82Å; G206-S210 PolarHBondContact O-N 3.04Å; M207-S210 WeakPolarHBondContact O-CB 3.34Å; M207-S210 PolarHBondContact O-N 2.82Å; A208-S210 VanDerWaalsContact C-N 3.3Å; A208-S210 PolarHBondContact O-N 3.48Å; S210-I212 VanDerWaalsContact C-N 3.31Å; S210-I212 PolarHBondContact O-N 2.97Å; S210-I213 PolarHBondContact O-N 2.85Å; S210-L214 WeakPolarHBondContact O-CB 3.4Å; S210-L214 WeakPolarHBondContact O-CG 3.22Å; S210-L214 PolarHBondContact O-N 3.25Å
211G90.4Very high91.6Very high0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-56.8-42.3173.300000112.7M207 A208 L209 N215M207-G211 PolarHBondContact O-N 3.45Å; A208-G211 PolarHBondContact O-N 3.36Å; A208-G211 VanDerWaalsContact O-N 3.13Å; L209-G211 VanDerWaalsContact C-N 3.32Å; L209-G211 PolarHBondContact O-N 3.36Å; G211-N215 VanDerWaalsContact O-CB 3.25Å; G211-N215 WeakPolarHBondContact O-CB 3.38Å; G211-N215 PolarHBondContact O-N 2.89Å; G211-N215 VanDerWaalsContact O-N 3.14Å; G211-N215 PolarHBondContact O-ND2 2.9Å
212I93Very high91.2Very high7 Ų721.7 Ų21.74%0.03612%0.119CC..Hα-helixtrans-65.5-48.1176.9-65.3146.6000111.5L175 Y179 L182 A208 L209 S210 G216L175-I212 HydrophobicContact CD1-CB 4.39Å; L175-I212 HydrophobicContact CD1-CG2 4.32Å; Y179-I212 HydrophobicContact CD1-CD1 4.47Å; Y179-I212 HydrophobicContact CD1-CG1 4.25Å; Y179-I212 HydrophobicContact CE1-CG1 4.14Å; Y179-I212 HydrophobicContact CE1-CG2 3.88Å; L182-I212 HydrophobicContact CB-CD1 4.01Å; L182-I212 HydrophobicContact CD2-CD1 3.54Å; L182-I212 HydrophobicContact CG-CD1 4.42Å; A208-I212 WeakPolarHBondContact O-CD1 3.17Å; A208-I212 WeakPolarHBondContact O-CG1 3.42Å; A208-I212 PolarHBondContact O-N 2.9Å; L209-I212 PolarHBondContact O-N 3.25Å; S210-I212 VanDerWaalsContact C-N 3.31Å; S210-I212 PolarHBondContact O-N 2.97Å; I212-G216 WeakPolarHBondContact O-CA 3.4Å; I212-G216 PolarHBondContact O-N 3.47Å
213I89.4Confident90.8Very high44 Ų4421.8 Ų21.823%0.22612%0.119CC..Hα-helixtrans-63.8-51.3-176.9-67169.3000110.6T31 L209 S210 V217T31-I213 HydrophobicContact CG2-CD1 3.75Å; T31-I213 HydrophobicContact CG2-CG1 3.59Å; L209-I213 HydrophobicContact CD2-CD1 4Å; L209-I213 HydrophobicContact CG-CD1 4.05Å; L209-I213 WeakPolarHBondContact O-CG1 3.46Å; L209-I213 PolarHBondContact O-N 2.94Å; S210-I213 PolarHBondContact O-N 2.85Å; I213-V217 WeakPolarHBondContact O-CB 3.4Å; I213-V217 VanDerWaalsContact O-CG2 3.29Å; I213-V217 WeakPolarHBondContact O-CG2 3.39Å; I213-V217 PolarHBondContact O-N 2.87Å
214L87.3Confident90.3Very high54 Ų5418.7 Ų18.728%0.28311%0.106SC..Hα-helixtrans-65.4-53.4-175.5-69.3175.6000111.4A159 S210 G216 V217 S218A159-L214 HydrophobicContact CB-CD1 3.86Å; S210-L214 WeakPolarHBondContact O-CB 3.4Å; S210-L214 WeakPolarHBondContact O-CG 3.22Å; S210-L214 PolarHBondContact O-N 3.25Å; L214-G216 VanDerWaalsContact C-N 3.33Å; L214-G216 PolarHBondContact O-N 3.46Å; L214-V217 PolarHBondContact O-N 3.19Å; L214-S218 PolarHBondContact O-N 3.1Å; L214-S218 PolarHBondContact O-OG 3.49Å; L214-S218 VanDerWaalsContact O-OG 3.13Å
215N89.9Confident89.5Confident1 Ų116.3 Ų16.31%0.0059%0.093CC..Hα-helixtrans-68.7-34.7-177.2-68.4-76000112.1S166 V174 L175 G211 L219S166-N215 WeakPolarHBondContact CB-OD1 3.45Å; V174-N215 VanDerWaalsContact CG1-ND2 3.34Å; V174-N215 WeakPolarHBondContact CG1-ND2 3.23Å; L175-N215 HydrophobicContact CB-CB 3.91Å; L175-N215 HydrophobicContact CD1-CB 4.24Å; G211-N215 VanDerWaalsContact O-CB 3.25Å; G211-N215 WeakPolarHBondContact O-CB 3.38Å; G211-N215 PolarHBondContact O-N 2.89Å; G211-N215 VanDerWaalsContact O-N 3.14Å; G211-N215 PolarHBondContact O-ND2 2.9Å; N215-L219 WeakPolarHBondContact O-CB 3.28Å; N215-L219 PolarHBondContact O-N 3.48Å
216G90.8Very high88.6Confident5 Ų519.6 Ų19.65%0.05211%0.114CC..Hα-helixtrans-64.4-41.7175.100000112.6I24 I212 L214 K220I24-G216 WeakPolarHBondContact CG2-O 3.33Å; I212-G216 WeakPolarHBondContact O-CA 3.4Å; I212-G216 PolarHBondContact O-N 3.47Å; L214-G216 VanDerWaalsContact C-N 3.33Å; L214-G216 PolarHBondContact O-N 3.46Å; G216-K220 VanDerWaalsContact O-CE 3.22Å; G216-K220 WeakPolarHBondContact O-CE 3.35Å; G216-K220 WeakPolarHBondContact O-CG 3.33Å; G216-K220 PolarHBondContact O-N 2.97Å
217V86.5Confident87.7Confident69 Ų6928 Ų2842%0.41815%0.15SC..Hα-helixtrans-67.6-47.3175.5171.50000111I213 L214 L219 K220 V221I213-V217 WeakPolarHBondContact O-CB 3.4Å; I213-V217 VanDerWaalsContact O-CG2 3.29Å; I213-V217 WeakPolarHBondContact O-CG2 3.39Å; I213-V217 PolarHBondContact O-N 2.87Å; L214-V217 PolarHBondContact O-N 3.19Å; V217-L219 PolarHBondContact O-N 2.98Å; V217-K220 PolarHBondContact O-N 3.32Å; V217-V221 HydrophobicContact CG1-CG2 4.28Å; V217-V221 VanDerWaalsContact O-CG2 3.31Å; V217-V221 WeakPolarHBondContact O-CG2 3.42Å; V217-V221 PolarHBondContact O-N 2.88Å
218S85.6Confident86.9Confident46 Ų4628.2 Ų28.232%0.32215%0.153SC..Hα-helixtrans-58.2-48.2178.8-63.70000111.8L214 K220 V221 E222L214-S218 PolarHBondContact O-N 3.1Å; L214-S218 PolarHBondContact O-OG 3.49Å; L214-S218 VanDerWaalsContact O-OG 3.13Å; S218-K220 VanDerWaalsContact C-N 3.34Å; S218-K220 PolarHBondContact O-N 2.97Å; S218-V221 PolarHBondContact O-N 2.79Å; S218-E222 WeakPolarHBondContact O-CB 3.48Å; S218-E222 VanDerWaalsContact O-CG 3.27Å; S218-E222 WeakPolarHBondContact O-CG 3.44Å; S218-E222 PolarHBondContact O-N 3.48Å
219L88.9Confident86.3Confident0 Ų031.9 Ų31.90%017%0.167CC..Hα-helixtrans-62.8-40.2-179.1-16666.4000112I24 R171 L175 N215 V217 W223 Y278I24-L219 HydrophobicContact CD1-CB 4.32Å; I24-L219 HydrophobicContact CD1-CD2 3.81Å; I24-L219 HydrophobicContact CD1-CG 4.13Å; R171-L219 HydrophobicContact CB-CD1 4.28Å; L175-L219 HydrophobicContact CD2-CD2 4.18Å; N215-L219 WeakPolarHBondContact O-CB 3.28Å; N215-L219 PolarHBondContact O-N 3.48Å; V217-L219 PolarHBondContact O-N 2.98Å; L219-W223 PolarHBondContact O-N 3.21Å; L219-Y278 HydrophobicContact CD2-CG 4.49Å
220K88.9Confident85.5Confident9 Ų935.8 Ų35.84%0.03919%0.191CC..Hα-helixtrans-60.8-49.7173.6-78.7-177.6-67.6-170.80111.8I24 S25 G216 V217 S218 E222 W223 I224 V232 T236I24-K220 HydrophobicContact CB-CD 4.03Å; I24-K220 HydrophobicContact CB-CG 3.96Å; I24-K220 HydrophobicContact CD1-CG 3.95Å; I24-K220 HydrophobicContact CG2-CD 3.75Å; I24-K220 HydrophobicContact CG2-CG 3.76Å; S25-K220 PolarHBondContact OG-NZ 3.21Å; G216-K220 VanDerWaalsContact O-CE 3.22Å; G216-K220 WeakPolarHBondContact O-CE 3.35Å; G216-K220 WeakPolarHBondContact O-CG 3.33Å; G216-K220 PolarHBondContact O-N 2.97Å; V217-K220 PolarHBondContact O-N 3.32Å; S218-K220 VanDerWaalsContact C-N 3.34Å; S218-K220 PolarHBondContact O-N 2.97Å; K220-E222 VanDerWaalsContact C-N 3.3Å; K220-E222 PolarHBondContact O-N 3.27Å; K220-W223 PolarHBondContact O-N 3.29Å; K220-I224 WeakPolarHBondContact O-CD1 3.42Å; K220-I224 WeakPolarHBondContact O-CG1 3.34Å; K220-I224 WeakPolarHBondContact O-CG2 3.35Å; K220-I224 PolarHBondContact O-N 2.66Å; K220-V232 HydrophobicContact CD-CG1 4.41Å; K220-T236 PolarHBondContact NZ-OG1 2.82Å
221V84.6Confident85Confident48 Ų4840.5 Ų40.529%0.29122%0.219SC..Hα-helixtrans-67.7-30.8-174.6171.80000112.3V217 S218 R229V217-V221 HydrophobicContact CG1-CG2 4.28Å; V217-V221 VanDerWaalsContact O-CG2 3.31Å; V217-V221 WeakPolarHBondContact O-CG2 3.42Å; V217-V221 PolarHBondContact O-N 2.88Å; S218-V221 PolarHBondContact O-N 2.79Å; V221-R229 VanDerWaalsContact CG1-CZ 3.48Å; V221-R229 PolarHBondContact O-NE 3.36Å; V221-R229 PolarHBondContact O-NH2 3.39Å
222E85.9Confident84.8Confident28 Ų2840.7 Ų40.713%0.13122%0.221CC..Hα-helixtrans-76.5-25.2179.7-72.6172.4162.500112.9R171 S218 K220 S281R171-E222 IonicContact CZ-OE1 3.77Å; R171-E222 IonicContact NE-OE1 3.29Å; R171-E222 PolarHBondContact NE-OE1 2.85Å; R171-E222 VanDerWaalsContact NE-OE1 3.09Å; R171-E222 IonicContact NE-OE2 3.57Å; R171-E222 PolarHBondContact NE-OE2 3.41Å; R171-E222 IonicContact NH2-OE1 3.39Å; R171-E222 PolarHBondContact NH2-OE1 3.11Å; S218-E222 WeakPolarHBondContact O-CB 3.48Å; S218-E222 VanDerWaalsContact O-CG 3.27Å; S218-E222 WeakPolarHBondContact O-CG 3.44Å; S218-E222 PolarHBondContact O-N 3.48Å; K220-E222 VanDerWaalsContact C-N 3.3Å; K220-E222 PolarHBondContact O-N 3.27Å; E222-S281 WeakPolarHBondContact OE2-CB 2.99Å; E222-S281 PolarHBondContact OE2-OG 2.95Å
223W86.2Confident84.2Confident1 Ų142 Ų420%0.00424%0.236CC..Hα-helixtrans-96.1-2.7177.5-81.5110.1000115.1L7 Y16 Q17 H20 L219 K220 A279 E280 A282 L298 V301L7-W223 HydrophobicContact CD2-CE3 4.27Å; Y16-W223 HydrophobicContact CE1-CD2 4.06Å; Y16-W223 HydrophobicContact CE1-CE3 4.01Å; Y16-W223 HydrophobicContact CE1-CG 4.39Å; Q17-W223 WeakPolarHBondContact CG-O 3.44Å; H20-W223 AromaticContact NE2-CD1 3.51Å; L219-W223 PolarHBondContact O-N 3.21Å; K220-W223 PolarHBondContact O-N 3.29Å; W223-A279 HydrophobicContact CH2-CB 4.36Å; W223-A279 HydrophobicContact CZ2-CB 3.54Å; W223-A279 PolarHBondContact NE1-O 3.47Å; W223-E280 VanDerWaalsContact CZ2-O 3.25Å; W223-E280 WeakPolarHBondContact CZ2-O 3.31Å; W223-E280 PolarHBondContact NE1-O 3.42Å; W223-A282 HydrophobicContact CH2-CB 3.97Å; W223-A282 HydrophobicContact CZ2-CB 4.11Å; W223-L298 HydrophobicContact CZ3-CD2 4.14Å; W223-V301 HydrophobicContact CE3-CG2 4.03Å; W223-V301 HydrophobicContact CH2-CG2 3.76Å; W223-V301 HydrophobicContact CZ3-CB 4.18Å; W223-V301 HydrophobicContact CZ3-CG1 4.48Å; W223-V301 HydrophobicContact CZ3-CG2 3.4Å
224I86.3Confident83.8Confident1 Ų141.8 Ų41.81%0.00524%0.237CC..SBendtrans-115.3143.4-178.866.8-171.2000112.8F13 Q17 V21 K220 R229 V232F13-I224 HydrophobicContact CD2-CG2 4.27Å; F13-I224 HydrophobicContact CE2-CG2 4.03Å; Q17-I224 HydrophobicContact CB-CG2 4.45Å; Q17-I224 HydrophobicContact CG-CG2 4.43Å; V21-I224 HydrophobicContact CG2-CG2 3.97Å; K220-I224 WeakPolarHBondContact O-CD1 3.42Å; K220-I224 WeakPolarHBondContact O-CG1 3.34Å; K220-I224 WeakPolarHBondContact O-CG2 3.35Å; K220-I224 PolarHBondContact O-N 2.66Å; I224-R229 HydrophobicContact CD1-CB 4.35Å; I224-R229 HydrophobicContact CD1-CG 3.78Å; I224-R229 HydrophobicContact CG1-CG 3.75Å; I224-V232 HydrophobicContact CD1-CB 3.82Å; I224-V232 HydrophobicContact CD1-CG1 3.86Å; I224-V232 HydrophobicContact CD1-CG2 3.91Å
225P81.4Confident83.7Confident4 Ų441.8 Ų41.83%0.02624%0.237CC..  trans-59.1152.7171.2-22.533000112.4D8 K227 T228 R229D8-P225 WeakPolarHBondContact OD1-CB 3.49Å; D8-P225 VanDerWaalsContact OD1-CG 3.23Å; D8-P225 WeakPolarHBondContact OD1-CG 3.12Å; P225-K227 VanDerWaalsContact C-N 3.29Å; P225-K227 PolarHBondContact O-N 3.02Å; P225-T228 PolarHBondContact O-N 3.09Å; P225-T228 PolarHBondContact O-OG1 2.7Å; P225-R229 WeakPolarHBondContact O-CG 3.5Å
226T76.6Confident83.5Confident70 Ų7043.1 Ų43.143%0.42925%0.245SC..G310 helixtrans-58.3-38-178.735.60000113.5T4 T228 R229T4-T226 HydrophobicContact CG2-CG2 3.63Å; T226-T228 PolarHBondContact O-N 2.9Å; T226-R229 PolarHBondContact O-N 3.45Å
227K75.1Confident83.1Confident176 Ų17645.3 Ų45.377%0.76526%0.26SS*.G310 helixtrans-61.6-29.3-178.1-62.5178.7-177.6173.70113.5P225P225-K227 VanDerWaalsContact C-N 3.29Å; P225-K227 PolarHBondContact O-N 3.02Å
228T78.9Confident83.1Confident30 Ų3043.9 Ų43.918%0.18425%0.248CC..G310 helixtrans-99.7-4.9-176.456.30000113.9F13 P225 T226 T230 V231 V232F13-T228 HydrophobicContact CB-CG2 3.88Å; F13-T228 HydrophobicContact CD1-CG2 4.45Å; F13-T228 HydrophobicContact CD2-CG2 4.19Å; F13-T228 HydrophobicContact CG-CG2 3.94Å; P225-T228 PolarHBondContact O-N 3.09Å; P225-T228 PolarHBondContact O-OG1 2.7Å; T226-T228 PolarHBondContact O-N 2.9Å; T228-T230 VanDerWaalsContact C-N 3.31Å; T228-T230 PolarHBondContact O-N 3.09Å; T228-V231 PolarHBondContact O-N 3.24Å; T228-V232 WeakPolarHBondContact O-CG2 3.47Å; T228-V232 PolarHBondContact O-N 3.12Å
229R81.3Confident83.3Confident76 Ų7643.7 Ų43.729%0.28724%0.241SC..Hα-helixtrans-56.5-42.6-179.1-72.8177.4-179.8-171.4-10.3112.9V221 I224 P225 T226 V232 G233V221-R229 VanDerWaalsContact CG1-CZ 3.48Å; V221-R229 PolarHBondContact O-NE 3.36Å; V221-R229 PolarHBondContact O-NH2 3.39Å; I224-R229 HydrophobicContact CD1-CB 4.35Å; I224-R229 HydrophobicContact CD1-CG 3.78Å; I224-R229 HydrophobicContact CG1-CG 3.75Å; P225-R229 WeakPolarHBondContact O-CG 3.5Å; T226-R229 PolarHBondContact O-N 3.45Å; R229-V232 PolarHBondContact O-N 3.46Å; R229-G233 PolarHBondContact O-N 2.8Å
230T76.9Confident83.1Confident82 Ų8246 Ų4650%0.50325%0.251SS..Hα-helixtrans-62.9-45.4179.6-490000111.3T228 V232 G233 T234T228-T230 VanDerWaalsContact C-N 3.31Å; T228-T230 PolarHBondContact O-N 3.09Å; T230-V232 PolarHBondContact O-N 2.88Å; T230-G233 PolarHBondContact O-N 2.98Å; T230-T234 PolarHBondContact O-N 3.48Å; T230-T234 PolarHBondContact O-OG1 2.92Å; T230-T234 VanDerWaalsContact O-OG1 3.05Å
231V81.4Confident83.1Confident99 Ų9945.5 Ų45.560%0.625%0.249SC*.Hα-helixtrans-62.2-45.6178.1179.70000111T228 G233 T234 L235T228-V231 PolarHBondContact O-N 3.24Å; V231-G233 VanDerWaalsContact C-N 3.35Å; V231-G233 PolarHBondContact O-N 3.2Å; V231-T234 PolarHBondContact O-N 3.39Å; V231-L235 WeakPolarHBondContact O-CB 3.29Å; V231-L235 PolarHBondContact O-N 3.22Å
232V84.9Confident83.4Confident5 Ų548 Ų483%0.0326%0.257CS..Hα-helixtrans-64.8-38.2178171.60000112F13 V21 K220 I224 T228 R229 T230 L235 T236F13-V232 HydrophobicContact CE2-CG2 3.62Å; F13-V232 HydrophobicContact CZ-CG2 3.77Å; V21-V232 HydrophobicContact CB-CG1 4.46Å; V21-V232 HydrophobicContact CG1-CG1 3.68Å; V21-V232 HydrophobicContact CG1-CG2 4.29Å; V21-V232 HydrophobicContact CG2-CG1 3.85Å; V21-V232 HydrophobicContact CG2-CG2 4.11Å; K220-V232 HydrophobicContact CD-CG1 4.41Å; I224-V232 HydrophobicContact CD1-CB 3.82Å; I224-V232 HydrophobicContact CD1-CG1 3.86Å; I224-V232 HydrophobicContact CD1-CG2 3.91Å; T228-V232 WeakPolarHBondContact O-CG2 3.47Å; T228-V232 PolarHBondContact O-N 3.12Å; R229-V232 PolarHBondContact O-N 3.46Å; T230-V232 PolarHBondContact O-N 2.88Å; V232-L235 PolarHBondContact O-N 3.4Å; V232-T236 WeakPolarHBondContact O-CB 3.5Å; V232-T236 PolarHBondContact O-N 3.13Å; V232-T236 PolarHBondContact O-OG1 3.22Å
233G81.2Confident83.7Confident35 Ų3546.7 Ų46.736%0.36125%0.25SS..Hα-helixtrans-63.4-45.9174.800000112.3R229 T230 V231 T236 S237R229-G233 PolarHBondContact O-N 2.8Å; T230-G233 PolarHBondContact O-N 2.98Å; V231-G233 VanDerWaalsContact C-N 3.35Å; V231-G233 PolarHBondContact O-N 3.2Å; G233-T236 PolarHBondContact O-N 3.34Å; G233-S237 WeakPolarHBondContact O-CB 3.49Å; G233-S237 PolarHBondContact O-N 3.35Å; G233-S237 PolarHBondContact O-OG 3.05Å
234T80.9Confident83.8Confident39 Ų3946.7 Ų46.724%0.23925%0.25CS..Hα-helixtrans-63.2-45.2175.3-57.10000111.3T230 V231 T236 S237 F238T230-T234 PolarHBondContact O-N 3.48Å; T230-T234 PolarHBondContact O-OG1 2.92Å; T230-T234 VanDerWaalsContact O-OG1 3.05Å; V231-T234 PolarHBondContact O-N 3.39Å; T234-T236 PolarHBondContact O-N 3.48Å; T234-S237 WeakPolarHBondContact O-CA 3.4Å; T234-S237 WeakPolarHBondContact O-CB 3.37Å; T234-S237 PolarHBondContact O-N 3.22Å; T234-S237 VanDerWaalsContact O-N 3.08Å; T234-F238 HydrophobicContact CG2-CD2 4.15Å; T234-F238 HydrophobicContact CG2-CE2 3.56Å; T234-F238 HydrophobicContact CG2-CZ 4.26Å; T234-F238 VanDerWaalsContact O-CD2 3.26Å; T234-F238 WeakPolarHBondContact O-CD2 3.49Å; T234-F238 PolarHBondContact O-N 3.45Å
235L85.3Confident84.1Confident53 Ų5349.2 Ų49.228%0.27726%0.263SS..Hα-helixtrans-58.7-47.5176.1-179.462.6000111.6W18 V21 V231 V232 S237 F238 F239W18-L235 HydrophobicContact CZ3-CD2 4.09Å; V21-L235 HydrophobicContact CG1-CD2 4.36Å; V231-L235 WeakPolarHBondContact O-CB 3.29Å; V231-L235 PolarHBondContact O-N 3.22Å; V232-L235 PolarHBondContact O-N 3.4Å; L235-S237 PolarHBondContact O-N 3.4Å; L235-F238 WeakPolarHBondContact O-CB 3.38Å; L235-F238 PolarHBondContact O-N 3.02Å; L235-F238 VanDerWaalsContact O-N 3.1Å; L235-F239 HydrophobicContact CD1-CD2 4.49Å; L235-F239 HydrophobicContact CD1-CE2 3.97Å; L235-F239 HydrophobicContact CD2-CE2 4.39Å; L235-F239 HydrophobicContact CG-CD2 4.28Å; L235-F239 HydrophobicContact CG-CE2 3.85Å; L235-F239 VanDerWaalsContact O-CD2 3.25Å; L235-F239 WeakPolarHBondContact O-CD2 3.23Å; L235-F239 PolarHBondContact O-N 3.46Å
236T84.9Confident84.6Confident30 Ų3052.5 Ų52.518%0.18428%0.279CS..Hα-helixtrans-56.8-40.7174.6-59.10000111.4S25 K220 V232 G233 T234 F238 F239 F240S25-T236 PolarHBondContact OG-OG1 3.17Å; K220-T236 PolarHBondContact NZ-OG1 2.82Å; V232-T236 WeakPolarHBondContact O-CB 3.5Å; V232-T236 PolarHBondContact O-N 3.13Å; V232-T236 PolarHBondContact O-OG1 3.22Å; G233-T236 PolarHBondContact O-N 3.34Å; T234-T236 PolarHBondContact O-N 3.48Å; T236-F238 VanDerWaalsContact C-N 3.27Å; T236-F238 PolarHBondContact O-N 3.14Å; T236-F239 WeakPolarHBondContact O-CB 3.43Å; T236-F239 PolarHBondContact O-N 3.05Å; T236-F240 PolarHBondContact O-N 3.28Å
237S83Confident85.3Confident51 Ų5149.2 Ų49.236%0.35726%0.259SS..Hα-helixtrans-66.6-29.1-179.9-59.40000112.4G233 T234 L235 T241 K392G233-S237 WeakPolarHBondContact O-CB 3.49Å; G233-S237 PolarHBondContact O-N 3.35Å; G233-S237 PolarHBondContact O-OG 3.05Å; T234-S237 WeakPolarHBondContact O-CA 3.4Å; T234-S237 WeakPolarHBondContact O-CB 3.37Å; T234-S237 PolarHBondContact O-N 3.22Å; T234-S237 VanDerWaalsContact O-N 3.08Å; L235-S237 PolarHBondContact O-N 3.4Å; S237-T241 PolarHBondContact O-N 3.28Å; S237-T241 PolarHBondContact O-OG1 2.8Å; S237-K392 PolarHBondContact O-NZ 3.14Å
238F86.3Confident86.1Confident38 Ų3840.9 Ų40.917%0.16722%0.223CC..Hα-helixtrans-71-42171.9-73.6-59.5000112.1T234 L235 T236 F240 T241 F242 I389 F393T234-F238 HydrophobicContact CG2-CD2 4.15Å; T234-F238 HydrophobicContact CG2-CE2 3.56Å; T234-F238 HydrophobicContact CG2-CZ 4.26Å; T234-F238 VanDerWaalsContact O-CD2 3.26Å; T234-F238 WeakPolarHBondContact O-CD2 3.49Å; T234-F238 PolarHBondContact O-N 3.45Å; L235-F238 WeakPolarHBondContact O-CB 3.38Å; L235-F238 PolarHBondContact O-N 3.02Å; L235-F238 VanDerWaalsContact O-N 3.1Å; T236-F238 VanDerWaalsContact C-N 3.27Å; T236-F238 PolarHBondContact O-N 3.14Å; F238-F240 PolarHBondContact O-N 2.8Å; F238-T241 PolarHBondContact O-N 2.93Å; F238-T241 VanDerWaalsContact O-N 3.07Å; F238-F242 HydrophobicContact CB-CD2 4.26Å; F238-F242 HydrophobicContact CB-CE2 4.14Å; F238-F242 WeakPolarHBondContact O-CD2 3.37Å; F238-F242 PolarHBondContact O-N 3.01Å; F238-I389 HydrophobicContact CD1-CG1 4.48Å; F238-I389 HydrophobicContact CE1-CG1 4.41Å; F238-I389 HydrophobicContact CE1-CG2 4.07Å; F238-F393 HydrophobicContact CE1-CE2 4.2Å; F238-F393 HydrophobicContact CE2-CZ 4.47Å; F238-F393 HydrophobicContact CZ-CE1 4.49Å; F238-F393 AromaticContact CZ-CE2 3.79Å; F238-F393 HydrophobicContact CZ-CE2 3.79Å; F238-F393 AromaticContact CZ-CZ 3.69Å; F238-F393 HydrophobicContact CZ-CZ 3.69Å
239F89.4Confident86.7Confident42 Ų4241.2 Ų41.218%0.18423%0.233CC..Hα-helixtrans-54.8-39.4173-77.6-79.7000111.5L29 L235 T236 G243L29-F239 HydrophobicContact CD1-CD1 4.04Å; L29-F239 HydrophobicContact CD1-CE1 4.47Å; L29-F239 HydrophobicContact CD2-CB 4.42Å; L29-F239 HydrophobicContact CD2-CD1 3.98Å; L29-F239 VanDerWaalsContact CD2-O 3.24Å; L29-F239 WeakPolarHBondContact CD2-O 3.21Å; L29-F239 HydrophobicContact CG-CB 4.47Å; L29-F239 HydrophobicContact CG-CD1 3.83Å; L235-F239 HydrophobicContact CD1-CD2 4.49Å; L235-F239 HydrophobicContact CD1-CE2 3.97Å; L235-F239 HydrophobicContact CD2-CE2 4.39Å; L235-F239 HydrophobicContact CG-CD2 4.28Å; L235-F239 HydrophobicContact CG-CE2 3.85Å; L235-F239 VanDerWaalsContact O-CD2 3.25Å; L235-F239 WeakPolarHBondContact O-CD2 3.23Å; L235-F239 PolarHBondContact O-N 3.46Å; T236-F239 WeakPolarHBondContact O-CB 3.43Å; T236-F239 PolarHBondContact O-N 3.05Å; F239-G243 PolarHBondContact O-N 3.43Å
240F86.5Confident87.2Confident48 Ų4839.3 Ų39.321%0.21123%0.228CC..Hα-helixtrans-64.2-45.3175.6-165.4-89.8000112.6A32 T236 F238 G243 Q244A32-F240 HydrophobicContact CB-CB 4.42Å; A32-F240 HydrophobicContact CB-CD1 3.87Å; A32-F240 HydrophobicContact CB-CD2 3.5Å; A32-F240 HydrophobicContact CB-CE1 3.92Å; A32-F240 HydrophobicContact CB-CE2 3.57Å; A32-F240 HydrophobicContact CB-CG 3.67Å; A32-F240 HydrophobicContact CB-CZ 3.77Å; A32-F240 WeakPolarHBondContact CB-O 3.43Å; T236-F240 PolarHBondContact O-N 3.28Å; F238-F240 PolarHBondContact O-N 2.8Å; F240-G243 PolarHBondContact O-N 2.95Å; F240-Q244 PolarHBondContact O-N 3.04Å; F240-Q244 VanDerWaalsContact O-N 3.11Å
241T88.4Confident87.9Confident0 Ų035.5 Ų35.50%021%0.205CC..Hα-helixtrans-64.9-43.7178.5-66.90000112.5S237 F238 G243 Q244 M245 G385 D388 I389 K392S237-T241 PolarHBondContact O-N 3.28Å; S237-T241 PolarHBondContact O-OG1 2.8Å; F238-T241 PolarHBondContact O-N 2.93Å; F238-T241 VanDerWaalsContact O-N 3.07Å; T241-G243 VanDerWaalsContact C-N 3.28Å; T241-G243 PolarHBondContact O-N 2.92Å; T241-Q244 WeakPolarHBondContact O-CB 3.13Å; T241-Q244 PolarHBondContact O-N 3.31Å; T241-M245 PolarHBondContact O-N 3.45Å; T241-G385 WeakPolarHBondContact CG2-O 3.5Å; T241-D388 HydrophobicContact CG2-CB 4.03Å; T241-I389 HydrophobicContact CG2-CD1 4.28Å; T241-I389 HydrophobicContact CG2-CG1 3.78Å; T241-K392 PolarHBondContact OG1-NZ 3.49Å
242F90.7Very high88.4Confident101 Ų10138.6 Ų38.644%0.44321%0.207SC..Hα-helixtrans-62.7-37.9174-74.9-62.6000111.7L29 F238 Q244 M245 I246L29-F242 HydrophobicContact CD2-CB 3.83Å; F238-F242 HydrophobicContact CB-CD2 4.26Å; F238-F242 HydrophobicContact CB-CE2 4.14Å; F238-F242 WeakPolarHBondContact O-CD2 3.37Å; F238-F242 PolarHBondContact O-N 3.01Å; F242-Q244 VanDerWaalsContact C-N 3.32Å; F242-Q244 PolarHBondContact O-N 2.92Å; F242-M245 HydrophobicContact CD1-SD 4.45Å; F242-M245 PolarHBondContact O-N 3.37Å; F242-M245 VanDerWaalsContact O-N 3.15Å; F242-I246 VanDerWaalsContact O-CG1 3.3Å; F242-I246 WeakPolarHBondContact O-CG1 3.29Å; F242-I246 PolarHBondContact O-N 3.44Å
243G91.1Very high88.7Confident0 Ų047.6 Ų47.60%024%0.24CC..Hα-helixtrans-56.3-45174.200000113.1L29 S33 F239 F240 T241 M245 I246 L247L29-G243 WeakPolarHBondContact O-CA 3.34Å; S33-G243 PolarHBondContact OG-O 2.97Å; F239-G243 PolarHBondContact O-N 3.43Å; F240-G243 PolarHBondContact O-N 2.95Å; T241-G243 VanDerWaalsContact C-N 3.28Å; T241-G243 PolarHBondContact O-N 2.92Å; G243-M245 VanDerWaalsContact C-N 3.32Å; G243-M245 PolarHBondContact O-N 3.32Å; G243-I246 PolarHBondContact O-N 3.05Å; G243-L247 PolarHBondContact O-N 3.19Å
244Q89.1Confident89.2Confident0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-61.2-38.2176.2-173175.7-15.500112.9L36 F240 T241 F242 A248 Q381L36-Q244 HydrophobicContact CD1-CB 4.46Å; L36-Q244 HydrophobicContact CD1-CG 3.53Å; L36-Q244 VanDerWaalsContact CD1-NE2 3.32Å; F240-Q244 PolarHBondContact O-N 3.04Å; F240-Q244 VanDerWaalsContact O-N 3.11Å; T241-Q244 WeakPolarHBondContact O-CB 3.13Å; T241-Q244 PolarHBondContact O-N 3.31Å; F242-Q244 VanDerWaalsContact C-N 3.32Å; F242-Q244 PolarHBondContact O-N 2.92Å; Q244-A248 PolarHBondContact O-N 3.17Å; Q244-Q381 HydrophobicContact CG-CG 4.25Å; Q244-Q381 VanDerWaalsContact NE2-OE1 3.16Å
245M91.6Very high89.6Confident54 Ų5449.1 Ų49.127%0.26623%0.232SC..Hα-helixtrans-71.3-40.2176.2-63.1173.267.700111.8T241 F242 G243 L247 A248 G249 I382T241-M245 PolarHBondContact O-N 3.45Å; F242-M245 HydrophobicContact CD1-SD 4.45Å; F242-M245 PolarHBondContact O-N 3.37Å; F242-M245 VanDerWaalsContact O-N 3.15Å; G243-M245 VanDerWaalsContact C-N 3.32Å; G243-M245 PolarHBondContact O-N 3.32Å; M245-L247 VanDerWaalsContact C-N 3.3Å; M245-L247 PolarHBondContact O-N 3.34Å; M245-A248 WeakPolarHBondContact O-CB 3.49Å; M245-A248 PolarHBondContact O-N 3.4Å; M245-A248 VanDerWaalsContact O-N 3.17Å; M245-G249 PolarHBondContact O-N 3.18Å; M245-I382 HydrophobicContact CE-CG2 4.36Å
246I92.3Very high90Very high74 Ų7448.2 Ų48.238%0.37923%0.228SC..Hα-helixtrans-60.1-42.2174.8-69.2165.7000110.3L29 M30 F242 G243 A248 G249 L250L29-I246 HydrophobicContact CD2-CD1 3.98Å; M30-I246 HydrophobicContact CE-CG2 4.07Å; F242-I246 VanDerWaalsContact O-CG1 3.3Å; F242-I246 WeakPolarHBondContact O-CG1 3.29Å; F242-I246 PolarHBondContact O-N 3.44Å; G243-I246 PolarHBondContact O-N 3.05Å; I246-A248 VanDerWaalsContact C-N 3.3Å; I246-A248 PolarHBondContact O-N 2.89Å; I246-G249 PolarHBondContact O-N 2.88Å; I246-L250 HydrophobicContact CG2-CD1 3.89Å; I246-L250 HydrophobicContact CG2-CG 4.16Å; I246-L250 WeakPolarHBondContact O-CG 3.47Å; I246-L250 PolarHBondContact O-N 3.2Å
247L91.6Very high90.3Very high0 Ų047 Ų470%022%0.22CC..Hα-helixtrans-55.3-45174.9173.867.7000111.8S33 L36 L37 F40 G243 M245 G249 L250 A251 V264S33-L247 WeakPolarHBondContact O-CD2 3.5Å; L36-L247 HydrophobicContact CB-CD2 4.05Å; L37-L247 HydrophobicContact CD1-CD1 3.74Å; F40-L247 HydrophobicContact CD2-CD1 4.43Å; F40-L247 HydrophobicContact CD2-CD2 3.91Å; F40-L247 HydrophobicContact CD2-CG 4.02Å; F40-L247 HydrophobicContact CE2-CD2 3.77Å; F40-L247 HydrophobicContact CE2-CG 3.89Å; G243-L247 PolarHBondContact O-N 3.19Å; M245-L247 VanDerWaalsContact C-N 3.3Å; M245-L247 PolarHBondContact O-N 3.34Å; L247-G249 VanDerWaalsContact C-N 3.34Å; L247-G249 PolarHBondContact O-N 3.2Å; L247-L250 PolarHBondContact O-N 3.43Å; L247-A251 VanDerWaalsContact O-CB 3.29Å; L247-A251 WeakPolarHBondContact O-CB 3.21Å; L247-A251 PolarHBondContact O-N 3.35Å; L247-V264 HydrophobicContact CD1-CG2 4.16Å
248A92.1Very high90.8Very high1 Ų147.5 Ų47.51%0.00821%0.214CC..Hα-helixtrans-62.7-41.8-179.500000111.9F40 Q244 M245 I246 A251 Y252 Q381 I382F40-A248 HydrophobicContact CZ-CB 4.31Å; Q244-A248 PolarHBondContact O-N 3.17Å; M245-A248 WeakPolarHBondContact O-CB 3.49Å; M245-A248 PolarHBondContact O-N 3.4Å; M245-A248 VanDerWaalsContact O-N 3.17Å; I246-A248 VanDerWaalsContact C-N 3.3Å; I246-A248 PolarHBondContact O-N 2.89Å; A248-A251 PolarHBondContact O-N 3Å; A248-Y252 PolarHBondContact O-N 2.85Å; A248-Q381 HydrophobicContact CB-CB 3.92Å; A248-Q381 HydrophobicContact CB-CG 3.8Å; A248-I382 HydrophobicContact CB-CD1 4.29Å; A248-I382 HydrophobicContact CB-CG1 3.62Å
249G91.9Very high91.2Very high38 Ų3851.5 Ų51.539%0.39223%0.231SC..Hα-helixtrans-64.7-43.6174.700000112.8M245 I246 L247 Y252 W253M245-G249 PolarHBondContact O-N 3.18Å; I246-G249 PolarHBondContact O-N 2.88Å; L247-G249 VanDerWaalsContact C-N 3.34Å; L247-G249 PolarHBondContact O-N 3.2Å; G249-Y252 PolarHBondContact O-N 3.24Å; G249-W253 PolarHBondContact O-N 3.07Å; G249-W253 VanDerWaalsContact O-N 3.11Å
250L92.4Very high91.4Very high36 Ų3649.7 Ų49.719%0.18822%0.224CC..Hα-helixtrans-62.9-41.4175.4-72.1176000111.9I246 L247 Y252 W253 L254 L260 V263 V264I246-L250 HydrophobicContact CG2-CD1 3.89Å; I246-L250 HydrophobicContact CG2-CG 4.16Å; I246-L250 WeakPolarHBondContact O-CG 3.47Å; I246-L250 PolarHBondContact O-N 3.2Å; L247-L250 PolarHBondContact O-N 3.43Å; L250-Y252 VanDerWaalsContact C-N 3.35Å; L250-W253 PolarHBondContact O-N 3.18Å; L250-L254 WeakPolarHBondContact O-CB 3.38Å; L250-L254 PolarHBondContact O-N 3.34Å; L250-L260 HydrophobicContact CB-CD1 4.04Å; L250-V263 HydrophobicContact CD1-CG1 4.4Å; L250-V263 HydrophobicContact CD2-CG1 4.26Å; L250-V264 HydrophobicContact CD1-CG2 4.45Å
251A91.1Very high91.7Very high1 Ų147.4 Ų47.41%0.00821%0.214CC..Hα-helixtrans-68.1-34.7178.600000112.2F40 L247 A248 W253 L254 L260 Y378F40-A251 HydrophobicContact CB-CB 3.96Å; F40-A251 HydrophobicContact CD1-CB 3.4Å; F40-A251 VanDerWaalsContact CD1-CB 3.4Å; F40-A251 HydrophobicContact CD2-CB 4.02Å; F40-A251 HydrophobicContact CE1-CB 3.85Å; F40-A251 HydrophobicContact CE2-CB 4.39Å; F40-A251 HydrophobicContact CG-CB 3.51Å; F40-A251 HydrophobicContact CZ-CB 4.32Å; L247-A251 VanDerWaalsContact O-CB 3.29Å; L247-A251 WeakPolarHBondContact O-CB 3.21Å; L247-A251 PolarHBondContact O-N 3.35Å; A248-A251 PolarHBondContact O-N 3Å; A251-W253 VanDerWaalsContact C-N 3.34Å; A251-L254 CarbonylContact O-C 3.55Å; A251-L260 HydrophobicContact CB-CD1 4.22Å; A251-L260 HydrophobicContact CB-CD2 3.8Å; A251-Y378 HydrophobicContact CB-CD1 3.99Å; A251-Y378 HydrophobicContact CB-CE1 3.75Å; A251-Y378 WeakPolarHBondContact O-CE1 3.24Å
252Y91.5Very high91.9Very high164 Ų16451.3 Ų51.364%0.64323%0.234SC*.Hα-helixtrans-65.2-39.9173.9-179.9-101000111.7A248 G249 L250 Y378A248-Y252 PolarHBondContact O-N 2.85Å; G249-Y252 PolarHBondContact O-N 3.24Å; L250-Y252 VanDerWaalsContact C-N 3.35Å; Y252-Y378 HydrophobicContact CD2-CD2 4.02Å; Y252-Y378 HydrophobicContact CD2-CE2 4.41Å; Y252-Y378 HydrophobicContact CD2-CG 4.15Å
253W92Very high92Very high194 Ų19449 Ų4974%0.73523%0.228SC*.Hα-helixtrans-75.8-38.7178.2-172.947.4000112.9G249 L250 A251G249-W253 PolarHBondContact O-N 3.07Å; G249-W253 VanDerWaalsContact O-N 3.11Å; L250-W253 PolarHBondContact O-N 3.18Å; A251-W253 VanDerWaalsContact C-N 3.34Å
254L91.8Very high92.1Very high27 Ų2749 Ų4914%0.14123%0.228CC..  trans-111.988.1-177.9-60.3171000110L250 A251 D256 L260 V263L250-L254 WeakPolarHBondContact O-CB 3.38Å; L250-L254 PolarHBondContact O-N 3.34Å; A251-L254 CarbonylContact O-C 3.55Å; L254-D256 PolarHBondContact O-N 3.36Å; L254-L260 HydrophobicContact CB-CB 4.41Å; L254-L260 HydrophobicContact CB-CD1 4.42Å; L254-V263 HydrophobicContact CD1-CB 3.88Å; L254-V263 HydrophobicContact CD1-CG1 4.04Å; L254-V263 HydrophobicContact CD1-CG2 3.65Å
255R89.3Confident92.2Very high79 Ų7949 Ų4930%0.29823%0.228SC..  trans-80.92-178-61.417457-144.3-26.1114.2Q123 S124 E125 F126 S127Q123-R255 PolarHBondContact O-NH2 2.73Å; S124-R255 PolarHBondContact O-NH1 2.96Å; S124-R255 PolarHBondContact O-NH2 3.19Å; E125-R255 PolarHBondContact O-NE 3.35Å; E125-R255 PolarHBondContact O-NH2 3Å; F126-R255 VanDerWaalsContact N-NH2 3.18Å; S127-R255 PolarHBondContact N-O 3.35Å
256D91.9Very high92.2Very high35 Ų3548.3 Ų48.319%0.18723%0.231CC..BIsolated β-bridgetrans-103.4120.5175.5176.5-15000108.9L254 R258 K259 L260L254-D256 PolarHBondContact O-N 3.36Å; D256-R258 VanDerWaalsContact C-N 3.29Å; D256-R258 PolarHBondContact O-N 3.18Å; D256-R258 PolarHBondContact OD1-N 3.39Å; D256-K259 HydrophobicContact CB-CB 4.34Å; D256-K259 HydrophobicContact CB-CD 4.03Å; D256-K259 HydrophobicContact CB-CG 4.22Å; D256-K259 PolarHBondContact O-N 2.92Å; D256-K259 WeakPolarHBondContact OD2-CE 3.36Å; D256-K259 IonicContact OD2-NZ 3.52Å; D256-L260 WeakPolarHBondContact O-CB 3.46Å; D256-L260 PolarHBondContact O-N 3.4Å
257W92.5Very high92.2Very high4 Ų446.9 Ų46.92%0.01523%0.227CC..Hα-helixtrans-61.3-33.5-17479.2-91.1000113.9V41 A128 T129 T130 E133 W134 Y198 Q261V41-W257 HydrophobicContact CB-CB 4.25Å; V41-W257 HydrophobicContact CG1-CB 4Å; V41-W257 HydrophobicContact CG1-CD2 4.31Å; V41-W257 HydrophobicContact CG1-CE3 3.86Å; V41-W257 HydrophobicContact CG1-CG 4.44Å; V41-W257 HydrophobicContact CG2-CB 4.22Å; A128-W257 PolarHBondContact O-N 3.18Å; A128-W257 VanDerWaalsContact O-N 3.12Å; T129-W257 VanDerWaalsContact CA-CD1 3.41Å; T130-W257 HydrophobicContact CG2-CD2 3.73Å; T130-W257 HydrophobicContact CG2-CE3 3.77Å; T130-W257 HydrophobicContact CG2-CG 4.31Å; T130-W257 HydrophobicContact CG2-CH2 4.19Å; T130-W257 HydrophobicContact CG2-CZ2 4.15Å; T130-W257 HydrophobicContact CG2-CZ3 4.02Å; E133-W257 VanDerWaalsContact OE2-CE2 3.23Å; E133-W257 WeakPolarHBondContact OE2-CZ2 3.34Å; E133-W257 PolarHBondContact OE2-NE1 3.2Å; W134-W257 HydrophobicContact CH2-CH2 4.27Å; W134-W257 HydrophobicContact CH2-CZ2 4.41Å; Y198-W257 HydrophobicContact CD2-CH2 4.29Å; Y198-W257 HydrophobicContact CD2-CZ3 4.14Å; Y198-W257 HydrophobicContact CE2-CE3 4.49Å; Y198-W257 HydrophobicContact CE2-CH2 4.29Å; Y198-W257 AromaticContact CE2-CZ3 3.7Å; Y198-W257 HydrophobicContact CE2-CZ3 3.7Å; W257-Q261 VanDerWaalsContact O-CB 3.29Å; W257-Q261 WeakPolarHBondContact O-CB 3.47Å; W257-Q261 PolarHBondContact O-N 2.91Å
258R94.1Very high92.3Very high61 Ų6147 Ų4723%0.2323%0.227CC..Hα-helixtrans-68.9-44.1-179.8-65.2-177.3171.6-93.64.7110.3E133 A190 S192 D256 L262E133-R258 IonicContact OE1-CZ 3.21Å; E133-R258 IonicContact OE1-NE 3.9Å; E133-R258 PolarHBondContact OE1-NE 3.31Å; E133-R258 IonicContact OE1-NH2 3.09Å; E133-R258 PolarHBondContact OE1-NH2 3.37Å; E133-R258 IonicContact OE2-CZ 2.8Å; E133-R258 IonicContact OE2-NE 3.25Å; E133-R258 PolarHBondContact OE2-NE 3.02Å; E133-R258 IonicContact OE2-NH2 3.45Å; E133-R258 PolarHBondContact OE2-NH2 2.89Å; A190-R258 WeakPolarHBondContact CB-O 3.34Å; A190-R258 WeakPolarHBondContact O-CG 3.49Å; A190-R258 PolarHBondContact O-NH1 3.21Å; S192-R258 PolarHBondContact O-NH1 3.01Å; S192-R258 PolarHBondContact O-NH2 3.43Å; D256-R258 VanDerWaalsContact C-N 3.29Å; D256-R258 PolarHBondContact O-N 3.18Å; D256-R258 PolarHBondContact OD1-N 3.39Å; R258-L262 WeakPolarHBondContact O-CB 3.46Å; R258-L262 PolarHBondContact O-N 2.86Å
259K94.1Very high92.4Very high122 Ų12251 Ų5153%0.5325%0.245SC..Hα-helixtrans-65.6-43.8176.5-63.5177.6-168.9159.20111.2D256 L262 V263D256-K259 HydrophobicContact CB-CB 4.34Å; D256-K259 HydrophobicContact CB-CD 4.03Å; D256-K259 HydrophobicContact CB-CG 4.22Å; D256-K259 PolarHBondContact O-N 2.92Å; D256-K259 WeakPolarHBondContact OD2-CE 3.36Å; D256-K259 IonicContact OD2-NZ 3.52Å; K259-L262 PolarHBondContact O-N 3.48Å; K259-V263 WeakPolarHBondContact O-CG2 3.36Å; K259-V263 PolarHBondContact O-N 3.4Å
260L93.4Very high92.5Very high4 Ų454.2 Ų54.22%0.02125%0.252CS..Hα-helixtrans-61-47178.1-17761.7000111.4L37 F40 V41 L250 A251 L254 D256 L262 V263 V264L37-L260 HydrophobicContact CD1-CD2 4Å; L37-L260 HydrophobicContact CD1-CG 3.94Å; F40-L260 HydrophobicContact CB-CD2 3.78Å; V41-L260 HydrophobicContact CG2-CD2 4.25Å; L250-L260 HydrophobicContact CB-CD1 4.04Å; A251-L260 HydrophobicContact CB-CD1 4.22Å; A251-L260 HydrophobicContact CB-CD2 3.8Å; L254-L260 HydrophobicContact CB-CB 4.41Å; L254-L260 HydrophobicContact CB-CD1 4.42Å; D256-L260 WeakPolarHBondContact O-CB 3.46Å; D256-L260 PolarHBondContact O-N 3.4Å; L260-L262 VanDerWaalsContact C-N 3.34Å; L260-L262 PolarHBondContact O-N 3.29Å; L260-V263 PolarHBondContact O-N 3.31Å; L260-V264 HydrophobicContact CD1-CG2 4.31Å; L260-V264 VanDerWaalsContact O-CG2 3.29Å; L260-V264 WeakPolarHBondContact O-CG2 3.44Å; L260-V264 PolarHBondContact O-N 3.01Å; L260-V264 VanDerWaalsContact O-N 3.07Å
261Q92.9Very high92.5Very high0 Ų052.8 Ų52.80%025%0.245CC..Hα-helixtrans-58.2-46.2176.3-175.572.142.200111.2S189 A190 W257 V264 C265S189-Q261 VanDerWaalsContact OG-CD 3.28Å; S189-Q261 VanDerWaalsContact OG-CG 3.28Å; S189-Q261 WeakPolarHBondContact OG-CG 3.27Å; S189-Q261 PolarHBondContact OG-NE2 3.48Å; A190-Q261 HydrophobicContact CB-CB 3.95Å; A190-Q261 HydrophobicContact CB-CG 3.89Å; W257-Q261 VanDerWaalsContact O-CB 3.29Å; W257-Q261 WeakPolarHBondContact O-CB 3.47Å; W257-Q261 PolarHBondContact O-N 2.91Å; Q261-V264 PolarHBondContact O-N 3.4Å; Q261-C265 PolarHBondContact NE2-SG 3.41Å; Q261-C265 VanDerWaalsContact NE2-SG 3.42Å; Q261-C265 WeakPolarHBondContact O-CB 3.34Å; Q261-C265 PolarHBondContact O-N 3.5Å; Q261-C265 PolarHBondContact O-SG 2.97Å
262L93.1Very high92.7Very high82 Ų8254.4 Ų54.443%0.42925%0.252SS..Hα-helixtrans-64.7-44.1180-170.2145.6000112.3A190 R258 K259 L260 V264 C265 A266A190-L262 HydrophobicContact CB-CB 4.31Å; R258-L262 WeakPolarHBondContact O-CB 3.46Å; R258-L262 PolarHBondContact O-N 2.86Å; K259-L262 PolarHBondContact O-N 3.48Å; L260-L262 VanDerWaalsContact C-N 3.34Å; L260-L262 PolarHBondContact O-N 3.29Å; L262-V264 VanDerWaalsContact C-N 3.34Å; L262-V264 PolarHBondContact O-N 3.42Å; L262-C265 PolarHBondContact O-N 3.02Å; L262-A266 HydrophobicContact CD2-CB 4.49Å; L262-A266 WeakPolarHBondContact O-CB 3.03Å; L262-A266 PolarHBondContact O-N 3.37Å
263V93.1Very high92.8Very high52 Ų5250.2 Ų50.232%0.31524%0.243SC..Hα-helixtrans-66.7-34-1801690000112.3L250 L254 K259 L260 P267L250-V263 HydrophobicContact CD1-CG1 4.4Å; L250-V263 HydrophobicContact CD2-CG1 4.26Å; L254-V263 HydrophobicContact CD1-CB 3.88Å; L254-V263 HydrophobicContact CD1-CG1 4.04Å; L254-V263 HydrophobicContact CD1-CG2 3.65Å; K259-V263 WeakPolarHBondContact O-CG2 3.36Å; K259-V263 PolarHBondContact O-N 3.4Å; L260-V263 PolarHBondContact O-N 3.31Å; V263-P267 WeakPolarHBondContact O-CD 3.4Å; V263-P267 WeakPolarHBondContact O-CG 3.12Å
264V91.8Very high92.8Very high1 Ų143.2 Ų43.21%0.00622%0.217CC..Hα-helixtrans-75.5-31.3176.2179.30000111.6Q34 L37 L247 L250 L260 Q261 L262Q34-V264 HydrophobicContact CG-CG1 4.3Å; L37-V264 HydrophobicContact CD1-CG2 4.3Å; L247-V264 HydrophobicContact CD1-CG2 4.16Å; L250-V264 HydrophobicContact CD1-CG2 4.45Å; L260-V264 HydrophobicContact CD1-CG2 4.31Å; L260-V264 VanDerWaalsContact O-CG2 3.29Å; L260-V264 WeakPolarHBondContact O-CG2 3.44Å; L260-V264 PolarHBondContact O-N 3.01Å; L260-V264 VanDerWaalsContact O-N 3.07Å; Q261-V264 PolarHBondContact O-N 3.4Å; L262-V264 VanDerWaalsContact C-N 3.34Å; L262-V264 PolarHBondContact O-N 3.42Å
265C92.1Very high92.8Very high0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-86.5-33.9-179.5-69.70000114.1Q34 G186 Q261 L262 Q268Q34-C265 PolarHBondContact NE2-SG 3.14Å; G186-C265 VanDerWaalsContact C-SG 3.56Å; G186-C265 WeakPolarHBondContact CA-SG 3.39Å; Q261-C265 PolarHBondContact NE2-SG 3.41Å; Q261-C265 VanDerWaalsContact NE2-SG 3.42Å; Q261-C265 WeakPolarHBondContact O-CB 3.34Å; Q261-C265 PolarHBondContact O-N 3.5Å; Q261-C265 PolarHBondContact O-SG 2.97Å; L262-C265 PolarHBondContact O-N 3.02Å; C265-Q268 WeakPolarHBondContact O-CB 3.17Å; C265-Q268 PolarHBondContact O-N 3.37Å
266A92Very high92.9Very high40 Ų4045.2 Ų45.233%0.33122%0.222SC..THydrogen-bonded Turntrans-59.5-39.9-17400000114.8L262 Q268 F269L262-A266 HydrophobicContact CD2-CB 4.49Å; L262-A266 WeakPolarHBondContact O-CB 3.03Å; L262-A266 PolarHBondContact O-N 3.37Å; A266-Q268 PolarHBondContact O-N 2.94Å; A266-F269 PolarHBondContact O-N 2.82Å
267P92.5Very high92.9Very high43 Ų4347.9 Ų47.928%0.27923%0.23SC..Hα-helixtrans-58.3-20.8175.7-26.335.5000113.7M30 V263 F269 L270 F271M30-P267 HydrophobicContact CG-CB 4.31Å; M30-P267 HydrophobicContact SD-CG 4.33Å; V263-P267 WeakPolarHBondContact O-CD 3.4Å; V263-P267 WeakPolarHBondContact O-CG 3.12Å; P267-F269 PolarHBondContact O-N 3.07Å; P267-L270 VanDerWaalsContact O-CB 3.27Å; P267-L270 WeakPolarHBondContact O-CB 3.23Å; P267-L270 PolarHBondContact O-N 2.92Å; P267-F271 HydrophobicContact CB-CE2 4.29Å; P267-F271 HydrophobicContact CB-CZ 4.13Å; P267-F271 WeakPolarHBondContact O-CG 3.37Å; P267-F271 PolarHBondContact O-N 2.88Å
268Q92.4Very high92.8Very high3 Ų347.7 Ų47.71%0.01423%0.229CC..Hα-helixtrans-63.5-27.7177-161.375.8-13.700112.9Y179 L182 A183 C265 A266 L270 F271 F272Y179-Q268 VanDerWaalsContact CD1-CD 3.42Å; Y179-Q268 HydrophobicContact CD1-CG 4.09Å; Y179-Q268 WeakPolarHBondContact O-CG 3.23Å; L182-Q268 HydrophobicContact CB-CG 4.13Å; L182-Q268 HydrophobicContact CD2-CG 4.48Å; L182-Q268 HydrophobicContact CG-CG 4.36Å; A183-Q268 HydrophobicContact CB-CB 3.76Å; A183-Q268 HydrophobicContact CB-CG 3.93Å; C265-Q268 WeakPolarHBondContact O-CB 3.17Å; C265-Q268 PolarHBondContact O-N 3.37Å; A266-Q268 PolarHBondContact O-N 2.94Å; Q268-L270 VanDerWaalsContact C-N 3.33Å; Q268-F271 PolarHBondContact O-N 2.93Å; Q268-F272 PolarHBondContact O-N 3.22Å
269F94.5Very high92.6Very high85 Ų8545.2 Ų45.237%0.37322%0.222SC..Hα-helixtrans-65-37.2172-76-74.4000112A183 V184 A266 P267 F271 F272 T273A183-F269 HydrophobicContact CB-CD1 3.88Å; A183-F269 HydrophobicContact CB-CD2 3.78Å; A183-F269 HydrophobicContact CB-CE1 3.8Å; A183-F269 HydrophobicContact CB-CE2 3.7Å; A183-F269 HydrophobicContact CB-CG 3.86Å; A183-F269 HydrophobicContact CB-CZ 3.71Å; V184-F269 HydrophobicContact CG2-CE1 4.2Å; V184-F269 HydrophobicContact CG2-CZ 4.19Å; A266-F269 PolarHBondContact O-N 2.82Å; P267-F269 PolarHBondContact O-N 3.07Å; F269-F271 VanDerWaalsContact C-N 3.33Å; F269-F272 WeakPolarHBondContact O-CB 3.5Å; F269-F272 PolarHBondContact O-N 3.4Å; F269-T273 WeakPolarHBondContact O-CG2 3.41Å; F269-T273 PolarHBondContact O-N 3.22Å; F269-T273 VanDerWaalsContact O-N 3.08Å
270L94.2Very high92.5Very high105 Ų10540.6 Ų40.655%0.5520%0.202SC..Hα-helixtrans-64.4-41.9173.6-172.8101.6000110.4P267 Q268 F272 T273 Y274P267-L270 VanDerWaalsContact O-CB 3.27Å; P267-L270 WeakPolarHBondContact O-CB 3.23Å; P267-L270 PolarHBondContact O-N 2.92Å; Q268-L270 VanDerWaalsContact C-N 3.33Å; L270-F272 VanDerWaalsContact C-N 3.31Å; L270-F272 PolarHBondContact O-N 3.15Å; L270-T273 PolarHBondContact O-N 3.2Å; L270-T273 PolarHBondContact O-OG1 3.06Å; L270-Y274 HydrophobicContact CD2-CD1 4.35Å; L270-Y274 HydrophobicContact CD2-CE1 4.09Å; L270-Y274 HydrophobicContact CG-CD1 4.29Å; L270-Y274 HydrophobicContact CG-CE1 4.44Å; L270-Y274 WeakPolarHBondContact O-CD1 3.46Å; L270-Y274 PolarHBondContact O-N 3.19Å
271F93Very high92.2Very high7 Ų740.4 Ų40.43%0.03120%0.201CC..Hα-helixtrans-66.3-37.3179.2-54-21.3000111.6L26 P27 M30 Y179 P267 Q268 F269 Y274 S275L26-F271 HydrophobicContact CD2-CD1 4.27Å; L26-F271 HydrophobicContact CD2-CE1 3.27Å; L26-F271 HydrophobicContact CD2-CZ 3.61Å; P27-F271 VanDerWaalsContact CA-CE2 3.47Å; P27-F271 HydrophobicContact CB-CD2 3.51Å; P27-F271 HydrophobicContact CB-CE2 3.79Å; P27-F271 HydrophobicContact CB-CG 4.08Å; P27-F271 HydrophobicContact CB-CZ 4.5Å; P27-F271 HydrophobicContact CG-CB 4.09Å; P27-F271 HydrophobicContact CG-CD1 4.09Å; P27-F271 HydrophobicContact CG-CD2 3.64Å; P27-F271 HydrophobicContact CG-CE1 4.43Å; P27-F271 HydrophobicContact CG-CE2 4.08Å; P27-F271 HydrophobicContact CG-CG 3.67Å; P27-F271 HydrophobicContact CG-CZ 4.44Å; M30-F271 HydrophobicContact CB-CE2 4.27Å; M30-F271 HydrophobicContact CG-CE2 3.99Å; M30-F271 HydrophobicContact CG-CZ 4.23Å; Y179-F271 HydrophobicContact CD1-CB 3.64Å; Y179-F271 HydrophobicContact CE1-CB 3.75Å; Y179-F271 HydrophobicContact CE1-CD2 4.29Å; Y179-F271 HydrophobicContact CE1-CG 4.46Å; Y179-F271 HydrophobicContact CG-CB 4.27Å; P267-F271 HydrophobicContact CB-CE2 4.29Å; P267-F271 HydrophobicContact CB-CZ 4.13Å; P267-F271 WeakPolarHBondContact O-CG 3.37Å; P267-F271 PolarHBondContact O-N 2.88Å; Q268-F271 PolarHBondContact O-N 2.93Å; F269-F271 VanDerWaalsContact C-N 3.33Å; F271-Y274 HydrophobicContact CB-CE1 4.3Å; F271-Y274 AromaticContact CD1-CE1 3.41Å; F271-Y274 HydrophobicContact CD1-CE1 3.41Å; F271-Y274 VanDerWaalsContact CD1-CE1 3.41Å; F271-Y274 AromaticContact CD1-CZ 3.65Å; F271-Y274 VanDerWaalsContact CD1-OH 3.23Å; F271-Y274 WeakPolarHBondContact CD1-OH 3.35Å; F271-Y274 HydrophobicContact CE1-CE1 4.2Å; F271-Y274 HydrophobicContact CG-CE1 4.27Å; F271-S275 WeakPolarHBondContact O-CB 3.13Å; F271-S275 PolarHBondContact O-N 3.22Å; F271-S275 PolarHBondContact O-OG 2.91Å
272F94.4Very high91.9Very high35 Ų3540.6 Ų40.615%0.15420%0.202CC..Hα-helixtrans-57.5-51170.2169.5-107.4000111.8I176 L180 Q268 F269 L270 Y274 S275 W276I176-F272 HydrophobicContact CG2-CD2 3.75Å; I176-F272 HydrophobicContact CG2-CE2 3.53Å; L180-F272 HydrophobicContact CB-CD2 3.74Å; L180-F272 HydrophobicContact CB-CE2 3.83Å; L180-F272 HydrophobicContact CB-CG 4.36Å; L180-F272 HydrophobicContact CD1-CD1 4.38Å; L180-F272 HydrophobicContact CD1-CD2 4.46Å; L180-F272 HydrophobicContact CD1-CE1 4.25Å; L180-F272 HydrophobicContact CD1-CE2 4.33Å; L180-F272 HydrophobicContact CD1-CG 4.47Å; L180-F272 HydrophobicContact CD1-CZ 4.22Å; L180-F272 HydrophobicContact CD2-CE2 4.13Å; L180-F272 HydrophobicContact CD2-CZ 4.24Å; L180-F272 HydrophobicContact CG-CE2 4.32Å; Q268-F272 PolarHBondContact O-N 3.22Å; F269-F272 WeakPolarHBondContact O-CB 3.5Å; F269-F272 PolarHBondContact O-N 3.4Å; L270-F272 VanDerWaalsContact C-N 3.31Å; L270-F272 PolarHBondContact O-N 3.15Å; F272-Y274 PolarHBondContact O-N 3.41Å; F272-S275 PolarHBondContact O-N 3.36Å; F272-S275 PolarHBondContact O-OG 3.25Å; F272-W276 HydrophobicContact CD1-CH2 4.31Å; F272-W276 AromaticContact CE1-CH2 3.5Å; F272-W276 HydrophobicContact CE1-CH2 3.5Å; F272-W276 VanDerWaalsContact CE1-CH2 3.5Å; F272-W276 AromaticContact CE1-CZ2 3.87Å; F272-W276 HydrophobicContact CE1-CZ2 3.87Å; F272-W276 HydrophobicContact CE1-CZ3 4.32Å; F272-W276 HydrophobicContact CE2-CZ2 4.07Å; F272-W276 AromaticContact CZ-CH2 3.62Å; F272-W276 HydrophobicContact CZ-CH2 3.62Å; F272-W276 AromaticContact CZ-CZ2 3.45Å; F272-W276 HydrophobicContact CZ-CZ2 3.45Å; F272-W276 VanDerWaalsContact CZ-CZ2 3.45Å
273T92.8Very high91.5Very high75 Ų7538.5 Ų38.546%0.4619%0.189SC..Hα-helixtrans-65.5-42.8-174.756.20000113.4F269 L270 W276F269-T273 WeakPolarHBondContact O-CG2 3.41Å; F269-T273 PolarHBondContact O-N 3.22Å; F269-T273 VanDerWaalsContact O-N 3.08Å; L270-T273 PolarHBondContact O-N 3.2Å; L270-T273 PolarHBondContact O-OG1 3.06Å; T273-W276 HydrophobicContact CG2-CZ3 4.39Å
274Y92.9Very high91.2Very high48 Ų4836.6 Ų36.619%0.18818%0.176CC..Hα-helixtrans-81.1-15.3178.973.5-114.3000113.5L23 P27 L270 F271 F272 W276 W277 Y278L23-Y274 HydrophobicContact CB-CE2 4.3Å; L23-Y274 HydrophobicContact CD2-CD2 4.49Å; L23-Y274 HydrophobicContact CD2-CE2 4.26Å; L23-Y274 PolarHBondContact O-OH 3.05Å; L23-Y274 VanDerWaalsContact O-OH 3.05Å; P27-Y274 WeakPolarHBondContact CD-OH 3.17Å; P27-Y274 VanDerWaalsContact CG-OH 3.27Å; P27-Y274 WeakPolarHBondContact CG-OH 3.45Å; L270-Y274 HydrophobicContact CD2-CD1 4.35Å; L270-Y274 HydrophobicContact CD2-CE1 4.09Å; L270-Y274 HydrophobicContact CG-CD1 4.29Å; L270-Y274 HydrophobicContact CG-CE1 4.44Å; L270-Y274 WeakPolarHBondContact O-CD1 3.46Å; L270-Y274 PolarHBondContact O-N 3.19Å; F271-Y274 HydrophobicContact CB-CE1 4.3Å; F271-Y274 AromaticContact CD1-CE1 3.41Å; F271-Y274 HydrophobicContact CD1-CE1 3.41Å; F271-Y274 VanDerWaalsContact CD1-CE1 3.41Å; F271-Y274 AromaticContact CD1-CZ 3.65Å; F271-Y274 VanDerWaalsContact CD1-OH 3.23Å; F271-Y274 WeakPolarHBondContact CD1-OH 3.35Å; F271-Y274 HydrophobicContact CE1-CE1 4.2Å; F271-Y274 HydrophobicContact CG-CE1 4.27Å; F272-Y274 PolarHBondContact O-N 3.41Å; Y274-W276 PolarHBondContact O-N 3.37Å; Y274-W276 VanDerWaalsContact O-N 3.13Å; Y274-W277 VanDerWaalsContact O-CB 3.23Å; Y274-W277 WeakPolarHBondContact O-CB 3.39Å; Y274-W277 PolarHBondContact O-N 3.25Å; Y274-Y278 HydrophobicContact CD2-CE1 4.46Å; Y274-Y278 HydrophobicContact CE2-CE1 4.31Å; Y274-Y278 AromaticContact CE2-CZ 3.85Å; Y274-Y278 VanDerWaalsContact CE2-OH 3.28Å; Y274-Y278 WeakPolarHBondContact CE2-OH 3.36Å
275S92Very high91Very high0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-63.2-18178.965.30000113.8I176 F271 F272 W277 Y278I176-S275 WeakPolarHBondContact CG1-OG 3.42Å; F271-S275 WeakPolarHBondContact O-CB 3.13Å; F271-S275 PolarHBondContact O-N 3.22Å; F271-S275 PolarHBondContact O-OG 2.91Å; F272-S275 PolarHBondContact O-N 3.36Å; F272-S275 PolarHBondContact O-OG 3.25Å; S275-W277 PolarHBondContact O-N 2.94Å; S275-Y278 VanDerWaalsContact CA-CD2 3.5Å; S275-Y278 VanDerWaalsContact CA-CE2 3.49Å; S275-Y278 WeakPolarHBondContact O-CB 3.36Å; S275-Y278 WeakPolarHBondContact O-CD2 3.45Å; S275-Y278 PolarHBondContact O-N 3.3Å
276W91.1Very high90.7Very high147 Ų14737.3 Ų37.356%0.55718%0.18SC*.THydrogen-bonded Turntrans-60.5-26.9168.7-74.7-51.9000113.7K172 F272 T273 Y274 Y278K172-W276 WeakPolarHBondContact CE-O 3.32Å; K172-W276 PolarHBondContact NZ-O 3.12Å; F272-W276 HydrophobicContact CD1-CH2 4.31Å; F272-W276 AromaticContact CE1-CH2 3.5Å; F272-W276 HydrophobicContact CE1-CH2 3.5Å; F272-W276 VanDerWaalsContact CE1-CH2 3.5Å; F272-W276 AromaticContact CE1-CZ2 3.87Å; F272-W276 HydrophobicContact CE1-CZ2 3.87Å; F272-W276 HydrophobicContact CE1-CZ3 4.32Å; F272-W276 HydrophobicContact CE2-CZ2 4.07Å; F272-W276 AromaticContact CZ-CH2 3.62Å; F272-W276 HydrophobicContact CZ-CH2 3.62Å; F272-W276 AromaticContact CZ-CZ2 3.45Å; F272-W276 HydrophobicContact CZ-CZ2 3.45Å; F272-W276 VanDerWaalsContact CZ-CZ2 3.45Å; T273-W276 HydrophobicContact CG2-CZ3 4.39Å; Y274-W276 PolarHBondContact O-N 3.37Å; Y274-W276 VanDerWaalsContact O-N 3.13Å; W276-Y278 VanDerWaalsContact C-N 3.28Å; W276-Y278 PolarHBondContact O-N 3.49Å
277W92.1Very high90.3Very high91 Ų9138.3 Ų38.335%0.34518%0.18SC..THydrogen-bonded Turntrans-67.8-27.1178.918087.8000113.2Y16 I19 L23 Y274 S275 R300Y16-W277 HydrophobicContact CD2-CH2 4.07Å; Y16-W277 AromaticContact CE2-CH2 3.78Å; Y16-W277 HydrophobicContact CE2-CH2 3.78Å; Y16-W277 HydrophobicContact CE2-CZ2 4.34Å; Y16-W277 HydrophobicContact CE2-CZ3 4.31Å; I19-W277 HydrophobicContact CG2-CH2 3.68Å; I19-W277 HydrophobicContact CG2-CZ2 4.38Å; I19-W277 HydrophobicContact CG2-CZ3 4.12Å; L23-W277 HydrophobicContact CD1-CE3 3.82Å; L23-W277 HydrophobicContact CD1-CH2 4.4Å; L23-W277 HydrophobicContact CD1-CZ3 3.68Å; Y274-W277 VanDerWaalsContact O-CB 3.23Å; Y274-W277 WeakPolarHBondContact O-CB 3.39Å; Y274-W277 PolarHBondContact O-N 3.25Å; S275-W277 PolarHBondContact O-N 2.94Å; W277-R300 VanDerWaalsContact NE1-NH2 3.11Å; W277-R300 PolarHBondContact O-NH1 2.98Å; W277-R300 PolarHBondContact O-NH2 2.92Å
278Y90.6Very high89.9Confident0 Ų039.6 Ų39.60%018%0.184CC..SBendtrans-56143.8-177.3-60.7-37.5000111.8L23 I24 K172 L175 Y179 L219 Y274 S275 W276L23-Y278 HydrophobicContact CB-CE1 3.93Å; L23-Y278 PolarHBondContact O-OH 3.23Å; I24-Y278 HydrophobicContact CD1-CE1 4.42Å; I24-Y278 HydrophobicContact CG1-CD1 4.34Å; I24-Y278 HydrophobicContact CG1-CE1 3.69Å; I24-Y278 HydrophobicContact CG1-CE2 4.25Å; K172-Y278 VanDerWaalsContact CD-O 3.29Å; K172-Y278 WeakPolarHBondContact CD-O 3.29Å; K172-Y278 WeakPolarHBondContact CE-O 3.42Å; K172-Y278 PolarHBondContact NZ-O 3.35Å; L175-Y278 HydrophobicContact CD2-CD2 4.21Å; L175-Y278 HydrophobicContact CD2-CE2 3.99Å; Y179-Y278 HydrophobicContact CE2-CE2 4.44Å; L219-Y278 HydrophobicContact CD2-CG 4.49Å; Y274-Y278 HydrophobicContact CD2-CE1 4.46Å; Y274-Y278 HydrophobicContact CE2-CE1 4.31Å; Y274-Y278 AromaticContact CE2-CZ 3.85Å; Y274-Y278 VanDerWaalsContact CE2-OH 3.28Å; Y274-Y278 WeakPolarHBondContact CE2-OH 3.36Å; S275-Y278 VanDerWaalsContact CA-CD2 3.5Å; S275-Y278 VanDerWaalsContact CA-CE2 3.49Å; S275-Y278 WeakPolarHBondContact O-CB 3.36Å; S275-Y278 WeakPolarHBondContact O-CD2 3.45Å; S275-Y278 PolarHBondContact O-N 3.3Å; W276-Y278 VanDerWaalsContact C-N 3.28Å; W276-Y278 PolarHBondContact O-N 3.49Å
279A89.3Confident89.6Confident9 Ų950.1 Ų50.17%0.07422%0.224CC..PPolyproline II helixtrans-82.8138.6166.200000108.3Y16 W223Y16-A279 WeakPolarHBondContact OH-CB 3.41Å; W223-A279 HydrophobicContact CH2-CB 4.36Å; W223-A279 HydrophobicContact CZ2-CB 3.54Å; W223-A279 PolarHBondContact NE1-O 3.47Å
280E92.2Very high89.2Confident26 Ų2652.2 Ų52.212%0.12123%0.229CC..PPolyproline II helixtrans-64158.3168.9-173.859.8-88.600109.6G170 R171 K172 W223 A282 W284 L285G170-E280 WeakPolarHBondContact CA-OE2 3.36Å; R171-E280 PolarHBondContact N-OE1 3.32Å; R171-E280 PolarHBondContact N-OE2 2.91Å; K172-E280 HydrophobicContact CB-CB 4.34Å; K172-E280 VanDerWaalsContact CB-OE2 3.22Å; K172-E280 WeakPolarHBondContact CB-OE2 3.01Å; K172-E280 PolarHBondContact N-OE1 3.02Å; K172-E280 PolarHBondContact N-OE2 3.46Å; K172-E280 VanDerWaalsContact N-OE2 3.11Å; W223-E280 VanDerWaalsContact CZ2-O 3.25Å; W223-E280 WeakPolarHBondContact CZ2-O 3.31Å; W223-E280 PolarHBondContact NE1-O 3.42Å; E280-A282 PolarHBondContact O-N 3.43Å; E280-W284 HydrophobicContact CG-CE3 3.69Å; E280-W284 HydrophobicContact CG-CZ3 3.92Å; E280-L285 HydrophobicContact CB-CD1 4.18Å; E280-L285 HydrophobicContact CB-CG 4.44Å; E280-L285 HydrophobicContact CG-CD1 4.41Å; E280-L285 HydrophobicContact CG-CD2 4.26Å; E280-L285 HydrophobicContact CG-CG 4.13Å
281S88.2Confident88.9Confident0 Ų047.7 Ų47.70%021%0.206CC..PPolyproline II helixtrans-58.8119.4177.9175.40000112.6E222 R283 W284 L285E222-S281 WeakPolarHBondContact OE2-CB 2.99Å; E222-S281 PolarHBondContact OE2-OG 2.95Å; S281-R283 PolarHBondContact O-N 3.18Å; S281-R283 PolarHBondContact OG-N 2.98Å; S281-W284 PolarHBondContact O-N 2.89Å; S281-W284 PolarHBondContact OG-N 2.9Å; S281-L285 VanDerWaalsContact O-CG 3.32Å; S281-L285 WeakPolarHBondContact O-CG 3.39Å; S281-L285 PolarHBondContact O-N 3.45Å
282A86.1Confident88.7Confident3 Ų353.5 Ų53.53%0.02523%0.234CC..Hα-helixtrans-61.3-35.4175.400000111.9F3 W223 E280 V286 A294 L298F3-A282 HydrophobicContact CE2-CB 4.15Å; F3-A282 HydrophobicContact CZ-CB 3.77Å; W223-A282 HydrophobicContact CH2-CB 3.97Å; W223-A282 HydrophobicContact CZ2-CB 4.11Å; E280-A282 PolarHBondContact O-N 3.43Å; A282-V286 WeakPolarHBondContact O-CG2 3.5Å; A282-V286 PolarHBondContact O-N 3.44Å; A282-A294 HydrophobicContact CB-CB 4.48Å; A282-L298 HydrophobicContact CB-CD2 4.49Å; A282-L298 HydrophobicContact CB-CG 4.33Å
283R84.4Confident88.4Confident38 Ų3856.3 Ų56.314%0.14325%0.247CC..Hα-helixtrans-62.7-50.6174.4-89.6-176.1154.8120.3-9.4111.9F3 S281 L285 V286 L287 M323 E326F3-R283 HydrophobicContact CD1-CG 3.73Å; F3-R283 VanDerWaalsContact CD1-NH1 3.33Å; F3-R283 HydrophobicContact CD2-CG 4.02Å; F3-R283 HydrophobicContact CE1-CG 3.82Å; F3-R283 HydrophobicContact CE2-CG 4.13Å; F3-R283 HydrophobicContact CG-CG 3.82Å; F3-R283 HydrophobicContact CZ-CG 4.04Å; S281-R283 PolarHBondContact O-N 3.18Å; S281-R283 PolarHBondContact OG-N 2.98Å; R283-L285 VanDerWaalsContact C-N 3.32Å; R283-L285 PolarHBondContact O-N 3.23Å; R283-V286 PolarHBondContact O-N 3.05Å; R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 2.83Å; R283-L287 VanDerWaalsContact O-N 3.08Å; R283-M323 HydrophobicContact CB-CE 4.24Å; R283-M323 HydrophobicContact CG-CE 3.97Å; R283-M323 HydrophobicContact CG-SD 4.5Å; R283-E326 IonicContact CZ-OE1 2.88Å; R283-E326 IonicContact CZ-OE2 2.68Å; R283-E326 IonicContact NE-OE1 3.8Å; R283-E326 PolarHBondContact NE-OE1 3.37Å; R283-E326 IonicContact NE-OE2 3.82Å; R283-E326 PolarHBondContact NE-OE2 2.96Å; R283-E326 IonicContact NH2-OE1 2.73Å; R283-E326 PolarHBondContact NH2-OE1 3.3Å; R283-E326 IonicContact NH2-OE2 2.89Å
284W87.3Confident88.1Confident13 Ų1352.7 Ų52.75%0.04923%0.225CC..Hα-helixtrans-61.3-41.3179.7179.177.5000112.3D167 F169 G170 R171 E280 S281 V286 L287 N288D167-W284 PolarHBondContact O-NE1 3.35Å; F169-W284 VanDerWaalsContact C-CZ2 3.43Å; G170-W284 VanDerWaalsContact CA-CE2 3.4Å; R171-W284 VanDerWaalsContact CZ-CD1 3.43Å; E280-W284 HydrophobicContact CG-CE3 3.69Å; E280-W284 HydrophobicContact CG-CZ3 3.92Å; S281-W284 PolarHBondContact O-N 2.89Å; S281-W284 PolarHBondContact OG-N 2.9Å; W284-V286 VanDerWaalsContact C-N 3.34Å; W284-V286 PolarHBondContact O-N 3.32Å; W284-L287 PolarHBondContact O-N 2.98Å; W284-N288 WeakPolarHBondContact CZ2-ND2 3.14Å; W284-N288 PolarHBondContact NE1-ND2 2.86Å; W284-N288 VanDerWaalsContact NE1-ND2 3.11Å; W284-N288 WeakPolarHBondContact O-CB 3.36Å; W284-N288 PolarHBondContact O-N 3.44Å
285L87.4Confident88Confident10 Ų1051.6 Ų51.65%0.05222%0.222CC..Hα-helixtrans-60.1-42.3178-74.7170.5000112.1E280 S281 R283 N288 R289 R290 E293 A294E280-L285 HydrophobicContact CB-CD1 4.18Å; E280-L285 HydrophobicContact CB-CG 4.44Å; E280-L285 HydrophobicContact CG-CD1 4.41Å; E280-L285 HydrophobicContact CG-CD2 4.26Å; E280-L285 HydrophobicContact CG-CG 4.13Å; S281-L285 VanDerWaalsContact O-CG 3.32Å; S281-L285 WeakPolarHBondContact O-CG 3.39Å; S281-L285 PolarHBondContact O-N 3.45Å; R283-L285 VanDerWaalsContact C-N 3.32Å; R283-L285 PolarHBondContact O-N 3.23Å; L285-N288 PolarHBondContact O-N 3.36Å; L285-R289 PolarHBondContact O-N 2.99Å; L285-R290 HydrophobicContact CB-CB 4.48Å; L285-R290 HydrophobicContact CD2-CB 4.01Å; L285-R290 CarbonylContact O-C 3.56Å; L285-R290 VanDerWaalsContact O-CA 3.32Å; L285-R290 WeakPolarHBondContact O-CA 3.34Å; L285-R290 WeakPolarHBondContact O-CB 3.27Å; L285-R290 PolarHBondContact O-N 3.42Å; L285-E293 HydrophobicContact CD1-CB 4.15Å; L285-E293 HydrophobicContact CD2-CB 4.14Å; L285-E293 WeakPolarHBondContact CD2-OE2 3.32Å; L285-A294 HydrophobicContact CB-CB 3.7Å; L285-A294 HydrophobicContact CD1-CB 4.28Å
286V85.8Confident87.9Confident5 Ų558.1 Ų58.13%0.0325%0.25CS..Hα-helixtrans-66.1-45176.2174.60000111.3A282 R283 W284 N288 R289 A294 L319 M323 I327A282-V286 WeakPolarHBondContact O-CG2 3.5Å; A282-V286 PolarHBondContact O-N 3.44Å; R283-V286 PolarHBondContact O-N 3.05Å; W284-V286 VanDerWaalsContact C-N 3.34Å; W284-V286 PolarHBondContact O-N 3.32Å; V286-N288 VanDerWaalsContact C-N 3.27Å; V286-N288 PolarHBondContact O-N 2.87Å; V286-R289 PolarHBondContact O-N 3.15Å; V286-R289 VanDerWaalsContact O-N 3.13Å; V286-A294 HydrophobicContact CG2-CB 3.65Å; V286-L319 HydrophobicContact CG2-CD1 4.21Å; V286-L319 HydrophobicContact CG2-CD2 3.64Å; V286-L319 HydrophobicContact CG2-CG 3.89Å; V286-M323 HydrophobicContact CB-CE 3.8Å; V286-M323 HydrophobicContact CB-SD 3.56Å; V286-M323 VanDerWaalsContact CB-SD 3.56Å; V286-M323 HydrophobicContact CG1-CB 4.15Å; V286-M323 HydrophobicContact CG1-CE 3.86Å; V286-M323 HydrophobicContact CG1-CG 4.45Å; V286-M323 HydrophobicContact CG1-SD 3.61Å; V286-M323 HydrophobicContact CG2-SD 3.64Å; V286-I327 HydrophobicContact CG1-CD1 4Å; V286-I327 HydrophobicContact CG1-CG1 4.42Å
287L82.9Confident87.8Confident62 Ų6251.8 Ų51.833%0.32523%0.231SC..Hα-helixtrans-62.6-33.8178.8-68.5174.3000112.6R283 W284 R289 M323 I327R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 2.83Å; R283-L287 VanDerWaalsContact O-N 3.08Å; W284-L287 PolarHBondContact O-N 2.98Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 3.3Å; L287-M323 HydrophobicContact CG-CE 4.36Å; L287-I327 HydrophobicContact CD2-CG1 4.17Å
288N84.5Confident87.6Confident69 Ų6947.4 Ų47.437%0.36921%0.214SC..THydrogen-bonded Turntrans-88.822.1176.5-84-5.7000114.4W284 L285 V286 R290W284-N288 WeakPolarHBondContact CZ2-ND2 3.14Å; W284-N288 PolarHBondContact NE1-ND2 2.86Å; W284-N288 VanDerWaalsContact NE1-ND2 3.11Å; W284-N288 WeakPolarHBondContact O-CB 3.36Å; W284-N288 PolarHBondContact O-N 3.44Å; L285-N288 PolarHBondContact O-N 3.36Å; V286-N288 VanDerWaalsContact C-N 3.27Å; V286-N288 PolarHBondContact O-N 2.87Å; N288-R290 PolarHBondContact O-N 3.03Å
289R85.3Confident87.5Confident225 Ų22549.5 Ų49.585%0.84922%0.224SC*.THydrogen-bonded Turntrans61.322.4176.6-52.1-177.6178-173.3-1.8114.5L285 V286 L287L285-R289 PolarHBondContact O-N 2.99Å; V286-R289 PolarHBondContact O-N 3.15Å; V286-R289 VanDerWaalsContact O-N 3.13Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 3.3Å
290R87.6Confident87.5Confident128 Ų12853 Ų5348%0.48324%0.235SC..  trans-105.647.8174.2-60.8-173.3-174.1-173.81.6111.2L285 N288 E292 E293 A294L285-R290 HydrophobicContact CB-CB 4.48Å; L285-R290 HydrophobicContact CD2-CB 4.01Å; L285-R290 CarbonylContact O-C 3.56Å; L285-R290 VanDerWaalsContact O-CA 3.32Å; L285-R290 WeakPolarHBondContact O-CA 3.34Å; L285-R290 WeakPolarHBondContact O-CB 3.27Å; L285-R290 PolarHBondContact O-N 3.42Å; N288-R290 PolarHBondContact O-N 3.03Å; R290-E292 PolarHBondContact O-N 3.29Å; R290-E293 HydrophobicContact CB-CB 4.44Å; R290-E293 PolarHBondContact O-N 3.43Å; R290-E293 VanDerWaalsContact O-N 3.17Å; R290-A294 PolarHBondContact O-N 2.86Å
291S87.1Confident87.4Confident11 Ų1151.8 Ų51.88%0.07723%0.23CC..Hα-helixtrans-60.6-31.1-175-51.40000113.4A294 L295 H320S291-A294 WeakPolarHBondContact O-CB 3.11Å; S291-A294 PolarHBondContact O-N 3.37Å; S291-L295 PolarHBondContact O-N 3.04Å; S291-H320 PolarHBondContact OG-CE1 3.16Å; S291-H320 PolarHBondContact OG-NE2 3.42Å
292E88.2Confident87.4Confident129 Ų12951.8 Ų51.860%0.60323%0.23SC*.Hα-helixtrans-65.7-40.6176.5-66.7-173.1-173.800113.1R290 A294 L295 K296 L316R290-E292 PolarHBondContact O-N 3.29Å; E292-A294 VanDerWaalsContact C-N 3.33Å; E292-L295 PolarHBondContact O-N 3.47Å; E292-K296 WeakPolarHBondContact O-CG 3.37Å; E292-K296 PolarHBondContact O-N 2.84Å; E292-L316 HydrophobicContact CG-CD1 4.24Å
293E88.3Confident87.6Confident93 Ų9359.6 Ų59.644%0.43526%0.259SS..Hα-helixtrans-66.9-39.1175.8-68.7-179.2-169.500110.6L285 R290 L295 K296 G297L285-E293 HydrophobicContact CD1-CB 4.15Å; L285-E293 HydrophobicContact CD2-CB 4.14Å; L285-E293 WeakPolarHBondContact CD2-OE2 3.32Å; R290-E293 HydrophobicContact CB-CB 4.44Å; R290-E293 PolarHBondContact O-N 3.43Å; R290-E293 VanDerWaalsContact O-N 3.17Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-L295 PolarHBondContact O-N 3.02Å; E293-K296 PolarHBondContact O-N 3.43Å; E293-G297 PolarHBondContact O-N 3.27Å
294A87.6Confident87.8Confident0 Ų060.4 Ų60.40%027%0.265CS..Hα-helixtrans-59.5-45.4174.600000111.2A282 L285 V286 R290 S291 E292 G297 L298 L319A282-A294 HydrophobicContact CB-CB 4.48Å; L285-A294 HydrophobicContact CB-CB 3.7Å; L285-A294 HydrophobicContact CD1-CB 4.28Å; V286-A294 HydrophobicContact CG2-CB 3.65Å; R290-A294 PolarHBondContact O-N 2.86Å; S291-A294 WeakPolarHBondContact O-CB 3.11Å; S291-A294 PolarHBondContact O-N 3.37Å; E292-A294 VanDerWaalsContact C-N 3.33Å; A294-G297 PolarHBondContact O-N 3.43Å; A294-L298 WeakPolarHBondContact O-CG 3.21Å; A294-L298 PolarHBondContact O-N 3.13Å; A294-L319 HydrophobicContact CB-CD2 4.05Å
295L89.4Confident88Confident24 Ų2460.7 Ų60.713%0.12627%0.267CS..Hα-helixtrans-63.7-44.4178.1-170.968000111.8S291 E292 E293 G297 L298 H299 L314 L316S291-L295 PolarHBondContact O-N 3.04Å; E292-L295 PolarHBondContact O-N 3.47Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-L295 PolarHBondContact O-N 3.02Å; L295-G297 VanDerWaalsContact C-N 3.27Å; L295-G297 PolarHBondContact O-N 3.24Å; L295-L298 PolarHBondContact O-N 2.81Å; L295-H299 VanDerWaalsContact O-CG 3.3Å; L295-H299 PolarHBondContact O-N 3.4Å; L295-L314 HydrophobicContact CD1-CB 4.13Å; L295-L314 HydrophobicContact CD1-CD2 4.36Å; L295-L316 HydrophobicContact CB-CD2 4.34Å; L295-L316 HydrophobicContact CD2-CD2 4.22Å; L295-L316 HydrophobicContact CD2-CG 4.07Å
296K90.1Very high88Confident137 Ų13768.5 Ų68.560%0.59630%0.296SS*.Hα-helixtrans-57.9-40.6173.4-73170.9-174.7168.70111.6E292 E293 H299 R300E292-K296 WeakPolarHBondContact O-CG 3.37Å; E292-K296 PolarHBondContact O-N 2.84Å; E293-K296 PolarHBondContact O-N 3.43Å; K296-H299 PolarHBondContact O-N 3.26Å; K296-R300 PolarHBondContact O-N 2.96Å
297G88.6Confident88Confident14 Ų1474.8 Ų74.814%0.14432%0.319CS..Hα-helixtrans-60.1-51173.800000112.2E293 A294 L295 H299 R300 V301E293-G297 PolarHBondContact O-N 3.27Å; A294-G297 PolarHBondContact O-N 3.43Å; L295-G297 VanDerWaalsContact C-N 3.27Å; L295-G297 PolarHBondContact O-N 3.24Å; G297-H299 VanDerWaalsContact C-N 3.35Å; G297-H299 PolarHBondContact O-N 3.23Å; G297-R300 WeakPolarHBondContact O-CB 3.44Å; G297-R300 PolarHBondContact O-N 3.22Å; G297-R300 VanDerWaalsContact O-N 3.14Å; G297-V301 WeakPolarHBondContact O-CG2 3.2Å; G297-V301 PolarHBondContact O-N 3.48Å
298L88.5Confident87.8Confident0 Ų075.6 Ų75.60%033%0.328CS..Hα-helixtrans-60.8-40.8177.6-72.5162.9000112.2L6 V10 W223 A282 A294 L295 R300 V301 A302 L314 L319L6-L298 HydrophobicContact CD2-CD1 3.71Å; L6-L298 HydrophobicContact CD2-CD2 3.63Å; L6-L298 HydrophobicContact CD2-CG 4.29Å; V10-L298 HydrophobicContact CG2-CD2 4.38Å; W223-L298 HydrophobicContact CZ3-CD2 4.14Å; A282-L298 HydrophobicContact CB-CD2 4.49Å; A282-L298 HydrophobicContact CB-CG 4.33Å; A294-L298 WeakPolarHBondContact O-CG 3.21Å; A294-L298 PolarHBondContact O-N 3.13Å; L295-L298 PolarHBondContact O-N 2.81Å; L298-R300 VanDerWaalsContact C-N 3.35Å; L298-R300 PolarHBondContact O-N 2.82Å; L298-V301 PolarHBondContact O-N 3.3Å; L298-A302 WeakPolarHBondContact O-CB 3.41Å; L298-A302 PolarHBondContact O-N 3.49Å; L298-L314 HydrophobicContact CD1-CD2 4.36Å; L298-L319 HydrophobicContact CD1-CD1 3.76Å; L298-L319 HydrophobicContact CD1-CD2 4.28Å
299H89.5Confident87.5Confident43 Ų4379.1 Ų79.120%0.19934%0.343CS..Hα-helixtrans-63-38.7174.1-69.9179000112.6L295 K296 G297 V301 R303 I311 L314L295-H299 VanDerWaalsContact O-CG 3.3Å; L295-H299 PolarHBondContact O-N 3.4Å; K296-H299 PolarHBondContact O-N 3.26Å; G297-H299 VanDerWaalsContact C-N 3.35Å; G297-H299 PolarHBondContact O-N 3.23Å; H299-V301 VanDerWaalsContact C-N 3.35Å; H299-R303 WeakPolarHBondContact O-CG 3.29Å; H299-R303 PolarHBondContact O-N 2.74Å; H299-I311 HydrophobicContact CB-CG2 4.44Å; H299-I311 PolarHBondContact NE2-O 3.5Å; H299-L314 PolarHBondContact NE2-O 3.12Å
300R89.4Confident87.2Confident82 Ų8269.4 Ų69.431%0.30931%0.308SS..Hα-helixtrans-62.3-43.5173.5-177.2179.7176.6-159.4-5.6110.9W277 K296 G297 L298 R303 I304W277-R300 VanDerWaalsContact NE1-NH2 3.11Å; W277-R300 PolarHBondContact O-NH1 2.98Å; W277-R300 PolarHBondContact O-NH2 2.92Å; K296-R300 PolarHBondContact O-N 2.96Å; G297-R300 WeakPolarHBondContact O-CB 3.44Å; G297-R300 PolarHBondContact O-N 3.22Å; G297-R300 VanDerWaalsContact O-N 3.14Å; L298-R300 VanDerWaalsContact C-N 3.35Å; L298-R300 PolarHBondContact O-N 2.82Å; R300-R303 PolarHBondContact O-N 3.45Å; R300-I304 HydrophobicContact CG-CD1 4.08Å; R300-I304 WeakPolarHBondContact O-CG1 3.43Å; R300-I304 PolarHBondContact O-N 2.94Å; R300-I304 VanDerWaalsContact O-N 3.12Å
301V89.6Confident86.9Confident1 Ų164.9 Ų64.91%0.00629%0.294CS..Hα-helixtrans-65.7-45177.7177.40000111.6V10 Y16 W223 G297 L298 H299 R303 I304 N305V10-V301 HydrophobicContact CG1-CB 4.05Å; V10-V301 HydrophobicContact CG1-CG1 3.75Å; Y16-V301 HydrophobicContact CD1-CB 4.16Å; Y16-V301 HydrophobicContact CD1-CG1 3.6Å; Y16-V301 HydrophobicContact CD1-CG2 3.5Å; Y16-V301 VanDerWaalsContact CD1-CG2 3.5Å; Y16-V301 HydrophobicContact CD2-CG2 4.15Å; Y16-V301 HydrophobicContact CE1-CG1 4.35Å; Y16-V301 HydrophobicContact CE1-CG2 3.46Å; Y16-V301 VanDerWaalsContact CE1-CG2 3.46Å; Y16-V301 HydrophobicContact CE2-CG2 4.11Å; Y16-V301 HydrophobicContact CG-CB 4.32Å; Y16-V301 HydrophobicContact CG-CG1 3.88Å; Y16-V301 HydrophobicContact CG-CG2 3.85Å; W223-V301 HydrophobicContact CE3-CG2 4.03Å; W223-V301 HydrophobicContact CH2-CG2 3.76Å; W223-V301 HydrophobicContact CZ3-CB 4.18Å; W223-V301 HydrophobicContact CZ3-CG1 4.48Å; W223-V301 HydrophobicContact CZ3-CG2 3.4Å; G297-V301 WeakPolarHBondContact O-CG2 3.2Å; G297-V301 PolarHBondContact O-N 3.48Å; L298-V301 PolarHBondContact O-N 3.3Å; H299-V301 VanDerWaalsContact C-N 3.35Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 3.22Å; V301-I304 PolarHBondContact O-N 3.27Å; V301-N305 WeakPolarHBondContact O-CB 3.45Å; V301-N305 PolarHBondContact O-N 2.87Å
302A88.3Confident86.4Confident0 Ų071.2 Ų71.20%033%0.326CS..Hα-helixtrans-57.4-41.8176.300000112.1V10 L298 N305 R306 R307 I311V10-A302 HydrophobicContact CG1-CB 3.97Å; L298-A302 WeakPolarHBondContact O-CB 3.41Å; L298-A302 PolarHBondContact O-N 3.49Å; A302-N305 CarbonylContact O-C 3.47Å; A302-N305 PolarHBondContact O-N 3.35Å; A302-R306 PolarHBondContact O-N 3.44Å; A302-R306 VanDerWaalsContact O-N 3.17Å; A302-R307 PolarHBondContact O-N 3.22Å; A302-I311 HydrophobicContact CB-CD1 4.32Å; A302-I311 HydrophobicContact CB-CG1 3.79Å
303R89.3Confident86Confident168 Ų16872.4 Ų72.463%0.63433%0.329SS*.Hα-helixtrans-62.3-47.8174.9-76.3-172.2-73167.2-4.8112.4H299 R300 V301 N305 R306 I311H299-R303 WeakPolarHBondContact O-CG 3.29Å; H299-R303 PolarHBondContact O-N 2.74Å; R300-R303 PolarHBondContact O-N 3.45Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 3.22Å; R303-N305 VanDerWaalsContact C-N 3.26Å; R303-N305 PolarHBondContact O-N 3.46Å; R303-R306 PolarHBondContact O-N 3.28Å; R303-I311 HydrophobicContact CG-CD1 3.57Å
304I89.9Confident85.6Confident55 Ų5568.2 Ų68.228%0.28231%0.31SS..Hα-helixtrans-64.8-34.7179.6-65.3167.9000111.1Y16 R300 V301 R306Y16-I304 HydrophobicContact CD2-CD1 3.7Å; Y16-I304 HydrophobicContact CD2-CG2 4.41Å; Y16-I304 HydrophobicContact CE2-CD1 4.3Å; R300-I304 HydrophobicContact CG-CD1 4.08Å; R300-I304 WeakPolarHBondContact O-CG1 3.43Å; R300-I304 PolarHBondContact O-N 2.94Å; R300-I304 VanDerWaalsContact O-N 3.12Å; V301-I304 PolarHBondContact O-N 3.27Å; I304-R306 PolarHBondContact O-N 3.08Å
305N90.3Very high85.4Confident18 Ų1871 Ų7110%0.09633%0.328CS..THydrogen-bonded Turntrans-79.43.7175.2-74.1-13.1000114V10 R15 Y16 Q17 V301 A302 R303 R307V10-N305 PolarHBondContact O-ND2 3.22Å; R15-N305 PolarHBondContact N-OD1 3.27Å; Y16-N305 PolarHBondContact N-OD1 3.42Å; Q17-N305 PolarHBondContact OE1-ND2 3.39Å; Q17-N305 PolarHBondContact OE1-OD1 3.2Å; V301-N305 WeakPolarHBondContact O-CB 3.45Å; V301-N305 PolarHBondContact O-N 2.87Å; A302-N305 CarbonylContact O-C 3.47Å; A302-N305 PolarHBondContact O-N 3.35Å; R303-N305 VanDerWaalsContact C-N 3.26Å; R303-N305 PolarHBondContact O-N 3.46Å; N305-R307 VanDerWaalsContact C-N 3.33Å; N305-R307 PolarHBondContact O-N 3Å
306R88Confident85Confident175 Ų17573 Ų7366%0.6634%0.338SS*.THydrogen-bonded Turntrans57.240.2-179.6-58.1-176.5173.3-176.8-4.6113.5R15 A302 R303 I304 P308R15-R306 VanDerWaalsContact NH1-NH2 3.15Å; A302-R306 PolarHBondContact O-N 3.44Å; A302-R306 VanDerWaalsContact O-N 3.17Å; R303-R306 PolarHBondContact O-N 3.28Å; I304-R306 PolarHBondContact O-N 3.08Å; R306-P308 WeakPolarHBondContact O-CD 3.44Å
307R84.8Confident84.6Confident136 Ų13674 Ų7451%0.51335%0.345SS..  trans-120.464.3176.3-68.5-69.7-169.4168.72.5111.4A302 N305 E309 V310A302-R307 PolarHBondContact O-N 3.22Å; N305-R307 VanDerWaalsContact C-N 3.33Å; N305-R307 PolarHBondContact O-N 3Å; R307-E309 VanDerWaalsContact C-N 3.27Å; R307-E309 PolarHBondContact O-N 3.34Å; R307-V310 HydrophobicContact CB-CG2 4.12Å; R307-V310 PolarHBondContact O-N 2.97Å
308P79.2Confident84.2Confident79 Ų7975.4 Ų75.451%0.51335%0.35SS..G310 helixtrans-67.9-26.9-177.429.3-35000113R306 V310 I311R306-P308 WeakPolarHBondContact O-CD 3.44Å; P308-V310 PolarHBondContact O-N 3.09Å; P308-I311 HydrophobicContact CB-CD1 4.36Å; P308-I311 VanDerWaalsContact O-CB 3.25Å; P308-I311 WeakPolarHBondContact O-CB 3.25Å; P308-I311 WeakPolarHBondContact O-CG1 3.19Å; P308-I311 PolarHBondContact O-N 3.41Å; P308-I311 VanDerWaalsContact O-N 3.08Å
309E78.6Confident83.8Confident143 Ų14375.4 Ų75.467%0.66835%0.35SS*.G310 helixtrans-60.5-28.7179.9-61.9170.4-159.400113.4R307 I311R307-E309 VanDerWaalsContact C-N 3.27Å; R307-E309 PolarHBondContact O-N 3.34Å; E309-I311 VanDerWaalsContact C-N 3.34Å
310V79.3Confident83.4Confident22 Ų2277.1 Ų77.113%0.13336%0.358CS..G310 helixtrans-80.3-21.5-178.4-1670000110.8Q9 R307 P308 N312 K313 L314Q9-V310 HydrophobicContact CB-CG1 4.2Å; Q9-V310 WeakPolarHBondContact O-CG2 3.45Å; R307-V310 HydrophobicContact CB-CG2 4.12Å; R307-V310 PolarHBondContact O-N 2.97Å; P308-V310 PolarHBondContact O-N 3.09Å; V310-N312 VanDerWaalsContact C-N 3.33Å; V310-N312 PolarHBondContact O-N 2.92Å; V310-K313 PolarHBondContact O-N 3.16Å; V310-K313 VanDerWaalsContact O-N 3.12Å; V310-L314 HydrophobicContact CG1-CD1 3.67Å; V310-L314 HydrophobicContact CG1-CG 4.42Å; V310-L314 WeakPolarHBondContact O-CB 3.47Å; V310-L314 PolarHBondContact O-N 3.47Å
311I80.1Confident83Confident33 Ų3376.5 Ų76.517%0.16937%0.366CS..THydrogen-bonded Turntrans-61.5-42.2179.1-60.3175.1000110.7H299 A302 R303 P308 E309 K313 L314H299-I311 HydrophobicContact CB-CG2 4.44Å; H299-I311 PolarHBondContact NE2-O 3.5Å; A302-I311 HydrophobicContact CB-CD1 4.32Å; A302-I311 HydrophobicContact CB-CG1 3.79Å; R303-I311 HydrophobicContact CG-CD1 3.57Å; P308-I311 HydrophobicContact CB-CD1 4.36Å; P308-I311 VanDerWaalsContact O-CB 3.25Å; P308-I311 WeakPolarHBondContact O-CB 3.25Å; P308-I311 WeakPolarHBondContact O-CG1 3.19Å; P308-I311 PolarHBondContact O-N 3.41Å; P308-I311 VanDerWaalsContact O-N 3.08Å; E309-I311 VanDerWaalsContact C-N 3.34Å; I311-K313 VanDerWaalsContact C-N 3.26Å; I311-K313 PolarHBondContact O-N 3Å; I311-L314 PolarHBondContact O-N 3.04Å
312N76.9Confident82.5Confident143 Ų14377.3 Ų77.377%0.76537%0.37SS*.THydrogen-bonded Turntrans-72.2-21.8179.4-65.9-11.4000112.7V310V310-N312 VanDerWaalsContact C-N 3.33Å; V310-N312 PolarHBondContact O-N 2.92Å
313K79.2Confident82.1Confident154 Ų15477.3 Ų77.367%0.6737%0.37SS*.THydrogen-bonded Turntrans-89.3-22.7178.1-63.1-178.2-179.2179.50112.5V310 I311 T315V310-K313 PolarHBondContact O-N 3.16Å; V310-K313 VanDerWaalsContact O-N 3.12Å; I311-K313 VanDerWaalsContact C-N 3.26Å; I311-K313 PolarHBondContact O-N 3Å; K313-T315 PolarHBondContact O-N 3.04Å
314L80Confident81.4Confident5 Ų571.6 Ų71.63%0.02636%0.356CS..  trans-80.694.9175.2-94.5148.7000109.8L6 V10 L295 L298 H299 V310 I311L6-L314 HydrophobicContact CD1-CD2 3.84Å; L6-L314 HydrophobicContact CD2-CD2 3.99Å; L6-L314 HydrophobicContact CG-CD2 3.97Å; V10-L314 HydrophobicContact CG2-CD1 3.42Å; V10-L314 VanDerWaalsContact CG2-CD1 3.42Å; L295-L314 HydrophobicContact CD1-CB 4.13Å; L295-L314 HydrophobicContact CD1-CD2 4.36Å; L298-L314 HydrophobicContact CD1-CD2 4.36Å; H299-L314 PolarHBondContact NE2-O 3.12Å; V310-L314 HydrophobicContact CG1-CD1 3.67Å; V310-L314 HydrophobicContact CG1-CG 4.42Å; V310-L314 WeakPolarHBondContact O-CB 3.47Å; V310-L314 PolarHBondContact O-N 3.47Å; I311-L314 PolarHBondContact O-N 3.04Å
315T84.4Confident80.5Confident60 Ų6076.8 Ų76.837%0.36838%0.376SS..  trans-104.4165.7169.663.20000110.6K313 E317 V318 L319K313-T315 PolarHBondContact O-N 3.04Å; T315-E317 PolarHBondContact O-N 3.22Å; T315-V318 PolarHBondContact O-N 3.39Å; T315-V318 PolarHBondContact OG1-N 3.1Å; T315-L319 PolarHBondContact O-N 3.44Å
316L80.9Confident79.6Confident64 Ų6478.5 Ų78.534%0.33538%0.384SS..Hα-helixtrans-55.9-36.1173.8-77.2172000112E292 L295 L319 H320E292-L316 HydrophobicContact CG-CD1 4.24Å; L295-L316 HydrophobicContact CB-CD2 4.34Å; L295-L316 HydrophobicContact CD2-CD2 4.22Å; L295-L316 HydrophobicContact CD2-CG 4.07Å; L316-L319 PolarHBondContact O-N 3.12Å; L316-H320 WeakPolarHBondContact O-CB 3.35Å; L316-H320 PolarHBondContact O-CD2 3.17Å; L316-H320 PolarHBondContact O-N 3.26Å
317E81.1Confident79Confident159 Ų15972.2 Ų72.274%0.74336%0.363SS*.Hα-helixtrans-65.4-43.3178.8-64.3175.8-177.500112.1T315 L319 H320 S321T315-E317 PolarHBondContact O-N 3.22Å; E317-L319 VanDerWaalsContact C-N 3.33Å; E317-H320 PolarHBondContact O-N 3.25Å; E317-S321 WeakPolarHBondContact O-CB 3.5Å; E317-S321 PolarHBondContact O-N 2.78Å; E317-S321 PolarHBondContact O-OG 2.86Å
318V81Confident78.2Confident44 Ų4472.4 Ų72.427%0.26737%0.37SS..Hα-helixtrans-65.1-39.5175.4176.40000110.7T315 S321 H322T315-V318 PolarHBondContact O-N 3.39Å; T315-V318 PolarHBondContact OG1-N 3.1Å; V318-S321 PolarHBondContact O-N 3.38Å; V318-S321 PolarHBondContact O-OG 3.47Å; V318-H322 PolarHBondContact O-CD2 3.18Å; V318-H322 PolarHBondContact O-N 2.67Å
319L80.7Confident77.5Confident0 Ų071.7 Ų71.70%037%0.366CS..Hα-helixtrans-64-45.6176.2-176.960000111.8F3 L6 V286 A294 L298 T315 L316 E317 H322 M323F3-L319 HydrophobicContact CE2-CD1 4.43Å; L6-L319 HydrophobicContact CD1-CD1 3.85Å; V286-L319 HydrophobicContact CG2-CD1 4.21Å; V286-L319 HydrophobicContact CG2-CD2 3.64Å; V286-L319 HydrophobicContact CG2-CG 3.89Å; A294-L319 HydrophobicContact CB-CD2 4.05Å; L298-L319 HydrophobicContact CD1-CD1 3.76Å; L298-L319 HydrophobicContact CD1-CD2 4.28Å; T315-L319 PolarHBondContact O-N 3.44Å; L316-L319 PolarHBondContact O-N 3.12Å; E317-L319 VanDerWaalsContact C-N 3.33Å; L319-H322 PolarHBondContact O-N 2.92Å; L319-M323 HydrophobicContact CD1-SD 4.32Å; L319-M323 PolarHBondContact O-N 2.86Å
320H80.9Confident76.5Confident79 Ų7968 Ų6837%0.36636%0.356SS..Hα-helixtrans-66-39177.6-90.4-76.7000112.5S291 L316 E317 H322 M323 S324S291-H320 PolarHBondContact OG-CE1 3.16Å; S291-H320 PolarHBondContact OG-NE2 3.42Å; L316-H320 WeakPolarHBondContact O-CB 3.35Å; L316-H320 PolarHBondContact O-CD2 3.17Å; L316-H320 PolarHBondContact O-N 3.26Å; E317-H320 PolarHBondContact O-N 3.25Å; H320-H322 PolarHBondContact O-N 3.43Å; H320-M323 CarbonylContact O-C 3.52Å; H320-M323 PolarHBondContact O-N 3.14Å; H320-S324 WeakPolarHBondContact O-CA 3.37Å; H320-S324 PolarHBondContact O-N 2.81Å
321S81.3Confident75.3Confident68 Ų6874.2 Ų74.248%0.47638%0.383SS..Hα-helixtrans-64.3-40.7178.7700000112.1E317 V318 M323 S324E317-S321 WeakPolarHBondContact O-CB 3.5Å; E317-S321 PolarHBondContact O-N 2.78Å; E317-S321 PolarHBondContact O-OG 2.86Å; V318-S321 PolarHBondContact O-N 3.38Å; V318-S321 PolarHBondContact O-OG 3.47Å; S321-M323 VanDerWaalsContact C-N 3.29Å; S321-M323 PolarHBondContact O-N 3.46Å; S321-S324 PolarHBondContact O-OG 3.45Å
322H78Confident74.2Confident19 Ų1975.3 Ų75.39%0.08839%0.394CS..Hα-helixtrans-71.4-19.2176-83-105.5000114.3M1 G2 L6 V318 L319 H320M1-H322 WeakPolarHBondContact CB-CE1 3.39Å; G2-H322 PolarHBondContact O-ND1 3.44Å; L6-H322 HydrophobicContact CD1-CB 4.29Å; V318-H322 PolarHBondContact O-CD2 3.18Å; V318-H322 PolarHBondContact O-N 2.67Å; L319-H322 PolarHBondContact O-N 2.92Å; H320-H322 PolarHBondContact O-N 3.43Å
323M79.6Confident73.2Confident0 Ų073.4 Ų73.40%039%0.392CS..Hα-helixtrans-110-2.5179.9-70.1-161.161.600114.4F3 R283 V286 L287 L319 H320 S321 K325 E326 I327F3-M323 HydrophobicContact CB-CG 4.42Å; F3-M323 HydrophobicContact CD2-CG 3.95Å; F3-M323 HydrophobicContact CD2-SD 3.61Å; F3-M323 HydrophobicContact CE2-SD 4.06Å; R283-M323 HydrophobicContact CB-CE 4.24Å; R283-M323 HydrophobicContact CG-CE 3.97Å; R283-M323 HydrophobicContact CG-SD 4.5Å; V286-M323 HydrophobicContact CB-CE 3.8Å; V286-M323 HydrophobicContact CB-SD 3.56Å; V286-M323 VanDerWaalsContact CB-SD 3.56Å; V286-M323 HydrophobicContact CG1-CB 4.15Å; V286-M323 HydrophobicContact CG1-CE 3.86Å; V286-M323 HydrophobicContact CG1-CG 4.45Å; V286-M323 HydrophobicContact CG1-SD 3.61Å; V286-M323 HydrophobicContact CG2-SD 3.64Å; L287-M323 HydrophobicContact CG-CE 4.36Å; L319-M323 HydrophobicContact CD1-SD 4.32Å; L319-M323 PolarHBondContact O-N 2.86Å; H320-M323 CarbonylContact O-C 3.52Å; H320-M323 PolarHBondContact O-N 3.14Å; S321-M323 VanDerWaalsContact C-N 3.29Å; S321-M323 PolarHBondContact O-N 3.46Å; M323-K325 VanDerWaalsContact C-N 3.34Å; M323-K325 PolarHBondContact O-N 3.44Å; M323-E326 WeakPolarHBondContact O-CA 3.46Å; M323-E326 PolarHBondContact O-N 3.45Å; M323-I327 HydrophobicContact CB-CD1 4.12Å; M323-I327 HydrophobicContact CB-CG1 4.41Å; M323-I327 WeakPolarHBondContact O-CG1 2.97Å; M323-I327 PolarHBondContact O-N 3.02Å
324S75.4Confident72.5Confident47 Ų4769.8 Ų69.833%0.32938%0.376SS..Hα-helixtrans-47-51.3-179.4520000113.2H320 S321 E326 I327 E328H320-S324 WeakPolarHBondContact O-CA 3.37Å; H320-S324 PolarHBondContact O-N 2.81Å; S321-S324 PolarHBondContact O-OG 3.45Å; S324-E326 VanDerWaalsContact C-N 3.34Å; S324-E326 PolarHBondContact O-N 3.13Å; S324-I327 PolarHBondContact O-N 3.48Å; S324-E328 WeakPolarHBondContact O-CG 3.37Å; S324-E328 PolarHBondContact O-N 2.98Å
325K71.2Confident72.2Confident165 Ų16573.7 Ų73.772%0.71740%0.401SS*.Hα-helixtrans-60.3-38.8176.6-69.4-174.3172.5-1720113.7M323 S329M323-K325 VanDerWaalsContact C-N 3.34Å; M323-K325 PolarHBondContact O-N 3.44Å; K325-S329 WeakPolarHBondContact O-CB 3.22Å; K325-S329 PolarHBondContact O-N 3.16Å; K325-S329 PolarHBondContact O-OG 3.48Å
326E71.7Confident71.5Confident53 Ų5372.8 Ų72.825%0.24840%0.399CS..Hα-helixtrans-72-38.8178.5-76.2179.9-160.500111.1R283 M323 S324 S329 S330R283-E326 IonicContact CZ-OE1 2.88Å; R283-E326 IonicContact CZ-OE2 2.68Å; R283-E326 IonicContact NE-OE1 3.8Å; R283-E326 PolarHBondContact NE-OE1 3.37Å; R283-E326 IonicContact NE-OE2 3.82Å; R283-E326 PolarHBondContact NE-OE2 2.96Å; R283-E326 IonicContact NH2-OE1 2.73Å; R283-E326 PolarHBondContact NH2-OE1 3.3Å; R283-E326 IonicContact NH2-OE2 2.89Å; M323-E326 WeakPolarHBondContact O-CA 3.46Å; M323-E326 PolarHBondContact O-N 3.45Å; S324-E326 VanDerWaalsContact C-N 3.34Å; S324-E326 PolarHBondContact O-N 3.13Å; E326-S329 WeakPolarHBondContact CA-OG 3.4Å; E326-S329 PolarHBondContact O-N 3.12Å; E326-S329 PolarHBondContact O-OG 3.09Å; E326-S330 PolarHBondContact O-N 3.47Å
327I74.3Confident71.2Confident44 Ų4476.9 Ų76.923%0.22641%0.414CS..Hα-helixtrans-62.8-48.5175.5-65.5164.3000110.1V286 L287 M323 S324 S329 S330 H331V286-I327 HydrophobicContact CG1-CD1 4Å; V286-I327 HydrophobicContact CG1-CG1 4.42Å; L287-I327 HydrophobicContact CD2-CG1 4.17Å; M323-I327 HydrophobicContact CB-CD1 4.12Å; M323-I327 HydrophobicContact CB-CG1 4.41Å; M323-I327 WeakPolarHBondContact O-CG1 2.97Å; M323-I327 PolarHBondContact O-N 3.02Å; S324-I327 PolarHBondContact O-N 3.48Å; I327-S329 VanDerWaalsContact C-N 3.35Å; I327-S329 PolarHBondContact O-N 3.35Å; I327-S330 WeakPolarHBondContact O-CB 3.28Å; I327-S330 PolarHBondContact O-N 3.43Å; I327-S330 PolarHBondContact O-OG 2.99Å; I327-H331 PolarHBondContact O-CD2 3.4Å; I327-H331 VanDerWaalsContact O-CD2 3.31Å
328E69.1Low70.9Confident140 Ų14070.8 Ų70.865%0.65439%0.387SS*.Hα-helixtrans-60.7-43.2176.1-73.7172.3-174.300111.6S324 S330 H331S324-E328 WeakPolarHBondContact O-CG 3.37Å; S324-E328 PolarHBondContact O-N 2.98Å; E328-S330 VanDerWaalsContact C-N 3.28Å; E328-S330 PolarHBondContact O-N 3Å; E328-H331 WeakPolarHBondContact O-CB 3.39Å; E328-H331 PolarHBondContact O-N 3.33Å
329S63.9Low70.8Confident63 Ų6368.8 Ų68.844%0.44138%0.375SS..Hα-helixtrans-68-25.1177.974.20000113.9K325 E326 I327 H331 S332K325-S329 WeakPolarHBondContact O-CB 3.22Å; K325-S329 PolarHBondContact O-N 3.16Å; K325-S329 PolarHBondContact O-OG 3.48Å; E326-S329 WeakPolarHBondContact CA-OG 3.4Å; E326-S329 PolarHBondContact O-N 3.12Å; E326-S329 PolarHBondContact O-OG 3.09Å; I327-S329 VanDerWaalsContact C-N 3.35Å; I327-S329 PolarHBondContact O-N 3.35Å; S329-H331 PolarHBondContact O-N 3.02Å; S329-S332 PolarHBondContact O-N 2.82Å; S329-S332 PolarHBondContact O-OG 2.96Å
330S58.1Low70.8Confident65 Ų6572.6 Ų72.646%0.45540%0.395SS..Hα-helixtrans-64.8-22.9176.8800000112.6E326 I327 E328 S332E326-S330 PolarHBondContact O-N 3.47Å; I327-S330 WeakPolarHBondContact O-CB 3.28Å; I327-S330 PolarHBondContact O-N 3.43Å; I327-S330 PolarHBondContact O-OG 2.99Å; E328-S330 VanDerWaalsContact C-N 3.28Å; E328-S330 PolarHBondContact O-N 3Å; S330-S332 VanDerWaalsContact C-N 3.35Å
331H54Low70.8Confident154 Ų15476.2 Ų76.271%0.71341%0.409SS*.THydrogen-bonded Turntrans-76.7-20.5174.9-70.6-77000113.1I327 E328 S329I327-H331 PolarHBondContact O-CD2 3.4Å; I327-H331 VanDerWaalsContact O-CD2 3.31Å; E328-H331 WeakPolarHBondContact O-CB 3.39Å; E328-H331 PolarHBondContact O-N 3.33Å; S329-H331 PolarHBondContact O-N 3.02Å
332S56.8Low70.9Confident55 Ų5574 Ų7439%0.38539%0.393SS..SBendtrans-94.291.5172.457.20000110.5S329 S330 F334S329-S332 PolarHBondContact O-N 2.82Å; S329-S332 PolarHBondContact O-OG 2.96Å; S330-S332 VanDerWaalsContact C-N 3.35Å; S332-F334 PolarHBondContact O-N 3.08Å
333S56.1Low71.3Confident103 Ų10383 Ų8372%0.7243%0.426SS*.  trans-77.1103.317746.60000111.1
334F63.4Low71.5Confident78 Ų7886.1 Ų86.134%0.34244%0.438SS..  trans-80.9119.3171.6-66.2-76.5000110.3S332 D338 V462 I463 T466S332-F334 PolarHBondContact O-N 3.08Å; F334-D338 WeakPolarHBondContact CA-OD2 3.32Å; F334-V462 HydrophobicContact CE2-CB 4.41Å; F334-I463 HydrophobicContact CB-CG2 4.17Å; F334-I463 HydrophobicContact CD1-CG2 4.14Å; F334-I463 HydrophobicContact CG-CG2 4.05Å; F334-T466 PolarHBondContact O-OG1 3.31Å
335T73.6Confident72.1Confident88 Ų8883.9 Ų83.954%0.5442%0.422SS..  trans-93.2159.1-177.6-56.40000110.1F337 D338T335-F337 HydrophobicContact CG2-CB 4.48Å; T335-F337 PolarHBondContact O-N 3.45Å; T335-D338 PolarHBondContact N-OD2 3.28Å; T335-D338 WeakPolarHBondContact O-CB 3.19Å; T335-D338 PolarHBondContact O-N 3.4Å
336A70.6Confident72.9Confident41 Ų4181.5 Ų81.534%0.33941%0.409SS..THydrogen-bonded Turntrans-54.4-24.2175.200000113.4D338 L339 T466 F470A336-D338 VanDerWaalsContact C-N 3.27Å; A336-D338 PolarHBondContact O-N 2.8Å; A336-L339 HydrophobicContact CB-CD1 4.49Å; A336-L339 VanDerWaalsContact O-CB 3.27Å; A336-L339 WeakPolarHBondContact O-CB 3.43Å; A336-L339 WeakPolarHBondContact O-CG 3.26Å; A336-L339 PolarHBondContact O-N 2.91Å; A336-T466 HydrophobicContact CB-CG2 4.49Å; A336-F470 HydrophobicContact CB-CD2 4.38Å
337F74.1Confident73.8Confident149 Ų14985.2 Ų85.265%0.65442%0.421SS*.THydrogen-bonded Turntrans-63.9-29.7173.3-170.1-101.3000113.2T335 L339 L340 K341T335-F337 HydrophobicContact CG2-CB 4.48Å; T335-F337 PolarHBondContact O-N 3.45Å; F337-L339 PolarHBondContact O-N 3.5Å; F337-L340 PolarHBondContact O-N 3.03Å; F337-K341 PolarHBondContact O-N 2.91Å
338D75.4Confident74.6Confident31 Ų3183.7 Ų83.717%0.16641%0.413CS..Hα-helixtrans-66.4-21.2177.7-65.1-47.5000112.4F334 T335 A336 L340 K341F334-D338 WeakPolarHBondContact CA-OD2 3.32Å; T335-D338 PolarHBondContact N-OD2 3.28Å; T335-D338 WeakPolarHBondContact O-CB 3.19Å; T335-D338 PolarHBondContact O-N 3.4Å; A336-D338 VanDerWaalsContact C-N 3.27Å; A336-D338 PolarHBondContact O-N 2.8Å; D338-L340 PolarHBondContact O-N 3.48Å; D338-K341 WeakPolarHBondContact O-CB 3.19Å; D338-K341 PolarHBondContact O-N 3.12Å
339L77.9Confident75.7Confident3 Ų377.1 Ų77.12%0.01638%0.382CS..Hα-helixtrans-66-24.2172.2-58.6170.3000112.4A336 F337 I345 R346 Y459 I463 F470A336-L339 HydrophobicContact CB-CD1 4.49Å; A336-L339 VanDerWaalsContact O-CB 3.27Å; A336-L339 WeakPolarHBondContact O-CB 3.43Å; A336-L339 WeakPolarHBondContact O-CG 3.26Å; A336-L339 PolarHBondContact O-N 2.91Å; F337-L339 PolarHBondContact O-N 3.5Å; L339-I345 HydrophobicContact CD2-CG2 4.44Å; L339-I345 CarbonylContact O-C 3.52Å; L339-I345 WeakPolarHBondContact O-CG2 3.45Å; L339-R346 WeakPolarHBondContact O-CA 3.32Å; L339-R346 PolarHBondContact O-N 3.33Å; L339-Y459 HydrophobicContact CD2-CD1 4.21Å; L339-Y459 HydrophobicContact CD2-CE1 3.76Å; L339-I463 HydrophobicContact CD2-CB 4.44Å; L339-I463 HydrophobicContact CD2-CD1 4.04Å; L339-I463 HydrophobicContact CD2-CG1 4.24Å; L339-F470 HydrophobicContact CD1-CB 3.85Å; L339-F470 HydrophobicContact CD1-CD1 4.15Å; L339-F470 HydrophobicContact CD1-CG 4.08Å
340L82.1Confident77Confident80 Ų8078.3 Ų78.342%0.41938%0.383SS..Hα-helixtrans-98.1-10.4-178.5-59.7178.5000113.1F337 D338 R346F337-L340 PolarHBondContact O-N 3.03Å; D338-L340 PolarHBondContact O-N 3.48Å; L340-R346 HydrophobicContact CD2-CG 4Å
341K79.7Confident78.8Confident155 Ų15575.5 Ų75.567%0.67436%0.363SS*.Hα-helixtrans-67.5-45.7-172.1-164.1173.8-174.1174.60112.5F337 D338F337-K341 PolarHBondContact O-N 2.91Å; D338-K341 WeakPolarHBondContact O-CB 3.19Å; D338-K341 PolarHBondContact O-N 3.12Å
342T84.4Confident80.6Confident21 Ų2168.2 Ų68.213%0.12933%0.329CS..SBendtrans-93.8137.9-178.7-75.10000112R344 I345 R346 E530T342-R344 HydrophobicContact CG2-CB 4.41Å; T342-R344 PolarHBondContact O-N 2.7Å; T342-I345 HydrophobicContact CG2-CB 4.25Å; T342-I345 HydrophobicContact CG2-CD1 4.26Å; T342-I345 HydrophobicContact CG2-CG1 4.06Å; T342-I345 PolarHBondContact O-N 3.26Å; T342-R346 WeakPolarHBondContact O-CB 3.48Å; T342-R346 PolarHBondContact O-N 2.99Å; T342-E530 VanDerWaalsContact CB-OE1 3.26Å; T342-E530 WeakPolarHBondContact CB-OE1 3.27Å; T342-E530 HydrophobicContact CG2-CG 3.44Å; T342-E530 VanDerWaalsContact CG2-CG 3.44Å; T342-E530 WeakPolarHBondContact CG2-OE1 3.25Å; T342-E530 PolarHBondContact OG1-OE1 3.1Å
343R85.4Confident82.4Confident207 Ų20767 Ų6778%0.78132%0.319SS*.Hα-helixtrans-55.1-43-178.9-171.7176.8-177.4176.32.6113.9R347R343-R347 PolarHBondContact O-N 2.77Å
344R84.9Confident84.3Confident66 Ų6663.3 Ų63.325%0.24930%0.295CS..Hα-helixtrans-75.9-46.3-177.5-162.3-173-69.2-152.6-0.6112.5T342 R346 R347 I348 V529 E530 N532 R533T342-R344 HydrophobicContact CG2-CB 4.41Å; T342-R344 PolarHBondContact O-N 2.7Å; R344-R346 VanDerWaalsContact C-N 3.29Å; R344-R346 PolarHBondContact O-N 3.05Å; R344-R347 WeakPolarHBondContact O-CB 3.25Å; R344-R347 PolarHBondContact O-N 3.15Å; R344-I348 HydrophobicContact CG-CD1 4.34Å; R344-I348 WeakPolarHBondContact O-CG1 3.35Å; R344-I348 PolarHBondContact O-N 3.34Å; R344-V529 HydrophobicContact CB-CG1 4.46Å; R344-V529 WeakPolarHBondContact CD-O 3.36Å; R344-V529 HydrophobicContact CG-CG1 4.22Å; R344-V529 PolarHBondContact NE-O 2.99Å; R344-V529 PolarHBondContact NH1-O 3.15Å; R344-E530 PolarHBondContact NH2-O 3.19Å; R344-N532 PolarHBondContact NH1-O 2.88Å; R344-N532 VanDerWaalsContact NH1-O 3.17Å; R344-N532 VanDerWaalsContact NH2-C 3.3Å; R344-N532 PolarHBondContact NH2-O 3.36Å; R344-R533 VanDerWaalsContact NH2-N 3.14Å
345I86.4Confident85.8Confident1 Ų159.6 Ų59.61%0.00528%0.279CS..Hα-helixtrans-62.7-38.6176-62.4174.1000110.4L339 T342 R347 I348 S349 Y459 P460 I463 I526 V529L339-I345 HydrophobicContact CD2-CG2 4.44Å; L339-I345 CarbonylContact O-C 3.52Å; L339-I345 WeakPolarHBondContact O-CG2 3.45Å; T342-I345 HydrophobicContact CG2-CB 4.25Å; T342-I345 HydrophobicContact CG2-CD1 4.26Å; T342-I345 HydrophobicContact CG2-CG1 4.06Å; T342-I345 PolarHBondContact O-N 3.26Å; I345-R347 PolarHBondContact O-N 3.37Å; I345-I348 PolarHBondContact O-N 3.35Å; I345-S349 VanDerWaalsContact O-CB 3.3Å; I345-S349 WeakPolarHBondContact O-CB 3.13Å; I345-S349 PolarHBondContact O-N 2.93Å; I345-S349 PolarHBondContact O-OG 3.37Å; I345-Y459 HydrophobicContact CG2-CE1 4.46Å; I345-P460 HydrophobicContact CD1-CG 4.44Å; I345-I463 HydrophobicContact CD1-CD1 3.73Å; I345-I463 HydrophobicContact CG2-CD1 3.87Å; I345-I526 HydrophobicContact CD1-CB 4Å; I345-I526 HydrophobicContact CD1-CD1 4.41Å; I345-I526 HydrophobicContact CD1-CG1 3.72Å; I345-I526 HydrophobicContact CD1-CG2 3.52Å; I345-V529 HydrophobicContact CG1-CG1 4.02Å
346R89.8Confident86.8Confident115 Ų11555.5 Ų55.543%0.43425%0.254SS..Hα-helixtrans-58.7-46.4173.1-176.5175.570.9-164.66111.9L339 L340 T342 R344 S349 I350L339-R346 WeakPolarHBondContact O-CA 3.32Å; L339-R346 PolarHBondContact O-N 3.33Å; L340-R346 HydrophobicContact CD2-CG 4Å; T342-R346 WeakPolarHBondContact O-CB 3.48Å; T342-R346 PolarHBondContact O-N 2.99Å; R344-R346 VanDerWaalsContact C-N 3.29Å; R344-R346 PolarHBondContact O-N 3.05Å; R346-S349 PolarHBondContact O-N 3.43Å; R346-I350 HydrophobicContact CG-CD1 3.86Å; R346-I350 VanDerWaalsContact O-CG1 3.27Å; R346-I350 WeakPolarHBondContact O-CG1 3.35Å; R346-I350 PolarHBondContact O-N 3.04Å
347R90.4Very high88Confident131 Ų13156.8 Ų56.849%0.49425%0.252SS..Hα-helixtrans-61-47.3176.6-176-175.3179.6-168.73111.5R343 R344 I345 S349 I350 C351R343-R347 PolarHBondContact O-N 2.77Å; R344-R347 WeakPolarHBondContact O-CB 3.25Å; R344-R347 PolarHBondContact O-N 3.15Å; I345-R347 PolarHBondContact O-N 3.37Å; R347-S349 VanDerWaalsContact C-N 3.34Å; R347-S349 PolarHBondContact O-N 2.93Å; R347-I350 PolarHBondContact O-N 3.5Å; R347-C351 WeakPolarHBondContact O-CB 3.46Å; R347-C351 PolarHBondContact O-N 2.85Å; R347-C351 VanDerWaalsContact O-N 3.07Å; R347-C351 PolarHBondContact O-SG 3.4Å
348I90.4Very high89Confident11 Ų1149.8 Ų49.86%0.05622%0.221CC..Hα-helixtrans-59.3-46.9177.4-69.6169000110.1R344 I345 C351 L352 L458 L514 P515 V529R344-I348 HydrophobicContact CG-CD1 4.34Å; R344-I348 WeakPolarHBondContact O-CG1 3.35Å; R344-I348 PolarHBondContact O-N 3.34Å; I345-I348 PolarHBondContact O-N 3.35Å; I348-C351 PolarHBondContact O-N 3.02Å; I348-L352 HydrophobicContact CG2-CD1 3.67Å; I348-L352 HydrophobicContact CG2-CG 4.24Å; I348-L352 WeakPolarHBondContact O-CB 3.36Å; I348-L352 WeakPolarHBondContact O-CG 3.3Å; I348-L352 PolarHBondContact O-N 3.35Å; I348-L458 HydrophobicContact CG2-CB 4.06Å; I348-L458 HydrophobicContact CG2-CD1 4.35Å; I348-L458 HydrophobicContact CG2-CD2 4.5Å; I348-L514 HydrophobicContact CG2-CD2 4.33Å; I348-P515 HydrophobicContact CD1-CG 4.43Å; I348-V529 HydrophobicContact CD1-CG1 4.07Å
349S91.4Very high89.9Confident2 Ų248.3 Ų48.31%0.01421%0.213CC..Hα-helixtrans-63.2-45.5-178.5-54.60000112I345 R346 R347 C351 L352 T353 Y459I345-S349 VanDerWaalsContact O-CB 3.3Å; I345-S349 WeakPolarHBondContact O-CB 3.13Å; I345-S349 PolarHBondContact O-N 2.93Å; I345-S349 PolarHBondContact O-OG 3.37Å; R346-S349 PolarHBondContact O-N 3.43Å; R347-S349 VanDerWaalsContact C-N 3.34Å; R347-S349 PolarHBondContact O-N 2.93Å; S349-C351 PolarHBondContact O-N 2.88Å; S349-L352 PolarHBondContact O-N 3.28Å; S349-T353 WeakPolarHBondContact O-CB 3.12Å; S349-T353 PolarHBondContact O-N 3.05Å; S349-T353 PolarHBondContact O-OG1 3.48Å; S349-T353 VanDerWaalsContact O-OG1 3.07Å; S349-Y459 WeakPolarHBondContact CA-OH 3.15Å; S349-Y459 PolarHBondContact OG-OH 2.9Å
350I92.9Very high90.7Very high89 Ų8948.2 Ų48.246%0.45621%0.213SC..Hα-helixtrans-60.8-46.9176.6-69.2166.5000110.9R346 R347 T353 A354R346-I350 HydrophobicContact CG-CD1 3.86Å; R346-I350 VanDerWaalsContact O-CG1 3.27Å; R346-I350 WeakPolarHBondContact O-CG1 3.35Å; R346-I350 PolarHBondContact O-N 3.04Å; R347-I350 PolarHBondContact O-N 3.5Å; I350-T353 PolarHBondContact O-N 3.31Å; I350-A354 PolarHBondContact O-N 3.25Å; I350-A354 VanDerWaalsContact O-N 3.08Å
351C94Very high91.2Very high6 Ų644.8 Ų44.84%0.04120%0.195CC..Hα-helixtrans-64.7-44.3-180-630000111.1R347 I348 S349 A354 V355 F510 L514R347-C351 WeakPolarHBondContact O-CB 3.46Å; R347-C351 PolarHBondContact O-N 2.85Å; R347-C351 VanDerWaalsContact O-N 3.07Å; R347-C351 PolarHBondContact O-SG 3.4Å; I348-C351 PolarHBondContact O-N 3.02Å; S349-C351 PolarHBondContact O-N 2.88Å; C351-A354 PolarHBondContact O-N 2.87Å; C351-V355 WeakPolarHBondContact O-CB 3.49Å; C351-V355 WeakPolarHBondContact O-CG2 3.41Å; C351-V355 PolarHBondContact O-N 3.49Å; C351-F510 HydrophobicContact CB-CB 4.42Å; C351-L514 HydrophobicContact CB-CD1 4.42Å; C351-L514 HydrophobicContact CB-CD2 3.59Å; C351-L514 HydrophobicContact CB-CG 3.85Å
352L93.2Very high91.9Very high0 Ų037.4 Ų37.40%016%0.163CC..Hα-helixtrans-63.7-43176.7-74.9176.2000111.7I348 S349 A354 V355 W356 T455 L458 Y459 V471 L514I348-L352 HydrophobicContact CG2-CD1 3.67Å; I348-L352 HydrophobicContact CG2-CG 4.24Å; I348-L352 WeakPolarHBondContact O-CB 3.36Å; I348-L352 WeakPolarHBondContact O-CG 3.3Å; I348-L352 PolarHBondContact O-N 3.35Å; S349-L352 PolarHBondContact O-N 3.28Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3.35Å; L352-V355 PolarHBondContact O-N 3.3Å; L352-W356 WeakPolarHBondContact O-CB 3.37Å; L352-W356 PolarHBondContact O-N 3.4Å; L352-T455 HydrophobicContact CD1-CG2 4.22Å; L352-L458 HydrophobicContact CD1-CB 4.36Å; L352-L458 HydrophobicContact CD1-CD1 3.97Å; L352-L458 HydrophobicContact CD2-CD1 3.81Å; L352-L458 HydrophobicContact CG-CD1 4.15Å; L352-Y459 HydrophobicContact CD1-CD2 4.27Å; L352-Y459 HydrophobicContact CD1-CE2 3.65Å; L352-V471 HydrophobicContact CB-CG1 3.96Å; L352-L514 HydrophobicContact CD2-CD1 3.96Å; L352-L514 HydrophobicContact CD2-CD2 4.43Å; L352-L514 HydrophobicContact CG-CD2 4.17Å
353T94.3Very high92.2Very high29 Ų2937.1 Ų37.118%0.17816%0.159CC..Hα-helixtrans-57-47176-71.80000111.7S349 I350 V355 F357 F470 M474S349-T353 WeakPolarHBondContact O-CB 3.12Å; S349-T353 PolarHBondContact O-N 3.05Å; S349-T353 PolarHBondContact O-OG1 3.48Å; S349-T353 VanDerWaalsContact O-OG1 3.07Å; I350-T353 PolarHBondContact O-N 3.31Å; T353-V355 PolarHBondContact O-N 2.82Å; T353-F357 VanDerWaalsContact O-CB 3.25Å; T353-F357 WeakPolarHBondContact O-CB 3.26Å; T353-F357 PolarHBondContact O-N 3.02Å; T353-F470 WeakPolarHBondContact OG1-CE1 3.49Å; T353-M474 HydrophobicContact CG2-CB 3.96Å; T353-M474 HydrophobicContact CG2-CG 3.56Å; T353-M474 HydrophobicContact CG2-SD 3.95Å
354A95.3Very high92.4Very high26 Ų2627.9 Ų27.922%0.21513%0.125CC..Hα-helixtrans-62.1-44177.400000112I350 C351 L352 S358 F510I350-A354 PolarHBondContact O-N 3.25Å; I350-A354 VanDerWaalsContact O-N 3.08Å; C351-A354 PolarHBondContact O-N 2.87Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3.35Å; A354-S358 WeakPolarHBondContact O-CB 3.38Å; A354-S358 PolarHBondContact O-N 3.43Å; A354-F510 HydrophobicContact CB-CB 4.17Å; A354-F510 HydrophobicContact CB-CD2 3.66Å; A354-F510 HydrophobicContact CB-CE2 4.21Å; A354-F510 HydrophobicContact CB-CG 3.89Å
355V95.6Very high92.7Very high0 Ų024.8 Ų24.80%011%0.113CC..Hα-helixtrans-64.4-50178.7173.10000111.3C351 L352 T353 F357 S358 T359 Q408 L412 V451 A507 A511C351-V355 WeakPolarHBondContact O-CB 3.49Å; C351-V355 WeakPolarHBondContact O-CG2 3.41Å; C351-V355 PolarHBondContact O-N 3.49Å; L352-V355 PolarHBondContact O-N 3.3Å; T353-V355 PolarHBondContact O-N 2.82Å; V355-F357 PolarHBondContact O-N 3.28Å; V355-S358 PolarHBondContact O-N 3.03Å; V355-T359 VanDerWaalsContact O-CB 3.29Å; V355-T359 WeakPolarHBondContact O-CB 3.37Å; V355-T359 PolarHBondContact O-N 3.25Å; V355-T359 PolarHBondContact O-OG1 3.32Å; V355-Q408 HydrophobicContact CG1-CG 4.15Å; V355-L412 HydrophobicContact CG1-CD1 4.12Å; V355-V451 HydrophobicContact CG1-CB 4.34Å; V355-V451 HydrophobicContact CG1-CG2 3.59Å; V355-A507 WeakPolarHBondContact CG2-O 3.21Å; V355-A511 HydrophobicContact CG2-CB 3.9Å
356W95.1Very high92.7Very high3 Ų325.4 Ų25.41%0.01112%0.116CC..Hα-helixtrans-61.6-43.9179.2-8898.7000113.3L352 S360 V451 Y452 T455 V471 A475L352-W356 WeakPolarHBondContact O-CB 3.37Å; L352-W356 PolarHBondContact O-N 3.4Å; W356-S360 VanDerWaalsContact O-CB 3.3Å; W356-S360 WeakPolarHBondContact O-CB 3.26Å; W356-S360 PolarHBondContact O-N 3.34Å; W356-S360 VanDerWaalsContact O-N 3.12Å; W356-V451 HydrophobicContact CD2-CG1 3.92Å; W356-V451 HydrophobicContact CD2-CG2 4.12Å; W356-V451 HydrophobicContact CE3-CG1 4.01Å; W356-V451 HydrophobicContact CG-CG2 4.09Å; W356-V451 HydrophobicContact CH2-CG1 4.24Å; W356-V451 HydrophobicContact CZ2-CG1 4.06Å; W356-V451 HydrophobicContact CZ3-CG1 4.2Å; W356-Y452 AromaticContact CH2-CD1 3.61Å; W356-Y452 HydrophobicContact CH2-CD1 3.61Å; W356-Y452 AromaticContact CH2-CD2 3.25Å; W356-Y452 HydrophobicContact CH2-CD2 3.25Å; W356-Y452 AromaticContact CH2-CE1 3.57Å; W356-Y452 HydrophobicContact CH2-CE1 3.57Å; W356-Y452 AromaticContact CH2-CE2 3.17Å; W356-Y452 HydrophobicContact CH2-CE2 3.17Å; W356-Y452 AromaticContact CH2-CG 3.47Å; W356-Y452 HydrophobicContact CH2-CG 3.47Å; W356-Y452 VanDerWaalsContact CH2-CG 3.47Å; W356-Y452 AromaticContact CH2-CZ 3.35Å; W356-Y452 HydrophobicContact CZ2-CD1 4.31Å; W356-Y452 HydrophobicContact CZ2-CD2 4.2Å; W356-Y452 HydrophobicContact CZ2-CE2 4.43Å; W356-Y452 HydrophobicContact CZ2-CG 4.13Å; W356-Y452 AromaticContact CZ3-CD2 3.65Å; W356-Y452 HydrophobicContact CZ3-CD2 3.65Å; W356-Y452 HydrophobicContact CZ3-CE1 4.28Å; W356-Y452 AromaticContact CZ3-CE2 3.21Å; W356-Y452 HydrophobicContact CZ3-CE2 3.21Å; W356-Y452 HydrophobicContact CZ3-CG 4.32Å; W356-Y452 AromaticContact CZ3-CZ 3.59Å; W356-T455 PolarHBondContact NE1-OG1 3Å; W356-V471 HydrophobicContact CB-CB 4.37Å; W356-V471 HydrophobicContact CD2-CB 4.47Å; W356-V471 HydrophobicContact CD2-CG2 4.23Å; W356-V471 HydrophobicContact CG-CB 3.89Å; W356-V471 HydrophobicContact CG-CG2 4.1Å; W356-V471 HydrophobicContact CZ2-CG2 4.27Å; W356-V471 VanDerWaalsContact NE1-CG2 3.34Å; W356-A475 HydrophobicContact CB-CB 4.24Å; W356-A475 HydrophobicContact CD2-CB 4.38Å; W356-A475 HydrophobicContact CE3-CB 3.54Å; W356-A475 HydrophobicContact CZ3-CB 4.19Å
357F95.4Very high92.6Very high67 Ų6719.9 Ų19.929%0.29410%0.095SC..Hα-helixtrans-57.7-54.5174.7174.4-91.8000110.1T353 V355 S360 F361 I477 G478T353-F357 VanDerWaalsContact O-CB 3.25Å; T353-F357 WeakPolarHBondContact O-CB 3.26Å; T353-F357 PolarHBondContact O-N 3.02Å; V355-F357 PolarHBondContact O-N 3.28Å; F357-S360 PolarHBondContact O-N 3.38Å; F357-F361 HydrophobicContact CE1-CB 4.44Å; F357-F361 HydrophobicContact CE1-CG 4.43Å; F357-F361 WeakPolarHBondContact O-CB 3.4Å; F357-F361 PolarHBondContact O-N 3.23Å; F357-I477 HydrophobicContact CD2-CG2 4.42Å; F357-I477 HydrophobicContact CE2-CG2 4.1Å; F357-G478 VanDerWaalsContact CE2-CA 3.47Å
358S95.5Very high92.3Very high2 Ų214.3 Ų14.31%0.0148%0.075CC..Hα-helixtrans-66.6-41.9-176.3-177.70000113.4A354 V355 S360 F361 A362 A503 A504A354-S358 WeakPolarHBondContact O-CB 3.38Å; A354-S358 PolarHBondContact O-N 3.43Å; V355-S358 PolarHBondContact O-N 3.03Å; S358-S360 VanDerWaalsContact C-N 3.33Å; S358-S360 PolarHBondContact O-N 2.71Å; S358-F361 PolarHBondContact O-N 2.9Å; S358-A362 WeakPolarHBondContact O-CB 3.16Å; S358-A362 PolarHBondContact O-N 2.94Å; S358-A503 PolarHBondContact OG-O 3.05Å; S358-A504 VanDerWaalsContact OG-CA 3.3Å; S358-A504 WeakPolarHBondContact OG-CA 3.27Å; S358-A504 PolarHBondContact OG-N 3.08Å; S358-A504 VanDerWaalsContact OG-N 3.17Å
359T94.3Very high91.8Very high0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-63.1-43-179.9-62.50000110.2V355 Y363 S447 F448V355-T359 VanDerWaalsContact O-CB 3.29Å; V355-T359 WeakPolarHBondContact O-CB 3.37Å; V355-T359 PolarHBondContact O-N 3.25Å; V355-T359 PolarHBondContact O-OG1 3.32Å; T359-Y363 WeakPolarHBondContact O-CB 3.43Å; T359-Y363 PolarHBondContact O-N 2.92Å; T359-Y363 VanDerWaalsContact O-N 3.07Å; T359-S447 WeakPolarHBondContact CG2-OG 3.28Å; T359-S447 PolarHBondContact OG1-OG 2.85Å; T359-F448 HydrophobicContact CG2-CB 3.87Å; T359-F448 HydrophobicContact CG2-CD2 3.87Å; T359-F448 HydrophobicContact CG2-CG 4.3Å
360S93.8Very high91.2Very high2 Ų215 Ų151%0.0148%0.079CC..Hα-helixtrans-67.9-45.3175.6-170.90000112.1W356 F357 S358 Y363 Y364 A475W356-S360 VanDerWaalsContact O-CB 3.3Å; W356-S360 WeakPolarHBondContact O-CB 3.26Å; W356-S360 PolarHBondContact O-N 3.34Å; W356-S360 VanDerWaalsContact O-N 3.12Å; F357-S360 PolarHBondContact O-N 3.38Å; S358-S360 VanDerWaalsContact C-N 3.33Å; S358-S360 PolarHBondContact O-N 2.71Å; S360-Y363 PolarHBondContact O-N 3.29Å; S360-Y364 VanDerWaalsContact O-CD2 3.32Å; S360-Y364 WeakPolarHBondContact O-CD2 3.26Å; S360-Y364 PolarHBondContact O-N 2.92Å; S360-A475 WeakPolarHBondContact CB-O 2.93Å; S360-A475 PolarHBondContact OG-O 3.07Å
361F93.9Very high90.4Very high7 Ų714 Ų143%0.0317%0.072CC..Hα-helixtrans-59.1-48.1179.3177.1-109000112.2F357 S358 G365 G478 A481 A482 V485 V499 Y500 A503F357-F361 HydrophobicContact CE1-CB 4.44Å; F357-F361 HydrophobicContact CE1-CG 4.43Å; F357-F361 WeakPolarHBondContact O-CB 3.4Å; F357-F361 PolarHBondContact O-N 3.23Å; S358-F361 PolarHBondContact O-N 2.9Å; F361-G365 PolarHBondContact O-N 2.98Å; F361-G478 WeakPolarHBondContact CD2-O 3Å; F361-A481 HydrophobicContact CD2-CB 4.03Å; F361-A481 HydrophobicContact CE2-CB 4.04Å; F361-A482 HydrophobicContact CD2-CB 3.87Å; F361-A482 HydrophobicContact CE2-CB 4.26Å; F361-A482 WeakPolarHBondContact O-CB 3.44Å; F361-V485 HydrophobicContact CE2-CB 4.25Å; F361-V485 HydrophobicContact CE2-CG2 3.81Å; F361-V485 HydrophobicContact CZ-CB 4.09Å; F361-V485 HydrophobicContact CZ-CG1 4.23Å; F361-V485 HydrophobicContact CZ-CG2 3.72Å; F361-V499 HydrophobicContact CE1-CG1 3.87Å; F361-V499 HydrophobicContact CZ-CG1 3.72Å; F361-Y500 AromaticContact CD1-CD1 3.74Å; F361-Y500 HydrophobicContact CD1-CD1 3.74Å; F361-Y500 HydrophobicContact CD1-CE1 4.26Å; F361-Y500 HydrophobicContact CD2-CE1 4.29Å; F361-Y500 AromaticContact CE1-CD1 3.31Å; F361-Y500 HydrophobicContact CE1-CD1 3.31Å; F361-Y500 AromaticContact CE1-CE1 3.76Å; F361-Y500 HydrophobicContact CE1-CE1 3.76Å; F361-Y500 HydrophobicContact CE1-CG 4.37Å; F361-Y500 HydrophobicContact CE2-CD1 4.21Å; F361-Y500 AromaticContact CE2-CE1 3.79Å; F361-Y500 HydrophobicContact CE2-CE1 3.79Å; F361-Y500 HydrophobicContact CG-CD1 4.34Å; F361-Y500 HydrophobicContact CG-CE1 4.49Å; F361-Y500 AromaticContact CZ-CD1 3.54Å; F361-Y500 HydrophobicContact CZ-CD1 3.54Å; F361-Y500 AromaticContact CZ-CE1 3.47Å; F361-Y500 HydrophobicContact CZ-CE1 3.47Å; F361-Y500 VanDerWaalsContact CZ-CE1 3.47Å; F361-A503 HydrophobicContact CD1-CB 3.92Å; F361-A503 HydrophobicContact CE1-CB 4.09Å
362A93.3Very high89.4Confident0 Ų015.5 Ų15.50%08%0.078CC..Hα-helixtrans-69.7-40.4177.900000112.8S358 G365 L366 T444S358-A362 WeakPolarHBondContact O-CB 3.16Å; S358-A362 PolarHBondContact O-N 2.94Å; A362-G365 PolarHBondContact O-N 3.26Å; A362-L366 PolarHBondContact O-N 2.9Å; A362-L366 VanDerWaalsContact O-N 3.09Å; A362-T444 HydrophobicContact CB-CG2 3.92Å
363Y91.5Very high88.4Confident15 Ų1516 Ų166%0.0598%0.08CC..Hα-helixtrans-60.2-51.9178.3176.2-93000111.5T359 S360 A367 D388T359-Y363 WeakPolarHBondContact O-CB 3.43Å; T359-Y363 PolarHBondContact O-N 2.92Å; T359-Y363 VanDerWaalsContact O-N 3.07Å; S360-Y363 PolarHBondContact O-N 3.29Å; Y363-A367 VanDerWaalsContact O-CB 3.25Å; Y363-A367 WeakPolarHBondContact O-CB 3.46Å; Y363-A367 PolarHBondContact O-N 3.24Å; Y363-D388 PolarHBondContact OH-OD2 3Å
364Y89.9Confident87.1Confident14 Ų1416.9 Ų16.96%0.05510%0.095CC..Hα-helixtrans-72.4-33.6179.9-77.9-68.1000112.5M152 S360 L366 A367 M368M152-Y364 HydrophobicContact CE-CD1 3.81Å; M152-Y364 HydrophobicContact CE-CE1 3.71Å; M152-Y364 HydrophobicContact CE-CG 4.38Å; S360-Y364 VanDerWaalsContact O-CD2 3.32Å; S360-Y364 WeakPolarHBondContact O-CD2 3.26Å; S360-Y364 PolarHBondContact O-N 2.92Å; Y364-L366 PolarHBondContact O-N 2.65Å; Y364-A367 PolarHBondContact O-N 3.46Å; Y364-M368 HydrophobicContact CD1-CE 3.73Å; Y364-M368 HydrophobicContact CG-CE 4.17Å; Y364-M368 WeakPolarHBondContact O-CB 3.48Å; Y364-M368 WeakPolarHBondContact O-CG 3.28Å; Y364-M368 PolarHBondContact O-N 3.4Å
365G89.6Confident86.3Confident0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-58.1-47.3175.200000112.7F361 A362 Y500F361-G365 PolarHBondContact O-N 2.98Å; A362-G365 PolarHBondContact O-N 3.26Å; G365-Y500 WeakPolarHBondContact CA-OH 3.27Å
366L87.5Confident85.9Confident14 Ų1420.4 Ų20.47%0.07312%0.116CC..Hα-helixtrans-69.6-43175.2-71.9169.3000112.2A362 Y364 M368 D369 F384 I419 T444A362-L366 PolarHBondContact O-N 2.9Å; A362-L366 VanDerWaalsContact O-N 3.09Å; Y364-L366 PolarHBondContact O-N 2.65Å; L366-M368 PolarHBondContact O-N 3.25Å; L366-D369 PolarHBondContact O-N 3.25Å; L366-F384 WeakPolarHBondContact O-CE2 3.43Å; L366-I419 HydrophobicContact CD1-CD1 4Å; L366-I419 HydrophobicContact CD1-CG1 4.24Å; L366-I419 HydrophobicContact CD2-CG1 4.45Å; L366-T444 HydrophobicContact CD1-CG2 4.35Å
367A86.3Confident85.5Confident0 Ų020.5 Ų20.50%012%0.117CC..Hα-helixtrans-67.3-21-177.200000113.8L36 N39 Y363 Y364L36-A367 HydrophobicContact CD2-CB 4.01Å; N39-A367 PolarHBondContact ND2-O 3.28Å; Y363-A367 VanDerWaalsContact O-CB 3.25Å; Y363-A367 WeakPolarHBondContact O-CB 3.46Å; Y363-A367 PolarHBondContact O-N 3.24Å; Y364-A367 PolarHBondContact O-N 3.46Å
368M84.6Confident85.2Confident13 Ų1318.2 Ų18.26%0.06411%0.106CC..Hα-helixtrans-93.4-16179.4-68.1176.9-173.600113.7N39 Q148 M152 Y364 L366 L370 P483 L486N39-M368 PolarHBondContact OD1-O 3.36Å; Q148-M368 HydrophobicContact CG-CE 3.69Å; Q148-M368 HydrophobicContact CG-SD 3.61Å; M152-M368 HydrophobicContact CE-CE 3.4Å; M152-M368 VanDerWaalsContact CE-CE 3.4Å; Y364-M368 HydrophobicContact CD1-CE 3.73Å; Y364-M368 HydrophobicContact CG-CE 4.17Å; Y364-M368 WeakPolarHBondContact O-CB 3.48Å; Y364-M368 WeakPolarHBondContact O-CG 3.28Å; Y364-M368 PolarHBondContact O-N 3.4Å; L366-M368 PolarHBondContact O-N 3.25Å; M368-L370 PolarHBondContact O-N 3.08Å; M368-P483 HydrophobicContact CE-CG 4.34Å; M368-P483 HydrophobicContact SD-CB 3.72Å; M368-P483 HydrophobicContact SD-CG 3.66Å; M368-L486 HydrophobicContact CB-CD1 4.03Å
369D81Confident85Confident25 Ų2522 Ų2213%0.13413%0.126CC..  trans-94.843.5-175.6-157.46.8000113.3L366 Q371 K372 F373 L486L366-D369 PolarHBondContact O-N 3.25Å; D369-Q371 VanDerWaalsContact C-N 3.35Å; D369-Q371 PolarHBondContact O-N 3.29Å; D369-K372 WeakPolarHBondContact OD1-CD 3.45Å; D369-K372 VanDerWaalsContact OD1-CE 3.28Å; D369-K372 WeakPolarHBondContact OD1-CE 3.42Å; D369-K372 WeakPolarHBondContact OD1-CG 3.45Å; D369-K372 IonicContact OD1-NZ 3.43Å; D369-K372 WeakPolarHBondContact OD2-CD 3.43Å; D369-K372 WeakPolarHBondContact OD2-CE 3.43Å; D369-K372 IonicContact OD2-NZ 3.6Å; D369-K372 PolarHBondContact OD2-NZ 2.93Å; D369-F373 WeakPolarHBondContact O-CD2 3.23Å; D369-F373 WeakPolarHBondContact O-CE2 3.32Å; D369-L486 HydrophobicContact CB-CD1 4.42Å; D369-L486 HydrophobicContact CB-CD2 4Å
370L78.8Confident84.8Confident4 Ų422 Ų222%0.02113%0.126CC..G310 helixtrans-68.5-28.2-172.3-61.1179.6000114.2N39 M368 K372 M380 Q381 F384N39-L370 HydrophobicContact CB-CD1 3.95Å; N39-L370 VanDerWaalsContact ND2-CD1 3.29Å; N39-L370 WeakPolarHBondContact ND2-CD1 3.34Å; M368-L370 PolarHBondContact O-N 3.08Å; L370-K372 VanDerWaalsContact C-N 3.27Å; L370-K372 PolarHBondContact O-N 3.41Å; L370-M380 HydrophobicContact CB-CG 4.45Å; L370-M380 HydrophobicContact CD2-CB 4.33Å; L370-M380 HydrophobicContact CD2-CG 3.73Å; L370-Q381 HydrophobicContact CD1-CB 4.08Å; L370-F384 HydrophobicContact CD2-CD2 3.47Å; L370-F384 VanDerWaalsContact CD2-CD2 3.47Å; L370-F384 HydrophobicContact CD2-CE2 3.43Å; L370-F384 VanDerWaalsContact CD2-CE2 3.43Å; L370-F384 HydrophobicContact CD2-CG 4.45Å; L370-F384 HydrophobicContact CD2-CZ 4.41Å
371Q74.8Confident84.6Confident66 Ų6622 Ų2231%0.30813%0.126SC..G310 helixtrans-73.4-13.7-172.3-70.9-169-60.700113.9I44 D369 I377I44-Q371 PolarHBondContact O-NE2 3.47Å; D369-Q371 VanDerWaalsContact C-N 3.35Å; D369-Q371 PolarHBondContact O-N 3.29Å; Q371-I377 HydrophobicContact CG-CG2 3.7Å
372K74.4Confident84.5Confident38 Ų3824.6 Ų24.617%0.16514%0.14CC..G310 helixtrans-80.9-12.5-176.7-77.1-169.9-167.8165.20115.1D369 L370 G374 R433 D489D369-K372 WeakPolarHBondContact OD1-CD 3.45Å; D369-K372 VanDerWaalsContact OD1-CE 3.28Å; D369-K372 WeakPolarHBondContact OD1-CE 3.42Å; D369-K372 WeakPolarHBondContact OD1-CG 3.45Å; D369-K372 IonicContact OD1-NZ 3.43Å; D369-K372 WeakPolarHBondContact OD2-CD 3.43Å; D369-K372 WeakPolarHBondContact OD2-CE 3.43Å; D369-K372 IonicContact OD2-NZ 3.6Å; D369-K372 PolarHBondContact OD2-NZ 2.93Å; L370-K372 VanDerWaalsContact C-N 3.27Å; L370-K372 PolarHBondContact O-N 3.41Å; K372-G374 PolarHBondContact O-N 3.47Å; K372-R433 PolarHBondContact O-NH1 3.06Å; K372-D489 VanDerWaalsContact CE-CG 3.48Å; K372-D489 WeakPolarHBondContact CE-OD1 3.45Å; K372-D489 IonicContact NZ-OD1 3.45Å; K372-D489 PolarHBondContact NZ-OD1 3.17Å; K372-D489 IonicContact NZ-OD2 3.19Å
373F71.1Confident84.4Confident11 Ų1127.1 Ų27.15%0.04815%0.152CC..G310 helixtrans-89.65.4-165.7-64.2-65.6000115.2D369 V375 M380 F384 R433 T434 A437D369-F373 WeakPolarHBondContact O-CD2 3.23Å; D369-F373 WeakPolarHBondContact O-CE2 3.32Å; F373-V375 PolarHBondContact O-N 3.13Å; F373-M380 HydrophobicContact CB-CE 4.22Å; F373-M380 HydrophobicContact CB-SD 3.84Å; F373-M380 HydrophobicContact CD2-CE 3.64Å; F373-M380 HydrophobicContact CD2-CG 4.29Å; F373-M380 HydrophobicContact CD2-SD 4.09Å; F373-M380 HydrophobicContact CE2-CE 4.16Å; F373-M380 HydrophobicContact CG-CE 3.87Å; F373-M380 HydrophobicContact CG-SD 4.13Å; F373-F384 HydrophobicContact CE2-CZ 4.49Å; F373-R433 HydrophobicContact CD1-CG 4.11Å; F373-R433 HydrophobicContact CE1-CG 4.33Å; F373-T434 PolarHBondContact O-OG1 3.19Å; F373-A437 HydrophobicContact CD1-CB 3.89Å; F373-A437 HydrophobicContact CE1-CB 3.28Å; F373-A437 HydrophobicContact CE2-CB 4.15Å; F373-A437 HydrophobicContact CZ-CB 3.42Å; F373-A437 VanDerWaalsContact CZ-CB 3.42Å
374G67.2Low84.4Confident48 Ų4826.4 Ų26.450%0.49515%0.15SC..SBendtrans68.4-7.6175.800000115K372K372-G374 PolarHBondContact O-N 3.47Å
375V79.7Confident84.4Confident43 Ų4325.7 Ų25.726%0.26115%0.147SC..SBendtrans-95.3154.8172.3-176.30000109.2F373 I377 L379 T434F373-V375 PolarHBondContact O-N 3.13Å; V375-I377 PolarHBondContact O-N 2.99Å; V375-L379 HydrophobicContact CG1-CB 4.06Å; V375-L379 HydrophobicContact CG1-CD2 3.7Å; V375-L379 HydrophobicContact CG1-CG 4.06Å; V375-T434 HydrophobicContact CG2-CG2 4.43Å
376S85.8Confident84.5Confident57 Ų5727.7 Ų27.740%0.39916%0.164SC..  trans-55.5138.3174.869.20000111.3Y378 L379 M380S376-Y378 PolarHBondContact O-N 3.04Å; S376-Y378 VanDerWaalsContact O-N 3.16Å; S376-L379 PolarHBondContact O-N 3.17Å; S376-L379 VanDerWaalsContact OG-CB 3.3Å; S376-L379 WeakPolarHBondContact OG-CB 3.41Å; S376-M380 PolarHBondContact O-N 3.16Å
377I87.6Confident84.7Confident4 Ų428.5 Ų28.52%0.02117%0.169CC..Hα-helixtrans-61.9-29.4-175.160.4151.1000112.7F40 F126 Q371 V375 Q381F40-I377 HydrophobicContact CD1-CD1 3.37Å; F40-I377 HydrophobicContact CD1-CG1 4.28Å; F40-I377 HydrophobicContact CE1-CD1 3.62Å; F40-I377 HydrophobicContact CE1-CG1 4.08Å; F40-I377 HydrophobicContact CG-CD1 4.37Å; F126-I377 HydrophobicContact CE1-CD1 3.62Å; F126-I377 HydrophobicContact CZ-CD1 3.37Å; F126-I377 HydrophobicContact CZ-CG1 4.11Å; Q371-I377 HydrophobicContact CG-CG2 3.7Å; V375-I377 PolarHBondContact O-N 2.99Å; I377-Q381 WeakPolarHBondContact O-CB 3.18Å; I377-Q381 PolarHBondContact O-N 3.18Å; I377-Q381 VanDerWaalsContact O-N 3.09Å
378Y89.8Confident84.8Confident19 Ų1928.6 Ų28.68%0.07517%0.169CC..Hα-helixtrans-67.2-48.1178.4-51.5-75.1000110.8F40 E125 A251 Y252 S376 Q381 I382F40-Y378 AromaticContact CD1-CD1 3.84Å; F40-Y378 HydrophobicContact CD1-CD1 3.84Å; F40-Y378 AromaticContact CD1-CE1 3.69Å; F40-Y378 HydrophobicContact CD1-CE1 3.69Å; F40-Y378 AromaticContact CE1-CD1 3.46Å; F40-Y378 HydrophobicContact CE1-CD1 3.46Å; F40-Y378 VanDerWaalsContact CE1-CD1 3.46Å; F40-Y378 AromaticContact CE1-CE1 3.83Å; F40-Y378 HydrophobicContact CE1-CE1 3.83Å; F40-Y378 HydrophobicContact CE1-CG 4.27Å; F40-Y378 HydrophobicContact CZ-CD1 4.5Å; E125-Y378 HydrophobicContact CG-CE2 4.28Å; E125-Y378 PolarHBondContact O-OH 2.96Å; E125-Y378 VanDerWaalsContact O-OH 3.12Å; A251-Y378 HydrophobicContact CB-CD1 3.99Å; A251-Y378 HydrophobicContact CB-CE1 3.75Å; A251-Y378 WeakPolarHBondContact O-CE1 3.24Å; Y252-Y378 HydrophobicContact CD2-CD2 4.02Å; Y252-Y378 HydrophobicContact CD2-CE2 4.41Å; Y252-Y378 HydrophobicContact CD2-CG 4.15Å; S376-Y378 PolarHBondContact O-N 3.04Å; S376-Y378 VanDerWaalsContact O-N 3.16Å; Y378-Q381 PolarHBondContact O-N 3.24Å; Y378-I382 WeakPolarHBondContact O-CG1 3.5Å; Y378-I382 PolarHBondContact O-N 2.81Å; Y378-I382 VanDerWaalsContact O-N 3.15Å
379L90Very high85.1Confident83 Ų8330 Ų3044%0.43518%0.177SC..Hα-helixtrans-66.6-41.7178.5-179.559.4000110.7V375 S376 Q381 I382 I383V375-L379 HydrophobicContact CG1-CB 4.06Å; V375-L379 HydrophobicContact CG1-CD2 3.7Å; V375-L379 HydrophobicContact CG1-CG 4.06Å; S376-L379 PolarHBondContact O-N 3.17Å; S376-L379 VanDerWaalsContact OG-CB 3.3Å; S376-L379 WeakPolarHBondContact OG-CB 3.41Å; L379-Q381 VanDerWaalsContact C-N 3.28Å; L379-Q381 PolarHBondContact O-N 3.1Å; L379-I382 PolarHBondContact O-N 3.44Å; L379-I382 VanDerWaalsContact O-N 3.14Å; L379-I383 HydrophobicContact CD1-CD1 4.23Å; L379-I383 HydrophobicContact CD1-CG1 4.26Å; L379-I383 HydrophobicContact CG-CD1 3.87Å; L379-I383 HydrophobicContact CG-CG1 4.37Å; L379-I383 VanDerWaalsContact O-CG1 3.3Å; L379-I383 WeakPolarHBondContact O-CG1 3.27Å; L379-I383 PolarHBondContact O-N 3.39Å
380M89.4Confident85.6Confident0 Ų032.4 Ų32.40%019%0.194CC..Hα-helixtrans-57.1-43.3176.9-165.570.7-161.600111.8L370 F373 S376 I383 F384 T434 A437L370-M380 HydrophobicContact CB-CG 4.45Å; L370-M380 HydrophobicContact CD2-CB 4.33Å; L370-M380 HydrophobicContact CD2-CG 3.73Å; F373-M380 HydrophobicContact CB-CE 4.22Å; F373-M380 HydrophobicContact CB-SD 3.84Å; F373-M380 HydrophobicContact CD2-CE 3.64Å; F373-M380 HydrophobicContact CD2-CG 4.29Å; F373-M380 HydrophobicContact CD2-SD 4.09Å; F373-M380 HydrophobicContact CE2-CE 4.16Å; F373-M380 HydrophobicContact CG-CE 3.87Å; F373-M380 HydrophobicContact CG-SD 4.13Å; S376-M380 PolarHBondContact O-N 3.16Å; M380-I383 PolarHBondContact O-N 3.43Å; M380-F384 HydrophobicContact CE-CD1 3.84Å; M380-F384 HydrophobicContact CE-CE1 3.15Å; M380-F384 HydrophobicContact CE-CE2 4.24Å; M380-F384 HydrophobicContact CE-CZ 3.38Å; M380-F384 WeakPolarHBondContact O-CB 3.32Å; M380-F384 PolarHBondContact O-N 3.06Å; M380-T434 HydrophobicContact CE-CG2 3.99Å; M380-T434 HydrophobicContact SD-CG2 3.72Å; M380-A437 HydrophobicContact CE-CB 4.32Å
381Q90.2Very high86.1Confident0 Ų032.5 Ų32.50%020%0.195CC..Hα-helixtrans-65.4-39.1177.4-175.971.8-20.700112.7F40 Q244 A248 L370 I377 Y378 L379 F384 G385F40-Q381 HydrophobicContact CE2-CB 4.4Å; F40-Q381 HydrophobicContact CE2-CG 3.98Å; F40-Q381 HydrophobicContact CZ-CB 3.72Å; F40-Q381 HydrophobicContact CZ-CG 3.78Å; Q244-Q381 HydrophobicContact CG-CG 4.25Å; Q244-Q381 VanDerWaalsContact NE2-OE1 3.16Å; A248-Q381 HydrophobicContact CB-CB 3.92Å; A248-Q381 HydrophobicContact CB-CG 3.8Å; L370-Q381 HydrophobicContact CD1-CB 4.08Å; I377-Q381 WeakPolarHBondContact O-CB 3.18Å; I377-Q381 PolarHBondContact O-N 3.18Å; I377-Q381 VanDerWaalsContact O-N 3.09Å; Y378-Q381 PolarHBondContact O-N 3.24Å; L379-Q381 VanDerWaalsContact C-N 3.28Å; L379-Q381 PolarHBondContact O-N 3.1Å; Q381-F384 PolarHBondContact O-N 3.02Å; Q381-G385 PolarHBondContact O-N 3.22Å
382I92.4Very high86.7Confident63 Ų6330.5 Ų30.532%0.32319%0.185SC..Hα-helixtrans-63.9-45.8174.8-68.4172.5000110.2M245 A248 Y378 L379 F384 G385 A386M245-I382 HydrophobicContact CE-CG2 4.36Å; A248-I382 HydrophobicContact CB-CD1 4.29Å; A248-I382 HydrophobicContact CB-CG1 3.62Å; Y378-I382 WeakPolarHBondContact O-CG1 3.5Å; Y378-I382 PolarHBondContact O-N 2.81Å; Y378-I382 VanDerWaalsContact O-N 3.15Å; L379-I382 PolarHBondContact O-N 3.44Å; L379-I382 VanDerWaalsContact O-N 3.14Å; I382-F384 VanDerWaalsContact C-N 3.34Å; I382-F384 PolarHBondContact O-N 2.83Å; I382-G385 PolarHBondContact O-N 3.35Å; I382-A386 WeakPolarHBondContact O-CB 3.24Å; I382-A386 PolarHBondContact O-N 3.2Å
383I91.4Very high87.3Confident52 Ų5234.5 Ų34.527%0.26720%0.203SC..Hα-helixtrans-60.6-46.6178.3-65166.3000109.8L379 M380 G385 A386 V387 C438L379-I383 HydrophobicContact CD1-CD1 4.23Å; L379-I383 HydrophobicContact CD1-CG1 4.26Å; L379-I383 HydrophobicContact CG-CD1 3.87Å; L379-I383 HydrophobicContact CG-CG1 4.37Å; L379-I383 VanDerWaalsContact O-CG1 3.3Å; L379-I383 WeakPolarHBondContact O-CG1 3.27Å; L379-I383 PolarHBondContact O-N 3.39Å; M380-I383 PolarHBondContact O-N 3.43Å; I383-G385 PolarHBondContact O-N 3.49Å; I383-A386 PolarHBondContact O-N 2.77Å; I383-V387 HydrophobicContact CG2-CG2 4.18Å; I383-V387 WeakPolarHBondContact O-CB 3.33Å; I383-V387 WeakPolarHBondContact O-CG2 3.16Å; I383-V387 PolarHBondContact O-N 2.7Å; I383-C438 HydrophobicContact CG2-CB 4.46Å; I383-C438 WeakPolarHBondContact CG2-SG 3.29Å
384F90.1Very high88.2Confident0 Ų038.2 Ų38.20%022%0.223CC..Hα-helixtrans-58.9-45.5175.1-85.16.7000112.1L366 L370 F373 M380 Q381 I382 V387 D388 C438 K441L366-F384 WeakPolarHBondContact O-CE2 3.43Å; L370-F384 HydrophobicContact CD2-CD2 3.47Å; L370-F384 VanDerWaalsContact CD2-CD2 3.47Å; L370-F384 HydrophobicContact CD2-CE2 3.43Å; L370-F384 VanDerWaalsContact CD2-CE2 3.43Å; L370-F384 HydrophobicContact CD2-CG 4.45Å; L370-F384 HydrophobicContact CD2-CZ 4.41Å; F373-F384 HydrophobicContact CE2-CZ 4.49Å; M380-F384 HydrophobicContact CE-CD1 3.84Å; M380-F384 HydrophobicContact CE-CE1 3.15Å; M380-F384 HydrophobicContact CE-CE2 4.24Å; M380-F384 HydrophobicContact CE-CZ 3.38Å; M380-F384 WeakPolarHBondContact O-CB 3.32Å; M380-F384 PolarHBondContact O-N 3.06Å; Q381-F384 PolarHBondContact O-N 3.02Å; I382-F384 VanDerWaalsContact C-N 3.34Å; I382-F384 PolarHBondContact O-N 2.83Å; F384-V387 PolarHBondContact O-N 3.49Å; F384-D388 PolarHBondContact O-N 3.37Å; F384-C438 HydrophobicContact CE1-CB 4.5Å; F384-K441 HydrophobicContact CB-CD 4.12Å; F384-K441 HydrophobicContact CD1-CB 4.38Å; F384-K441 HydrophobicContact CD1-CD 4.09Å; F384-K441 HydrophobicContact CD1-CG 4.21Å; F384-K441 HydrophobicContact CD2-CD 4.38Å; F384-K441 HydrophobicContact CD2-CG 4.23Å; F384-K441 HydrophobicContact CE1-CB 4.06Å; F384-K441 HydrophobicContact CE1-CG 4.22Å; F384-K441 HydrophobicContact CE2-CG 4.29Å; F384-K441 HydrophobicContact CG-CD 3.95Å; F384-K441 HydrophobicContact CG-CG 4.19Å; F384-K441 HydrophobicContact CZ-CB 4.29Å; F384-K441 HydrophobicContact CZ-CG 4.29Å; F384-K441 PolarHBondContact O-NZ 3.03Å
385G90.1Very high89.1Confident0 Ų035.9 Ų35.90%020%0.199CC..Hα-helixtrans-59.3-48.6174.400000112.2T241 Q381 I382 I383 V387 D388T241-G385 WeakPolarHBondContact CG2-O 3.5Å; Q381-G385 PolarHBondContact O-N 3.22Å; I382-G385 PolarHBondContact O-N 3.35Å; I383-G385 PolarHBondContact O-N 3.49Å; G385-V387 VanDerWaalsContact C-N 3.32Å; G385-V387 PolarHBondContact O-N 3.34Å; G385-D388 PolarHBondContact O-N 3.29Å
386A92.1Very high89.4Confident42 Ų4236.3 Ų36.335%0.34720%0.2SC..Hα-helixtrans-61-39.2-178.900000112.5I382 I383 D388 I389 P390I382-A386 WeakPolarHBondContact O-CB 3.24Å; I382-A386 PolarHBondContact O-N 3.2Å; I383-A386 PolarHBondContact O-N 2.77Å; A386-D388 VanDerWaalsContact C-N 3.31Å; A386-D388 PolarHBondContact O-N 3Å; A386-I389 PolarHBondContact O-N 3.19Å; A386-P390 WeakPolarHBondContact O-CD 3.49Å
387V92.1Very high89.4Confident31 Ų3134.9 Ų34.919%0.18819%0.194CC..Hα-helixtrans-68.1-25.2179.9168.20000113.1I383 F384 G385 I389 P390 A391 C438 A442I383-V387 HydrophobicContact CG2-CG2 4.18Å; I383-V387 WeakPolarHBondContact O-CB 3.33Å; I383-V387 WeakPolarHBondContact O-CG2 3.16Å; I383-V387 PolarHBondContact O-N 2.7Å; F384-V387 PolarHBondContact O-N 3.49Å; G385-V387 VanDerWaalsContact C-N 3.32Å; G385-V387 PolarHBondContact O-N 3.34Å; V387-I389 VanDerWaalsContact C-N 3.26Å; V387-I389 PolarHBondContact O-N 3.47Å; V387-P390 VanDerWaalsContact O-CD 3.28Å; V387-P390 WeakPolarHBondContact O-CD 3.28Å; V387-P390 WeakPolarHBondContact O-CG 3.07Å; V387-A391 VanDerWaalsContact O-CB 3.25Å; V387-A391 WeakPolarHBondContact O-CB 3.3Å; V387-A391 PolarHBondContact O-N 3.48Å; V387-C438 HydrophobicContact CG2-CB 4.33Å; V387-A442 HydrophobicContact CG1-CB 3.4Å; V387-A442 VanDerWaalsContact CG1-CB 3.4Å
388D88.4Confident89.4Confident1 Ų136.2 Ų36.21%0.00520%0.2CC..Hα-helixtrans-65.2-30.4176.1-83.6-10.2000112.7T241 Y363 F384 G385 A386 K392 K441 S445T241-D388 HydrophobicContact CG2-CB 4.03Å; Y363-D388 PolarHBondContact OH-OD2 3Å; F384-D388 PolarHBondContact O-N 3.37Å; G385-D388 PolarHBondContact O-N 3.29Å; A386-D388 VanDerWaalsContact C-N 3.31Å; A386-D388 PolarHBondContact O-N 3Å; D388-K392 WeakPolarHBondContact O-CB 3.03Å; D388-K392 WeakPolarHBondContact O-CD 3.28Å; D388-K392 WeakPolarHBondContact O-CG 3.19Å; D388-K392 PolarHBondContact O-N 3.15Å; D388-K441 IonicContact OD1-NZ 2.89Å; D388-K441 PolarHBondContact OD1-NZ 3.39Å; D388-K441 IonicContact OD2-NZ 3.25Å; D388-K441 PolarHBondContact OD2-NZ 3.29Å; D388-S445 VanDerWaalsContact CG-OG 3.32Å; D388-S445 WeakPolarHBondContact OD1-CB 3.19Å; D388-S445 PolarHBondContact OD1-OG 3.26Å
389I90.1Very high89.3Confident44 Ų4435.6 Ų35.623%0.22620%0.198CC..Hα-helixtrans-63.1-60.7-179.3-61.2177.6000111.1F238 T241 A386 V387 A391 K392 F393F238-I389 HydrophobicContact CD1-CG1 4.48Å; F238-I389 HydrophobicContact CE1-CG1 4.41Å; F238-I389 HydrophobicContact CE1-CG2 4.07Å; T241-I389 HydrophobicContact CG2-CD1 4.28Å; T241-I389 HydrophobicContact CG2-CG1 3.78Å; A386-I389 PolarHBondContact O-N 3.19Å; V387-I389 VanDerWaalsContact C-N 3.26Å; V387-I389 PolarHBondContact O-N 3.47Å; I389-A391 VanDerWaalsContact C-N 3.3Å; I389-A391 PolarHBondContact O-N 3.47Å; I389-K392 PolarHBondContact O-N 3.25Å; I389-F393 HydrophobicContact CG2-CD2 4.2Å; I389-F393 HydrophobicContact CG2-CE2 3.9Å; I389-F393 VanDerWaalsContact O-CD2 3.24Å; I389-F393 WeakPolarHBondContact O-CD2 3.31Å; I389-F393 PolarHBondContact O-N 2.92Å
390P91.6Very high89Confident75 Ų7535.4 Ų35.449%0.48720%0.204SC..Hα-helixtrans-65.1-33.7178.526.9-34.1000111.9A386 V387 K392 F393 L394A386-P390 WeakPolarHBondContact O-CD 3.49Å; V387-P390 VanDerWaalsContact O-CD 3.28Å; V387-P390 WeakPolarHBondContact O-CD 3.28Å; V387-P390 WeakPolarHBondContact O-CG 3.07Å; P390-K392 VanDerWaalsContact C-N 3.3Å; P390-K392 PolarHBondContact O-N 2.94Å; P390-F393 PolarHBondContact O-N 3.43Å; P390-L394 WeakPolarHBondContact O-CB 3.21Å; P390-L394 PolarHBondContact O-N 3.18Å
391A90.4Very high88.9Confident5 Ų545.2 Ų45.24%0.04124%0.242CC..Hα-helixtrans-59.7-39.7176.500000112.4V387 I389 L394 A395 A442V387-A391 VanDerWaalsContact O-CB 3.25Å; V387-A391 WeakPolarHBondContact O-CB 3.3Å; V387-A391 PolarHBondContact O-N 3.48Å; I389-A391 VanDerWaalsContact C-N 3.3Å; I389-A391 PolarHBondContact O-N 3.47Å; A391-L394 PolarHBondContact O-N 3.15Å; A391-A395 WeakPolarHBondContact O-CB 3.34Å; A391-A395 PolarHBondContact O-N 2.89Å; A391-A442 HydrophobicContact CB-CB 4.07Å; A391-A442 WeakPolarHBondContact CB-O 3.47Å
392K86.6Confident88.7Confident24 Ų2449.7 Ų49.710%0.10427%0.266CS..Hα-helixtrans-66.6-43.5176.1-75166.3-178.7173.60112.3S237 T241 D388 I389 P390 A395 L396S237-K392 PolarHBondContact O-NZ 3.14Å; T241-K392 PolarHBondContact OG1-NZ 3.49Å; D388-K392 WeakPolarHBondContact O-CB 3.03Å; D388-K392 WeakPolarHBondContact O-CD 3.28Å; D388-K392 WeakPolarHBondContact O-CG 3.19Å; D388-K392 PolarHBondContact O-N 3.15Å; I389-K392 PolarHBondContact O-N 3.25Å; P390-K392 VanDerWaalsContact C-N 3.3Å; P390-K392 PolarHBondContact O-N 2.94Å; K392-A395 PolarHBondContact O-N 3.05Å; K392-L396 WeakPolarHBondContact O-CG 3.37Å; K392-L396 PolarHBondContact O-N 3.3Å
393F88.3Confident88.5Confident122 Ų12246.7 Ų46.754%0.53525%0.25SS..Hα-helixtrans-63.6-43175.6-75.4-68.8000111.9F238 I389 P390 A395 L396 G397F238-F393 HydrophobicContact CE1-CE2 4.2Å; F238-F393 HydrophobicContact CE2-CZ 4.47Å; F238-F393 HydrophobicContact CZ-CE1 4.49Å; F238-F393 AromaticContact CZ-CE2 3.79Å; F238-F393 HydrophobicContact CZ-CE2 3.79Å; F238-F393 AromaticContact CZ-CZ 3.69Å; F238-F393 HydrophobicContact CZ-CZ 3.69Å; I389-F393 HydrophobicContact CG2-CD2 4.2Å; I389-F393 HydrophobicContact CG2-CE2 3.9Å; I389-F393 VanDerWaalsContact O-CD2 3.24Å; I389-F393 WeakPolarHBondContact O-CD2 3.31Å; I389-F393 PolarHBondContact O-N 2.92Å; P390-F393 PolarHBondContact O-N 3.43Å; F393-A395 VanDerWaalsContact C-N 3.34Å; F393-A395 PolarHBondContact O-N 2.89Å; F393-L396 PolarHBondContact O-N 3Å; F393-G397 PolarHBondContact O-N 3.06Å
394L88.9Confident88.4Confident89 Ų8946.4 Ų46.447%0.46625%0.246SC..Hα-helixtrans-59.2-46.3174.7-18063.2000111P390 A391 L396 G397 M398P390-L394 WeakPolarHBondContact O-CB 3.21Å; P390-L394 PolarHBondContact O-N 3.18Å; A391-L394 PolarHBondContact O-N 3.15Å; L394-L396 PolarHBondContact O-N 3.48Å; L394-G397 PolarHBondContact O-N 3.22Å; L394-M398 HydrophobicContact CD1-CG 4.17Å; L394-M398 HydrophobicContact CD1-SD 4.22Å; L394-M398 HydrophobicContact CD2-SD 4.48Å; L394-M398 HydrophobicContact CG-CG 4.35Å; L394-M398 HydrophobicContact CG-SD 3.96Å; L394-M398 WeakPolarHBondContact O-CB 3.46Å; L394-M398 VanDerWaalsContact O-CG 3.29Å; L394-M398 WeakPolarHBondContact O-CG 3.25Å; L394-M398 PolarHBondContact O-N 2.68Å
395A86.8Confident88.5Confident0 Ų051.3 Ų51.30%026%0.264CS..Hα-helixtrans-58.5-4617700000112A391 K392 F393 G397 M398 L399 A446A391-A395 WeakPolarHBondContact O-CB 3.34Å; A391-A395 PolarHBondContact O-N 2.89Å; K392-A395 PolarHBondContact O-N 3.05Å; F393-A395 VanDerWaalsContact C-N 3.34Å; F393-A395 PolarHBondContact O-N 2.89Å; A395-G397 VanDerWaalsContact C-N 3.34Å; A395-G397 PolarHBondContact O-N 3.08Å; A395-M398 PolarHBondContact O-N 2.89Å; A395-L399 WeakPolarHBondContact O-CB 3.48Å; A395-L399 WeakPolarHBondContact O-CG 3.28Å; A395-L399 PolarHBondContact O-N 3.07Å; A395-A446 HydrophobicContact CB-CB 3.88Å
396L85.8Confident88.6Confident52 Ų5254.8 Ų54.827%0.27229%0.286SS..Hα-helixtrans-62.2-40.1177.4-70172.9000112.5K392 F393 L394 S400 L453K392-L396 WeakPolarHBondContact O-CG 3.37Å; K392-L396 PolarHBondContact O-N 3.3Å; F393-L396 PolarHBondContact O-N 3Å; L394-L396 PolarHBondContact O-N 3.48Å; L396-S400 PolarHBondContact O-N 3.11Å; L396-S400 PolarHBondContact O-OG 3.24Å; L396-L453 HydrophobicContact CD2-CD1 4.42Å
397G86.3Confident88.7Confident27 Ų2752.8 Ų52.828%0.27827%0.269SS..Hα-helixtrans-62.7-52.5173.500000111.7F393 L394 A395 L399 S400 Y401F393-G397 PolarHBondContact O-N 3.06Å; L394-G397 PolarHBondContact O-N 3.22Å; A395-G397 VanDerWaalsContact C-N 3.34Å; A395-G397 PolarHBondContact O-N 3.08Å; G397-L399 VanDerWaalsContact C-N 3.3Å; G397-L399 PolarHBondContact O-N 3.27Å; G397-S400 WeakPolarHBondContact O-CB 3.03Å; G397-S400 PolarHBondContact O-N 3.26Å; G397-Y401 WeakPolarHBondContact O-CD2 3.09Å; G397-Y401 PolarHBondContact O-N 3.19Å; G397-Y401 VanDerWaalsContact O-N 3.09Å
398M87.7Confident88.8Confident31 Ų3151.3 Ų51.315%0.15326%0.26CS..Hα-helixtrans-58.1-41.8179.6-69.2-179.873.300112L394 A395 S400 Y401 L402 T407 S410L394-M398 HydrophobicContact CD1-CG 4.17Å; L394-M398 HydrophobicContact CD1-SD 4.22Å; L394-M398 HydrophobicContact CD2-SD 4.48Å; L394-M398 HydrophobicContact CG-CG 4.35Å; L394-M398 HydrophobicContact CG-SD 3.96Å; L394-M398 WeakPolarHBondContact O-CB 3.46Å; L394-M398 VanDerWaalsContact O-CG 3.29Å; L394-M398 WeakPolarHBondContact O-CG 3.25Å; L394-M398 PolarHBondContact O-N 2.68Å; A395-M398 PolarHBondContact O-N 2.89Å; M398-S400 PolarHBondContact O-N 3.34Å; M398-Y401 PolarHBondContact O-N 3.3Å; M398-L402 HydrophobicContact CB-CD1 4.14Å; M398-L402 HydrophobicContact CE-CD1 3.85Å; M398-L402 HydrophobicContact CG-CD1 4.05Å; M398-L402 WeakPolarHBondContact O-CA 3.47Å; M398-L402 WeakPolarHBondContact O-CB 3.14Å; M398-L402 PolarHBondContact O-N 3.27Å; M398-T407 VanDerWaalsContact C-OG1 3.26Å; M398-T407 HydrophobicContact CB-CG2 3.66Å; M398-T407 WeakPolarHBondContact CB-OG1 3.28Å; M398-T407 HydrophobicContact CE-CG2 4.3Å; M398-T407 PolarHBondContact O-OG1 3.42Å; M398-T407 HydrophobicContact SD-CG2 4.47Å; M398-S410 WeakPolarHBondContact CE-OG 3.38Å
399L86.6Confident89.1Confident7 Ų752.7 Ų52.74%0.03727%0.268CS..Hα-helixtrans-59.8-33.1176.1-77.9171000113.8A395 G397 R404 T407 T450 L453A395-L399 WeakPolarHBondContact O-CB 3.48Å; A395-L399 WeakPolarHBondContact O-CG 3.28Å; A395-L399 PolarHBondContact O-N 3.07Å; G397-L399 VanDerWaalsContact C-N 3.3Å; G397-L399 PolarHBondContact O-N 3.27Å; L399-R404 HydrophobicContact CD2-CB 4.19Å; L399-R404 HydrophobicContact CD2-CG 3.74Å; L399-R404 PolarHBondContact O-NH1 2.95Å; L399-T407 HydrophobicContact CD2-CG2 4.3Å; L399-T407 HydrophobicContact CG-CG2 4.31Å; L399-T450 HydrophobicContact CD2-CG2 3.56Å; L399-T450 HydrophobicContact CG-CG2 4.41Å; L399-L453 HydrophobicContact CD1-CD1 3.61Å
400S84Confident89.3Confident79 Ų7952.4 Ų52.455%0.55227%0.271SS*.Hα-helixtrans-80.6-37.4-178-55.60000112.1L396 G397 M398L396-S400 PolarHBondContact O-N 3.11Å; L396-S400 PolarHBondContact O-OG 3.24Å; G397-S400 WeakPolarHBondContact O-CB 3.03Å; G397-S400 PolarHBondContact O-N 3.26Å; M398-S400 PolarHBondContact O-N 3.34Å
401Y86Confident89.5Confident205 Ų20548.9 Ų48.980%0.80425%0.247SC*.Hα-helixtrans-98-43.8-175.3-67.5-73.4000114.5G397 M398G397-Y401 WeakPolarHBondContact O-CD2 3.09Å; G397-Y401 PolarHBondContact O-N 3.19Å; G397-Y401 VanDerWaalsContact O-N 3.09Å; M398-Y401 PolarHBondContact O-N 3.3Å
402L87.1Confident89.7Confident94 Ų9448.6 Ų48.649%0.49225%0.245SC..THydrogen-bonded Turntrans-95.2-13.4-172.3-65.8162.1000113.2M398 V406M398-L402 HydrophobicContact CB-CD1 4.14Å; M398-L402 HydrophobicContact CE-CD1 3.85Å; M398-L402 HydrophobicContact CG-CD1 4.05Å; M398-L402 WeakPolarHBondContact O-CA 3.47Å; M398-L402 WeakPolarHBondContact O-CB 3.14Å; M398-L402 PolarHBondContact O-N 3.27Å; L402-V406 HydrophobicContact CB-CB 4.48Å; L402-V406 HydrophobicContact CB-CG1 4.38Å
403G87.2Confident90.1Very high0 Ų052.6 Ų52.60%026%0.263CS..  trans86.1169.9-17300000113.4T407G403-T407 VanDerWaalsContact O-CB 3.27Å; G403-T407 WeakPolarHBondContact O-CB 3.46Å; G403-T407 PolarHBondContact O-N 3.39Å; G403-T407 PolarHBondContact O-OG1 2.9Å
404R89.3Confident90.5Very high46 Ų4650 Ų5017%0.17425%0.254CS..Hα-helixtrans-77.2-40.4-170.9-73.463.4165159.3-4.9111.6L399 Q408 Y454 E457 E516 T517L399-R404 HydrophobicContact CD2-CB 4.19Å; L399-R404 HydrophobicContact CD2-CG 3.74Å; L399-R404 PolarHBondContact O-NH1 2.95Å; R404-Q408 WeakPolarHBondContact O-CB 3.4Å; R404-Q408 PolarHBondContact O-N 2.88Å; R404-Y454 HydrophobicContact CB-CD1 4.39Å; R404-Y454 HydrophobicContact CB-CD2 3.59Å; R404-Y454 HydrophobicContact CB-CE2 3.8Å; R404-Y454 HydrophobicContact CB-CG 3.91Å; R404-Y454 HydrophobicContact CG-CD2 4.08Å; R404-Y454 HydrophobicContact CG-CG 4.47Å; R404-E457 WeakPolarHBondContact CG-OE2 3.48Å; R404-E457 IonicContact CZ-OE1 2.64Å; R404-E457 IonicContact CZ-OE2 3.68Å; R404-E457 IonicContact NE-OE1 3.43Å; R404-E457 PolarHBondContact NE-OE1 3.38Å; R404-E457 IonicContact NE-OE2 3.5Å; R404-E457 PolarHBondContact NE-OE2 3.2Å; R404-E457 IonicContact NH2-OE1 3.43Å; R404-E457 PolarHBondContact NH2-OE1 2.96Å; R404-E457 IonicContact NH2-OE2 3.18Å; R404-E516 PolarHBondContact N-OE1 3.33Å; R404-E516 PolarHBondContact N-OE2 3.28Å; R404-T517 WeakPolarHBondContact CD-OG1 3.5Å; R404-T517 WeakPolarHBondContact CG-OG1 3.38Å
405R92.6Very high90.8Very high103 Ų10345.8 Ų45.839%0.38923%0.232SC..Hα-helixtrans-66.5-51.7-177-176.5-170174.8-155.6-5110.7T407 Q408 V409 C512 L514 E516R405-T407 VanDerWaalsContact C-N 3.32Å; R405-T407 PolarHBondContact O-N 3.23Å; R405-Q408 PolarHBondContact O-N 3.21Å; R405-V409 VanDerWaalsContact O-CG2 3.31Å; R405-V409 WeakPolarHBondContact O-CG2 3.24Å; R405-V409 PolarHBondContact O-N 2.87Å; R405-C512 VanDerWaalsContact CZ-O 3.22Å; R405-C512 PolarHBondContact NE-O 2.86Å; R405-C512 PolarHBondContact NH2-O 3.1Å; R405-L514 WeakPolarHBondContact CD-O 3.47Å; R405-L514 PolarHBondContact NE-O 2.66Å; R405-E516 HydrophobicContact CB-CB 4.47Å; R405-E516 WeakPolarHBondContact CB-OE2 3Å; R405-E516 PolarHBondContact N-OE2 2.63Å
406V93Very high91.1Very high74 Ų7445.9 Ų45.945%0.44823%0.233SC..Hα-helixtrans-62.3-43.1-179.4-179.30000110.4L402 Q408 V409 S410L402-V406 HydrophobicContact CB-CB 4.48Å; L402-V406 HydrophobicContact CB-CG1 4.38Å; V406-Q408 PolarHBondContact O-N 2.73Å; V406-V409 PolarHBondContact O-N 3.4Å; V406-S410 WeakPolarHBondContact O-CB 3.41Å; V406-S410 PolarHBondContact O-N 3.06Å; V406-S410 PolarHBondContact O-OG 3.49Å
407T93.4Very high91.6Very high0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-59.1-48.5175.7-58.60000111.3M398 L399 G403 R405 V409 S410 C411 T450M398-T407 VanDerWaalsContact C-OG1 3.26Å; M398-T407 HydrophobicContact CB-CG2 3.66Å; M398-T407 WeakPolarHBondContact CB-OG1 3.28Å; M398-T407 HydrophobicContact CE-CG2 4.3Å; M398-T407 PolarHBondContact O-OG1 3.42Å; M398-T407 HydrophobicContact SD-CG2 4.47Å; L399-T407 HydrophobicContact CD2-CG2 4.3Å; L399-T407 HydrophobicContact CG-CG2 4.31Å; G403-T407 VanDerWaalsContact O-CB 3.27Å; G403-T407 WeakPolarHBondContact O-CB 3.46Å; G403-T407 PolarHBondContact O-N 3.39Å; G403-T407 PolarHBondContact O-OG1 2.9Å; R405-T407 VanDerWaalsContact C-N 3.32Å; R405-T407 PolarHBondContact O-N 3.23Å; T407-V409 PolarHBondContact O-N 3.49Å; T407-S410 WeakPolarHBondContact CA-OG 3.49Å; T407-S410 PolarHBondContact O-N 3.22Å; T407-S410 PolarHBondContact O-OG 3.23Å; T407-C411 WeakPolarHBondContact O-CB 3.48Å; T407-C411 PolarHBondContact O-N 3.07Å; T407-C411 PolarHBondContact O-SG 3.1Å; T407-T450 HydrophobicContact CG2-CG2 4.12Å; T407-T450 WeakPolarHBondContact CG2-OG1 3.45Å
408Q94.4Very high92Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-64-45.1-178.5-171.36310.600112.9V355 R404 R405 V406 L412 S447 T450 A511V355-Q408 HydrophobicContact CG1-CG 4.15Å; R404-Q408 WeakPolarHBondContact O-CB 3.4Å; R404-Q408 PolarHBondContact O-N 2.88Å; R405-Q408 PolarHBondContact O-N 3.21Å; V406-Q408 PolarHBondContact O-N 2.73Å; Q408-L412 HydrophobicContact CG-CD1 4.37Å; Q408-L412 PolarHBondContact O-N 2.69Å; Q408-S447 PolarHBondContact NE2-OG 3.48Å; Q408-S447 PolarHBondContact OE1-O 3.39Å; Q408-T450 HydrophobicContact CB-CG2 3.96Å; Q408-T450 VanDerWaalsContact OE1-CB 3.27Å; Q408-A511 HydrophobicContact CG-CB 4.12Å
409V95.6Very high92.2Very high29 Ų2945.5 Ų45.518%0.17622%0.224CC..Hα-helixtrans-63.3-48.5178.5170.40000110.5R405 V406 T407 L412 F413 S508 A511R405-V409 VanDerWaalsContact O-CG2 3.31Å; R405-V409 WeakPolarHBondContact O-CG2 3.24Å; R405-V409 PolarHBondContact O-N 2.87Å; V406-V409 PolarHBondContact O-N 3.4Å; T407-V409 PolarHBondContact O-N 3.49Å; V409-L412 PolarHBondContact O-N 3.02Å; V409-F413 VanDerWaalsContact O-CB 3.23Å; V409-F413 WeakPolarHBondContact O-CB 3.45Å; V409-F413 PolarHBondContact O-N 3.41Å; V409-S508 WeakPolarHBondContact CG1-OG 3Å; V409-S508 PolarHBondContact O-OG 3.12Å; V409-S508 VanDerWaalsContact O-OG 3.1Å; V409-A511 HydrophobicContact CG2-CB 3.71Å
410S94.6Very high92.5Very high39 Ų3948.3 Ų48.327%0.27324%0.236SC..Hα-helixtrans-63.9-45.2-177.963.50000112M398 V406 T407 L412 F413 L414M398-S410 WeakPolarHBondContact CE-OG 3.38Å; V406-S410 WeakPolarHBondContact O-CB 3.41Å; V406-S410 PolarHBondContact O-N 3.06Å; V406-S410 PolarHBondContact O-OG 3.49Å; T407-S410 WeakPolarHBondContact CA-OG 3.49Å; T407-S410 PolarHBondContact O-N 3.22Å; T407-S410 PolarHBondContact O-OG 3.23Å; S410-L412 PolarHBondContact O-N 2.87Å; S410-F413 PolarHBondContact O-N 3.43Å; S410-L414 WeakPolarHBondContact O-CB 3.28Å; S410-L414 PolarHBondContact O-N 2.94Å
411C94.6Very high92.9Very high0 Ų046.5 Ų46.50%023%0.226CC..Hα-helixtrans-61.9-43.7177.3-67.50000112.4T407 S415T407-C411 WeakPolarHBondContact O-CB 3.48Å; T407-C411 PolarHBondContact O-N 3.07Å; T407-C411 PolarHBondContact O-SG 3.1Å; C411-S415 VanDerWaalsContact O-CB 3.29Å; C411-S415 WeakPolarHBondContact O-CB 3.46Å; C411-S415 PolarHBondContact O-N 3.29Å; C411-S415 PolarHBondContact O-OG 3.4Å
412L94.7Very high93.1Very high0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-71-39.3179.4-77.9174000112.9V355 Q408 V409 S410 S415 A416 S447 A504 A507V355-L412 HydrophobicContact CG1-CD1 4.12Å; Q408-L412 HydrophobicContact CG-CD1 4.37Å; Q408-L412 PolarHBondContact O-N 2.69Å; V409-L412 PolarHBondContact O-N 3.02Å; S410-L412 PolarHBondContact O-N 2.87Å; L412-S415 PolarHBondContact O-OG 3.27Å; L412-A416 WeakPolarHBondContact O-CB 3.33Å; L412-A416 PolarHBondContact O-N 3.2Å; L412-A416 VanDerWaalsContact O-N 3.12Å; L412-S447 WeakPolarHBondContact CD2-OG 3.35Å; L412-S447 WeakPolarHBondContact CG-OG 3.41Å; L412-A504 HydrophobicContact CD2-CB 4.44Å; L412-A507 HydrophobicContact CD1-CB 3.98Å
413F95.8Very high93.2Very high108 Ų10835.8 Ų35.847%0.47418%0.183SC..Hα-helixtrans-69.5-44.7179.3-172.8-115.2000111.3V409 S410 A416 I417V409-F413 VanDerWaalsContact O-CB 3.23Å; V409-F413 WeakPolarHBondContact O-CB 3.45Å; V409-F413 PolarHBondContact O-N 3.41Å; S410-F413 PolarHBondContact O-N 3.43Å; F413-A416 WeakPolarHBondContact O-CB 3.28Å; F413-A416 PolarHBondContact O-N 3.36Å; F413-I417 HydrophobicContact CD1-CD1 3.65Å; F413-I417 HydrophobicContact CE1-CD1 3.33Å; F413-I417 HydrophobicContact CE1-CG1 4.33Å; F413-I417 HydrophobicContact CE2-CD1 4.45Å; F413-I417 HydrophobicContact CG-CD1 4.36Å; F413-I417 HydrophobicContact CZ-CD1 3.77Å; F413-I417 HydrophobicContact CZ-CG1 4.38Å; F413-I417 WeakPolarHBondContact O-CG1 3.32Å; F413-I417 PolarHBondContact O-N 3.49Å
414L95.3Very high93.2Very high68 Ų6844.1 Ų44.136%0.35622%0.219SC..Hα-helixtrans-68.1-37.2179.4-168.456.3000111.7S410 A416 I417 I418 F443S410-L414 WeakPolarHBondContact O-CB 3.28Å; S410-L414 PolarHBondContact O-N 2.94Å; L414-A416 VanDerWaalsContact C-N 3.34Å; L414-A416 PolarHBondContact O-N 3.4Å; L414-I417 PolarHBondContact O-N 2.99Å; L414-I418 HydrophobicContact CD1-CD1 4.37Å; L414-I418 HydrophobicContact CG-CD1 4.02Å; L414-I418 WeakPolarHBondContact O-CB 3.36Å; L414-I418 WeakPolarHBondContact O-CD1 3.39Å; L414-I418 VanDerWaalsContact O-CG1 3.23Å; L414-I418 WeakPolarHBondContact O-CG1 3.37Å; L414-I418 PolarHBondContact O-N 3.3Å; L414-F443 HydrophobicContact CD2-CD1 4.15Å; L414-F443 HydrophobicContact CD2-CD2 4.23Å; L414-F443 HydrophobicContact CD2-CE1 3.52Å; L414-F443 HydrophobicContact CD2-CE2 3.62Å; L414-F443 HydrophobicContact CD2-CG 4.48Å; L414-F443 HydrophobicContact CD2-CZ 3.23Å; L414-F443 HydrophobicContact CG-CD2 4.12Å; L414-F443 HydrophobicContact CG-CE1 4.36Å; L414-F443 HydrophobicContact CG-CE2 3.87Å; L414-F443 HydrophobicContact CG-CG 4.49Å; L414-F443 HydrophobicContact CG-CZ 4.01Å
415S95.1Very high93.1Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-61.8-42.4172.371.30000111.8C411 L412 I418 I419C411-S415 VanDerWaalsContact O-CB 3.29Å; C411-S415 WeakPolarHBondContact O-CB 3.46Å; C411-S415 PolarHBondContact O-N 3.29Å; C411-S415 PolarHBondContact O-OG 3.4Å; L412-S415 PolarHBondContact O-OG 3.27Å; S415-I418 PolarHBondContact O-N 2.92Å; S415-I419 WeakPolarHBondContact O-CD1 3.46Å; S415-I419 WeakPolarHBondContact O-CG1 3.01Å; S415-I419 PolarHBondContact O-N 3.47Å
416A95Very high92.5Very high1 Ų141 Ų411%0.00822%0.218CC..Hα-helixtrans-62.8-46.1176.900000112.6L412 F413 L414 I418 I419 F420 A504 V505L412-A416 WeakPolarHBondContact O-CB 3.33Å; L412-A416 PolarHBondContact O-N 3.2Å; L412-A416 VanDerWaalsContact O-N 3.12Å; F413-A416 WeakPolarHBondContact O-CB 3.28Å; F413-A416 PolarHBondContact O-N 3.36Å; L414-A416 VanDerWaalsContact C-N 3.34Å; L414-A416 PolarHBondContact O-N 3.4Å; A416-I418 VanDerWaalsContact C-N 3.29Å; A416-I418 PolarHBondContact O-N 3.32Å; A416-I419 PolarHBondContact O-N 3.17Å; A416-F420 HydrophobicContact CB-CE2 4.4Å; A416-F420 WeakPolarHBondContact O-CD2 3.23Å; A416-F420 WeakPolarHBondContact O-CG 3.27Å; A416-F420 PolarHBondContact O-N 2.95Å; A416-A504 HydrophobicContact CB-CB 3.97Å; A416-V505 HydrophobicContact CB-CG2 3.51Å
417I95.6Very high91.6Very high79 Ų7942 Ų4241%0.40522%0.224SC..Hα-helixtrans-56.4-46.1176-71.2168.2000110.4F413 L414 F420 A421F413-I417 HydrophobicContact CD1-CD1 3.65Å; F413-I417 HydrophobicContact CE1-CD1 3.33Å; F413-I417 HydrophobicContact CE1-CG1 4.33Å; F413-I417 HydrophobicContact CE2-CD1 4.45Å; F413-I417 HydrophobicContact CG-CD1 4.36Å; F413-I417 HydrophobicContact CZ-CD1 3.77Å; F413-I417 HydrophobicContact CZ-CG1 4.38Å; F413-I417 WeakPolarHBondContact O-CG1 3.32Å; F413-I417 PolarHBondContact O-N 3.49Å; L414-I417 PolarHBondContact O-N 2.99Å; I417-F420 PolarHBondContact O-N 3.38Å; I417-A421 VanDerWaalsContact O-CB 3.3Å; I417-A421 WeakPolarHBondContact O-CB 3.02Å; I417-A421 PolarHBondContact O-N 2.86Å
418I94.4Very high90.8Very high18 Ų1848.7 Ų48.79%0.09226%0.26CS..Hα-helixtrans-66.7-40.8-178.8-68.1162.7000111.3L414 S415 A416 A421 N422 L436 L439 F443L414-I418 HydrophobicContact CD1-CD1 4.37Å; L414-I418 HydrophobicContact CG-CD1 4.02Å; L414-I418 WeakPolarHBondContact O-CB 3.36Å; L414-I418 WeakPolarHBondContact O-CD1 3.39Å; L414-I418 VanDerWaalsContact O-CG1 3.23Å; L414-I418 WeakPolarHBondContact O-CG1 3.37Å; L414-I418 PolarHBondContact O-N 3.3Å; S415-I418 PolarHBondContact O-N 2.92Å; A416-I418 VanDerWaalsContact C-N 3.29Å; A416-I418 PolarHBondContact O-N 3.32Å; I418-A421 PolarHBondContact O-N 3.42Å; I418-N422 WeakPolarHBondContact O-CB 3.18Å; I418-N422 PolarHBondContact O-N 3.15Å; I418-L436 HydrophobicContact CG2-CB 4.09Å; I418-L436 HydrophobicContact CG2-CD2 4.14Å; I418-L436 WeakPolarHBondContact CG2-O 3.42Å; I418-L439 HydrophobicContact CD1-CB 4.04Å; I418-L439 HydrophobicContact CG2-CB 4.29Å; I418-F443 HydrophobicContact CD1-CD2 3.5Å; I418-F443 HydrophobicContact CD1-CE2 3.55Å
419I91.6Very high90.3Very high6 Ų653.4 Ų53.43%0.03128%0.283CS..Hα-helixtrans-62.5-44.2176.1-67.8163.6000110.5L366 S415 A416 N422 S497L366-I419 HydrophobicContact CD1-CD1 4Å; L366-I419 HydrophobicContact CD1-CG1 4.24Å; L366-I419 HydrophobicContact CD2-CG1 4.45Å; S415-I419 WeakPolarHBondContact O-CD1 3.46Å; S415-I419 WeakPolarHBondContact O-CG1 3.01Å; S415-I419 PolarHBondContact O-N 3.47Å; A416-I419 PolarHBondContact O-N 3.17Å; I419-N422 WeakPolarHBondContact O-CB 3.36Å; I419-N422 PolarHBondContact O-N 3.03Å; I419-S497 VanDerWaalsContact CG2-O 3.28Å; I419-S497 WeakPolarHBondContact CG2-O 3.3Å
420F93.6Very high89.7Confident65 Ų6556.7 Ų56.729%0.28530%0.296SS..Hα-helixtrans-67.4-40.8176.5-72.2-52.5000112.5A416 I417 N422 I423 F424 V505A416-F420 HydrophobicContact CB-CE2 4.4Å; A416-F420 WeakPolarHBondContact O-CD2 3.23Å; A416-F420 WeakPolarHBondContact O-CG 3.27Å; A416-F420 PolarHBondContact O-N 2.95Å; I417-F420 PolarHBondContact O-N 3.38Å; F420-N422 PolarHBondContact O-N 2.99Å; F420-I423 HydrophobicContact CD1-CD1 3.95Å; F420-I423 WeakPolarHBondContact O-CB 3.42Å; F420-I423 PolarHBondContact O-N 3.18Å; F420-F424 WeakPolarHBondContact O-CD2 3.13Å; F420-V505 HydrophobicContact CE2-CG2 3.83Å
421A92.1Very high89.4Confident41 Ų4159.1 Ų59.134%0.33931%0.313SS..Hα-helixtrans-58.4-37.8175.400000111.4I417 I418 I423 F424I417-A421 VanDerWaalsContact O-CB 3.3Å; I417-A421 WeakPolarHBondContact O-CB 3.02Å; I417-A421 PolarHBondContact O-N 2.86Å; I418-A421 PolarHBondContact O-N 3.42Å; A421-I423 PolarHBondContact O-N 2.98Å; A421-F424 PolarHBondContact O-N 3.49Å
422N89.6Confident89.1Confident20 Ų2062.8 Ų62.811%0.10733%0.333CS..Hα-helixtrans-63.9-21.5178.3-153.3-8.6000113.4I418 I419 F420 F424 V425 R433 L436I418-N422 WeakPolarHBondContact O-CB 3.18Å; I418-N422 PolarHBondContact O-N 3.15Å; I419-N422 WeakPolarHBondContact O-CB 3.36Å; I419-N422 PolarHBondContact O-N 3.03Å; F420-N422 PolarHBondContact O-N 2.99Å; N422-F424 VanDerWaalsContact C-N 3.33Å; N422-V425 PolarHBondContact O-N 3.29Å; N422-R433 PolarHBondContact ND2-O 3.42Å; N422-R433 WeakPolarHBondContact OD1-CG 3.02Å; N422-L436 HydrophobicContact CB-CB 4.33Å; N422-L436 HydrophobicContact CB-CD1 4.47Å
423I89.1Confident88.7Confident55 Ų5565.4 Ų65.428%0.28234%0.343SS..Hα-helixtrans-68.3-35176.3-62.2174.5000111.3F420 A421 V425 A494 M498F420-I423 HydrophobicContact CD1-CD1 3.95Å; F420-I423 WeakPolarHBondContact O-CB 3.42Å; F420-I423 PolarHBondContact O-N 3.18Å; A421-I423 PolarHBondContact O-N 2.98Å; I423-V425 VanDerWaalsContact C-N 3.3Å; I423-V425 PolarHBondContact O-N 3.07Å; I423-A494 HydrophobicContact CG2-CB 3.73Å; I423-M498 HydrophobicContact CD1-CG 3.71Å
424F87.9Confident88.4Confident175 Ų17560.9 Ų60.977%0.76832%0.324SS*.THydrogen-bonded Turntrans-83.9-5.4-177.2-60.8-75.7000113.3F420 A421 N422F420-F424 WeakPolarHBondContact O-CD2 3.13Å; A421-F424 PolarHBondContact O-N 3.49Å; N422-F424 VanDerWaalsContact C-N 3.33Å
425V86.4Confident88.1Confident23 Ų2361.2 Ų61.214%0.13933%0.329CS..SBendtrans-83.9121.3-179.3178.90000109.8N422 I423 M429 L432 R433 L436N422-V425 PolarHBondContact O-N 3.29Å; I423-V425 VanDerWaalsContact C-N 3.3Å; I423-V425 PolarHBondContact O-N 3.07Å; V425-M429 HydrophobicContact CG1-CB 4.06Å; V425-L432 HydrophobicContact CG1-CB 4.36Å; V425-L432 HydrophobicContact CG1-CD2 3.99Å; V425-L432 HydrophobicContact CG1-CG 4.23Å; V425-L432 HydrophobicContact CG2-CD2 4.03Å; V425-L432 HydrophobicContact CG2-CG 4.35Å; V425-R433 HydrophobicContact CG1-CB 4.33Å; V425-L436 HydrophobicContact CG2-CD1 3.74Å
426P81.1Confident87.9Confident61 Ų6162.7 Ų62.740%0.39634%0.336SS..  trans-65.4154.1178.626.2-33.1000111.9D428 M429P426-D428 PolarHBondContact O-N 2.63Å; P426-D428 VanDerWaalsContact O-N 3.1Å; P426-M429 HydrophobicContact CG-CE 3.83Å; P426-M429 HydrophobicContact CG-CG 4.28Å; P426-M429 HydrophobicContact CG-SD 4.43Å; P426-M429 PolarHBondContact O-N 3.18Å
427T73.6Confident87.7Confident93 Ų9362.7 Ų62.757%0.57134%0.337SS*.THydrogen-bonded Turntrans-60.1-22.5-176.741.60000114.4M429T427-M429 VanDerWaalsContact C-N 3.32Å
428D77.1Confident87.5Confident141 Ų14159.5 Ų59.575%0.75432%0.321SS*.THydrogen-bonded Turntrans-74.8-24.6-176.5-50.4-38.4000111.9P426 Q430P426-D428 PolarHBondContact O-N 2.63Å; P426-D428 VanDerWaalsContact O-N 3.1Å; D428-Q430 PolarHBondContact O-N 3.38Å
429M84.2Confident87.4Confident99 Ų9962.4 Ų62.449%0.48834%0.336SS..  trans-91.761.7178.3-60.9-170.4-150.900112.1V425 P426 T427 S431 L432 R433V425-M429 HydrophobicContact CG1-CB 4.06Å; P426-M429 HydrophobicContact CG-CE 3.83Å; P426-M429 HydrophobicContact CG-CG 4.28Å; P426-M429 HydrophobicContact CG-SD 4.43Å; P426-M429 PolarHBondContact O-N 3.18Å; T427-M429 VanDerWaalsContact C-N 3.32Å; M429-S431 VanDerWaalsContact C-N 3.31Å; M429-S431 PolarHBondContact O-N 3.5Å; M429-L432 HydrophobicContact CB-CB 4.22Å; M429-L432 PolarHBondContact O-N 3.14Å; M429-L432 HydrophobicContact SD-CD2 4.21Å; M429-R433 PolarHBondContact O-N 3.3Å; M429-R433 VanDerWaalsContact O-N 3.08Å
430Q83.1Confident87.4Confident98 Ų9862.1 Ų62.146%0.45834%0.335SS..Hα-helixtrans-58-38.3-174.1-62.8178.2-3.400113.8D428 R433 T434D428-Q430 PolarHBondContact O-N 3.38Å; Q430-R433 PolarHBondContact O-N 3.35Å; Q430-T434 VanDerWaalsContact O-CB 3.32Å; Q430-T434 WeakPolarHBondContact O-CB 2.95Å; Q430-T434 PolarHBondContact O-N 3.29Å; Q430-T434 PolarHBondContact O-OG1 3.34Å
431S86.7Confident87.3Confident90 Ų9059 Ų5963%0.62932%0.322SS*.Hα-helixtrans-64.9-43.7179.349.10000112.4M429 T435M429-S431 VanDerWaalsContact C-N 3.31Å; M429-S431 PolarHBondContact O-N 3.5Å; S431-T435 WeakPolarHBondContact O-CB 3.26Å; S431-T435 PolarHBondContact O-N 2.87Å; S431-T435 PolarHBondContact O-OG1 3.17Å
432L88.9Confident87.3Confident77 Ų7757.8 Ų57.840%0.40331%0.311SS..Hα-helixtrans-66-46.2176.6-177.562000111V425 M429 T434 T435 L436V425-L432 HydrophobicContact CG1-CB 4.36Å; V425-L432 HydrophobicContact CG1-CD2 3.99Å; V425-L432 HydrophobicContact CG1-CG 4.23Å; V425-L432 HydrophobicContact CG2-CD2 4.03Å; V425-L432 HydrophobicContact CG2-CG 4.35Å; M429-L432 HydrophobicContact CB-CB 4.22Å; M429-L432 PolarHBondContact O-N 3.14Å; M429-L432 HydrophobicContact SD-CD2 4.21Å; L432-T434 VanDerWaalsContact C-N 3.31Å; L432-T434 PolarHBondContact O-N 3.03Å; L432-T435 PolarHBondContact O-N 2.93Å; L432-L436 HydrophobicContact CD1-CD1 4.34Å; L432-L436 HydrophobicContact CD1-CG 4.37Å; L432-L436 HydrophobicContact CG-CD1 4.19Å; L432-L436 WeakPolarHBondContact O-CG 3.44Å; L432-L436 PolarHBondContact O-N 2.82Å
433R87Confident87.5Confident56 Ų5658.5 Ų58.521%0.21131%0.314CS..Hα-helixtrans-57.3-44.8178-162.7-170.5174.6158.7-0.1112K372 F373 N422 V425 M429 Q430 A437K372-R433 PolarHBondContact O-NH1 3.06Å; F373-R433 HydrophobicContact CD1-CG 4.11Å; F373-R433 HydrophobicContact CE1-CG 4.33Å; N422-R433 PolarHBondContact ND2-O 3.42Å; N422-R433 WeakPolarHBondContact OD1-CG 3.02Å; V425-R433 HydrophobicContact CG1-CB 4.33Å; M429-R433 PolarHBondContact O-N 3.3Å; M429-R433 VanDerWaalsContact O-N 3.08Å; Q430-R433 PolarHBondContact O-N 3.35Å; R433-A437 WeakPolarHBondContact O-CB 3.35Å; R433-A437 PolarHBondContact O-N 3.45Å
434T88.3Confident87.7Confident12 Ų1255.9 Ų55.97%0.07430%0.3CS..Hα-helixtrans-66.1-44.5177.8-60.10000111.3F373 V375 M380 Q430 L432 L436 A437 C438F373-T434 PolarHBondContact O-OG1 3.19Å; V375-T434 HydrophobicContact CG2-CG2 4.43Å; M380-T434 HydrophobicContact CE-CG2 3.99Å; M380-T434 HydrophobicContact SD-CG2 3.72Å; Q430-T434 VanDerWaalsContact O-CB 3.32Å; Q430-T434 WeakPolarHBondContact O-CB 2.95Å; Q430-T434 PolarHBondContact O-N 3.29Å; Q430-T434 PolarHBondContact O-OG1 3.34Å; L432-T434 VanDerWaalsContact C-N 3.31Å; L432-T434 PolarHBondContact O-N 3.03Å; T434-L436 PolarHBondContact O-N 2.91Å; T434-A437 PolarHBondContact O-N 3.05Å; T434-C438 WeakPolarHBondContact O-CB 3.38Å; T434-C438 PolarHBondContact O-N 2.8Å; T434-C438 PolarHBondContact O-SG 3.05Å
435T90.1Very high87.8Confident76 Ų7647.8 Ų47.847%0.46627%0.265SS..Hα-helixtrans-62.1-45.9179.5-57.50000111.4S431 L432 C438 L439S431-T435 WeakPolarHBondContact O-CB 3.26Å; S431-T435 PolarHBondContact O-N 2.87Å; S431-T435 PolarHBondContact O-OG1 3.17Å; L432-T435 PolarHBondContact O-N 2.93Å; T435-C438 PolarHBondContact O-N 3.05Å; T435-L439 HydrophobicContact CG2-CD1 4.21Å; T435-L439 WeakPolarHBondContact O-CG 3.24Å; T435-L439 PolarHBondContact O-N 3.27Å
436L91.1Very high88.1Confident30 Ų3046.8 Ų46.816%0.15726%0.259CS..Hα-helixtrans-63-43175.8-69.4173.3000111.8I418 N422 V425 L432 T434 C438 L439 G440I418-L436 HydrophobicContact CG2-CB 4.09Å; I418-L436 HydrophobicContact CG2-CD2 4.14Å; I418-L436 WeakPolarHBondContact CG2-O 3.42Å; N422-L436 HydrophobicContact CB-CB 4.33Å; N422-L436 HydrophobicContact CB-CD1 4.47Å; V425-L436 HydrophobicContact CG2-CD1 3.74Å; L432-L436 HydrophobicContact CD1-CD1 4.34Å; L432-L436 HydrophobicContact CD1-CG 4.37Å; L432-L436 HydrophobicContact CG-CD1 4.19Å; L432-L436 WeakPolarHBondContact O-CG 3.44Å; L432-L436 PolarHBondContact O-N 2.82Å; T434-L436 PolarHBondContact O-N 2.91Å; L436-C438 VanDerWaalsContact C-N 3.31Å; L436-C438 PolarHBondContact O-N 3.42Å; L436-L439 PolarHBondContact O-N 3.28Å; L436-G440 PolarHBondContact O-N 3.1Å
437A89.4Confident88.7Confident2 Ų243.9 Ų43.92%0.01724%0.241CC..Hα-helixtrans-60.4-42.217600000112.2F373 M380 R433 T434 G440 K441F373-A437 HydrophobicContact CD1-CB 3.89Å; F373-A437 HydrophobicContact CE1-CB 3.28Å; F373-A437 HydrophobicContact CE2-CB 4.15Å; F373-A437 HydrophobicContact CZ-CB 3.42Å; F373-A437 VanDerWaalsContact CZ-CB 3.42Å; M380-A437 HydrophobicContact CE-CB 4.32Å; R433-A437 WeakPolarHBondContact O-CB 3.35Å; R433-A437 PolarHBondContact O-N 3.45Å; T434-A437 PolarHBondContact O-N 3.05Å; A437-G440 PolarHBondContact O-N 3.19Å; A437-K441 VanDerWaalsContact O-CB 3.28Å; A437-K441 WeakPolarHBondContact O-CB 3.11Å; A437-K441 PolarHBondContact O-N 3.12Å
438C91.4Very high89.4Confident12 Ų1241.6 Ų41.68%0.08122%0.223CC..Hα-helixtrans-63.3-44.3176.1-67.20000111.9I383 F384 V387 T434 T435 L436 K441 A442I383-C438 HydrophobicContact CG2-CB 4.46Å; I383-C438 WeakPolarHBondContact CG2-SG 3.29Å; F384-C438 HydrophobicContact CE1-CB 4.5Å; V387-C438 HydrophobicContact CG2-CB 4.33Å; T434-C438 WeakPolarHBondContact O-CB 3.38Å; T434-C438 PolarHBondContact O-N 2.8Å; T434-C438 PolarHBondContact O-SG 3.05Å; T435-C438 PolarHBondContact O-N 3.05Å; L436-C438 VanDerWaalsContact C-N 3.31Å; L436-C438 PolarHBondContact O-N 3.42Å; C438-K441 PolarHBondContact O-N 3.48Å; C438-A442 WeakPolarHBondContact O-CB 3.42Å; C438-A442 PolarHBondContact O-N 3.21Å
439L93.1Very high89.9Confident78 Ų7836.5 Ų36.541%0.40820%0.197SC..Hα-helixtrans-63.8-44.7176.5-71.6170.3000111.8I418 T435 L436 K441 A442 F443I418-L439 HydrophobicContact CD1-CB 4.04Å; I418-L439 HydrophobicContact CG2-CB 4.29Å; T435-L439 HydrophobicContact CG2-CD1 4.21Å; T435-L439 WeakPolarHBondContact O-CG 3.24Å; T435-L439 PolarHBondContact O-N 3.27Å; L436-L439 PolarHBondContact O-N 3.28Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.77Å; L439-A442 VanDerWaalsContact O-CB 3.32Å; L439-A442 WeakPolarHBondContact O-CB 3.33Å; L439-A442 PolarHBondContact O-N 2.97Å; L439-A442 VanDerWaalsContact O-N 3.15Å; L439-F443 WeakPolarHBondContact O-CD2 3.03Å; L439-F443 PolarHBondContact O-N 3.05Å
440G92.6Very high90.1Very high1 Ų131.8 Ų31.81%0.0117%0.174CC..Hα-helixtrans-59.8-41.9175.300000112.2L436 A437 F443 T444L436-G440 PolarHBondContact O-N 3.1Å; A437-G440 PolarHBondContact O-N 3.19Å; G440-F443 PolarHBondContact O-N 3.18Å; G440-T444 WeakPolarHBondContact O-CG2 3.48Å; G440-T444 PolarHBondContact O-N 3.32Å; G440-T444 PolarHBondContact O-OG1 3.18Å; G440-T444 VanDerWaalsContact O-OG1 3.12Å
441K90.8Very high90.5Very high0 Ų027.1 Ų27.10%015%0.152CC..Hα-helixtrans-64.6-38.4174.4-166.3-97.3-174.7-173.20112.2F384 D388 A437 C438 L439 T444 S445F384-K441 HydrophobicContact CB-CD 4.12Å; F384-K441 HydrophobicContact CD1-CB 4.38Å; F384-K441 HydrophobicContact CD1-CD 4.09Å; F384-K441 HydrophobicContact CD1-CG 4.21Å; F384-K441 HydrophobicContact CD2-CD 4.38Å; F384-K441 HydrophobicContact CD2-CG 4.23Å; F384-K441 HydrophobicContact CE1-CB 4.06Å; F384-K441 HydrophobicContact CE1-CG 4.22Å; F384-K441 HydrophobicContact CE2-CG 4.29Å; F384-K441 HydrophobicContact CG-CD 3.95Å; F384-K441 HydrophobicContact CG-CG 4.19Å; F384-K441 HydrophobicContact CZ-CB 4.29Å; F384-K441 HydrophobicContact CZ-CG 4.29Å; F384-K441 PolarHBondContact O-NZ 3.03Å; D388-K441 IonicContact OD1-NZ 2.89Å; D388-K441 PolarHBondContact OD1-NZ 3.39Å; D388-K441 IonicContact OD2-NZ 3.25Å; D388-K441 PolarHBondContact OD2-NZ 3.29Å; A437-K441 VanDerWaalsContact O-CB 3.28Å; A437-K441 WeakPolarHBondContact O-CB 3.11Å; A437-K441 PolarHBondContact O-N 3.12Å; C438-K441 PolarHBondContact O-N 3.48Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.77Å; K441-T444 WeakPolarHBondContact CA-OG1 3.49Å; K441-T444 PolarHBondContact O-OG1 3.5Å; K441-S445 VanDerWaalsContact O-CB 3.28Å; K441-S445 WeakPolarHBondContact O-CB 3.38Å; K441-S445 PolarHBondContact O-N 2.89Å
442A92.8Very high90.5Very high14 Ų1427.5 Ų27.512%0.11614%0.14CC..Hα-helixtrans-60.4-49.217500000111.6V387 A391 C438 L439 S445 A446V387-A442 HydrophobicContact CG1-CB 3.4Å; V387-A442 VanDerWaalsContact CG1-CB 3.4Å; A391-A442 HydrophobicContact CB-CB 4.07Å; A391-A442 WeakPolarHBondContact CB-O 3.47Å; C438-A442 WeakPolarHBondContact O-CB 3.42Å; C438-A442 PolarHBondContact O-N 3.21Å; L439-A442 VanDerWaalsContact O-CB 3.32Å; L439-A442 WeakPolarHBondContact O-CB 3.33Å; L439-A442 PolarHBondContact O-N 2.97Å; L439-A442 VanDerWaalsContact O-N 3.15Å; A442-S445 WeakPolarHBondContact O-CB 3.35Å; A442-S445 PolarHBondContact O-N 3.1Å; A442-A446 WeakPolarHBondContact O-CB 3.47Å; A442-A446 PolarHBondContact O-N 2.94Å
443F94Very high90.2Very high36 Ų3626.9 Ų26.916%0.15814%0.137CC..Hα-helixtrans-69.4-35.4-178.5-74.2-64.8000113.1L414 I418 L439 G440 A446 S447L414-F443 HydrophobicContact CD2-CD1 4.15Å; L414-F443 HydrophobicContact CD2-CD2 4.23Å; L414-F443 HydrophobicContact CD2-CE1 3.52Å; L414-F443 HydrophobicContact CD2-CE2 3.62Å; L414-F443 HydrophobicContact CD2-CG 4.48Å; L414-F443 HydrophobicContact CD2-CZ 3.23Å; L414-F443 HydrophobicContact CG-CD2 4.12Å; L414-F443 HydrophobicContact CG-CE1 4.36Å; L414-F443 HydrophobicContact CG-CE2 3.87Å; L414-F443 HydrophobicContact CG-CG 4.49Å; L414-F443 HydrophobicContact CG-CZ 4.01Å; I418-F443 HydrophobicContact CD1-CD2 3.5Å; I418-F443 HydrophobicContact CD1-CE2 3.55Å; L439-F443 WeakPolarHBondContact O-CD2 3.03Å; L439-F443 PolarHBondContact O-N 3.05Å; G440-F443 PolarHBondContact O-N 3.18Å; F443-A446 PolarHBondContact O-N 2.86Å; F443-S447 WeakPolarHBondContact O-CB 3.32Å; F443-S447 PolarHBondContact O-N 3.26Å
444T92.2Very high90.3Very high0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-66.2-38.1171.951.90000111.8A362 L366 G440 K441 S447 F448A362-T444 HydrophobicContact CB-CG2 3.92Å; L366-T444 HydrophobicContact CD1-CG2 4.35Å; G440-T444 WeakPolarHBondContact O-CG2 3.48Å; G440-T444 PolarHBondContact O-N 3.32Å; G440-T444 PolarHBondContact O-OG1 3.18Å; G440-T444 VanDerWaalsContact O-OG1 3.12Å; K441-T444 WeakPolarHBondContact CA-OG1 3.49Å; K441-T444 PolarHBondContact O-OG1 3.5Å; T444-S447 WeakPolarHBondContact O-CB 3.47Å; T444-S447 PolarHBondContact O-N 3.08Å; T444-F448 PolarHBondContact O-N 3.31Å
445S90.9Very high90.2Very high5 Ų523.7 Ų23.74%0.03512%0.123CC..Hα-helixtrans-64.6-42.5173.8-167.10000112.7D388 K441 A442 F448 T449D388-S445 VanDerWaalsContact CG-OG 3.32Å; D388-S445 WeakPolarHBondContact OD1-CB 3.19Å; D388-S445 PolarHBondContact OD1-OG 3.26Å; K441-S445 VanDerWaalsContact O-CB 3.28Å; K441-S445 WeakPolarHBondContact O-CB 3.38Å; K441-S445 PolarHBondContact O-N 2.89Å; A442-S445 WeakPolarHBondContact O-CB 3.35Å; A442-S445 PolarHBondContact O-N 3.1Å; S445-F448 WeakPolarHBondContact O-CB 3.36Å; S445-F448 PolarHBondContact O-N 3.38Å; S445-T449 PolarHBondContact O-N 3.47Å; S445-T449 PolarHBondContact O-OG1 3.28Å
446A91.6Very high89.8Confident2 Ų220.8 Ų20.82%0.01711%0.109CC..Hα-helixtrans-61.4-44.6172.700000111.7A395 A442 F443 F448 T449 T450A395-A446 HydrophobicContact CB-CB 3.88Å; A442-A446 WeakPolarHBondContact O-CB 3.47Å; A442-A446 PolarHBondContact O-N 2.94Å; F443-A446 PolarHBondContact O-N 2.86Å; A446-F448 VanDerWaalsContact C-N 3.3Å; A446-F448 PolarHBondContact O-N 2.92Å; A446-T449 PolarHBondContact O-N 3.15Å; A446-T450 PolarHBondContact O-N 3.41Å; A446-T450 PolarHBondContact O-OG1 3.26Å
447S93.3Very high89.4Confident0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-59.5-38.9173.5175.40000112.3T359 Q408 L412 F443 T444 T450 V451T359-S447 WeakPolarHBondContact CG2-OG 3.28Å; T359-S447 PolarHBondContact OG1-OG 2.85Å; Q408-S447 PolarHBondContact NE2-OG 3.48Å; Q408-S447 PolarHBondContact OE1-O 3.39Å; L412-S447 WeakPolarHBondContact CD2-OG 3.35Å; L412-S447 WeakPolarHBondContact CG-OG 3.41Å; F443-S447 WeakPolarHBondContact O-CB 3.32Å; F443-S447 PolarHBondContact O-N 3.26Å; T444-S447 WeakPolarHBondContact O-CB 3.47Å; T444-S447 PolarHBondContact O-N 3.08Å; S447-T450 PolarHBondContact O-N 3.19Å; S447-V451 WeakPolarHBondContact O-CB 3.39Å; S447-V451 PolarHBondContact O-N 3.43Å
448F89.6Confident89.3Confident45 Ų4521.6 Ų21.620%0.19711%0.112CC..Hα-helixtrans-63.7-42.5176.6-155.9-88.5000110.9T359 T444 S445 A446 V451 Y452T359-F448 HydrophobicContact CG2-CB 3.87Å; T359-F448 HydrophobicContact CG2-CD2 3.87Å; T359-F448 HydrophobicContact CG2-CG 4.3Å; T444-F448 PolarHBondContact O-N 3.31Å; S445-F448 WeakPolarHBondContact O-CB 3.36Å; S445-F448 PolarHBondContact O-N 3.38Å; A446-F448 VanDerWaalsContact C-N 3.3Å; A446-F448 PolarHBondContact O-N 2.92Å; F448-V451 WeakPolarHBondContact O-CG1 3.13Å; F448-Y452 AromaticContact CD1-CD2 3.87Å; F448-Y452 HydrophobicContact CD1-CD2 3.87Å; F448-Y452 AromaticContact CD1-CE2 3.71Å; F448-Y452 HydrophobicContact CD1-CE2 3.71Å; F448-Y452 AromaticContact CE1-CD2 3.87Å; F448-Y452 HydrophobicContact CE1-CD2 3.87Å; F448-Y452 AromaticContact CE1-CE2 3.22Å; F448-Y452 HydrophobicContact CE1-CE2 3.22Å; F448-Y452 AromaticContact CZ-CE2 3.77Å; F448-Y452 HydrophobicContact CZ-CE2 3.77Å; F448-Y452 WeakPolarHBondContact O-CD2 3.41Å; F448-Y452 PolarHBondContact O-N 2.89Å
449T87.4Confident88.9Confident34 Ų3421 Ų2121%0.20911%0.108CC..Hα-helixtrans-65.5-44.6176.7-55.80000111.7S445 A446 L453S445-T449 PolarHBondContact O-N 3.47Å; S445-T449 PolarHBondContact O-OG1 3.28Å; A446-T449 PolarHBondContact O-N 3.15Å; T449-L453 PolarHBondContact O-N 3.44Å
450T88.9Confident88.3Confident0 Ų017.4 Ų17.40%09%0.089CC..Hα-helixtrans-65-45.5179.7-650000112.3L399 T407 Q408 A446 S447 Y452 L453 Y454L399-T450 HydrophobicContact CD2-CG2 3.56Å; L399-T450 HydrophobicContact CG-CG2 4.41Å; T407-T450 HydrophobicContact CG2-CG2 4.12Å; T407-T450 WeakPolarHBondContact CG2-OG1 3.45Å; Q408-T450 HydrophobicContact CB-CG2 3.96Å; Q408-T450 VanDerWaalsContact OE1-CB 3.27Å; A446-T450 PolarHBondContact O-N 3.41Å; A446-T450 PolarHBondContact O-OG1 3.26Å; S447-T450 PolarHBondContact O-N 3.19Å; T450-Y452 VanDerWaalsContact C-N 3.31Å; T450-Y452 PolarHBondContact O-N 3.45Å; T450-L453 PolarHBondContact O-N 3.35Å; T450-Y454 VanDerWaalsContact O-CB 3.23Å; T450-Y454 WeakPolarHBondContact O-CB 3.4Å; T450-Y454 PolarHBondContact O-N 2.92Å
451V90.8Very high87.4Confident0 Ų020.1 Ų20.10%011%0.105CC..Hα-helixtrans-64.4-35.6-177.9780000112.2V355 W356 S447 F448 Y454 T455V355-V451 HydrophobicContact CG1-CB 4.34Å; V355-V451 HydrophobicContact CG1-CG2 3.59Å; W356-V451 HydrophobicContact CD2-CG1 3.92Å; W356-V451 HydrophobicContact CD2-CG2 4.12Å; W356-V451 HydrophobicContact CE3-CG1 4.01Å; W356-V451 HydrophobicContact CG-CG2 4.09Å; W356-V451 HydrophobicContact CH2-CG1 4.24Å; W356-V451 HydrophobicContact CZ2-CG1 4.06Å; W356-V451 HydrophobicContact CZ3-CG1 4.2Å; S447-V451 WeakPolarHBondContact O-CB 3.39Å; S447-V451 PolarHBondContact O-N 3.43Å; F448-V451 WeakPolarHBondContact O-CG1 3.13Å; V451-Y454 PolarHBondContact O-N 3.25Å; V451-T455 VanDerWaalsContact O-CB 3.27Å; V451-T455 WeakPolarHBondContact O-CB 3.46Å; V451-T455 PolarHBondContact O-N 3.22Å; V451-T455 PolarHBondContact O-OG1 3.35Å
452Y86Confident86.5Confident98 Ų9823.2 Ų23.238%0.38412%0.124SC..Hα-helixtrans-58.6-49.9174.8-101.2-84.8000111.5W356 F448 T450 G456W356-Y452 AromaticContact CH2-CD1 3.61Å; W356-Y452 HydrophobicContact CH2-CD1 3.61Å; W356-Y452 AromaticContact CH2-CD2 3.25Å; W356-Y452 HydrophobicContact CH2-CD2 3.25Å; W356-Y452 AromaticContact CH2-CE1 3.57Å; W356-Y452 HydrophobicContact CH2-CE1 3.57Å; W356-Y452 AromaticContact CH2-CE2 3.17Å; W356-Y452 HydrophobicContact CH2-CE2 3.17Å; W356-Y452 AromaticContact CH2-CG 3.47Å; W356-Y452 HydrophobicContact CH2-CG 3.47Å; W356-Y452 VanDerWaalsContact CH2-CG 3.47Å; W356-Y452 AromaticContact CH2-CZ 3.35Å; W356-Y452 HydrophobicContact CZ2-CD1 4.31Å; W356-Y452 HydrophobicContact CZ2-CD2 4.2Å; W356-Y452 HydrophobicContact CZ2-CE2 4.43Å; W356-Y452 HydrophobicContact CZ2-CG 4.13Å; W356-Y452 AromaticContact CZ3-CD2 3.65Å; W356-Y452 HydrophobicContact CZ3-CD2 3.65Å; W356-Y452 HydrophobicContact CZ3-CE1 4.28Å; W356-Y452 AromaticContact CZ3-CE2 3.21Å; W356-Y452 HydrophobicContact CZ3-CE2 3.21Å; W356-Y452 HydrophobicContact CZ3-CG 4.32Å; W356-Y452 AromaticContact CZ3-CZ 3.59Å; F448-Y452 AromaticContact CD1-CD2 3.87Å; F448-Y452 HydrophobicContact CD1-CD2 3.87Å; F448-Y452 AromaticContact CD1-CE2 3.71Å; F448-Y452 HydrophobicContact CD1-CE2 3.71Å; F448-Y452 AromaticContact CE1-CD2 3.87Å; F448-Y452 HydrophobicContact CE1-CD2 3.87Å; F448-Y452 AromaticContact CE1-CE2 3.22Å; F448-Y452 HydrophobicContact CE1-CE2 3.22Å; F448-Y452 AromaticContact CZ-CE2 3.77Å; F448-Y452 HydrophobicContact CZ-CE2 3.77Å; F448-Y452 WeakPolarHBondContact O-CD2 3.41Å; F448-Y452 PolarHBondContact O-N 2.89Å; T450-Y452 VanDerWaalsContact C-N 3.31Å; T450-Y452 PolarHBondContact O-N 3.45Å; Y452-G456 PolarHBondContact O-N 3.2Å
453L83.6Confident85.7Confident63 Ų6322.6 Ų22.633%0.3312%0.119SC..Hα-helixtrans-67.4-46.7178.9-70.4171.4000111.4L396 L399 T449 T450 T455 G456 E457L396-L453 HydrophobicContact CD2-CD1 4.42Å; L399-L453 HydrophobicContact CD1-CD1 3.61Å; T449-L453 PolarHBondContact O-N 3.44Å; T450-L453 PolarHBondContact O-N 3.35Å; L453-T455 VanDerWaalsContact C-N 3.3Å; L453-T455 PolarHBondContact O-N 3.47Å; L453-G456 PolarHBondContact O-N 3.5Å; L453-G456 VanDerWaalsContact O-N 3.08Å; L453-E457 PolarHBondContact O-N 3.11Å
454Y87.7Confident84.9Confident1 Ų123.3 Ų23.30%0.00412%0.12CC..Hα-helixtrans-62.4-37.7-176-168.7-161.8000112.4R404 T450 V451 G456 E457 L458 L514 P515 T517R404-Y454 HydrophobicContact CB-CD1 4.39Å; R404-Y454 HydrophobicContact CB-CD2 3.59Å; R404-Y454 HydrophobicContact CB-CE2 3.8Å; R404-Y454 HydrophobicContact CB-CG 3.91Å; R404-Y454 HydrophobicContact CG-CD2 4.08Å; R404-Y454 HydrophobicContact CG-CG 4.47Å; T450-Y454 VanDerWaalsContact O-CB 3.23Å; T450-Y454 WeakPolarHBondContact O-CB 3.4Å; T450-Y454 PolarHBondContact O-N 2.92Å; V451-Y454 PolarHBondContact O-N 3.25Å; Y454-G456 VanDerWaalsContact C-N 3.33Å; Y454-G456 PolarHBondContact O-N 2.8Å; Y454-E457 PolarHBondContact O-N 3.44Å; Y454-L458 HydrophobicContact CD1-CD1 4.09Å; Y454-L458 HydrophobicContact CD2-CD1 3.62Å; Y454-L458 HydrophobicContact CD2-CD2 4.48Å; Y454-L458 HydrophobicContact CD2-CG 3.76Å; Y454-L458 HydrophobicContact CE1-CD1 4.06Å; Y454-L458 HydrophobicContact CE2-CD1 3.58Å; Y454-L458 HydrophobicContact CE2-CD2 3.91Å; Y454-L458 HydrophobicContact CE2-CG 3.67Å; Y454-L458 HydrophobicContact CG-CD1 3.88Å; Y454-L458 HydrophobicContact CG-CG 4.47Å; Y454-L458 WeakPolarHBondContact O-CB 3.43Å; Y454-L458 VanDerWaalsContact O-CG 3.29Å; Y454-L458 WeakPolarHBondContact O-CG 3.21Å; Y454-L458 PolarHBondContact O-N 3.08Å; Y454-L514 HydrophobicContact CD1-CD1 4.23Å; Y454-L514 HydrophobicContact CE1-CB 3.89Å; Y454-L514 HydrophobicContact CE1-CD1 3.62Å; Y454-L514 HydrophobicContact CE1-CG 4.37Å; Y454-L514 WeakPolarHBondContact OH-CB 3.42Å; Y454-P515 WeakPolarHBondContact CE2-O 3.29Å; Y454-P515 PolarHBondContact OH-O 2.84Å; Y454-T517 HydrophobicContact CD2-CG2 4.13Å; Y454-T517 HydrophobicContact CE2-CG2 3.77Å
455T87Confident84Confident0 Ų031.3 Ų31.30%016%0.158CC..Hα-helixtrans-62.1-41.1175-59.10000112L352 W356 V451 L453 E457 L458 Y459 M468 V471L352-T455 HydrophobicContact CD1-CG2 4.22Å; W356-T455 PolarHBondContact NE1-OG1 3Å; V451-T455 VanDerWaalsContact O-CB 3.27Å; V451-T455 WeakPolarHBondContact O-CB 3.46Å; V451-T455 PolarHBondContact O-N 3.22Å; V451-T455 PolarHBondContact O-OG1 3.35Å; L453-T455 VanDerWaalsContact C-N 3.3Å; L453-T455 PolarHBondContact O-N 3.47Å; T455-E457 VanDerWaalsContact C-N 3.26Å; T455-E457 PolarHBondContact O-N 2.91Å; T455-L458 PolarHBondContact O-N 3.24Å; T455-Y459 HydrophobicContact CG2-CD2 3.7Å; T455-Y459 HydrophobicContact CG2-CE2 3.7Å; T455-Y459 PolarHBondContact O-N 2.76Å; T455-M468 HydrophobicContact CG2-CG 3.79Å; T455-M468 HydrophobicContact CG2-SD 4.34Å; T455-V471 HydrophobicContact CG2-CG2 3.75Å
456G81Confident83.5Confident16 Ų1633.2 Ų33.217%0.16517%0.17CC..Hα-helixtrans-67-26.1177.200000113.5Y452 L453 Y454 R464Y452-G456 PolarHBondContact O-N 3.2Å; L453-G456 PolarHBondContact O-N 3.5Å; L453-G456 VanDerWaalsContact O-N 3.08Å; Y454-G456 VanDerWaalsContact C-N 3.33Å; Y454-G456 PolarHBondContact O-N 2.8Å; G456-R464 WeakPolarHBondContact O-CD 3.49Å; G456-R464 PolarHBondContact O-NE 3.19Å
457E84Confident83.1Confident40 Ų4033.1 Ų33.119%0.18717%0.169CC..Hα-helixtrans-86.7-29.6176.8-65.8178.8174.600112.9R404 L453 Y454 T455 T517 L522 P523R404-E457 WeakPolarHBondContact CG-OE2 3.48Å; R404-E457 IonicContact CZ-OE1 2.64Å; R404-E457 IonicContact CZ-OE2 3.68Å; R404-E457 IonicContact NE-OE1 3.43Å; R404-E457 PolarHBondContact NE-OE1 3.38Å; R404-E457 IonicContact NE-OE2 3.5Å; R404-E457 PolarHBondContact NE-OE2 3.2Å; R404-E457 IonicContact NH2-OE1 3.43Å; R404-E457 PolarHBondContact NH2-OE1 2.96Å; R404-E457 IonicContact NH2-OE2 3.18Å; L453-E457 PolarHBondContact O-N 3.11Å; Y454-E457 PolarHBondContact O-N 3.44Å; T455-E457 VanDerWaalsContact C-N 3.26Å; T455-E457 PolarHBondContact O-N 2.91Å; E457-T517 HydrophobicContact CB-CG2 3.97Å; E457-T517 VanDerWaalsContact OE2-CB 3.26Å; E457-T517 WeakPolarHBondContact OE2-CB 3.2Å; E457-T517 PolarHBondContact OE2-OG1 3.19Å; E457-L522 HydrophobicContact CB-CD2 4.24Å; E457-L522 HydrophobicContact CG-CD2 4.16Å; E457-P523 WeakPolarHBondContact O-CD 3.43Å
458L86.4Confident82.7Confident8 Ų836.6 Ų36.64%0.04219%0.186CC..Hα-helixtrans-79.5-39.9-177.2-78.6167000113.9I348 L352 Y454 T455 L514 P515 T517I348-L458 HydrophobicContact CG2-CB 4.06Å; I348-L458 HydrophobicContact CG2-CD1 4.35Å; I348-L458 HydrophobicContact CG2-CD2 4.5Å; L352-L458 HydrophobicContact CD1-CB 4.36Å; L352-L458 HydrophobicContact CD1-CD1 3.97Å; L352-L458 HydrophobicContact CD2-CD1 3.81Å; L352-L458 HydrophobicContact CG-CD1 4.15Å; Y454-L458 HydrophobicContact CD1-CD1 4.09Å; Y454-L458 HydrophobicContact CD2-CD1 3.62Å; Y454-L458 HydrophobicContact CD2-CD2 4.48Å; Y454-L458 HydrophobicContact CD2-CG 3.76Å; Y454-L458 HydrophobicContact CE1-CD1 4.06Å; Y454-L458 HydrophobicContact CE2-CD1 3.58Å; Y454-L458 HydrophobicContact CE2-CD2 3.91Å; Y454-L458 HydrophobicContact CE2-CG 3.67Å; Y454-L458 HydrophobicContact CG-CD1 3.88Å; Y454-L458 HydrophobicContact CG-CG 4.47Å; Y454-L458 WeakPolarHBondContact O-CB 3.43Å; Y454-L458 VanDerWaalsContact O-CG 3.29Å; Y454-L458 WeakPolarHBondContact O-CG 3.21Å; Y454-L458 PolarHBondContact O-N 3.08Å; T455-L458 PolarHBondContact O-N 3.24Å; L458-L514 HydrophobicContact CD1-CD1 4.41Å; L458-L514 HydrophobicContact CD1-CD2 4.02Å; L458-P515 HydrophobicContact CD2-CG 3.49Å; L458-P515 VanDerWaalsContact CD2-CG 3.49Å; L458-T517 HydrophobicContact CD2-CG2 4.05Å; L458-T517 HydrophobicContact CG-CG2 4.26Å
459Y84.2Confident82.3Confident1 Ų136.2 Ų36.20%0.00419%0.194CC..SBendtrans-81132.9179.9-73.9-61.7000111.4L339 I345 S349 L352 T455 I463 R464 V471L339-Y459 HydrophobicContact CD2-CD1 4.21Å; L339-Y459 HydrophobicContact CD2-CE1 3.76Å; I345-Y459 HydrophobicContact CG2-CE1 4.46Å; S349-Y459 WeakPolarHBondContact CA-OH 3.15Å; S349-Y459 PolarHBondContact OG-OH 2.9Å; L352-Y459 HydrophobicContact CD1-CD2 4.27Å; L352-Y459 HydrophobicContact CD1-CE2 3.65Å; T455-Y459 HydrophobicContact CG2-CD2 3.7Å; T455-Y459 HydrophobicContact CG2-CE2 3.7Å; T455-Y459 PolarHBondContact O-N 2.76Å; Y459-I463 HydrophobicContact CD1-CD1 4.48Å; Y459-I463 HydrophobicContact CD1-CG1 4.39Å; Y459-R464 PolarHBondContact O-NE 3.45Å; Y459-R464 VanDerWaalsContact O-NE 3.08Å; Y459-R464 PolarHBondContact O-NH2 3.22Å; Y459-V471 HydrophobicContact CE2-CG1 4.25Å; Y459-V471 WeakPolarHBondContact OH-CG1 3.3Å
460P79.1Confident82.4Confident1 Ų137.7 Ų37.71%0.00620%0.198CC..  trans-65.7149.5177.824.3-26.8000110.6I345 V462 I463 R464 P523 I526 V529I345-P460 HydrophobicContact CD1-CG 4.44Å; P460-V462 HydrophobicContact CB-CG2 4.24Å; P460-V462 HydrophobicContact CG-CG2 4.37Å; P460-V462 PolarHBondContact O-N 3.31Å; P460-I463 HydrophobicContact CG-CD1 3.67Å; P460-I463 HydrophobicContact CG-CG1 3.73Å; P460-I463 PolarHBondContact O-N 3.32Å; P460-R464 WeakPolarHBondContact O-CB 3.29Å; P460-R464 PolarHBondContact O-N 3.43Å; P460-P523 WeakPolarHBondContact CA-O 3.31Å; P460-P523 HydrophobicContact CB-CB 4.18Å; P460-P523 HydrophobicContact CB-CG 4.38Å; P460-I526 HydrophobicContact CG-CG1 4.28Å; P460-V529 HydrophobicContact CB-CG2 4.05Å; P460-V529 HydrophobicContact CG-CG2 3.93Å
461T74.6Confident82.4Confident58 Ų5837.7 Ų37.736%0.35620%0.198SC..THydrogen-bonded Turntrans-51.8-37.8-171.349.20000112.8I463 R464 P523 D524T461-I463 PolarHBondContact O-N 3.31Å; T461-R464 VanDerWaalsContact CG2-NH2 3.32Å; T461-P523 PolarHBondContact N-O 2.97Å; T461-P523 VanDerWaalsContact N-O 3.13Å; T461-D524 VanDerWaalsContact CG2-OD1 3.32Å; T461-D524 WeakPolarHBondContact CG2-OD1 3.46Å; T461-D524 WeakPolarHBondContact OG1-CA 3.29Å; T461-D524 PolarHBondContact OG1-O 3.09Å; T461-D524 PolarHBondContact OG1-OD1 2.91Å
462V70.7Confident82.2Confident66 Ų6638.9 Ų38.940%0.421%0.206SC..THydrogen-bonded Turntrans-60.7-33.1178.5-69.30000115.6F334 P460 I526F334-V462 HydrophobicContact CE2-CB 4.41Å; P460-V462 HydrophobicContact CB-CG2 4.24Å; P460-V462 HydrophobicContact CG-CG2 4.37Å; P460-V462 PolarHBondContact O-N 3.31Å; V462-I526 HydrophobicContact CG2-CG1 4.16Å
463I76.3Confident82.4Confident1 Ų136.1 Ų36.11%0.00520%0.2CC..THydrogen-bonded Turntrans-119.13.9-178.771.1-168.6000112.9F334 L339 I345 Y459 P460 T461 Q465 T466 G467 I526F334-I463 HydrophobicContact CB-CG2 4.17Å; F334-I463 HydrophobicContact CD1-CG2 4.14Å; F334-I463 HydrophobicContact CG-CG2 4.05Å; L339-I463 HydrophobicContact CD2-CB 4.44Å; L339-I463 HydrophobicContact CD2-CD1 4.04Å; L339-I463 HydrophobicContact CD2-CG1 4.24Å; I345-I463 HydrophobicContact CD1-CD1 3.73Å; I345-I463 HydrophobicContact CG2-CD1 3.87Å; Y459-I463 HydrophobicContact CD1-CD1 4.48Å; Y459-I463 HydrophobicContact CD1-CG1 4.39Å; P460-I463 HydrophobicContact CG-CD1 3.67Å; P460-I463 HydrophobicContact CG-CG1 3.73Å; P460-I463 PolarHBondContact O-N 3.32Å; T461-I463 PolarHBondContact O-N 3.31Å; I463-Q465 VanDerWaalsContact C-N 3.34Å; I463-Q465 PolarHBondContact O-N 2.79Å; I463-T466 PolarHBondContact O-N 2.7Å; I463-G467 PolarHBondContact O-N 2.98Å; I463-I526 HydrophobicContact CD1-CG1 4.31Å; I463-I526 HydrophobicContact CG2-CD1 4.23Å
464R78.8Confident82.8Confident50 Ų5035.5 Ų35.519%0.18920%0.196CC..Hα-helixtrans-57.9-44.1-172.9-176179.8-61.9166.6-0.7112.8G456 Y459 P460 T461 G467 M468G456-R464 WeakPolarHBondContact O-CD 3.49Å; G456-R464 PolarHBondContact O-NE 3.19Å; Y459-R464 PolarHBondContact O-NE 3.45Å; Y459-R464 VanDerWaalsContact O-NE 3.08Å; Y459-R464 PolarHBondContact O-NH2 3.22Å; P460-R464 WeakPolarHBondContact O-CB 3.29Å; P460-R464 PolarHBondContact O-N 3.43Å; T461-R464 VanDerWaalsContact CG2-NH2 3.32Å; R464-G467 PolarHBondContact O-N 3.19Å; R464-M468 HydrophobicContact CG-CG 4.44Å; R464-M468 WeakPolarHBondContact O-CB 3.38Å; R464-M468 VanDerWaalsContact O-CG 3.28Å; R464-M468 WeakPolarHBondContact O-CG 3.02Å; R464-M468 PolarHBondContact O-N 2.64Å
465Q72.6Confident83Confident169 Ų16935.6 Ų35.679%0.7920%0.197SC*.Hα-helixtrans-66.3-45.7-180-69.2-177-12.100111.3I463 G467 M468 G469I463-Q465 VanDerWaalsContact C-N 3.34Å; I463-Q465 PolarHBondContact O-N 2.79Å; Q465-G467 PolarHBondContact O-N 2.99Å; Q465-M468 PolarHBondContact O-N 3.24Å; Q465-G469 PolarHBondContact O-N 3Å
466T79.3Confident83.2Confident45 Ų4536.8 Ų36.828%0.27620%0.202SC..Hα-helixtrans-60.8-45.3175.5-49.50000111.6F334 A336 I463 G469 F470F334-T466 PolarHBondContact O-OG1 3.31Å; A336-T466 HydrophobicContact CB-CG2 4.49Å; I463-T466 PolarHBondContact O-N 2.7Å; T466-G469 PolarHBondContact O-N 3Å; T466-F470 PolarHBondContact O-N 3.02Å
467G83.8Confident83.9Confident0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-61.9-47.5176.500000112.8I463 R464 Q465 F470 V471I463-G467 PolarHBondContact O-N 2.98Å; R464-G467 PolarHBondContact O-N 3.19Å; Q465-G467 PolarHBondContact O-N 2.99Å; G467-F470 PolarHBondContact O-N 2.88Å; G467-V471 WeakPolarHBondContact O-CG2 3.49Å; G467-V471 PolarHBondContact O-N 3.29Å
468M83.9Confident84.3Confident72 Ų7236.8 Ų36.836%0.35520%0.198SC..Hα-helixtrans-60.8-42.7174.9-75-135.7-72.400112.2T455 R464 Q465 V471 S472T455-M468 HydrophobicContact CG2-CG 3.79Å; T455-M468 HydrophobicContact CG2-SD 4.34Å; R464-M468 HydrophobicContact CG-CG 4.44Å; R464-M468 WeakPolarHBondContact O-CB 3.38Å; R464-M468 VanDerWaalsContact O-CG 3.28Å; R464-M468 WeakPolarHBondContact O-CG 3.02Å; R464-M468 PolarHBondContact O-N 2.64Å; Q465-M468 PolarHBondContact O-N 3.24Å; M468-V471 WeakPolarHBondContact O-CG2 3.21Å; M468-S472 WeakPolarHBondContact O-CB 3.29Å; M468-S472 PolarHBondContact O-N 3.39Å
469G83Confident84.6Confident37 Ų3736.4 Ų36.438%0.38120%0.196SC..Hα-helixtrans-60.7-44.2176.100000112.5Q465 T466 T473Q465-G469 PolarHBondContact O-N 3Å; T466-G469 PolarHBondContact O-N 3Å; G469-T473 PolarHBondContact O-N 2.99Å; G469-T473 PolarHBondContact O-OG1 3.44Å
470F88Confident85Confident65 Ų6539 Ų3929%0.28521%0.209SC..Hα-helixtrans-63.8-50.9178.7-178.2-107.1000112.5A336 L339 T353 T466 G467 S472 T473 M474A336-F470 HydrophobicContact CB-CD2 4.38Å; L339-F470 HydrophobicContact CD1-CB 3.85Å; L339-F470 HydrophobicContact CD1-CD1 4.15Å; L339-F470 HydrophobicContact CD1-CG 4.08Å; T353-F470 WeakPolarHBondContact OG1-CE1 3.49Å; T466-F470 PolarHBondContact O-N 3.02Å; G467-F470 PolarHBondContact O-N 2.88Å; F470-S472 VanDerWaalsContact C-N 3.33Å; F470-S472 PolarHBondContact O-N 2.93Å; F470-T473 WeakPolarHBondContact O-CB 3.38Å; F470-T473 PolarHBondContact O-N 3.01Å; F470-M474 HydrophobicContact CE1-CE 4.4Å; F470-M474 HydrophobicContact CE2-CE 3.87Å; F470-M474 HydrophobicContact CZ-CE 3.63Å; F470-M474 PolarHBondContact O-N 3.31Å
471V90.4Very high85.7Confident0 Ų040.3 Ų40.30%022%0.22CC..Hα-helixtrans-69.7-31-179.4-57.80000112.3L352 W356 T455 Y459 G467 M468 T473 M474 A475L352-V471 HydrophobicContact CB-CG1 3.96Å; W356-V471 HydrophobicContact CB-CB 4.37Å; W356-V471 HydrophobicContact CD2-CB 4.47Å; W356-V471 HydrophobicContact CD2-CG2 4.23Å; W356-V471 HydrophobicContact CG-CB 3.89Å; W356-V471 HydrophobicContact CG-CG2 4.1Å; W356-V471 HydrophobicContact CZ2-CG2 4.27Å; W356-V471 VanDerWaalsContact NE1-CG2 3.34Å; T455-V471 HydrophobicContact CG2-CG2 3.75Å; Y459-V471 HydrophobicContact CE2-CG1 4.25Å; Y459-V471 WeakPolarHBondContact OH-CG1 3.3Å; G467-V471 WeakPolarHBondContact O-CG2 3.49Å; G467-V471 PolarHBondContact O-N 3.29Å; M468-V471 WeakPolarHBondContact O-CG2 3.21Å; V471-T473 VanDerWaalsContact C-N 3.34Å; V471-M474 WeakPolarHBondContact O-CB 3.04Å; V471-M474 PolarHBondContact O-N 3.06Å; V471-A475 PolarHBondContact O-N 2.94Å
472S86.7Confident86.5Confident25 Ų2537.6 Ų37.618%0.17520%0.203CC..Hα-helixtrans-64.8-39172.4-171.10000111.7M468 F470 M474 A475 R476M468-S472 WeakPolarHBondContact O-CB 3.29Å; M468-S472 PolarHBondContact O-N 3.39Å; F470-S472 VanDerWaalsContact C-N 3.33Å; F470-S472 PolarHBondContact O-N 2.93Å; S472-M474 VanDerWaalsContact C-N 3.3Å; S472-M474 PolarHBondContact O-N 3.07Å; S472-A475 VanDerWaalsContact O-CB 3.28Å; S472-A475 WeakPolarHBondContact O-CB 3.36Å; S472-A475 PolarHBondContact O-N 2.96Å; S472-A475 VanDerWaalsContact O-N 3.16Å; S472-R476 WeakPolarHBondContact O-CG 3.35Å; S472-R476 PolarHBondContact O-N 2.94Å
473T90.3Very high87.4Confident41 Ų4134.4 Ų34.425%0.25218%0.184SC..Hα-helixtrans-60-42.6173.5-55.90000110.8L156 G469 F470 V471 A475 R476 I477L156-T473 HydrophobicContact CD1-CG2 3.58Å; G469-T473 PolarHBondContact O-N 2.99Å; G469-T473 PolarHBondContact O-OG1 3.44Å; F470-T473 WeakPolarHBondContact O-CB 3.38Å; F470-T473 PolarHBondContact O-N 3.01Å; V471-T473 VanDerWaalsContact C-N 3.34Å; T473-A475 VanDerWaalsContact C-N 3.34Å; T473-A475 PolarHBondContact O-N 3.44Å; T473-R476 WeakPolarHBondContact O-CB 2.96Å; T473-R476 PolarHBondContact O-N 2.88Å; T473-R476 VanDerWaalsContact O-N 3.08Å; T473-I477 PolarHBondContact O-N 3.44Å
474M91.8Very high88Confident50 Ų5036.1 Ų36.125%0.24620%0.198CC..Hα-helixtrans-65.1-36.4175.3-66.8-69.1174.900112.7T353 F470 V471 S472 R476 I477 G478T353-M474 HydrophobicContact CG2-CB 3.96Å; T353-M474 HydrophobicContact CG2-CG 3.56Å; T353-M474 HydrophobicContact CG2-SD 3.95Å; F470-M474 HydrophobicContact CE1-CE 4.4Å; F470-M474 HydrophobicContact CE2-CE 3.87Å; F470-M474 HydrophobicContact CZ-CE 3.63Å; F470-M474 PolarHBondContact O-N 3.31Å; V471-M474 WeakPolarHBondContact O-CB 3.04Å; V471-M474 PolarHBondContact O-N 3.06Å; S472-M474 VanDerWaalsContact C-N 3.3Å; S472-M474 PolarHBondContact O-N 3.07Å; M474-R476 VanDerWaalsContact C-N 3.29Å; M474-R476 PolarHBondContact O-N 1.99Å; M474-I477 PolarHBondContact O-N 2.85Å; M474-I477 HydrophobicContact SD-CD1 3.8Å; M474-G478 PolarHBondContact O-N 3.32Å
475A91.6Very high88.6Confident3 Ų334.7 Ų34.73%0.02520%0.195CC..Hα-helixtrans-60.9-38.5170.600000111.9W356 S360 V471 S472 T473 G478 S479W356-A475 HydrophobicContact CB-CB 4.24Å; W356-A475 HydrophobicContact CD2-CB 4.38Å; W356-A475 HydrophobicContact CE3-CB 3.54Å; W356-A475 HydrophobicContact CZ3-CB 4.19Å; S360-A475 WeakPolarHBondContact CB-O 2.93Å; S360-A475 PolarHBondContact OG-O 3.07Å; V471-A475 PolarHBondContact O-N 2.94Å; S472-A475 VanDerWaalsContact O-CB 3.28Å; S472-A475 WeakPolarHBondContact O-CB 3.36Å; S472-A475 PolarHBondContact O-N 2.96Å; S472-A475 VanDerWaalsContact O-N 3.16Å; T473-A475 VanDerWaalsContact C-N 3.34Å; T473-A475 PolarHBondContact O-N 3.44Å; A475-G478 PolarHBondContact O-N 3.23Å; A475-S479 PolarHBondContact O-N 3.32Å
476R91.5Very high89.2Confident25 Ų2527 Ų279%0.09416%0.16CC..Hα-helixtrans-67.4-38.3175.9-64.1-57.5-176.1178.40.3112.4L156 S472 T473 M474 G478 S479 M480L156-R476 HydrophobicContact CB-CB 4.11Å; L156-R476 HydrophobicContact CD1-CB 3.8Å; S472-R476 WeakPolarHBondContact O-CG 3.35Å; S472-R476 PolarHBondContact O-N 2.94Å; T473-R476 WeakPolarHBondContact O-CB 2.96Å; T473-R476 PolarHBondContact O-N 2.88Å; T473-R476 VanDerWaalsContact O-N 3.08Å; M474-R476 VanDerWaalsContact C-N 3.29Å; M474-R476 PolarHBondContact O-N 1.99Å; R476-G478 VanDerWaalsContact C-N 3.29Å; R476-G478 PolarHBondContact O-N 3.11Å; R476-S479 WeakPolarHBondContact CA-OG 3.05Å; R476-S479 PolarHBondContact O-N 3.33Å; R476-S479 PolarHBondContact O-OG 3.22Å; R476-M480 PolarHBondContact O-N 3.44Å
477I94.1Very high89.5Confident55 Ų5527.8 Ų27.828%0.28216%0.161SC..Hα-helixtrans-60.5-42.5171.8-63.9164.6000110.2L156 F357 T473 M474 S479 M480 A481L156-I477 HydrophobicContact CD1-CG1 4.21Å; L156-I477 HydrophobicContact CD2-CG1 3.74Å; F357-I477 HydrophobicContact CD2-CG2 4.42Å; F357-I477 HydrophobicContact CE2-CG2 4.1Å; T473-I477 PolarHBondContact O-N 3.44Å; M474-I477 PolarHBondContact O-N 2.85Å; M474-I477 HydrophobicContact SD-CD1 3.8Å; I477-S479 PolarHBondContact O-N 2.02Å; I477-M480 PolarHBondContact O-N 3.31Å; I477-A481 WeakPolarHBondContact O-CB 3.19Å; I477-A481 PolarHBondContact O-N 2.89Å
478G93.2Very high89.5Confident0 Ų031 Ų310%018%0.178CC..Hα-helixtrans-58.1-45.7172.100000113F357 F361 M474 A475 R476 M480 A481 A482F357-G478 VanDerWaalsContact CE2-CA 3.47Å; F361-G478 WeakPolarHBondContact CD2-O 3Å; M474-G478 PolarHBondContact O-N 3.32Å; A475-G478 PolarHBondContact O-N 3.23Å; R476-G478 VanDerWaalsContact C-N 3.29Å; R476-G478 PolarHBondContact O-N 3.11Å; G478-M480 VanDerWaalsContact C-N 3.28Å; G478-M480 PolarHBondContact O-N 3.49Å; G478-A481 PolarHBondContact O-N 3.47Å; G478-A482 PolarHBondContact O-N 3.22Å
479S91.9Very high89.4Confident0 Ų028.5 Ų28.50%017%0.166CC..Hα-helixtrans-66.3-28177.461.90000114A475 R476 I477 P483A475-S479 PolarHBondContact O-N 3.32Å; R476-S479 WeakPolarHBondContact CA-OG 3.05Å; R476-S479 PolarHBondContact O-N 3.33Å; R476-S479 PolarHBondContact O-OG 3.22Å; I477-S479 PolarHBondContact O-N 2.02Å; S479-P483 WeakPolarHBondContact O-CD 3.33Å
480M93.6Very high89Confident56 Ų5631.1 Ų31.128%0.27617%0.168SC..Hα-helixtrans-75.3-41175.9-177.2-175.975.900111.6T149 M152 L156 R476 I477 G478 A482T149-M480 HydrophobicContact CG2-CG 3.88Å; T149-M480 PolarHBondContact OG1-O 2.83Å; M152-M480 HydrophobicContact CB-CB 3.97Å; M152-M480 HydrophobicContact CB-CG 4.36Å; L156-M480 HydrophobicContact CD2-SD 4.39Å; R476-M480 PolarHBondContact O-N 3.44Å; I477-M480 PolarHBondContact O-N 3.31Å; G478-M480 VanDerWaalsContact C-N 3.28Å; G478-M480 PolarHBondContact O-N 3.49Å; M480-A482 VanDerWaalsContact C-N 3.34Å
481A93.4Very high88.7Confident29 Ų2933.6 Ų33.624%0.2419%0.189CC..Hα-helixtrans-69.9-29.6178.400000113F361 I477 G478 A484 V485F361-A481 HydrophobicContact CD2-CB 4.03Å; F361-A481 HydrophobicContact CE2-CB 4.04Å; I477-A481 WeakPolarHBondContact O-CB 3.19Å; I477-A481 PolarHBondContact O-N 2.89Å; G478-A481 PolarHBondContact O-N 3.47Å; A481-A484 WeakPolarHBondContact O-CB 3.48Å; A481-A484 PolarHBondContact O-N 3.2Å; A481-V485 PolarHBondContact O-N 3.17Å
482A91.9Very high88.3Confident0 Ų039.2 Ų39.20%021%0.214CC..Hα-helixtrans-53.6-61.6-17700000113.7F361 G478 M480 A484 V485 Y500F361-A482 HydrophobicContact CD2-CB 3.87Å; F361-A482 HydrophobicContact CE2-CB 4.26Å; F361-A482 WeakPolarHBondContact O-CB 3.44Å; G478-A482 PolarHBondContact O-N 3.22Å; M480-A482 VanDerWaalsContact C-N 3.34Å; A482-A484 PolarHBondContact O-N 3.4Å; A482-V485 PolarHBondContact O-N 3.36Å; A482-Y500 HydrophobicContact CB-CE1 4.32Å; A482-Y500 PolarHBondContact O-OH 3Å
483P89.1Confident87.9Confident0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-59.9-30.8179.114.7-23.5000113.6Q145 Q148 M368 S479 V485 L486Q145-P483 WeakPolarHBondContact CB-O 3.37Å; Q148-P483 HydrophobicContact CB-CB 3.96Å; Q148-P483 HydrophobicContact CB-CG 4.14Å; Q148-P483 HydrophobicContact CG-CB 3.96Å; Q148-P483 HydrophobicContact CG-CG 3.82Å; M368-P483 HydrophobicContact CE-CG 4.34Å; M368-P483 HydrophobicContact SD-CB 3.72Å; M368-P483 HydrophobicContact SD-CG 3.66Å; S479-P483 WeakPolarHBondContact O-CD 3.33Å; P483-V485 VanDerWaalsContact C-N 3.27Å; P483-V485 PolarHBondContact O-N 3.32Å; P483-L486 WeakPolarHBondContact O-CB 3.39Å; P483-L486 PolarHBondContact O-N 3.44Å; P483-L486 VanDerWaalsContact O-N 3.14Å
484A89.7Confident87.7Confident36 Ų3641.2 Ų41.230%0.29823%0.228SC..Hα-helixtrans-64.2-32.1176.100000112.4T149 A481 A482 L486 I487T149-A484 PolarHBondContact OG1-N 2.77Å; A481-A484 WeakPolarHBondContact O-CB 3.48Å; A481-A484 PolarHBondContact O-N 3.2Å; A482-A484 PolarHBondContact O-N 3.4Å; A484-L486 VanDerWaalsContact C-N 3.27Å; A484-L486 PolarHBondContact O-N 2.88Å; A484-I487 VanDerWaalsContact O-CB 3.27Å; A484-I487 WeakPolarHBondContact O-CB 3.29Å; A484-I487 WeakPolarHBondContact O-CG1 3.39Å; A484-I487 PolarHBondContact O-N 2.93Å
485V90.3Very high87.5Confident21 Ų2141 Ų4113%0.12723%0.228CC..Hα-helixtrans-71.5-22.4176.9168.20000112.5F361 A481 A482 P483 I487 L488 P496 V499 Y500F361-V485 HydrophobicContact CE2-CB 4.25Å; F361-V485 HydrophobicContact CE2-CG2 3.81Å; F361-V485 HydrophobicContact CZ-CB 4.09Å; F361-V485 HydrophobicContact CZ-CG1 4.23Å; F361-V485 HydrophobicContact CZ-CG2 3.72Å; A481-V485 PolarHBondContact O-N 3.17Å; A482-V485 PolarHBondContact O-N 3.36Å; P483-V485 VanDerWaalsContact C-N 3.27Å; P483-V485 PolarHBondContact O-N 3.32Å; V485-I487 PolarHBondContact O-N 2.88Å; V485-L488 HydrophobicContact CB-CD1 4.3Å; V485-L488 HydrophobicContact CG1-CD1 4.2Å; V485-L488 HydrophobicContact CG2-CD1 4.36Å; V485-L488 WeakPolarHBondContact O-CB 3.3Å; V485-L488 WeakPolarHBondContact O-CD1 3.36Å; V485-L488 PolarHBondContact O-N 3.09Å; V485-L488 VanDerWaalsContact O-N 3.1Å; V485-P496 HydrophobicContact CG1-CB 4.33Å; V485-V499 HydrophobicContact CG1-CB 3.89Å; V485-V499 HydrophobicContact CG1-CG1 3.93Å; V485-V499 HydrophobicContact CG1-CG2 4.34Å; V485-V499 HydrophobicContact CG2-CG1 4.33Å; V485-Y500 HydrophobicContact CB-CE1 4.34Å; V485-Y500 HydrophobicContact CG1-CE1 4.2Å
486L85.8Confident87.4Confident8 Ų840.9 Ų40.94%0.04223%0.227CC..G310 helixtrans-66.5-15.3171.7-62.4176.8000112.9Q145 M368 D369 P483 A484 L488 D489 P496 Y500Q145-L486 HydrophobicContact CG-CB 4.09Å; M368-L486 HydrophobicContact CB-CD1 4.03Å; D369-L486 HydrophobicContact CB-CD1 4.42Å; D369-L486 HydrophobicContact CB-CD2 4Å; P483-L486 WeakPolarHBondContact O-CB 3.39Å; P483-L486 PolarHBondContact O-N 3.44Å; P483-L486 VanDerWaalsContact O-N 3.14Å; A484-L486 VanDerWaalsContact C-N 3.27Å; A484-L486 PolarHBondContact O-N 2.88Å; L486-L488 PolarHBondContact O-N 3.34Å; L486-D489 WeakPolarHBondContact O-CB 3.4Å; L486-D489 PolarHBondContact O-N 2.81Å; L486-P496 HydrophobicContact CD2-CB 4.1Å; L486-Y500 HydrophobicContact CD2-CE2 4Å; L486-Y500 WeakPolarHBondContact CD2-OH 3.46Å; L486-Y500 WeakPolarHBondContact CG-OH 3.4Å
487I85.7Confident87.2Confident61 Ų6141.1 Ų41.131%0.31323%0.232SC..G310 helixtrans-66.5-30173-58170.5000110.6P142 Q145 A484 V485 D489 E490P142-I487 HydrophobicContact CB-CD1 4.31Å; P142-I487 HydrophobicContact CB-CG1 4.23Å; P142-I487 HydrophobicContact CB-CG2 3.89Å; P142-I487 HydrophobicContact CG-CG2 4.06Å; Q145-I487 HydrophobicContact CB-CD1 4.28Å; Q145-I487 HydrophobicContact CB-CG1 3.82Å; Q145-I487 HydrophobicContact CG-CG1 4.16Å; A484-I487 VanDerWaalsContact O-CB 3.27Å; A484-I487 WeakPolarHBondContact O-CB 3.29Å; A484-I487 WeakPolarHBondContact O-CG1 3.39Å; A484-I487 PolarHBondContact O-N 2.93Å; V485-I487 PolarHBondContact O-N 2.88Å; I487-D489 PolarHBondContact O-N 3.45Å; I487-D489 VanDerWaalsContact O-N 3.12Å; I487-E490 PolarHBondContact O-N 3.37Å
488L83.4Confident87.1Confident67 Ų6742.9 Ų42.935%0.35124%0.24SC..G310 helixtrans-67.4-10.7176.8-70105.6000113.8V485 L486 E490 V491 F492 L495V485-L488 HydrophobicContact CB-CD1 4.3Å; V485-L488 HydrophobicContact CG1-CD1 4.2Å; V485-L488 HydrophobicContact CG2-CD1 4.36Å; V485-L488 WeakPolarHBondContact O-CB 3.3Å; V485-L488 WeakPolarHBondContact O-CD1 3.36Å; V485-L488 PolarHBondContact O-N 3.09Å; V485-L488 VanDerWaalsContact O-N 3.1Å; L486-L488 PolarHBondContact O-N 3.34Å; L488-E490 PolarHBondContact O-N 3.15Å; L488-V491 PolarHBondContact O-N 3.16Å; L488-V491 VanDerWaalsContact O-N 3.12Å; L488-F492 PolarHBondContact O-N 3.07Å; L488-F492 VanDerWaalsContact O-N 3.16Å; L488-L495 HydrophobicContact CB-CB 4.1Å; L488-L495 HydrophobicContact CB-CD1 4.38Å; L488-L495 HydrophobicContact CD2-CD1 4.23Å
489D81.4Confident87.2Confident20 Ų2045.6 Ų45.611%0.10726%0.256CS..G310 helixtrans-55.9-27.5171.8-169.758.8000112.5R141 K372 L486 I487 P496R141-D489 IonicContact CZ-OD2 3.72Å; R141-D489 IonicContact NH1-OD2 3.68Å; R141-D489 PolarHBondContact NH1-OD2 3.43Å; R141-D489 IonicContact NH2-OD2 2.83Å; R141-D489 PolarHBondContact NH2-OD2 3.44Å; K372-D489 VanDerWaalsContact CE-CG 3.48Å; K372-D489 WeakPolarHBondContact CE-OD1 3.45Å; K372-D489 IonicContact NZ-OD1 3.45Å; K372-D489 PolarHBondContact NZ-OD1 3.17Å; K372-D489 IonicContact NZ-OD2 3.19Å; L486-D489 WeakPolarHBondContact O-CB 3.4Å; L486-D489 PolarHBondContact O-N 2.81Å; I487-D489 PolarHBondContact O-N 3.45Å; I487-D489 VanDerWaalsContact O-N 3.12Å; D489-P496 HydrophobicContact CB-CG 4.08Å
490E75.1Confident87.2Confident91 Ų9145.8 Ų45.843%0.42526%0.257SS..G310 helixtrans-74.2-29.8179.3-63.1-175.7176.600113.2R141 P142 I487 L488R141-E490 WeakPolarHBondContact CB-OE1 3.44Å; P142-E490 WeakPolarHBondContact CD-OE1 3.32Å; P142-E490 WeakPolarHBondContact CG-OE1 3.49Å; I487-E490 PolarHBondContact O-N 3.37Å; L488-E490 PolarHBondContact O-N 3.15Å
491V81.7Confident87.1Confident118 Ų11843.1 Ų43.172%0.71524%0.244SC*.THydrogen-bonded Turntrans-81.8-48.1178.2-176.90000109.6L488 L495L488-V491 PolarHBondContact O-N 3.16Å; L488-V491 VanDerWaalsContact O-N 3.12Å; V491-L495 HydrophobicContact CB-CD1 4.2Å; V491-L495 HydrophobicContact CG1-CD1 4.28Å
492F81.5Confident87.2Confident118 Ų11842.8 Ų42.852%0.51824%0.244SC..  trans-154.5123.5177.6-165.7-110.2000110.9L488 A494 L495L488-F492 PolarHBondContact O-N 3.07Å; L488-F492 VanDerWaalsContact O-N 3.16Å; F492-A494 HydrophobicContact CD1-CB 3.69Å; F492-A494 HydrophobicContact CE1-CB 3.52Å; F492-A494 PolarHBondContact O-N 3.35Å; F492-L495 HydrophobicContact CB-CB 4.48Å; F492-L495 HydrophobicContact CB-CD1 3.61Å; F492-L495 HydrophobicContact CB-CG 3.79Å; F492-L495 HydrophobicContact CD1-CG 4.33Å; F492-L495 WeakPolarHBondContact O-CB 3.47Å; F492-L495 PolarHBondContact O-N 2.93Å
493P80Confident87.3Confident92 Ų9243.8 Ų43.860%0.59725%0.252SS*.THydrogen-bonded Turntrans-58.3-23.4-173.8-28.635.2000115.6
494A84.9Confident87.6Confident16 Ų1643.8 Ų43.813%0.13225%0.252CS..THydrogen-bonded Turntrans-86.6-16.4178.700000114.2I423 F492 S497 M498I423-A494 HydrophobicContact CG2-CB 3.73Å; F492-A494 HydrophobicContact CD1-CB 3.69Å; F492-A494 HydrophobicContact CE1-CB 3.52Å; F492-A494 PolarHBondContact O-N 3.35Å; A494-S497 PolarHBondContact O-N 3.01Å; A494-M498 WeakPolarHBondContact O-CG 3.44Å; A494-M498 PolarHBondContact O-N 3.1Å
495L87.6Confident87.9Confident46 Ų4644.8 Ų44.824%0.24125%0.254CS..Hα-helixtrans-58.5-45.8-174.7-83.8168.9000113.3L488 V491 F492 S497 M498 V499L488-L495 HydrophobicContact CB-CB 4.1Å; L488-L495 HydrophobicContact CB-CD1 4.38Å; L488-L495 HydrophobicContact CD2-CD1 4.23Å; V491-L495 HydrophobicContact CB-CD1 4.2Å; V491-L495 HydrophobicContact CG1-CD1 4.28Å; F492-L495 HydrophobicContact CB-CB 4.48Å; F492-L495 HydrophobicContact CB-CD1 3.61Å; F492-L495 HydrophobicContact CB-CG 3.79Å; F492-L495 HydrophobicContact CD1-CG 4.33Å; F492-L495 WeakPolarHBondContact O-CB 3.47Å; F492-L495 PolarHBondContact O-N 2.93Å; L495-S497 VanDerWaalsContact C-N 3.34Å; L495-S497 PolarHBondContact O-N 2.9Å; L495-M498 WeakPolarHBondContact O-CB 3.21Å; L495-M498 PolarHBondContact O-N 3.48Å; L495-M498 VanDerWaalsContact O-N 3.14Å; L495-V499 WeakPolarHBondContact O-CG2 3.22Å; L495-V499 PolarHBondContact O-N 3.14Å
496P89Confident88.2Confident0 Ų049.3 Ų49.30%028%0.277CS..Hα-helixtrans-57.9-46.5178.9-24.834000112.2V485 L486 D489 M498 V499 Y500V485-P496 HydrophobicContact CG1-CB 4.33Å; L486-P496 HydrophobicContact CD2-CB 4.1Å; D489-P496 HydrophobicContact CB-CG 4.08Å; P496-M498 VanDerWaalsContact C-N 3.33Å; P496-M498 PolarHBondContact O-N 2.8Å; P496-V499 PolarHBondContact O-N 3.27Å; P496-Y500 HydrophobicContact CB-CD2 4.43Å; P496-Y500 HydrophobicContact CB-CE2 3.91Å; P496-Y500 WeakPolarHBondContact O-CD2 3.48Å; P496-Y500 VanDerWaalsContact O-CG 3.29Å; P496-Y500 PolarHBondContact O-N 2.67Å
497S88.9Confident88.6Confident30 Ų3049 Ų4921%0.2128%0.276CS..Hα-helixtrans-61.6-39.2176.6-60.60000112.3I419 A494 L495 G501I419-S497 VanDerWaalsContact CG2-O 3.28Å; I419-S497 WeakPolarHBondContact CG2-O 3.3Å; A494-S497 PolarHBondContact O-N 3.01Å; L495-S497 VanDerWaalsContact C-N 3.34Å; L495-S497 PolarHBondContact O-N 2.9Å; S497-G501 PolarHBondContact O-N 2.87Å
498M91.6Very high89.1Confident92 Ų9246.5 Ų46.545%0.45326%0.263SS..Hα-helixtrans-63.4-41.6175.7-70.1176.668.900112.3I423 A494 L495 P496 G502I423-M498 HydrophobicContact CD1-CG 3.71Å; A494-M498 WeakPolarHBondContact O-CG 3.44Å; A494-M498 PolarHBondContact O-N 3.1Å; L495-M498 WeakPolarHBondContact O-CB 3.21Å; L495-M498 PolarHBondContact O-N 3.48Å; L495-M498 VanDerWaalsContact O-N 3.14Å; P496-M498 VanDerWaalsContact C-N 3.33Å; P496-M498 PolarHBondContact O-N 2.8Å; M498-G502 WeakPolarHBondContact O-CA 3.36Å; M498-G502 PolarHBondContact O-N 3.19Å
499V93.9Very high89.6Confident56 Ų5645 Ų4534%0.33926%0.264SS..Hα-helixtrans-70.3-43.5179.5179.20000110.7F361 V485 L495 P496 A503F361-V499 HydrophobicContact CE1-CG1 3.87Å; F361-V499 HydrophobicContact CZ-CG1 3.72Å; V485-V499 HydrophobicContact CG1-CB 3.89Å; V485-V499 HydrophobicContact CG1-CG1 3.93Å; V485-V499 HydrophobicContact CG1-CG2 4.34Å; V485-V499 HydrophobicContact CG2-CG1 4.33Å; L495-V499 WeakPolarHBondContact O-CG2 3.22Å; L495-V499 PolarHBondContact O-N 3.14Å; P496-V499 PolarHBondContact O-N 3.27Å; V499-A503 WeakPolarHBondContact O-CB 3.43Å; V499-A503 PolarHBondContact O-N 2.94Å
500Y92.5Very high90.2Very high4 Ų448 Ų482%0.01628%0.277CS..Hα-helixtrans-63.8-47.6175.9-62.1-46.9000112.4F361 G365 A482 V485 L486 P496 A504F361-Y500 AromaticContact CD1-CD1 3.74Å; F361-Y500 HydrophobicContact CD1-CD1 3.74Å; F361-Y500 HydrophobicContact CD1-CE1 4.26Å; F361-Y500 HydrophobicContact CD2-CE1 4.29Å; F361-Y500 AromaticContact CE1-CD1 3.31Å; F361-Y500 HydrophobicContact CE1-CD1 3.31Å; F361-Y500 AromaticContact CE1-CE1 3.76Å; F361-Y500 HydrophobicContact CE1-CE1 3.76Å; F361-Y500 HydrophobicContact CE1-CG 4.37Å; F361-Y500 HydrophobicContact CE2-CD1 4.21Å; F361-Y500 AromaticContact CE2-CE1 3.79Å; F361-Y500 HydrophobicContact CE2-CE1 3.79Å; F361-Y500 HydrophobicContact CG-CD1 4.34Å; F361-Y500 HydrophobicContact CG-CE1 4.49Å; F361-Y500 AromaticContact CZ-CD1 3.54Å; F361-Y500 HydrophobicContact CZ-CD1 3.54Å; F361-Y500 AromaticContact CZ-CE1 3.47Å; F361-Y500 HydrophobicContact CZ-CE1 3.47Å; F361-Y500 VanDerWaalsContact CZ-CE1 3.47Å; G365-Y500 WeakPolarHBondContact CA-OH 3.27Å; A482-Y500 HydrophobicContact CB-CE1 4.32Å; A482-Y500 PolarHBondContact O-OH 3Å; V485-Y500 HydrophobicContact CB-CE1 4.34Å; V485-Y500 HydrophobicContact CG1-CE1 4.2Å; L486-Y500 HydrophobicContact CD2-CE2 4Å; L486-Y500 WeakPolarHBondContact CD2-OH 3.46Å; L486-Y500 WeakPolarHBondContact CG-OH 3.4Å; P496-Y500 HydrophobicContact CB-CD2 4.43Å; P496-Y500 HydrophobicContact CB-CE2 3.91Å; P496-Y500 WeakPolarHBondContact O-CD2 3.48Å; P496-Y500 VanDerWaalsContact O-CG 3.29Å; P496-Y500 PolarHBondContact O-N 2.67Å; Y500-A504 PolarHBondContact O-N 2.9Å; Y500-A504 VanDerWaalsContact O-N 3.17Å
501G92.6Very high91Very high0 Ų043.7 Ų43.70%026%0.257CS..Hα-helixtrans-64.6-44.3177.600000112S497 A503 A504 V505S497-G501 PolarHBondContact O-N 2.87Å; G501-A503 PolarHBondContact O-N 2.97Å; G501-A504 WeakPolarHBondContact O-CB 3.26Å; G501-A504 PolarHBondContact O-N 3.45Å; G501-A504 VanDerWaalsContact O-N 3.16Å; G501-V505 WeakPolarHBondContact O-CG2 3.37Å; G501-V505 PolarHBondContact O-N 3.07Å
502G94.6Very high91.6Very high23 Ų2340.4 Ų40.424%0.23724%0.238CC..Hα-helixtrans-62-43.9178.400000112.7M498 A504 V505 L506M498-G502 WeakPolarHBondContact O-CA 3.36Å; M498-G502 PolarHBondContact O-N 3.19Å; G502-A504 VanDerWaalsContact C-N 3.31Å; G502-A504 PolarHBondContact O-N 2.8Å; G502-V505 PolarHBondContact O-N 2.83Å; G502-L506 WeakPolarHBondContact O-CG 3.15Å; G502-L506 PolarHBondContact O-N 2.99Å
503A95.1Very high92Very high20 Ų2040.3 Ų40.317%0.16524%0.238CC..Hα-helixtrans-58.4-43.8173.400000111.5S358 F361 V499 G501 L506 A507S358-A503 PolarHBondContact OG-O 3.05Å; F361-A503 HydrophobicContact CD1-CB 3.92Å; F361-A503 HydrophobicContact CE1-CB 4.09Å; V499-A503 WeakPolarHBondContact O-CB 3.43Å; V499-A503 PolarHBondContact O-N 2.94Å; G501-A503 PolarHBondContact O-N 2.97Å; A503-L506 PolarHBondContact O-N 3.12Å; A503-A507 WeakPolarHBondContact O-CB 3.2Å; A503-A507 PolarHBondContact O-N 3.28Å
504A94.9Very high92.5Very high0 Ų036.1 Ų36.10%021%0.21CC..Hα-helixtrans-65.1-37.917900000113S358 L412 A416 Y500 G501 G502 A507 S508S358-A504 VanDerWaalsContact OG-CA 3.3Å; S358-A504 WeakPolarHBondContact OG-CA 3.27Å; S358-A504 PolarHBondContact OG-N 3.08Å; S358-A504 VanDerWaalsContact OG-N 3.17Å; L412-A504 HydrophobicContact CD2-CB 4.44Å; A416-A504 HydrophobicContact CB-CB 3.97Å; Y500-A504 PolarHBondContact O-N 2.9Å; Y500-A504 VanDerWaalsContact O-N 3.17Å; G501-A504 WeakPolarHBondContact O-CB 3.26Å; G501-A504 PolarHBondContact O-N 3.45Å; G501-A504 VanDerWaalsContact O-N 3.16Å; G502-A504 VanDerWaalsContact C-N 3.31Å; G502-A504 PolarHBondContact O-N 2.8Å; A504-A507 PolarHBondContact O-N 2.79Å; A504-S508 WeakPolarHBondContact O-CB 3.34Å; A504-S508 PolarHBondContact O-N 2.78Å
505V96.4Very high92.7Very high57 Ų5738 Ų3835%0.34522%0.221SC..Hα-helixtrans-62.7-48.8172.8174.80000111.1A416 F420 G501 G502 A507 S508 G509A416-V505 HydrophobicContact CB-CG2 3.51Å; F420-V505 HydrophobicContact CE2-CG2 3.83Å; G501-V505 WeakPolarHBondContact O-CG2 3.37Å; G501-V505 PolarHBondContact O-N 3.07Å; G502-V505 PolarHBondContact O-N 2.83Å; V505-A507 VanDerWaalsContact C-N 3.32Å; V505-A507 PolarHBondContact O-N 3.32Å; V505-S508 WeakPolarHBondContact O-CB 3.16Å; V505-S508 PolarHBondContact O-N 2.81Å; V505-G509 PolarHBondContact O-N 3.11Å
506L95.6Very high92.7Very high117 Ų11738 Ų3861%0.61322%0.22SC*.Hα-helixtrans-59.4-45.8178.7-69174.1000110.8G502 A503 S508 G509 F510G502-L506 WeakPolarHBondContact O-CG 3.15Å; G502-L506 PolarHBondContact O-N 2.99Å; A503-L506 PolarHBondContact O-N 3.12Å; L506-S508 VanDerWaalsContact C-N 3.34Å; L506-S508 PolarHBondContact O-N 2.93Å; L506-G509 PolarHBondContact O-N 3.35Å; L506-G509 VanDerWaalsContact O-N 3.16Å; L506-F510 WeakPolarHBondContact O-CD2 3.33Å; L506-F510 PolarHBondContact O-N 3.32Å
507A95Very high92.6Very high2 Ų238.9 Ų38.92%0.01723%0.225CC..Hα-helixtrans-63.3-36.3176.700000113.2V355 L412 A503 A504 V505 G509 F510 A511V355-A507 WeakPolarHBondContact CG2-O 3.21Å; L412-A507 HydrophobicContact CD1-CB 3.98Å; A503-A507 WeakPolarHBondContact O-CB 3.2Å; A503-A507 PolarHBondContact O-N 3.28Å; A504-A507 PolarHBondContact O-N 2.79Å; V505-A507 VanDerWaalsContact C-N 3.32Å; V505-A507 PolarHBondContact O-N 3.32Å; A507-G509 VanDerWaalsContact C-N 3.33Å; A507-F510 PolarHBondContact O-N 3.5Å; A507-A511 WeakPolarHBondContact O-CB 3.36Å; A507-A511 PolarHBondContact O-N 2.89Å
508S95.3Very high92.2Very high7 Ų739.7 Ų39.75%0.04923%0.227CC..Hα-helixtrans-62.1-42.3172.7-172.60000111.3V409 A504 V505 L506 F510 A511 C512V409-S508 WeakPolarHBondContact CG1-OG 3Å; V409-S508 PolarHBondContact O-OG 3.12Å; V409-S508 VanDerWaalsContact O-OG 3.1Å; A504-S508 WeakPolarHBondContact O-CB 3.34Å; A504-S508 PolarHBondContact O-N 2.78Å; V505-S508 WeakPolarHBondContact O-CB 3.16Å; V505-S508 PolarHBondContact O-N 2.81Å; L506-S508 VanDerWaalsContact C-N 3.34Å; L506-S508 PolarHBondContact O-N 2.93Å; S508-F510 PolarHBondContact O-N 2.96Å; S508-A511 WeakPolarHBondContact O-CB 3.3Å; S508-A511 PolarHBondContact O-N 2.85Å; S508-C512 PolarHBondContact O-N 3.32Å; S508-C512 PolarHBondContact O-SG 2.84Å
509G94.6Very high91.5Very high36 Ų3642.6 Ų42.637%0.37124%0.244SC..Hα-helixtrans-59.1-43.4171.800000113.1V505 L506 A507 C512 F513V505-G509 PolarHBondContact O-N 3.11Å; L506-G509 PolarHBondContact O-N 3.35Å; L506-G509 VanDerWaalsContact O-N 3.16Å; A507-G509 VanDerWaalsContact C-N 3.33Å; G509-C512 WeakPolarHBondContact O-CB 3.5Å; G509-C512 PolarHBondContact O-N 2.84Å; G509-F513 WeakPolarHBondContact O-CD2 3.4Å
510F93.5Very high90.7Very high83 Ų8346 Ų4636%0.36426%0.255SS..Hα-helixtrans-65.5-38.8173.6-75.8-70000112.7C351 A354 L506 A507 S508 C512 F513C351-F510 HydrophobicContact CB-CB 4.42Å; A354-F510 HydrophobicContact CB-CB 4.17Å; A354-F510 HydrophobicContact CB-CD2 3.66Å; A354-F510 HydrophobicContact CB-CE2 4.21Å; A354-F510 HydrophobicContact CB-CG 3.89Å; L506-F510 WeakPolarHBondContact O-CD2 3.33Å; L506-F510 PolarHBondContact O-N 3.32Å; A507-F510 PolarHBondContact O-N 3.5Å; S508-F510 PolarHBondContact O-N 2.96Å; F510-C512 PolarHBondContact O-N 2.78Å; F510-F513 WeakPolarHBondContact O-CB 3.4Å; F510-F513 PolarHBondContact O-N 2.96Å
511A92.4Very high89.7Confident1 Ų151.5 Ų51.51%0.00829%0.291CS..Hα-helixtrans-63.1-31.2177.200000112.2V355 Q408 V409 A507 S508 F513 L514V355-A511 HydrophobicContact CG2-CB 3.9Å; Q408-A511 HydrophobicContact CG-CB 4.12Å; V409-A511 HydrophobicContact CG2-CB 3.71Å; A507-A511 WeakPolarHBondContact O-CB 3.36Å; A507-A511 PolarHBondContact O-N 2.89Å; S508-A511 WeakPolarHBondContact O-CB 3.3Å; S508-A511 PolarHBondContact O-N 2.85Å; A511-F513 PolarHBondContact O-N 3.13Å; A511-L514 WeakPolarHBondContact O-CB 3.33Å; A511-L514 PolarHBondContact O-N 3.42Å; A511-L514 VanDerWaalsContact O-N 3.1Å
512C92.9Very high88.9Confident48 Ų4855.8 Ų55.832%0.32431%0.313SS..THydrogen-bonded Turntrans-59.8-25.1172.8-72.50000113.1R405 S508 G509 F510R405-C512 VanDerWaalsContact CZ-O 3.22Å; R405-C512 PolarHBondContact NE-O 2.86Å; R405-C512 PolarHBondContact NH2-O 3.1Å; S508-C512 PolarHBondContact O-N 3.32Å; S508-C512 PolarHBondContact O-SG 2.84Å; G509-C512 WeakPolarHBondContact O-CB 3.5Å; G509-C512 PolarHBondContact O-N 2.84Å; F510-C512 PolarHBondContact O-N 2.78Å
513F90.6Very high87.9Confident117 Ų11755.7 Ų55.751%0.51331%0.309SS..THydrogen-bonded Turntrans-87.1-3.9179.1-65.4-59000114.3G509 F510 A511G509-F513 WeakPolarHBondContact O-CD2 3.4Å; F510-F513 WeakPolarHBondContact O-CB 3.4Å; F510-F513 PolarHBondContact O-N 2.96Å; A511-F513 PolarHBondContact O-N 3.13Å
514L90.8Very high86.7Confident4 Ų459 Ų592%0.02132%0.324CS..SBendtrans-79.7144.6175.7-66.6169.9000111.2I348 C351 L352 R405 Y454 L458 A511I348-L514 HydrophobicContact CG2-CD2 4.33Å; C351-L514 HydrophobicContact CB-CD1 4.42Å; C351-L514 HydrophobicContact CB-CD2 3.59Å; C351-L514 HydrophobicContact CB-CG 3.85Å; L352-L514 HydrophobicContact CD2-CD1 3.96Å; L352-L514 HydrophobicContact CD2-CD2 4.43Å; L352-L514 HydrophobicContact CG-CD2 4.17Å; R405-L514 WeakPolarHBondContact CD-O 3.47Å; R405-L514 PolarHBondContact NE-O 2.66Å; Y454-L514 HydrophobicContact CD1-CD1 4.23Å; Y454-L514 HydrophobicContact CE1-CB 3.89Å; Y454-L514 HydrophobicContact CE1-CD1 3.62Å; Y454-L514 HydrophobicContact CE1-CG 4.37Å; Y454-L514 WeakPolarHBondContact OH-CB 3.42Å; L458-L514 HydrophobicContact CD1-CD1 4.41Å; L458-L514 HydrophobicContact CD1-CD2 4.02Å; A511-L514 WeakPolarHBondContact O-CB 3.33Å; A511-L514 PolarHBondContact O-N 3.42Å; A511-L514 VanDerWaalsContact O-N 3.1Å
515P88.6Confident85.8Confident56 Ų5661.7 Ų61.736%0.36434%0.34SS..PPolyproline II helixtrans-78.5143.617931.3-33.3000111.9I348 Y454 L458I348-P515 HydrophobicContact CD1-CG 4.43Å; Y454-P515 WeakPolarHBondContact CE2-O 3.29Å; Y454-P515 PolarHBondContact OH-O 2.84Å; L458-P515 HydrophobicContact CD2-CG 3.49Å; L458-P515 VanDerWaalsContact CD2-CG 3.49Å
516E89.1Confident84.8Confident46 Ų4661 Ų6122%0.21533%0.334CS..PPolyproline II helixtrans-69.7137.1175.3-176.154.7-104.600111.4R404 R405 L518 K520R404-E516 PolarHBondContact N-OE1 3.33Å; R404-E516 PolarHBondContact N-OE2 3.28Å; R405-E516 HydrophobicContact CB-CB 4.47Å; R405-E516 WeakPolarHBondContact CB-OE2 3Å; R405-E516 PolarHBondContact N-OE2 2.63Å; E516-L518 HydrophobicContact CG-CB 4.1Å; E516-L518 WeakPolarHBondContact OE1-CB 3.36Å; E516-L518 PolarHBondContact OE1-N 3.27Å; E516-K520 WeakPolarHBondContact O-CD 3.42Å; E516-K520 WeakPolarHBondContact O-CE 3.33Å; E516-K520 PolarHBondContact O-NZ 2.95Å
517T85.3Confident83.6Confident17 Ų1762.2 Ų62.210%0.10433%0.334CS..  trans-112.6-7.7-176.6530000113.5R404 Y454 E457 L458 N519 K520R404-T517 WeakPolarHBondContact CD-OG1 3.5Å; R404-T517 WeakPolarHBondContact CG-OG1 3.38Å; Y454-T517 HydrophobicContact CD2-CG2 4.13Å; Y454-T517 HydrophobicContact CE2-CG2 3.77Å; E457-T517 HydrophobicContact CB-CG2 3.97Å; E457-T517 VanDerWaalsContact OE2-CB 3.26Å; E457-T517 WeakPolarHBondContact OE2-CB 3.2Å; E457-T517 PolarHBondContact OE2-OG1 3.19Å; L458-T517 HydrophobicContact CD2-CG2 4.05Å; L458-T517 HydrophobicContact CG-CG2 4.26Å; T517-N519 PolarHBondContact O-N 3.28Å; T517-K520 PolarHBondContact O-N 2.97Å; T517-K520 VanDerWaalsContact O-N 3.16Å
518L81.1Confident82.5Confident48 Ų4864.8 Ų64.825%0.25135%0.348SS..THydrogen-bonded Turntrans-52.4125.5176.3-177.666.6000111.7E516 K520E516-L518 HydrophobicContact CG-CB 4.1Å; E516-L518 WeakPolarHBondContact OE1-CB 3.36Å; E516-L518 PolarHBondContact OE1-N 3.27Å; L518-K520 PolarHBondContact O-N 3.06Å; L518-K520 VanDerWaalsContact O-N 3.13Å
519N76.9Confident81.6Confident152 Ų15264.9 Ų64.981%0.81335%0.348SS*.THydrogen-bonded Turntrans5620.9179.2-60.5-27.8000115.6T517T517-N519 PolarHBondContact O-N 3.28Å
520K76.7Confident80.7Confident128 Ų12867.4 Ų67.456%0.55735%0.35SS*.PPolyproline II helixtrans-99.3145.9173.5-67.6-174.2-174.71670111.3E516 T517 L518E516-K520 WeakPolarHBondContact O-CD 3.42Å; E516-K520 WeakPolarHBondContact O-CE 3.33Å; E516-K520 PolarHBondContact O-NZ 2.95Å; T517-K520 PolarHBondContact O-N 2.97Å; T517-K520 VanDerWaalsContact O-N 3.16Å; L518-K520 PolarHBondContact O-N 3.06Å; L518-K520 VanDerWaalsContact O-N 3.13Å
521P71.6Confident79.4Confident120 Ų12069.1 Ų69.178%0.77936%0.359SS*.PPolyproline II helixtrans-62.9148.2172.427.9-33.7000110.4
522L76.4Confident77.8Confident90 Ų9074.6 Ų74.647%0.47139%0.388SS..PPolyproline II helixtrans-67.1132175.9-71.9158.4000108.9E457 D524E457-L522 HydrophobicContact CB-CD2 4.24Å; E457-L522 HydrophobicContact CG-CD2 4.16Å; L522-D524 PolarHBondContact O-N 2.83Å
523P74.3Confident75.3Confident21 Ų2182.1 Ų82.114%0.13641%0.41CS..PPolyproline II helixtrans-68.6131.9175.726.5-30.8000109.4E457 P460 T461 D528 V529E457-P523 WeakPolarHBondContact O-CD 3.43Å; P460-P523 WeakPolarHBondContact CA-O 3.31Å; P460-P523 HydrophobicContact CB-CB 4.18Å; P460-P523 HydrophobicContact CB-CG 4.38Å; T461-P523 PolarHBondContact N-O 2.97Å; T461-P523 VanDerWaalsContact N-O 3.13Å; P523-D528 HydrophobicContact CB-CB 4.29Å; P523-V529 HydrophobicContact CB-CG2 3.57Å; P523-V529 HydrophobicContact CG-CG2 3.94Å
524D68.9Low72.7Confident90 Ų9080.9 Ų80.948%0.48142%0.416SS..  trans-95.8-39.1178.5-78.6-36.3000110.7T461 L522 D528T461-D524 VanDerWaalsContact CG2-OD1 3.32Å; T461-D524 WeakPolarHBondContact CG2-OD1 3.46Å; T461-D524 WeakPolarHBondContact OG1-CA 3.29Å; T461-D524 PolarHBondContact OG1-O 3.09Å; T461-D524 PolarHBondContact OG1-OD1 2.91Å; L522-D524 PolarHBondContact O-N 2.83Å; D524-D528 PolarHBondContact N-OD2 3.02Å
525T75.9Confident70.1Confident56 Ų5689.7 Ų89.734%0.34446%0.457SS..SBendtrans-114.3161.8-179.1840000113.4K527 D528 V529T525-K527 PolarHBondContact O-N 3.24Å; T525-K527 PolarHBondContact OG1-N 3.25Å; T525-D528 PolarHBondContact N-OD2 3.5Å; T525-D528 PolarHBondContact O-N 3.23Å; T525-D528 PolarHBondContact OG1-N 2.95Å; T525-D528 PolarHBondContact OG1-OD1 2.74Å; T525-D528 PolarHBondContact OG1-OD2 2.9Å; T525-V529 PolarHBondContact O-N 3.31Å
526I75.6Confident67.6Low41 Ų4190.4 Ų90.421%0.2147%0.474CS..Hα-helixtrans-61.6-33.6172.1-67.8170.9000110.9I345 P460 V462 I463 V529 E530I345-I526 HydrophobicContact CD1-CB 4Å; I345-I526 HydrophobicContact CD1-CD1 4.41Å; I345-I526 HydrophobicContact CD1-CG1 3.72Å; I345-I526 HydrophobicContact CD1-CG2 3.52Å; P460-I526 HydrophobicContact CG-CG1 4.28Å; V462-I526 HydrophobicContact CG2-CG1 4.16Å; I463-I526 HydrophobicContact CD1-CG1 4.31Å; I463-I526 HydrophobicContact CG2-CD1 4.23Å; I526-V529 WeakPolarHBondContact O-CB 3.39Å; I526-V529 PolarHBondContact O-N 2.99Å; I526-E530 PolarHBondContact O-N 2.89Å; I526-E530 VanDerWaalsContact O-N 3.13Å
527K70.7Confident64.9Low143 Ų14393.2 Ų93.262%0.62250%0.499SS*.Hα-helixtrans-67.3-40.8178.9-64.5-176.4179.2-178.50111.6T525 V529 E530 E531T525-K527 PolarHBondContact O-N 3.24Å; T525-K527 PolarHBondContact OG1-N 3.25Å; K527-V529 PolarHBondContact O-N 3.47Å; K527-E530 CarbonylContact O-C 3.56Å; K527-E530 WeakPolarHBondContact O-CA 3.17Å; K527-E530 PolarHBondContact O-N 2.71Å; K527-E531 WeakPolarHBondContact O-CB 3.33Å; K527-E531 WeakPolarHBondContact O-CG 3.37Å; K527-E531 PolarHBondContact O-N 3.1Å
528D72.4Confident62.1Low57 Ų5798.9 Ų98.931%0.30554%0.537SS..Hα-helixtrans-58-36.4175.8-48.4-11.9000111.6P523 D524 T525 N532P523-D528 HydrophobicContact CB-CB 4.29Å; D524-D528 PolarHBondContact N-OD2 3.02Å; T525-D528 PolarHBondContact N-OD2 3.5Å; T525-D528 PolarHBondContact O-N 3.23Å; T525-D528 PolarHBondContact OG1-N 2.95Å; T525-D528 PolarHBondContact OG1-OD1 2.74Å; T525-D528 PolarHBondContact OG1-OD2 2.9Å; D528-N532 PolarHBondContact O-ND2 3.04Å
529V76.4Confident59.5Low9 Ų999.9 Ų99.96%0.05556%0.56CS.*Hα-helixtrans-67.8-44.8175.3177.90000109.6R344 I345 I348 P460 P523 T525 I526 K527R344-V529 HydrophobicContact CB-CG1 4.46Å; R344-V529 WeakPolarHBondContact CD-O 3.36Å; R344-V529 HydrophobicContact CG-CG1 4.22Å; R344-V529 PolarHBondContact NE-O 2.99Å; R344-V529 PolarHBondContact NH1-O 3.15Å; I345-V529 HydrophobicContact CG1-CG1 4.02Å; I348-V529 HydrophobicContact CD1-CG1 4.07Å; P460-V529 HydrophobicContact CB-CG2 4.05Å; P460-V529 HydrophobicContact CG-CG2 3.93Å; P523-V529 HydrophobicContact CB-CG2 3.57Å; P523-V529 HydrophobicContact CG-CG2 3.94Å; T525-V529 PolarHBondContact O-N 3.31Å; I526-V529 WeakPolarHBondContact O-CB 3.39Å; I526-V529 PolarHBondContact O-N 2.99Å; K527-V529 PolarHBondContact O-N 3.47Å
530E74.6Confident57.1Low88 Ų8898.2 Ų98.241%0.41156%0.56SS.*Hα-helixtrans-70.1-41.7-178.9-69.9-175.3-152.800114.6T342 R344 I526 K527 N532T342-E530 VanDerWaalsContact CB-OE1 3.26Å; T342-E530 WeakPolarHBondContact CB-OE1 3.27Å; T342-E530 HydrophobicContact CG2-CG 3.44Å; T342-E530 VanDerWaalsContact CG2-CG 3.44Å; T342-E530 WeakPolarHBondContact CG2-OE1 3.25Å; T342-E530 PolarHBondContact OG1-OE1 3.1Å; R344-E530 PolarHBondContact NH2-O 3.19Å; I526-E530 PolarHBondContact O-N 2.89Å; I526-E530 VanDerWaalsContact O-N 3.13Å; K527-E530 CarbonylContact O-C 3.56Å; K527-E530 WeakPolarHBondContact O-CA 3.17Å; K527-E530 PolarHBondContact O-N 2.71Å; E530-N532 PolarHBondContact O-N 3.41Å; E530-N532 VanDerWaalsContact C-N 3.35Å
531E66.4Low54.8Low119 Ų119100.8 Ų100.856%0.55657%0.574SS**Hα-helixtrans-75.6-17.3-173.4-73.8175.2-173.800114K527 R533 S534K527-E531 WeakPolarHBondContact O-CB 3.33Å; K527-E531 WeakPolarHBondContact O-CG 3.37Å; K527-E531 PolarHBondContact O-N 3.1Å; E531-R533 PolarHBondContact O-N 3.32Å; E531-S534 PolarHBondContact O-N 3.19Å; E531-S534 PolarHBondContact O-OG 2.97Å
532N57.9Low52.7Low116 Ų116103.3 Ų103.362%0.6258%0.579SS**THydrogen-bonded Turntrans-64.829.2173.6-97.3-50.5000113.9R344 D528 E530R344-N532 PolarHBondContact NH1-O 2.88Å; R344-N532 VanDerWaalsContact NH1-O 3.17Å; R344-N532 VanDerWaalsContact NH2-C 3.3Å; R344-N532 PolarHBondContact NH2-O 3.36Å; D528-N532 PolarHBondContact O-ND2 3.04Å; E530-N532 PolarHBondContact O-N 3.41Å; E530-N532 VanDerWaalsContact C-N 3.35Å
533R41.9Very low50.4Low207 Ų207108.1 Ų108.178%0.78160%0.597SS**THydrogen-bonded Turntrans-119-14.4164.5-125.1-175.7168.8-176-5.8113.3R344 E531 E535 G536R344-R533 VanDerWaalsContact NH2-N 3.14Å; E531-R533 PolarHBondContact O-N 3.32Å; R533-E535 VanDerWaalsContact C-N 3.26Å; R533-E535 PolarHBondContact O-N 3.22Å; R533-G536 PolarHBondContact O-N 3.38Å
534S34.9Very low48.2Very low90 Ų90116.5 Ų116.563%0.62963%0.634SS**THydrogen-bonded Turntrans-67.4-27.2-173.9-410000112.7E531E531-S534 PolarHBondContact O-N 3.19Å; E531-S534 PolarHBondContact O-OG 2.97Å
535E37.7Very low46.2Very low190 Ų190115.4 Ų115.489%0.88864%0.644SS**THydrogen-bonded Turntrans-94.82.1-178.5-66.2-177.1159.600113.9R533R533-E535 VanDerWaalsContact C-N 3.26Å; R533-E535 PolarHBondContact O-N 3.22Å
536G34.3Very low43.9Very low70 Ų70119.1 Ų119.172%0.72267%0.666SS**SBendtrans-91.1-4.6-178.700000115.3R533R533-G536 PolarHBondContact O-N 3.38Å
537S33.2Very low41.5Very low105 Ų105121.5 Ų121.573%0.73469%0.692SS**SBendtrans-160.5115.6176.7-162.40000109.8
538C27.4Very low39.3Very low136 Ų136122.4 Ų122.492%0.91970%0.703SS**SBendtrans90100.7178.9-140.60000115.7
539G26.2Very low37Very low70 Ų70129.4 Ų129.472%0.72273%0.731SS**  trans157.166.7172.700000112.3H541G539-H541 PolarHBondContact O-N 2.83Å
540S26.9Very low34.5Very low117 Ų117138.2 Ų138.282%0.81877%0.771SS**  trans-48122.1160.6470000109.2L542S540-L542 PolarHBondContact O-N 3.24Å
541H27.1Very low32.1Very low182 Ų182137.4 Ų137.484%0.84379%0.786SS**  trans-42.6105.8171.1-84.9-83.3000111.1G539 K543G539-H541 PolarHBondContact O-N 2.83Å; H541-K543 PolarHBondContact O-N 3.47Å
542L27.8Very low30.1Very low172 Ų172138.4 Ų138.490%0.90180%0.801SS**  trans-69.4108.1151.3-112.9139.8000105.5S540 E544S540-L542 PolarHBondContact O-N 3.24Å; L542-E544 PolarHBondContact O-N 2.97Å
543K28Very low28.5Very low192 Ų192139.5 Ų139.584%0.83581%0.811SS**  trans-58.5110.8173.2-71.1174.8173.1178.90108.8H541 G545H541-K543 PolarHBondContact O-N 3.47Å; K543-G545 VanDerWaalsContact C-N 3.34Å; K543-G545 PolarHBondContact O-N 3.42Å
544E27.9Very low27.5Very low196 Ų196134.5 Ų134.592%0.91681%0.808SS**  trans-7697.7148-86.8-176.5157.700107.1L542 V546L542-E544 PolarHBondContact O-N 2.97Å; E544-V546 PolarHBondContact O-N 2.91Å
545G26.5Very low27.3Very low68 Ų68135.6 Ų135.670%0.70181%0.813SS**  trans-70118.3171.100000109.9K543 A547K543-G545 VanDerWaalsContact C-N 3.34Å; K543-G545 PolarHBondContact O-N 3.42Å; G545-A547 PolarHBondContact O-N 3.47Å; G545-A547 VanDerWaalsContact O-N 3.13Å
546V28Very low26.6Very low133 Ų133134.3 Ų134.381%0.80681%0.812SS**  trans-63.5104.8154.7174.90000106.8E544 L548E544-V546 PolarHBondContact O-N 2.91Å; V546-L548 PolarHBondContact O-N 3.01Å; V546-L548 VanDerWaalsContact O-N 3.12Å
547A24.5Very low26.1Very low91 Ų91138.5 Ų138.575%0.75282%0.818SS**  trans-74.296170.600000109.1G545 K549G545-A547 PolarHBondContact O-N 3.47Å; G545-A547 VanDerWaalsContact O-N 3.13Å; A547-K549 PolarHBondContact O-N 3.1Å
548L25.3Very low25.6Very low162 Ų162144.6 Ų144.685%0.84883%0.825SS**  trans-67.4107153.9-84.4156.4000107.5V546V546-L548 PolarHBondContact O-N 3.01Å; V546-L548 VanDerWaalsContact O-N 3.12Å
549K24.5Very low25.4Very low204 Ų204144.5 Ų144.589%0.88782%0.815SS**  trans-88.1103.8161.1-91.1-173.8172.5-177.60107.9A547A547-K549 PolarHBondContact O-N 3.1Å
550E23.1Very low25.3Very low194 Ų194146.8 Ų146.891%0.90782%0.815SS**  trans-73.2124.7152-77.1-179.9158.800108
551G25.1Very low25.2Very low71 Ų71146.6 Ų146.673%0.73281%0.809SS**  trans-147.694.6174.100000108.1V553G551-V553 PolarHBondContact O-N 3.34Å
552V23.5Very low25Very low141 Ų141143.4 Ų143.486%0.85580%0.802SS**  trans-60.6120.2171171.60000109.1
553V24.2Very low24.9Very low139 Ų139143.5 Ų143.584%0.84280%0.796SS**  trans-145.4121.7155.8-178.20000108.7G551G551-V553 PolarHBondContact O-N 3.34Å
554S22.6Very low24.8Very low101 Ų101142.9 Ų142.971%0.70680%0.795SS**  trans-72162.7169.7-77.90000111.7
555P29.5Very low24.6Very low114 Ų114136.5 Ų136.574%0.7478%0.782SS**  trans-87.6147.8-155.735.2-31.5000112.4
556D23.5Very low24.5Very low162 Ų162139.8 Ų139.887%0.86679%0.789SS**  trans-159.7143.3146-89.5-31.1000110.9
557D23.5Very low24.3Very low159 Ų159137.6 Ų137.685%0.8578%0.784SS**  trans74.8118.1165.6-81.3-19.1000123.2
558W23Very low24.4Very low232 Ų232140.2 Ų140.288%0.87979%0.785SS**  trans-73.5141160.7-79.468.3000110.6
559D23.1Very low24.5Very low134 Ų134141.8 Ų141.872%0.71779%0.785SS**  168.5123.8121.8-86.7-21000111.5
560V23.7Very low24.5Very low118 Ų118135.2 Ų135.272%0.71578%0.775SS**  67.1136.5104.7-161.40000115.2
561V24.3Very low24.7Very low114 Ų114133.2 Ų133.269%0.69177%0.77SS**  trans110100.3146.1-170.20000118.5
562T24.5Very low24.7Very low115 Ų115137.4 Ų137.471%0.70678%0.776SS**  42.9140.6128.477.90000125.8
563K24.4Very low25Very low174 Ų174138.9 Ų138.976%0.75777%0.773SS**  67.9144.9126.5-87.5-173.5171.4-171.50123.1
564E25.3Very low25.1Very low178 Ų178142.2 Ų142.283%0.83278%0.776SS**  trans71.4141.9156.6-70.6165.2-160.700115.3
565G23.7Very low25.4Very low62 Ų62146.8 Ų146.864%0.63979%0.786SS**  cis153.4157.511.500000107.5
566V24.6Very low25.3Very low138 Ų138145.2 Ų145.284%0.83679%0.791SS**  trans73.4108.8159-167.90000115.9
567A24.7Very low25.6Very low86 Ų86143.4 Ų143.471%0.71179%0.791SS**  80.7140.970.500000116.8
568L26.9Very low25.7Very low146 Ų146138.9 Ų138.976%0.76478%0.782SS**  trans109.5127.4148.8-78.4151.5000121.6
569K26Very low26.1Very low195 Ų195135.9 Ų135.985%0.84878%0.782SS**  trans76.4135.1145.5-77.4170.8174.3178.70118.2
570G25Very low26.4Very low66 Ų66134.3 Ų134.368%0.6878%0.782SS**  cis174.9165.22.300000112.6
571L27Very low26.9Very low153 Ų153133.2 Ų133.280%0.80179%0.786SS**  trans51.3116.1146.2-69.7155.6000120.2
572N26.7Very low27.4Very low159 Ų159139.3 Ų139.385%0.8581%0.813SS**  -167.4132.9100.3-100.1-15.8000113.3
573E28Very low27.5Very low172 Ų172140.6 Ų140.680%0.80482%0.818SS**  trans-68.6149.6170-64.4164.6137.800112
574K27.6Very low27.7Very low208 Ų208138.8 Ų138.890%0.90482%0.822SS**  -168.8114.7116.8-106.7178.9-179.1-178.80111.4
575E29.3Very low27.8Very low197 Ų197136.6 Ų136.692%0.92182%0.821SS**  trans-62.8159.7160.4-73.9175.3125.800112
576G25.7Very low28Very low82 Ų82141 Ų14185%0.84583%0.832SS**  trans178.181.1166.300000111.4
577S30.2Very low28.3Very low123 Ų123141.2 Ų141.286%0.8683%0.832SS**  trans-82162.6-177.850.60000114.2
578G27Very low28.5Very low65 Ų65144.9 Ų144.967%0.6784%0.84SS**  trans109.7145.2153.400000115.1
579L30.9Very low28.6Very low168 Ų168144.8 Ų144.888%0.8885%0.845SS**  cis-167.1168.2-4.1-139.4110.1000107.2
580S28.7Very low28.8Very low101 Ų101140.9 Ų140.971%0.70685%0.845SS**  trans-58.3153.5-17955.40000119
581A34Very low29.1Very low96 Ų96147.2 Ų147.279%0.79386%0.858SS**  trans163.1133.6138.300000106.8
582L34.7Very low29.3Very low242 Ų242146.6 Ų146.6100%1.26786%0.864SS**  cis-158.2029.7-118.1153.8000108.7

Retrieved 582 of 582 residues in 155.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).