A0A087YM08_POEFO Loading...

Solute carrier family 22 member 6

AlphaFold DB , UniProt , Accession A0A087YM08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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
1M51.5Low70.2Confident145 Ų14540.4 Ų40.471%0.71422%0.223SC*.  0143.80-68.4179.6-171.500107.3D5 S318M1-D5 WeakPolarHBondContact CA-OD2 3.48Å; M1-D5 HydrophobicContact CB-CB 4.27Å; M1-S318 WeakPolarHBondContact O-CA 3.28Å; M1-S318 WeakPolarHBondContact O-CB 3.44Å
2A67.9Low69.8Low51 Ų5137.8 Ų37.842%0.42121%0.209SC..  trans-82157.9171.100000109.5A4 D5A2-A4 PolarHBondContact O-N 3.36Å; A2-A4 VanDerWaalsContact O-N 3.11Å; A2-D5 PolarHBondContact N-OD2 3.18Å; A2-D5 WeakPolarHBondContact O-CB 3.45Å; A2-D5 PolarHBondContact O-N 3.36Å
3F71.9Confident69.8Low8 Ų841.2 Ų41.24%0.03523%0.232CC..Hα-helixtrans-55.1-29.4173.8-178.9-95.8000112.8D5 L6 L7 R279 L315 M319F3-D5 VanDerWaalsContact C-N 3.32Å; F3-D5 PolarHBondContact O-N 3.4Å; F3-L6 WeakPolarHBondContact O-CB 3.5Å; F3-L6 PolarHBondContact O-N 3.4Å; F3-L7 HydrophobicContact CE1-CD1 3.91Å; F3-L7 HydrophobicContact CZ-CD1 4.15Å; F3-L7 PolarHBondContact O-N 3Å; F3-L7 VanDerWaalsContact O-N 3.16Å; F3-R279 HydrophobicContact CD1-CB 4.47Å; F3-R279 HydrophobicContact CD1-CG 4.47Å; F3-R279 HydrophobicContact CE1-CB 3.91Å; F3-R279 HydrophobicContact CE1-CG 4.39Å; F3-R279 HydrophobicContact CE2-CB 4.25Å; F3-R279 HydrophobicContact CZ-CB 3.79Å; F3-L315 HydrophobicContact CD2-CD1 4.11Å; F3-L315 HydrophobicContact CE2-CD1 4.05Å; F3-M319 HydrophobicContact CB-CG 4.32Å; F3-M319 HydrophobicContact CD2-CG 4Å; F3-M319 HydrophobicContact CD2-SD 3.65Å; F3-M319 HydrophobicContact CE2-SD 4.09Å; F3-M319 HydrophobicContact CG-SD 4.49Å
4A70Confident70.5Confident21 Ų2139.6 Ų39.617%0.17423%0.23CC..Hα-helixtrans-60.3-38.9174.100000112.7A2 L6 L7 E8A2-A4 PolarHBondContact O-N 3.36Å; A2-A4 VanDerWaalsContact O-N 3.11Å; A4-L6 VanDerWaalsContact C-N 3.35Å; A4-L6 PolarHBondContact O-N 3.02Å; A4-L7 WeakPolarHBondContact O-CB 3.29Å; A4-L7 PolarHBondContact O-N 3.5Å; A4-L7 VanDerWaalsContact O-N 3.14Å; A4-E8 PolarHBondContact O-N 3.08Å
5D70.9Confident71.3Confident67 Ų6751.1 Ų51.136%0.35827%0.268SS..Hα-helixtrans-67.3-37.3-179.7-50.7-23.4000111.2M1 A2 F3 L7 E8 Q9M1-D5 WeakPolarHBondContact CA-OD2 3.48Å; M1-D5 HydrophobicContact CB-CB 4.27Å; A2-D5 PolarHBondContact N-OD2 3.18Å; A2-D5 WeakPolarHBondContact O-CB 3.45Å; A2-D5 PolarHBondContact O-N 3.36Å; F3-D5 VanDerWaalsContact C-N 3.32Å; F3-D5 PolarHBondContact O-N 3.4Å; D5-L7 VanDerWaalsContact C-N 3.32Å; D5-E8 PolarHBondContact O-N 3.02Å; D5-Q9 PolarHBondContact O-N 3.28Å; D5-Q9 VanDerWaalsContact O-N 3.09Å
6L73.2Confident72.2Confident1 Ų147.9 Ų47.91%0.00525%0.251CS..Hα-helixtrans-63.1-39.1172.2-87.9162.1000111.6F3 A4 E8 Q9 V10 I310 M314 L315 S318F3-L6 WeakPolarHBondContact O-CB 3.5Å; F3-L6 PolarHBondContact O-N 3.4Å; A4-L6 VanDerWaalsContact C-N 3.35Å; A4-L6 PolarHBondContact O-N 3.02Å; L6-E8 VanDerWaalsContact C-N 3.29Å; L6-E8 PolarHBondContact O-N 3.33Å; L6-Q9 PolarHBondContact O-N 3.24Å; L6-V10 WeakPolarHBondContact O-CG2 3.35Å; L6-V10 PolarHBondContact O-N 3.19Å; L6-I310 HydrophobicContact CD2-CD1 4.33Å; L6-I310 HydrophobicContact CD2-CG1 4.18Å; L6-I310 HydrophobicContact CD2-CG2 4.2Å; L6-M314 HydrophobicContact CD2-CG 4.31Å; L6-M314 HydrophobicContact CD2-SD 3.95Å; L6-L315 HydrophobicContact CD1-CD1 4.11Å; L6-S318 VanDerWaalsContact CD1-CB 3.41Å; L6-S318 WeakPolarHBondContact CD1-OG 3.47Å
7L75.8Confident73Confident1 Ų145.6 Ų45.61%0.00524%0.239CC..Hα-helixtrans-68-32177.2-144.786.2000111.9F3 A4 D5 V10 G11 S12 W219F3-L7 HydrophobicContact CE1-CD1 3.91Å; F3-L7 HydrophobicContact CZ-CD1 4.15Å; F3-L7 PolarHBondContact O-N 3Å; F3-L7 VanDerWaalsContact O-N 3.16Å; A4-L7 WeakPolarHBondContact O-CB 3.29Å; A4-L7 PolarHBondContact O-N 3.5Å; A4-L7 VanDerWaalsContact O-N 3.14Å; D5-L7 VanDerWaalsContact C-N 3.32Å; L7-V10 PolarHBondContact O-N 3.21Å; L7-G11 PolarHBondContact O-N 2.94Å; L7-S12 WeakPolarHBondContact O-CA 3.19Å; L7-S12 PolarHBondContact O-N 3.04Å; L7-W219 WeakPolarHBondContact CD2-O 3.43Å
8E77.5Confident73.8Confident82 Ų8247.6 Ų47.638%0.38325%0.253SS..Hα-helixtrans-67.1-41.4172.5-71.4-165.9160.800112.9A4 D5 L6 V10 G11A4-E8 PolarHBondContact O-N 3.08Å; D5-E8 PolarHBondContact O-N 3.02Å; L6-E8 VanDerWaalsContact C-N 3.29Å; L6-E8 PolarHBondContact O-N 3.33Å; E8-V10 VanDerWaalsContact C-N 3.26Å; E8-V10 PolarHBondContact O-N 3.29Å; E8-G11 PolarHBondContact O-N 2.95Å
9Q71.1Confident74.6Confident61 Ų6148.7 Ų48.729%0.28526%0.258SS..Hα-helixtrans-61.6-34.3173.3-70.5175.9-3.600112.4D5 L6 G11 R303D5-Q9 PolarHBondContact O-N 3.28Å; D5-Q9 VanDerWaalsContact O-N 3.09Å; L6-Q9 PolarHBondContact O-N 3.24Å; Q9-G11 PolarHBondContact O-N 3.48Å; Q9-R303 WeakPolarHBondContact O-CD 3.34Å
10V73Confident75.3Confident1 Ų146.3 Ų46.31%0.00625%0.246CC..THydrogen-bonded Turntrans-77.3-2177176.30000112.6L6 L7 E8 L294 V297 A298 N301 I310L6-V10 WeakPolarHBondContact O-CG2 3.35Å; L6-V10 PolarHBondContact O-N 3.19Å; L7-V10 PolarHBondContact O-N 3.21Å; E8-V10 VanDerWaalsContact C-N 3.26Å; E8-V10 PolarHBondContact O-N 3.29Å; V10-L294 HydrophobicContact CG2-CD2 4.44Å; V10-V297 HydrophobicContact CG1-CB 4Å; V10-V297 HydrophobicContact CG1-CG1 3.73Å; V10-A298 HydrophobicContact CG1-CB 3.97Å; V10-A298 HydrophobicContact CG2-CB 4.46Å; V10-N301 PolarHBondContact O-ND2 2.69Å; V10-I310 HydrophobicContact CG2-CD1 3.33Å
11G69.9Low75.9Confident6 Ų645.2 Ų45.26%0.06224%0.241CC..THydrogen-bonded Turntrans88.681.9-178.800000111.2L7 E8 Q9 T13 G14 Q17 N301L7-G11 PolarHBondContact O-N 2.94Å; E8-G11 PolarHBondContact O-N 2.95Å; Q9-G11 PolarHBondContact O-N 3.48Å; G11-T13 PolarHBondContact O-N 2.82Å; G11-G14 PolarHBondContact O-N 3.32Å; G11-G14 VanDerWaalsContact O-N 3.14Å; G11-Q17 PolarHBondContact O-NE2 3.16Å; G11-Q17 PolarHBondContact O-OE1 3.22Å; G11-N301 PolarHBondContact O-ND2 3.5Å; G11-N301 VanDerWaalsContact O-ND2 3.13Å
12S64.9Low77.7Confident9 Ų943 Ų436%0.06323%0.231CC..THydrogen-bonded Turntrans-63.9-13-167.461.10000116.9L7 P221 R223L7-S12 WeakPolarHBondContact O-CA 3.19Å; L7-S12 PolarHBondContact O-N 3.04Å; S12-P221 WeakPolarHBondContact O-CD 3.47Å; S12-R223 PolarHBondContact OG-NH2 2.92Å
13T70Confident78.8Confident83 Ų8342.5 Ų42.551%0.50922%0.221SC..THydrogen-bonded Turntrans-136.636176.155.90000111.3G11 V224G11-T13 PolarHBondContact O-N 2.82Å; T13-V224 HydrophobicContact CG2-CG2 4.4Å
14G78.8Confident79.6Confident19 Ų1942.1 Ų42.120%0.19622%0.219CC..SBendtrans-71.6178.2177.500000113.4G11 F16 Q17 V18 N301G11-G14 PolarHBondContact O-N 3.32Å; G11-G14 VanDerWaalsContact O-N 3.14Å; G14-F16 PolarHBondContact O-N 2.76Å; G14-Q17 VanDerWaalsContact N-OE1 3.1Å; G14-Q17 PolarHBondContact O-N 3.41Å; G14-Q17 PolarHBondContact O-OE1 3.01Å; G14-V18 PolarHBondContact O-N 3.04Å; G14-N301 WeakPolarHBondContact CA-OD1 3.3Å
15R83.7Confident80.5Confident211 Ų21141.8 Ų41.880%0.79622%0.215SC*.Hα-helixtrans-59.4-33.1-179.7-66.9-179.5178.1175.2-0.7112.2L19 N301R15-L19 VanDerWaalsContact O-CB 3.32Å; R15-L19 WeakPolarHBondContact O-CB 3.38Å; R15-L19 PolarHBondContact O-N 3.01Å; R15-N301 PolarHBondContact N-OD1 2.81Å
16F85.8Confident81.4Confident1 Ų141.1 Ų41.10%0.00421%0.214CC..Hα-helixtrans-60.7-51.5177.2179.9-98.7000111.4G14 V18 L19 H20 W219 W273 H275 V297 F300 N301G14-F16 PolarHBondContact O-N 2.76Å; F16-V18 PolarHBondContact O-N 3.34Å; F16-L19 PolarHBondContact O-N 3.27Å; F16-H20 HydrophobicContact CE1-CB 4.37Å; F16-H20 WeakPolarHBondContact O-CB 3.39Å; F16-H20 PolarHBondContact O-N 3.47Å; F16-W219 HydrophobicContact CE1-CD2 4.28Å; F16-W219 HydrophobicContact CE1-CE3 4.17Å; F16-W219 HydrophobicContact CE1-CZ3 4.42Å; F16-W273 AromaticContact CD2-CH2 3.82Å; F16-W273 HydrophobicContact CD2-CH2 3.82Å; F16-W273 HydrophobicContact CD2-CZ2 4.31Å; F16-W273 AromaticContact CE2-CH2 3.62Å; F16-W273 HydrophobicContact CE2-CH2 3.62Å; F16-W273 HydrophobicContact CE2-CZ2 4.14Å; F16-W273 HydrophobicContact CE2-CZ3 4.22Å; F16-H275 AromaticContact CE2-ND1 3.84Å; F16-H275 HydrophobicContact CZ-CB 4.31Å; F16-H275 AromaticContact CZ-ND1 3.92Å; F16-V297 HydrophobicContact CB-CG1 4.18Å; F16-V297 HydrophobicContact CD1-CB 4.32Å; F16-V297 HydrophobicContact CD1-CG1 3.51Å; F16-V297 HydrophobicContact CD1-CG2 3.86Å; F16-V297 HydrophobicContact CD2-CG2 4.43Å; F16-V297 HydrophobicContact CE1-CB 4.49Å; F16-V297 HydrophobicContact CE1-CG1 4.06Å; F16-V297 HydrophobicContact CE1-CG2 3.58Å; F16-V297 HydrophobicContact CE2-CG2 4.18Å; F16-V297 HydrophobicContact CG-CG1 3.9Å; F16-V297 HydrophobicContact CG-CG2 4.28Å; F16-V297 HydrophobicContact CZ-CG2 3.75Å; F16-F300 HydrophobicContact CB-CB 4.29Å; F16-F300 HydrophobicContact CB-CD1 3.61Å; F16-F300 HydrophobicContact CB-CE1 4.31Å; F16-F300 HydrophobicContact CB-CG 4.23Å; F16-F300 HydrophobicContact CD2-CB 4.4Å; F16-F300 HydrophobicContact CD2-CD1 4.07Å; F16-F300 HydrophobicContact CD2-CG 4.14Å; F16-F300 HydrophobicContact CG-CD1 4.35Å; F16-N301 VanDerWaalsContact CB-OD1 3.3Å; F16-N301 WeakPolarHBondContact CB-OD1 3.41Å; F16-N301 PolarHBondContact N-OD1 3.5Å; F16-N301 VanDerWaalsContact N-OD1 3.09Å
17Q85.2Confident82.1Confident8 Ų841.3 Ų41.34%0.03722%0.215CC..Hα-helixtrans-65-40.7-175.3-68.687-15.400111.6G11 G14 H20 V21 W219 N301G11-Q17 PolarHBondContact O-NE2 3.16Å; G11-Q17 PolarHBondContact O-OE1 3.22Å; G14-Q17 VanDerWaalsContact N-OE1 3.1Å; G14-Q17 PolarHBondContact O-N 3.41Å; G14-Q17 PolarHBondContact O-OE1 3.01Å; Q17-H20 PolarHBondContact O-N 3.49Å; Q17-V21 WeakPolarHBondContact O-CB 3.41Å; Q17-V21 VanDerWaalsContact O-CG2 3.22Å; Q17-V21 WeakPolarHBondContact O-CG2 3.34Å; Q17-V21 PolarHBondContact O-N 3.41Å; Q17-W219 WeakPolarHBondContact CG-O 3.39Å; Q17-N301 PolarHBondContact NE2-ND2 3.31Å; Q17-N301 PolarHBondContact OE1-ND2 2.8Å; Q17-N301 PolarHBondContact OE1-OD1 2.92Å
18V86.8Confident82.8Confident81 Ų8141.8 Ų41.849%0.49122%0.218SC..Hα-helixtrans-63-49.6176.8177.60000110.6G14 F16 H20 V21 I22G14-V18 PolarHBondContact O-N 3.04Å; F16-V18 PolarHBondContact O-N 3.34Å; V18-H20 VanDerWaalsContact C-N 3.34Å; V18-H20 PolarHBondContact O-N 3.09Å; V18-V21 PolarHBondContact O-N 3.36Å; V18-I22 HydrophobicContact CG1-CD1 3.8Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 3.37Å
19L89.6Confident83.4Confident69 Ų6940.7 Ų40.736%0.36121%0.212SC..Hα-helixtrans-62-42.7178-176.964.5000111.6R15 F16 V21 I22 L23 W273 F300R15-L19 VanDerWaalsContact O-CB 3.32Å; R15-L19 WeakPolarHBondContact O-CB 3.38Å; R15-L19 PolarHBondContact O-N 3.01Å; F16-L19 PolarHBondContact O-N 3.27Å; L19-V21 PolarHBondContact O-N 3.09Å; L19-I22 PolarHBondContact O-N 3.26Å; L19-L23 HydrophobicContact CD1-CD1 4.12Å; L19-L23 HydrophobicContact CD1-CG 4.23Å; L19-L23 HydrophobicContact CG-CD1 3.93Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 VanDerWaalsContact O-CG 3.27Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.27Å; L19-W273 HydrophobicContact CD2-CH2 3.84Å; L19-W273 HydrophobicContact CD2-CZ2 4.11Å; L19-W273 HydrophobicContact CG-CH2 4.31Å; L19-F300 HydrophobicContact CD2-CZ 4.29Å
20H87.6Confident84.3Confident1 Ų138.6 Ų38.61%0.00520%0.203CC..Hα-helixtrans-60.4-45.8179-169.277.7000111.7F16 Q17 V18 L24 W219 F274F16-H20 HydrophobicContact CE1-CB 4.37Å; F16-H20 WeakPolarHBondContact O-CB 3.39Å; F16-H20 PolarHBondContact O-N 3.47Å; Q17-H20 PolarHBondContact O-N 3.49Å; V18-H20 VanDerWaalsContact C-N 3.34Å; V18-H20 PolarHBondContact O-N 3.09Å; H20-L24 WeakPolarHBondContact NE2-CD1 3.43Å; H20-L24 WeakPolarHBondContact O-CB 3.45Å; H20-L24 WeakPolarHBondContact O-CG 3.47Å; H20-L24 PolarHBondContact O-N 3.32Å; H20-W219 AromaticContact NE2-CD1 3.57Å; H20-F274 AromaticContact CE1-CD1 3.39Å; H20-F274 WeakPolarHBondContact CE1-CD1 3.3Å; H20-F274 AromaticContact ND1-CD1 3.38Å; H20-F274 WeakPolarHBondContact ND1-CD1 3.46Å; H20-F274 AromaticContact ND1-CE1 3.88Å
21V88.2Confident85.1Confident23 Ų2339.2 Ų39.214%0.13921%0.206CC..Hα-helixtrans-64.5-46.7176.9170.30000111.6Q17 V18 L19 L23 L24 C25 I220 T228Q17-V21 WeakPolarHBondContact O-CB 3.41Å; Q17-V21 VanDerWaalsContact O-CG2 3.22Å; Q17-V21 WeakPolarHBondContact O-CG2 3.34Å; Q17-V21 PolarHBondContact O-N 3.41Å; V18-V21 PolarHBondContact O-N 3.36Å; L19-V21 PolarHBondContact O-N 3.09Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.14Å; V21-L24 PolarHBondContact O-N 3.13Å; V21-C25 WeakPolarHBondContact O-CB 3.35Å; V21-C25 PolarHBondContact O-N 2.78Å; V21-C25 PolarHBondContact O-SG 3.28Å; V21-C25 VanDerWaalsContact O-SG 3.33Å; V21-I220 HydrophobicContact CG2-CD1 3.34Å; V21-I220 HydrophobicContact CG2-CG1 4.17Å; V21-T228 HydrophobicContact CB-CG2 4.47Å; V21-T228 HydrophobicContact CG1-CG2 3.55Å; V21-T228 HydrophobicContact CG2-CG2 3.99Å
22I89.8Confident85.9Confident99 Ų9938.9 Ų38.951%0.50820%0.203SC..Hα-helixtrans-58.8-49.3179.8-70168.7000110V18 L19 L24 C25 T26V18-I22 HydrophobicContact CG1-CD1 3.8Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 3.37Å; L19-I22 PolarHBondContact O-N 3.26Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.04Å; I22-C25 PolarHBondContact O-N 3.29Å; I22-C25 VanDerWaalsContact O-N 3.15Å; I22-T26 PolarHBondContact O-N 3.25Å; I22-T26 VanDerWaalsContact O-N 3.16Å; I22-T26 PolarHBondContact O-OG1 3.48Å
23L90.8Very high87.1Confident40 Ų4038.5 Ų38.521%0.20920%0.2CC..Hα-helixtrans-63.6-33.9179.7-68.9174.5000112.8L19 V21 P27 I270 W273 F274L19-L23 HydrophobicContact CD1-CD1 4.12Å; L19-L23 HydrophobicContact CD1-CG 4.23Å; L19-L23 HydrophobicContact CG-CD1 3.93Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 VanDerWaalsContact O-CG 3.27Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.27Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.14Å; L23-P27 WeakPolarHBondContact O-CD 3.26Å; L23-I270 HydrophobicContact CB-CG2 4.3Å; L23-I270 HydrophobicContact CD1-CG2 4.33Å; L23-I270 HydrophobicContact CD2-CG2 3.99Å; L23-I270 HydrophobicContact CG-CG2 4.44Å; L23-W273 HydrophobicContact CD1-CE3 3.9Å; L23-W273 HydrophobicContact CD1-CZ3 3.93Å; L23-F274 HydrophobicContact CB-CE1 3.75Å; L23-F274 HydrophobicContact CB-CZ 3.73Å; L23-F274 HydrophobicContact CD1-CE1 4.46Å
24L89.3Confident88Confident0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-76-28.2175.1-78.3178.1000113.1H20 V21 I22 P27 L171 T212 L215 I216 F274H20-L24 WeakPolarHBondContact NE2-CD1 3.43Å; H20-L24 WeakPolarHBondContact O-CB 3.45Å; H20-L24 WeakPolarHBondContact O-CG 3.47Å; H20-L24 PolarHBondContact O-N 3.32Å; V21-L24 PolarHBondContact O-N 3.13Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.04Å; L24-P27 VanDerWaalsContact O-CD 3.31Å; L24-P27 WeakPolarHBondContact O-CD 3.32Å; L24-P27 VanDerWaalsContact O-CG 3.31Å; L24-P27 WeakPolarHBondContact O-CG 3.46Å; L24-L171 HydrophobicContact CD2-CD1 3.7Å; L24-T212 HydrophobicContact CB-CG2 3.83Å; L24-T212 HydrophobicContact CD2-CG2 4.11Å; L24-T212 HydrophobicContact CG-CG2 4.43Å; L24-T212 VanDerWaalsContact O-CG2 3.29Å; L24-T212 WeakPolarHBondContact O-CG2 3.46Å; L24-L215 HydrophobicContact CD1-CB 3.97Å; L24-I216 HydrophobicContact CB-CD1 4.13Å; L24-I216 HydrophobicContact CB-CG1 4.11Å; L24-I216 HydrophobicContact CD1-CG1 3.72Å; L24-F274 HydrophobicContact CD2-CD1 4.33Å; L24-F274 HydrophobicContact CD2-CD2 3.97Å; L24-F274 HydrophobicContact CD2-CE1 3.87Å; L24-F274 HydrophobicContact CD2-CE2 3.51Å; L24-F274 HydrophobicContact CD2-CG 4.39Å; L24-F274 HydrophobicContact CD2-CZ 3.44Å; L24-F274 VanDerWaalsContact CD2-CZ 3.44Å; L24-F274 HydrophobicContact CG-CD1 4.35Å; L24-F274 HydrophobicContact CG-CE1 3.7Å; L24-F274 HydrophobicContact CG-CE2 4.24Å; L24-F274 HydrophobicContact CG-CZ 3.65Å
25C88.7Confident88.6Confident14 Ų1433.9 Ų33.910%0.09517%0.167CC..Hα-helixtrans-74.2-27.6174.8-760000112.7V21 I22 V28 F29 T232V21-C25 WeakPolarHBondContact O-CB 3.35Å; V21-C25 PolarHBondContact O-N 2.78Å; V21-C25 PolarHBondContact O-SG 3.28Å; V21-C25 VanDerWaalsContact O-SG 3.33Å; I22-C25 PolarHBondContact O-N 3.29Å; I22-C25 VanDerWaalsContact O-N 3.15Å; C25-V28 WeakPolarHBondContact O-CB 3.14Å; C25-V28 PolarHBondContact O-N 3.37Å; C25-V28 VanDerWaalsContact O-N 3.16Å; C25-F29 PolarHBondContact O-N 3.49Å; C25-T232 PolarHBondContact SG-OG1 3.11Å
26T88.9Confident88.8Confident54 Ų5424 Ų2433%0.33113%0.13SC..Hα-helixtrans-56.3-49.1178.9-43.30000114.1I22 V28 F29 F267I22-T26 PolarHBondContact O-N 3.25Å; I22-T26 VanDerWaalsContact O-N 3.16Å; I22-T26 PolarHBondContact O-OG1 3.48Å; T26-V28 VanDerWaalsContact C-N 3.33Å; T26-V28 PolarHBondContact O-N 3.19Å; T26-F29 WeakPolarHBondContact O-CB 3.32Å; T26-F29 PolarHBondContact O-N 3.35Å; T26-F267 HydrophobicContact CG2-CD1 4.31Å; T26-F267 HydrophobicContact CG2-CE1 3.39Å; T26-F267 HydrophobicContact CG2-CZ 3.71Å
27P89.4Confident89Confident5 Ų523.9 Ų23.93%0.03213%0.13CC..Hα-helixtrans-66-34.5174.824-33.3000112.6L23 L24 F29 L30 M31 F264 F267L23-P27 WeakPolarHBondContact O-CD 3.26Å; L24-P27 VanDerWaalsContact O-CD 3.31Å; L24-P27 WeakPolarHBondContact O-CD 3.32Å; L24-P27 VanDerWaalsContact O-CG 3.31Å; L24-P27 WeakPolarHBondContact O-CG 3.46Å; P27-F29 VanDerWaalsContact C-N 3.25Å; P27-F29 PolarHBondContact O-N 2.95Å; P27-L30 PolarHBondContact O-N 3.33Å; P27-L30 VanDerWaalsContact O-N 3.11Å; P27-M31 WeakPolarHBondContact O-CG 3.46Å; P27-M31 PolarHBondContact O-N 2.85Å; P27-F264 HydrophobicContact CB-CE1 4.39Å; P27-F267 HydrophobicContact CB-CB 4.43Å; P27-F267 HydrophobicContact CB-CD2 3.69Å; P27-F267 HydrophobicContact CB-CE2 4.14Å; P27-F267 HydrophobicContact CB-CG 4.12Å
28V89.1Confident89.2Confident11 Ų1123.9 Ų23.97%0.06713%0.13CC..Hα-helixtrans-61.9-36.1177.7177.70000111.7C25 T26 L30 M31 T212 T232 Y236C25-V28 WeakPolarHBondContact O-CB 3.14Å; C25-V28 PolarHBondContact O-N 3.37Å; C25-V28 VanDerWaalsContact O-N 3.16Å; T26-V28 VanDerWaalsContact C-N 3.33Å; T26-V28 PolarHBondContact O-N 3.19Å; V28-L30 VanDerWaalsContact C-N 3.31Å; V28-L30 PolarHBondContact O-N 3.12Å; V28-M31 HydrophobicContact CB-SD 4.45Å; V28-M31 HydrophobicContact CG2-SD 4.15Å; V28-M31 WeakPolarHBondContact O-CB 3.34Å; V28-M31 PolarHBondContact O-N 3.1Å; V28-T212 HydrophobicContact CG2-CG2 3.78Å; V28-T232 HydrophobicContact CB-CG2 4.32Å; V28-T232 HydrophobicContact CG1-CG2 3.91Å; V28-T232 HydrophobicContact CG2-CG2 4.06Å; V28-Y236 HydrophobicContact CG1-CD2 4.32Å
29F90Very high89.2Confident59 Ų5920.9 Ų20.926%0.25911%0.111SC..Hα-helixtrans-58.4-41.2174.5178.6-101000111.9C25 T26 P27 C235 M238 G239 L242C25-F29 PolarHBondContact O-N 3.49Å; T26-F29 WeakPolarHBondContact O-CB 3.32Å; T26-F29 PolarHBondContact O-N 3.35Å; P27-F29 VanDerWaalsContact C-N 3.25Å; P27-F29 PolarHBondContact O-N 2.95Å; F29-C235 WeakPolarHBondContact CD2-O 3.47Å; F29-M238 HydrophobicContact CD2-CB 4.05Å; F29-M238 HydrophobicContact CE2-CB 3.67Å; F29-G239 WeakPolarHBondContact O-CA 3.19Å; F29-L242 HydrophobicContact CD1-CD2 4.44Å; F29-L242 HydrophobicContact CE1-CD2 3.27Å; F29-L242 HydrophobicContact CE1-CG 4.5Å; F29-L242 HydrophobicContact CZ-CB 4.05Å; F29-L242 HydrophobicContact CZ-CD2 3.44Å; F29-L242 VanDerWaalsContact CZ-CD2 3.44Å; F29-L242 HydrophobicContact CZ-CG 4.31Å
30L90.3Very high89.2Confident17 Ų1717.8 Ų17.89%0.08910%0.095CC..Hα-helixtrans-87.5-9.8177.2-71.2-179.4000114.7P27 V28 A32 S33 H34 P263 F264 F267P27-L30 PolarHBondContact O-N 3.33Å; P27-L30 VanDerWaalsContact O-N 3.11Å; V28-L30 VanDerWaalsContact C-N 3.31Å; V28-L30 PolarHBondContact O-N 3.12Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 3.46Å; L30-S33 VanDerWaalsContact O-CB 3.29Å; L30-S33 WeakPolarHBondContact O-CB 3.48Å; L30-S33 PolarHBondContact O-N 3.34Å; L30-H34 PolarHBondContact O-N 3.05Å; L30-P263 HydrophobicContact CD1-CB 3.35Å; L30-P263 HydrophobicContact CD1-CG 3.64Å; L30-F264 HydrophobicContact CB-CE2 4Å; L30-F264 HydrophobicContact CB-CZ 3.93Å; L30-F267 HydrophobicContact CB-CE2 4.3Å; L30-F267 HydrophobicContact CD1-CE2 3.75Å; L30-F267 HydrophobicContact CD1-CZ 3.78Å; L30-F267 HydrophobicContact CG-CE2 4.4Å
31M89.9Confident89.2Confident13 Ų1317.8 Ų17.86%0.06410%0.095CC..Hα-helixtrans-61.7-37.3175.2-79.3176.962.100112.7P27 V28 S33 H34 N35 L205 L208 Y236P27-M31 WeakPolarHBondContact O-CG 3.46Å; P27-M31 PolarHBondContact O-N 2.85Å; V28-M31 HydrophobicContact CB-SD 4.45Å; V28-M31 HydrophobicContact CG2-SD 4.15Å; V28-M31 WeakPolarHBondContact O-CB 3.34Å; V28-M31 PolarHBondContact O-N 3.1Å; M31-S33 PolarHBondContact O-N 3.14Å; M31-H34 PolarHBondContact O-N 3.4Å; M31-N35 PolarHBondContact O-N 3.1Å; M31-L205 HydrophobicContact CB-CD1 3.75Å; M31-L205 HydrophobicContact CE-CD1 3.75Å; M31-L205 HydrophobicContact CE-CG 3.92Å; M31-L205 WeakPolarHBondContact CE-O 3.11Å; M31-L205 HydrophobicContact CG-CD1 3.97Å; M31-L205 WeakPolarHBondContact O-CD1 3.33Å; M31-L208 HydrophobicContact CE-CB 4.31Å; M31-L208 HydrophobicContact SD-CB 3.85Å; M31-Y236 HydrophobicContact CB-CD2 4.33Å; M31-Y236 HydrophobicContact CB-CE2 4.09Å
32A86.8Confident89.1Confident0 Ų016.8 Ų16.80%09%0.089CC..Hα-helixtrans-61.4-37177.200000111.8L30 H34 N35 L36 Y236 Q240L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 3.46Å; A32-H34 PolarHBondContact O-N 2.83Å; A32-N35 PolarHBondContact O-N 3.25Å; A32-L36 PolarHBondContact O-N 3.04Å; A32-L36 VanDerWaalsContact O-N 3.11Å; A32-Y236 VanDerWaalsContact CA-CE2 3.5Å; A32-Y236 HydrophobicContact CB-CD1 4.1Å; A32-Y236 HydrophobicContact CB-CD2 3.92Å; A32-Y236 HydrophobicContact CB-CE1 3.87Å; A32-Y236 HydrophobicContact CB-CE2 3.69Å; A32-Y236 HydrophobicContact CB-CG 4.12Å; A32-Y236 VanDerWaalsContact CB-O 3.24Å; A32-Y236 WeakPolarHBondContact CB-O 3.41Å; A32-Q240 HydrophobicContact CB-CB 4.03Å
33S89.8Confident88.7Confident0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-59.1-46.5177.6-560000111.5L30 M31 L37 V260L30-S33 VanDerWaalsContact O-CB 3.29Å; L30-S33 WeakPolarHBondContact O-CB 3.48Å; L30-S33 PolarHBondContact O-N 3.34Å; M31-S33 PolarHBondContact O-N 3.14Å; S33-L37 WeakPolarHBondContact O-CA 3.36Å; S33-L37 VanDerWaalsContact O-CB 3.23Å; S33-L37 WeakPolarHBondContact O-CB 3.5Å; S33-L37 PolarHBondContact O-N 3.08Å; S33-V260 VanDerWaalsContact CB-CG1 3.48Å
34H90.5Very high88.4Confident2 Ų213.7 Ų13.71%0.0097%0.074CC..Hα-helixtrans-66.6-37.8176.2-88.3-71.9000113.8L30 M31 A32 L36 Y147 M178 S261 F264L30-H34 PolarHBondContact O-N 3.05Å; M31-H34 PolarHBondContact O-N 3.4Å; A32-H34 PolarHBondContact O-N 2.83Å; H34-L36 VanDerWaalsContact C-N 3.33Å; H34-L36 PolarHBondContact O-N 3.21Å; H34-Y147 PolarHBondContact O-OH 3.35Å; H34-M178 HydrophobicContact CB-CE 4.48Å; H34-M178 HydrophobicContact CB-SD 4.43Å; H34-S261 PolarHBondContact CE1-OG 2.63Å; H34-S261 VanDerWaalsContact CE1-OG 3.27Å; H34-F264 AromaticContact CD2-CE2 3.31Å; H34-F264 WeakPolarHBondContact CD2-CE2 3.48Å; H34-F264 AromaticContact CD2-CZ 3.85Å; H34-F264 AromaticContact NE2-CD2 3.71Å; H34-F264 AromaticContact NE2-CE2 3.43Å; H34-F264 WeakPolarHBondContact NE2-CE2 3.4Å
35N89.7Confident88.1Confident3 Ų314 Ų142%0.0168%0.076CC..Hα-helixtrans-66.9-36.3-177.3-166.119.3000112.3M31 A32 Y147 M148 L205 Y236 Y360M31-N35 PolarHBondContact O-N 3.1Å; A32-N35 PolarHBondContact O-N 3.25Å; N35-Y147 WeakPolarHBondContact CA-OH 3.37Å; N35-Y147 PolarHBondContact N-OH 3.32Å; N35-Y147 WeakPolarHBondContact OD1-CE1 3.18Å; N35-M148 VanDerWaalsContact OD1-CE 3.24Å; N35-M148 WeakPolarHBondContact OD1-CE 3.47Å; N35-L205 HydrophobicContact CB-CD2 4.18Å; N35-Y236 WeakPolarHBondContact CB-OH 3.48Å; N35-Y236 PolarHBondContact ND2-OH 3.31Å; N35-Y360 WeakPolarHBondContact ND2-CE1 3.35Å; N35-Y360 PolarHBondContact ND2-OH 2.79Å; N35-Y360 VanDerWaalsContact ND2-OH 3.07Å
36L88.8Confident87.8Confident3 Ų317.8 Ų17.82%0.01610%0.1CC..Hα-helixtrans-104.41.7-176.1-60.5167.8000112.9A32 H34 Q38 N39 Q240 L243A32-L36 PolarHBondContact O-N 3.04Å; A32-L36 VanDerWaalsContact O-N 3.11Å; H34-L36 VanDerWaalsContact C-N 3.33Å; H34-L36 PolarHBondContact O-N 3.21Å; L36-Q38 PolarHBondContact O-N 3.26Å; L36-N39 WeakPolarHBondContact O-CB 3.32Å; L36-N39 PolarHBondContact O-N 3.28Å; L36-N39 VanDerWaalsContact O-N 3.12Å; L36-Q240 HydrophobicContact CD1-CB 4.12Å; L36-Q240 HydrophobicContact CD1-CG 3.54Å; L36-L243 HydrophobicContact CB-CD2 3.7Å
37L90.4Very high87.6Confident0 Ų015.9 Ų15.90%09%0.087CC..THydrogen-bonded Turntrans-54.7-36.8-178.9-174.258.6000112.9S33 N39 F40 V41 L243 L256 T257 V260S33-L37 WeakPolarHBondContact O-CA 3.36Å; S33-L37 VanDerWaalsContact O-CB 3.23Å; S33-L37 WeakPolarHBondContact O-CB 3.5Å; S33-L37 PolarHBondContact O-N 3.08Å; L37-N39 PolarHBondContact O-N 3.4Å; L37-F40 PolarHBondContact O-N 3.18Å; L37-F40 VanDerWaalsContact O-N 3.15Å; L37-V41 HydrophobicContact CD1-CG2 3.6Å; L37-V41 HydrophobicContact CD2-CG2 4.44Å; L37-V41 HydrophobicContact CG-CG2 3.66Å; L37-V41 WeakPolarHBondContact O-CG2 3.44Å; L37-V41 PolarHBondContact O-N 3.01Å; L37-L243 HydrophobicContact CD1-CD1 4.28Å; L37-L256 HydrophobicContact CD1-CD2 4.14Å; L37-L256 HydrophobicContact CD1-CG 3.95Å; L37-T257 HydrophobicContact CD2-CG2 4.2Å; L37-V260 HydrophobicContact CD1-CG2 4.37Å
38Q88.1Confident87.4Confident7 Ų718 Ų183%0.03310%0.097CC..Hα-helixtrans-58.6-31-178.3-166.873.61.900112.9L36 F40 A42 Q144L36-Q38 PolarHBondContact O-N 3.26Å; Q38-F40 PolarHBondContact O-N 3.34Å; Q38-A42 HydrophobicContact CG-CB 4.1Å; Q38-A42 WeakPolarHBondContact O-CB 3.3Å; Q38-A42 PolarHBondContact O-N 3.18Å; Q38-Q144 HydrophobicContact CG-CB 4.34Å
39N88.3Confident87.1Confident18 Ų1817.5 Ų17.510%0.0969%0.094CC..Hα-helixtrans-61.5-30.5-179.4-69.7-11.4000112.5L36 L37 S363 L366L36-N39 WeakPolarHBondContact O-CB 3.32Å; L36-N39 PolarHBondContact O-N 3.28Å; L36-N39 VanDerWaalsContact O-N 3.12Å; L37-N39 PolarHBondContact O-N 3.4Å; N39-S363 PolarHBondContact ND2-O 2.94Å; N39-L366 HydrophobicContact CB-CD1 4.04Å; N39-L366 WeakPolarHBondContact ND2-CD1 3.48Å
40F88.6Confident86.7Confident5 Ų515.8 Ų15.82%0.0229%0.089CC..Hα-helixtrans-94.8-47.8179.3-61.8-77.3000111.4L37 Q38 A42 M43 L243 P244 A247 L256 I373 Y374 Q377L37-F40 PolarHBondContact O-N 3.18Å; L37-F40 VanDerWaalsContact O-N 3.15Å; Q38-F40 PolarHBondContact O-N 3.34Å; F40-A42 VanDerWaalsContact C-N 3.32Å; F40-A42 PolarHBondContact O-N 2.95Å; F40-M43 WeakPolarHBondContact O-CB 3.47Å; F40-M43 PolarHBondContact O-N 3.45Å; F40-L243 HydrophobicContact CD2-CD1 4.5Å; F40-L243 HydrophobicContact CD2-CD2 3.84Å; F40-L243 HydrophobicContact CD2-CG 3.99Å; F40-L243 HydrophobicContact CE2-CD2 3.6Å; F40-L243 HydrophobicContact CE2-CG 3.75Å; F40-P244 HydrophobicContact CE1-CB 4.31Å; F40-P244 HydrophobicContact CZ-CB 3.83Å; F40-A247 HydrophobicContact CB-CB 4.15Å; F40-A247 HydrophobicContact CD1-CB 3.7Å; F40-A247 HydrophobicContact CD2-CB 4.24Å; F40-A247 HydrophobicContact CE1-CB 4.2Å; F40-A247 HydrophobicContact CG-CB 3.74Å; F40-L256 HydrophobicContact CB-CD2 3.95Å; F40-I373 HydrophobicContact CD1-CD1 3.82Å; F40-I373 HydrophobicContact CE1-CD1 4.06Å; F40-I373 HydrophobicContact CE1-CG1 4.43Å; F40-Y374 AromaticContact CD1-CD1 3.85Å; F40-Y374 HydrophobicContact CD1-CD1 3.85Å; F40-Y374 AromaticContact CD1-CE1 3.58Å; F40-Y374 HydrophobicContact CD1-CE1 3.58Å; F40-Y374 AromaticContact CE1-CD1 3.37Å; F40-Y374 HydrophobicContact CE1-CD1 3.37Å; F40-Y374 AromaticContact CE1-CE1 3.63Å; F40-Y374 HydrophobicContact CE1-CE1 3.63Å; F40-Y374 HydrophobicContact CE1-CG 4.25Å; F40-Y374 HydrophobicContact CZ-CD1 4.35Å; F40-Q377 HydrophobicContact CE2-CG 4.13Å; F40-Q377 HydrophobicContact CZ-CB 3.93Å; F40-Q377 HydrophobicContact CZ-CG 3.86Å
41V88.1Confident86Confident1 Ų117 Ų171%0.00610%0.1CC..Hα-helixtrans-69-31.1-174.4174.60000112L37 I126 W253 L256L37-V41 HydrophobicContact CD1-CG2 3.6Å; L37-V41 HydrophobicContact CD2-CG2 4.44Å; L37-V41 HydrophobicContact CG-CG2 3.66Å; L37-V41 WeakPolarHBondContact O-CG2 3.44Å; L37-V41 PolarHBondContact O-N 3.01Å; V41-I126 HydrophobicContact CB-CD1 4.44Å; V41-I126 HydrophobicContact CG1-CB 4.42Å; V41-I126 HydrophobicContact CG1-CD1 3.15Å; V41-I126 HydrophobicContact CG1-CG1 3.59Å; V41-I126 WeakPolarHBondContact O-CB 3.13Å; V41-I126 PolarHBondContact O-N 3.11Å; V41-W253 HydrophobicContact CB-CB 4.29Å; V41-W253 HydrophobicContact CG1-CB 3.76Å; V41-W253 HydrophobicContact CG1-CD2 4.34Å; V41-W253 HydrophobicContact CG1-CE3 3.92Å; V41-W253 HydrophobicContact CG1-CG 4.34Å; V41-W253 HydrophobicContact CG2-CB 4.34Å; V41-L256 HydrophobicContact CG2-CD2 4Å
42A85.3Confident85.3Confident1 Ų117.8 Ų17.81%0.00810%0.103CC..THydrogen-bonded Turntrans-107.335.7175.200000112.1Q38 F40 V44 I127 K140Q38-A42 HydrophobicContact CG-CB 4.1Å; Q38-A42 WeakPolarHBondContact O-CB 3.3Å; Q38-A42 PolarHBondContact O-N 3.18Å; F40-A42 VanDerWaalsContact C-N 3.32Å; F40-A42 PolarHBondContact O-N 2.95Å; A42-V44 PolarHBondContact O-N 3.14Å; A42-I127 HydrophobicContact CB-CD1 4.27Å; A42-I127 HydrophobicContact CB-CG1 4.39Å; A42-I127 WeakPolarHBondContact O-CD1 3.47Å; A42-K140 HydrophobicContact CB-CD 4.46Å; A42-K140 HydrophobicContact CB-CG 4.08Å; A42-K140 WeakPolarHBondContact O-CE 3.43Å; A42-K140 PolarHBondContact O-NZ 2.92Å
43M82.9Confident84.2Confident38 Ų3821.7 Ų21.719%0.18713%0.13CC..  trans-63.3134.6168.1-166.3-177.6-17300109.2F40 P45 M122 T125 I373F40-M43 WeakPolarHBondContact O-CB 3.47Å; F40-M43 PolarHBondContact O-N 3.45Å; M43-P45 WeakPolarHBondContact O-CD 3.47Å; M43-M122 HydrophobicContact CB-CE 4.13Å; M43-M122 HydrophobicContact CB-SD 3.93Å; M43-M122 HydrophobicContact CG-CE 4.28Å; M43-M122 HydrophobicContact CG-SD 4.24Å; M43-M122 HydrophobicContact SD-CE 3.17Å; M43-M122 WeakPolarHBondContact SD-CE 3.44Å; M43-M122 HydrophobicContact SD-SD 3.41Å; M43-T125 HydrophobicContact CB-CG2 4.36Å; M43-T125 PolarHBondContact O-OG1 2.95Å; M43-I373 HydrophobicContact CE-CD1 3.86Å; M43-I373 HydrophobicContact CE-CG1 4.04Å; M43-I373 HydrophobicContact CE-CG2 4.05Å; M43-I373 HydrophobicContact CG-CD1 4.14Å; M43-I373 HydrophobicContact SD-CD1 3.4Å; M43-I373 WeakPolarHBondContact SD-CD1 3.24Å; M43-I373 HydrophobicContact SD-CG1 4.21Å
44V83.4Confident83.1Confident36 Ų3628.4 Ų28.422%0.21817%0.166CC..  trans-88.6106.4171.6-177.50000107.5A42 I127 K140 Q367A42-V44 PolarHBondContact O-N 3.14Å; V44-I127 HydrophobicContact CB-CD1 4.23Å; V44-I127 HydrophobicContact CG2-CD1 3.35Å; V44-K140 HydrophobicContact CG2-CD 4.29Å; V44-Q367 VanDerWaalsContact N-NE2 3.12Å; V44-Q367 PolarHBondContact O-NE2 2.91Å
45P83.6Confident81.7Confident8 Ų828.8 Ų28.85%0.05217%0.168CC..  trans-70.7155171.624.8-28.4000110.6M43 H47 Y117 M119M43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-H47 PolarHBondContact O-N 3.01Å; P45-H47 PolarHBondContact O-ND1 3.49Å; P45-Y117 HydrophobicContact CG-CD1 3.71Å; P45-Y117 HydrophobicContact CG-CE1 4.47Å; P45-Y117 HydrophobicContact CG-CG 4.29Å; P45-M119 HydrophobicContact CB-CE 4.2Å; P45-M119 HydrophobicContact CB-SD 3.98Å; P45-M119 HydrophobicContact CG-CE 3.57Å; P45-M119 HydrophobicContact CG-SD 4Å
46P82.3Confident80.1Confident92 Ų9233 Ų3360%0.59720%0.198SC*.  trans-55.3129.4169.4-20.332000109.7N118P46-N118 HydrophobicContact CB-CB 4.32Å; P46-N118 PolarHBondContact O-N 2.88Å
47H84.2Confident78.5Confident14 Ų1444 Ų447%0.06524%0.239CC..EExtended strand (participates in β ladder)trans-139.8155.9-174.156.6-84.6000110.8P45 S80 S116 Y117 V133P45-H47 PolarHBondContact O-N 3.01Å; P45-H47 PolarHBondContact O-ND1 3.49Å; H47-S80 PolarHBondContact CD2-O 3.11Å; H47-S80 VanDerWaalsContact CD2-O 3.24Å; H47-S80 VanDerWaalsContact NE2-CB 3.26Å; H47-S80 WeakPolarHBondContact NE2-CB 3.26Å; H47-S80 WeakPolarHBondContact O-CA 3.38Å; H47-S80 VanDerWaalsContact O-CB 3.26Å; H47-S80 WeakPolarHBondContact O-CB 3.44Å; H47-S80 PolarHBondContact O-OG 3.5Å; H47-S116 VanDerWaalsContact CA-O 3.3Å; H47-S116 WeakPolarHBondContact CA-O 3.29Å; H47-Y117 HydrophobicContact CB-CD1 3.5Å; H47-Y117 HydrophobicContact CB-CE1 3.64Å; H47-Y117 HydrophobicContact CB-CG 4.46Å; H47-V133 WeakPolarHBondContact CD2-CG1 3.07Å; H47-V133 WeakPolarHBondContact CE1-CG1 3.27Å; H47-V133 WeakPolarHBondContact NE2-CG1 3.41Å
48H84.8Confident77.2Confident49 Ų4946.8 Ų46.823%0.22726%0.256CS..EExtended strand (participates in β ladder)trans-142.6164.9172.553.3-82.4000109.3L66 V70 W115 S116H48-L66 HydrophobicContact CB-CD1 4.13Å; H48-L66 WeakPolarHBondContact CD2-CD1 3.45Å; H48-V70 HydrophobicContact CB-CG2 4.36Å; H48-W115 WeakPolarHBondContact O-CA 3.34Å; H48-S116 PolarHBondContact CD2-OG 3.23Å; H48-S116 PolarHBondContact CE1-OG 3.08Å; H48-S116 PolarHBondContact N-O 3.44Å; H48-S116 PolarHBondContact NE2-OG 3.43Å; H48-S116 PolarHBondContact O-N 3.17Å; H48-S116 PolarHBondContact O-OG 2.9Å
49C83.9Confident76.2Confident1 Ų156.4 Ų56.41%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-64.5143.3174.3-590000110.1Q82 R83 C111C49-Q82 VanDerWaalsContact SG-C 3.59Å; C49-R83 HydrophobicContact CB-CB 3.83Å; C49-R83 HydrophobicContact CB-CG 4.19Å; C49-C111 WeakPolarHBondContact CA-SG 3.42Å; C49-C111 HydrophobicContact CB-CB 3.63Å; C49-C111 WeakPolarHBondContact CB-SG 3.27Å; C49-C111 VanDerWaalsContact SG-CA 3.54Å; C49-C111 WeakPolarHBondContact SG-CB 3.22Å; C49-C111 CovalentContact SG-SG 2.02Å; C49-C111 PolarHBondContact SG-SG 3.03Å
50S81.1Confident75.3Confident23 Ų2357.8 Ų57.816%0.16131%0.308CS..PPolyproline II helixtrans-64.4149.1172.562.80000111.1R83 D113 G114S50-R83 PolarHBondContact O-NH1 3.02Å; S50-D113 WeakPolarHBondContact OG-CB 3.38Å; S50-D113 PolarHBondContact OG-O 3.4Å; S50-G114 PolarHBondContact N-O 3.27Å; S50-G114 PolarHBondContact OG-N 3.18Å; S50-G114 PolarHBondContact OG-O 3.43Å
51S76.4Confident74.7Confident44 Ų4459.8 Ų59.831%0.30832%0.323SS..PPolyproline II helixtrans-62.8148.5173.561.60000110.8S53S51-S53 PolarHBondContact O-N 3.44Å
52H74.4Confident74.1Confident29 Ų2964.5 Ų64.513%0.13435%0.354CS..PPolyproline II helixtrans-50.8135.6172-6592.6000111.5N54 M55 Y84 V85 E109H52-N54 PolarHBondContact O-N 3.43Å; H52-M55 HydrophobicContact CB-SD 4.41Å; H52-M55 PolarHBondContact O-N 3.16Å; H52-Y84 PolarHBondContact CE1-O 2.9Å; H52-Y84 VanDerWaalsContact CE1-O 3.26Å; H52-V85 PolarHBondContact NE2-O 3.48Å; H52-E109 IonicContact NE2-OE1 3.94Å
53S63.8Low73.6Confident82 Ų8270.3 Ų70.357%0.57339%0.385SS*.THydrogen-bonded Turntrans-55.4-23.418053.40000114.1S51 S56S51-S53 PolarHBondContact O-N 3.44Å; S53-S56 PolarHBondContact O-OG 3.18Å
54N65.9Low73.3Confident141 Ų14172.1 Ų72.175%0.75439%0.392SS*.THydrogen-bonded Turntrans-79.4-17.7177-69.2-22.4000114.1H52H52-N54 PolarHBondContact O-N 3.43Å
55M61.6Low72.9Confident9 Ų971.6 Ų71.64%0.04439%0.388CS..THydrogen-bonded Turntrans-91.7-14.2-176.9-80.9172.275.500114.5H52 R57 T58 I65 I68 T69 P87 W89H52-M55 HydrophobicContact CB-SD 4.41Å; H52-M55 PolarHBondContact O-N 3.16Å; M55-R57 PolarHBondContact O-N 3.36Å; M55-T58 PolarHBondContact O-N 2.72Å; M55-T58 VanDerWaalsContact O-N 3.13Å; M55-T58 PolarHBondContact O-OG1 3.3Å; M55-I65 HydrophobicContact CE-CG2 4.19Å; M55-I68 HydrophobicContact CE-CD1 3.14Å; M55-I68 HydrophobicContact CE-CG1 3.64Å; M55-T69 HydrophobicContact CE-CG2 3.85Å; M55-T69 HydrophobicContact SD-CG2 3.84Å; M55-P87 HydrophobicContact CE-CB 4.06Å; M55-P87 HydrophobicContact SD-CB 3.62Å; M55-P87 HydrophobicContact SD-CG 3.83Å; M55-W89 HydrophobicContact CE-CH2 4.02Å; M55-W89 HydrophobicContact CE-CZ2 4.38Å
56S57.3Low72.7Confident92 Ų9273.1 Ų73.164%0.64340%0.396SS*.THydrogen-bonded Turntrans-65.6-3.2175.342.90000113.7S53S53-S56 PolarHBondContact O-OG 3.18Å
57R54Low72.6Confident234 Ų23473.2 Ų73.288%0.88339%0.388SS*.THydrogen-bonded Turntrans-95.1-8.3174.7-73.4-176.4172.6175.1-1115.1M55M55-R57 PolarHBondContact O-N 3.36Å
58T63.1Low72.3Confident58 Ų5872.6 Ų72.636%0.35639%0.385SS..SBendtrans-89139.5178.246.40000111.3M55 L60M55-T58 PolarHBondContact O-N 2.72Å; M55-T58 VanDerWaalsContact O-N 3.13Å; M55-T58 PolarHBondContact O-OG1 3.3Å; T58-L60 PolarHBondContact O-N 3.13Å
59Q66.5Low71.9Confident210 Ų21070.4 Ų70.498%0.98138%0.375SS*.  trans-7236.1177.3-67.4-170.8-20.700113.6
60L70.5Confident71.8Confident46 Ų4670.5 Ų70.524%0.24138%0.376CS..  trans-87.7148.4179.1-77.2151.3000110.4T58 E64 I65 W89 L92T58-L60 PolarHBondContact O-N 3.13Å; L60-E64 HydrophobicContact CD2-CB 4.01Å; L60-I65 HydrophobicContact CB-CD1 4.14Å; L60-I65 HydrophobicContact CB-CG1 3.76Å; L60-W89 HydrophobicContact CD1-CH2 3.95Å; L60-W89 HydrophobicContact CD1-CZ3 3.57Å; L60-L92 HydrophobicContact CD2-CD1 4.01Å
61S75.8Confident71.8Confident48 Ų4869.9 Ų69.934%0.33637%0.371SS..  trans-67.5151.9171.768.10000110.6D63 E64 I65S61-D63 PolarHBondContact O-N 3.06Å; S61-E64 WeakPolarHBondContact CB-OE2 3.37Å; S61-E64 PolarHBondContact N-OE2 3.33Å; S61-E64 PolarHBondContact O-N 3.38Å; S61-E64 WeakPolarHBondContact OG-CB 3.45Å; S61-E64 WeakPolarHBondContact OG-CG 3.38Å; S61-E64 PolarHBondContact OG-N 3.42Å; S61-E64 PolarHBondContact OG-OE2 2.89Å; S61-I65 WeakPolarHBondContact O-CG1 3.32Å; S61-I65 PolarHBondContact O-N 3.33Å
62P74.9Confident71.9Confident100 Ų10073.2 Ų73.265%0.64939%0.385SS*.Hα-helixtrans-59.4-30.1-179.520.7-31.4000113.2L66P62-L66 WeakPolarHBondContact O-CB 3.31Å; P62-L66 PolarHBondContact O-N 3.29Å
63D75.2Confident71.9Confident123 Ų12375 Ų7566%0.65840%0.396SS*.Hα-helixtrans-72.5-39.6178-64.8-31.1000112S61 I65 L66 Q67S61-D63 PolarHBondContact O-N 3.06Å; D63-I65 VanDerWaalsContact C-N 3.34Å; D63-L66 WeakPolarHBondContact O-CB 3.42Å; D63-L66 PolarHBondContact O-N 3.35Å; D63-Q67 PolarHBondContact O-N 3Å
64E75.9Confident71.9Confident75 Ų7581.2 Ų81.235%0.3542%0.416SS..Hα-helixtrans-64.9-40174.1-71.4165.6145.100111.4L60 S61 L66 Q67 I68 L92L60-E64 HydrophobicContact CD2-CB 4.01Å; S61-E64 WeakPolarHBondContact CB-OE2 3.37Å; S61-E64 PolarHBondContact N-OE2 3.33Å; S61-E64 PolarHBondContact O-N 3.38Å; S61-E64 WeakPolarHBondContact OG-CB 3.45Å; S61-E64 WeakPolarHBondContact OG-CG 3.38Å; S61-E64 PolarHBondContact OG-N 3.42Å; S61-E64 PolarHBondContact OG-OE2 2.89Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-Q67 PolarHBondContact O-N 3.45Å; E64-I68 WeakPolarHBondContact O-CG1 3.26Å; E64-I68 PolarHBondContact O-N 3.45Å; E64-L92 HydrophobicContact CB-CD2 3.73Å; E64-L92 HydrophobicContact CG-CD2 3.78Å
65I76.6Confident71.8Confident26 Ų2678.5 Ų78.513%0.13341%0.413CS..Hα-helixtrans-63.1-42.8175.1-66.2169.7000110.3M55 L60 S61 D63 Q67 I68 T69M55-I65 HydrophobicContact CE-CG2 4.19Å; L60-I65 HydrophobicContact CB-CD1 4.14Å; L60-I65 HydrophobicContact CB-CG1 3.76Å; S61-I65 WeakPolarHBondContact O-CG1 3.32Å; S61-I65 PolarHBondContact O-N 3.33Å; D63-I65 VanDerWaalsContact C-N 3.34Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 2.8Å; I65-I68 VanDerWaalsContact O-CG1 3.3Å; I65-I68 WeakPolarHBondContact O-CG1 3.23Å; I65-I68 PolarHBondContact O-N 3.25Å; I65-T69 HydrophobicContact CG2-CG2 4.26Å; I65-T69 WeakPolarHBondContact O-CB 3.12Å; I65-T69 VanDerWaalsContact O-CG2 3.28Å; I65-T69 WeakPolarHBondContact O-CG2 3.41Å; I65-T69 PolarHBondContact O-N 2.94Å; I65-T69 VanDerWaalsContact O-N 3.14Å; I65-T69 PolarHBondContact O-OG1 3.07Å
66L78.8Confident71.9Confident39 Ų3980.7 Ų80.720%0.20444%0.437CS..Hα-helixtrans-62.2-43.4178.1-174.465.7000111.3H48 P62 D63 E64 I68 T69 V70 P78H48-L66 HydrophobicContact CB-CD1 4.13Å; H48-L66 WeakPolarHBondContact CD2-CD1 3.45Å; P62-L66 WeakPolarHBondContact O-CB 3.31Å; P62-L66 PolarHBondContact O-N 3.29Å; D63-L66 WeakPolarHBondContact O-CB 3.42Å; D63-L66 PolarHBondContact O-N 3.35Å; E64-L66 VanDerWaalsContact C-N 3.34Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 3.31Å; L66-T69 PolarHBondContact O-N 3.24Å; L66-T69 PolarHBondContact O-OG1 3.21Å; L66-V70 HydrophobicContact CD1-CB 4.04Å; L66-V70 HydrophobicContact CD1-CG2 3.84Å; L66-V70 PolarHBondContact O-N 3.17Å; L66-P78 HydrophobicContact CD1-CB 4.46Å; L66-P78 HydrophobicContact CD2-CB 4.41Å; L66-P78 HydrophobicContact CD2-CG 4.27Å
67Q79.4Confident72.6Confident95 Ų9583.3 Ų83.344%0.44444%0.437SS..Hα-helixtrans-62.6-35.9-178.1-169.9178-6.500113.1D63 E64 I65 L91D63-Q67 PolarHBondContact O-N 3Å; E64-Q67 PolarHBondContact O-N 3.45Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 2.8Å; Q67-L91 PolarHBondContact NE2-O 2.7Å; Q67-L91 VanDerWaalsContact O-CD1 3.27Å; Q67-L91 WeakPolarHBondContact O-CD1 3.49Å
68I78.1Confident73.7Confident0 Ų074.3 Ų74.30%041%0.409CS..Hα-helixtrans-88.6-16.7-179.762.7-174.1000113.9M55 E64 I65 L66 P87 Q88 W89 L91 L92M55-I68 HydrophobicContact CE-CD1 3.14Å; M55-I68 HydrophobicContact CE-CG1 3.64Å; E64-I68 WeakPolarHBondContact O-CG1 3.26Å; E64-I68 PolarHBondContact O-N 3.45Å; I65-I68 VanDerWaalsContact O-CG1 3.3Å; I65-I68 WeakPolarHBondContact O-CG1 3.23Å; I65-I68 PolarHBondContact O-N 3.25Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 3.31Å; I68-P87 HydrophobicContact CG1-CB 4.45Å; I68-P87 WeakPolarHBondContact O-CA 3.45Å; I68-Q88 WeakPolarHBondContact CG2-O 3.41Å; I68-Q88 PolarHBondContact O-N 3.15Å; I68-W89 HydrophobicContact CD1-CE3 3.85Å; I68-W89 HydrophobicContact CD1-CH2 3.93Å; I68-W89 HydrophobicContact CD1-CZ3 3.5Å; I68-L91 HydrophobicContact CG2-CB 4.41Å; I68-L92 HydrophobicContact CD1-CD1 4.13Å; I68-L92 HydrophobicContact CG2-CD1 3.65Å; I68-L92 HydrophobicContact CG2-CD2 4.19Å; I68-L92 HydrophobicContact CG2-CG 3.51Å
69T76.9Confident74.5Confident4 Ų473.5 Ų73.53%0.02540%0.401CS..Hα-helixtrans-102.3-31.8-176.553.70000113.2M55 I65 L66 R83 Y84M55-T69 HydrophobicContact CE-CG2 3.85Å; M55-T69 HydrophobicContact SD-CG2 3.84Å; I65-T69 HydrophobicContact CG2-CG2 4.26Å; I65-T69 WeakPolarHBondContact O-CB 3.12Å; I65-T69 VanDerWaalsContact O-CG2 3.28Å; I65-T69 WeakPolarHBondContact O-CG2 3.41Å; I65-T69 PolarHBondContact O-N 2.94Å; I65-T69 VanDerWaalsContact O-N 3.14Å; I65-T69 PolarHBondContact O-OG1 3.07Å; L66-T69 PolarHBondContact O-N 3.24Å; L66-T69 PolarHBondContact O-OG1 3.21Å; T69-R83 WeakPolarHBondContact O-CA 3.27Å; T69-R83 WeakPolarHBondContact O-CB 3.41Å; T69-Y84 PolarHBondContact O-N 3.39Å
70V80.9Confident75.1Confident3 Ų365.4 Ų65.42%0.01837%0.368CS..SBendtrans-120.9123.5-172.8-179.60000110.1H48 L66 P78 Q79H48-V70 HydrophobicContact CB-CG2 4.36Å; L66-V70 HydrophobicContact CD1-CB 4.04Å; L66-V70 HydrophobicContact CD1-CG2 3.84Å; L66-V70 PolarHBondContact O-N 3.17Å; V70-P78 HydrophobicContact CG1-CB 3.79Å; V70-Q79 HydrophobicContact CG1-CB 4.41Å; V70-Q79 WeakPolarHBondContact CG1-O 2.98Å
71P81.3Confident75.7Confident10 Ų1065.1 Ų65.17%0.06537%0.369CS..PPolyproline II helixtrans-63.9154.8174.828.2-36.9000111.6Q79 Y84 L108P71-Q79 HydrophobicContact CG-CB 3.89Å; P71-Q79 WeakPolarHBondContact O-CB 3.26Å; P71-Q79 PolarHBondContact O-N 3Å; P71-Y84 HydrophobicContact CB-CE1 4.07Å; P71-Y84 HydrophobicContact CB-CE2 3.98Å; P71-Y84 WeakPolarHBondContact CB-OH 3.42Å; P71-L108 HydrophobicContact CB-CD2 4.39Å; P71-L108 HydrophobicContact CG-CD2 3.77Å
72L79.3Confident76.1Confident114 Ų11466.5 Ų66.560%0.59737%0.37SS*.BIsolated β-bridgetrans-90133.4172.8-63.9167.9000110K77L72-K77 CarbonylContact C-O 3.58Å; L72-K77 WeakPolarHBondContact CA-O 3.39Å
73N73.8Confident76.6Confident67 Ų6762 Ų6236%0.35834%0.341SS..PPolyproline II helixtrans-65.8167168.8-76.3-19.4000111.2A75 G76 K77 Q79N73-A75 PolarHBondContact O-N 3.37Å; N73-G76 PolarHBondContact O-N 3.1Å; N73-K77 WeakPolarHBondContact CB-O 3.21Å; N73-K77 PolarHBondContact N-O 3.08Å; N73-Q79 WeakPolarHBondContact OD1-CB 3.29Å; N73-Q79 WeakPolarHBondContact OD1-CG 3.48Å
74E64.8Low76.9Confident212 Ų21256.9 Ų56.999%0.99131%0.312SS*.THydrogen-bonded Turntrans-52.8-22.6175.9-61.8-176.3164.700114.3
75A62.2Low77.2Confident84 Ų8456.4 Ų56.469%0.69431%0.314SS*.THydrogen-bonded Turntrans-89.99.9176.100000114.4N73 K77N73-A75 PolarHBondContact O-N 3.37Å; A75-K77 VanDerWaalsContact C-N 3.29Å; A75-K77 PolarHBondContact O-N 3.33Å
76G64.9Low77.2Confident54 Ų5457.7 Ų57.756%0.55733%0.328SS*.SBendtrans69.820.2-178.800000114.6N73N73-G76 PolarHBondContact O-N 3.1Å
77K72.4Confident77.2Confident147 Ų14757.4 Ų57.464%0.63933%0.329SS*.SBendtrans-109.9145.9178.6-69.5-175.3179.7-178.80110.8L72 N73 A75 Q79L72-K77 CarbonylContact C-O 3.58Å; L72-K77 WeakPolarHBondContact CA-O 3.39Å; N73-K77 WeakPolarHBondContact CB-O 3.21Å; N73-K77 PolarHBondContact N-O 3.08Å; A75-K77 VanDerWaalsContact C-N 3.29Å; A75-K77 PolarHBondContact O-N 3.33Å; K77-Q79 PolarHBondContact O-N 3.3Å
78P77.1Confident77.3Confident45 Ų4554.6 Ų54.629%0.29232%0.316SS..BIsolated β-bridgetrans-57134177.923-33.2000111.3L66 V70L66-P78 HydrophobicContact CD1-CB 4.46Å; L66-P78 HydrophobicContact CD2-CB 4.41Å; L66-P78 HydrophobicContact CD2-CG 4.27Å; V70-P78 HydrophobicContact CG1-CB 3.79Å
79Q79.3Confident77.1Confident42 Ų4260.6 Ų60.620%0.19634%0.338CS..  trans-67.6131.9178.2-167.2171.81500110V70 P71 N73 K77 Q82V70-Q79 HydrophobicContact CG1-CB 4.41Å; V70-Q79 WeakPolarHBondContact CG1-O 2.98Å; P71-Q79 HydrophobicContact CG-CB 3.89Å; P71-Q79 WeakPolarHBondContact O-CB 3.26Å; P71-Q79 PolarHBondContact O-N 3Å; N73-Q79 WeakPolarHBondContact OD1-CB 3.29Å; N73-Q79 WeakPolarHBondContact OD1-CG 3.48Å; K77-Q79 PolarHBondContact O-N 3.3Å; Q79-Q82 HydrophobicContact CG-CB 4.33Å
80S79.1Confident76.9Confident40 Ų4064.9 Ų64.928%0.2836%0.358SS..SBendtrans-84.8-20.8-165.8-42.80000114.6H47H47-S80 PolarHBondContact CD2-O 3.11Å; H47-S80 VanDerWaalsContact CD2-O 3.24Å; H47-S80 VanDerWaalsContact NE2-CB 3.26Å; H47-S80 WeakPolarHBondContact NE2-CB 3.26Å; H47-S80 WeakPolarHBondContact O-CA 3.38Å; H47-S80 VanDerWaalsContact O-CB 3.26Å; H47-S80 WeakPolarHBondContact O-CB 3.44Å; H47-S80 PolarHBondContact O-OG 3.5Å
81C83.8Confident76.6Confident39 Ų3966.8 Ų66.826%0.26437%0.368SS..SBendtrans-123.6-2.7-169.9-70.80000115.1C134C81-C134 WeakPolarHBondContact CA-SG 3.45Å; C81-C134 HydrophobicContact CB-CB 3.83Å; C81-C134 WeakPolarHBondContact CB-SG 3.44Å; C81-C134 VanDerWaalsContact SG-CA 3.52Å; C81-C134 WeakPolarHBondContact SG-CB 3.46Å; C81-C134 CovalentContact SG-SG 2.03Å; C81-C134 PolarHBondContact SG-SG 2.89Å
82Q84.4Confident76.2Confident77 Ų7769.2 Ų69.236%0.3638%0.38SS..EExtended strand (participates in β ladder)trans-132.5147.6-178.9-66.7-176.7-28.300109.4C49 Q79 E109C49-Q82 VanDerWaalsContact SG-C 3.59Å; Q79-Q82 HydrophobicContact CG-CB 4.33Å; Q82-E109 WeakPolarHBondContact CA-O 3.45Å
83R84.1Confident75.5Confident7 Ų767.5 Ų67.53%0.02638%0.382CS..EExtended strand (participates in β ladder)trans-133.6161.6173.467.9175.1-170179.55.9110.5C49 S50 T69 L108 E109 D113C49-R83 HydrophobicContact CB-CB 3.83Å; C49-R83 HydrophobicContact CB-CG 4.19Å; S50-R83 PolarHBondContact O-NH1 3.02Å; T69-R83 WeakPolarHBondContact O-CA 3.27Å; T69-R83 WeakPolarHBondContact O-CB 3.41Å; R83-L108 WeakPolarHBondContact O-CA 3.48Å; R83-E109 HydrophobicContact CG-CG 3.83Å; R83-E109 IonicContact CZ-OE1 3.19Å; R83-E109 PolarHBondContact N-O 3.34Å; R83-E109 IonicContact NE-OE1 2.94Å; R83-E109 PolarHBondContact NE-OE1 3.09Å; R83-E109 IonicContact NH2-OE1 2.78Å; R83-E109 PolarHBondContact NH2-OE1 2.98Å; R83-E109 PolarHBondContact O-N 3.48Å; R83-D113 IonicContact CZ-OD2 3.62Å; R83-D113 VanDerWaalsContact CZ-OD2 3.23Å; R83-D113 IonicContact NH1-OD2 2.75Å; R83-D113 PolarHBondContact NH1-OD2 3.48Å; R83-D113 IonicContact NH2-OD2 2.84Å; R83-D113 PolarHBondContact NH2-OD2 3.41Å
84Y81.9Confident74.7Confident14 Ų1470.2 Ų70.26%0.05539%0.393CS..EExtended strand (participates in β ladder)trans-69.6135170.2-63.8-62.3000110.4H52 T69 P71 A86 Q88 L91 A106 L108H52-Y84 PolarHBondContact CE1-O 2.9Å; H52-Y84 VanDerWaalsContact CE1-O 3.26Å; T69-Y84 PolarHBondContact O-N 3.39Å; P71-Y84 HydrophobicContact CB-CE1 4.07Å; P71-Y84 HydrophobicContact CB-CE2 3.98Å; P71-Y84 WeakPolarHBondContact CB-OH 3.42Å; Y84-A86 VanDerWaalsContact C-N 3.25Å; Y84-A86 WeakPolarHBondContact CB-O 3.22Å; Y84-A86 PolarHBondContact O-N 3Å; Y84-Q88 HydrophobicContact CD1-CG 4.06Å; Y84-Q88 HydrophobicContact CD2-CB 4.48Å; Y84-Q88 HydrophobicContact CD2-CG 3.83Å; Y84-Q88 HydrophobicContact CE1-CG 4.3Å; Y84-Q88 HydrophobicContact CE2-CG 4.1Å; Y84-Q88 HydrophobicContact CG-CG 3.8Å; Y84-L91 HydrophobicContact CE2-CD1 4.33Å; Y84-A106 HydrophobicContact CD1-CB 3.65Å; Y84-A106 HydrophobicContact CE1-CB 3.47Å; Y84-A106 VanDerWaalsContact CE1-CB 3.47Å; Y84-L108 HydrophobicContact CD1-CD2 3.59Å; Y84-L108 HydrophobicContact CE1-CD2 3.85Å; Y84-L108 HydrophobicContact CG-CD2 4.39Å
85V81.3Confident74Confident66 Ų6668.6 Ų68.640%0.439%0.391SS..SBendtrans-61.7-35.9175.4173.40000111.6H52 V107 E109H52-V85 PolarHBondContact NE2-O 3.48Å; V85-V107 HydrophobicContact CB-CB 4.39Å; V85-V107 HydrophobicContact CG2-CB 4Å; V85-V107 HydrophobicContact CG2-CG1 3.77Å; V85-V107 VanDerWaalsContact CG2-O 3.31Å; V85-V107 WeakPolarHBondContact CG2-O 3.23Å; V85-V107 PolarHBondContact N-O 2.65Å; V85-E109 HydrophobicContact CB-CG 4.46Å; V85-E109 HydrophobicContact CG2-CB 3.73Å; V85-E109 HydrophobicContact CG2-CG 3.66Å
86A78.3Confident73Confident52 Ų5267 Ų6743%0.4338%0.383SS..SBendtrans-123.7137.3174.100000109.6Y84 Q88Y84-A86 VanDerWaalsContact C-N 3.25Å; Y84-A86 WeakPolarHBondContact CB-O 3.22Å; Y84-A86 PolarHBondContact O-N 3Å; A86-Q88 PolarHBondContact O-N 3.17Å; A86-Q88 PolarHBondContact O-NE2 3.46Å
87P78.3Confident72Confident33 Ų3370.1 Ų70.121%0.21440%0.396CS..  trans-61.2129.6179.523.7-32.3000111.1M55 I68 W89M55-P87 HydrophobicContact CE-CB 4.06Å; M55-P87 HydrophobicContact SD-CB 3.62Å; M55-P87 HydrophobicContact SD-CG 3.83Å; I68-P87 HydrophobicContact CG1-CB 4.45Å; I68-P87 WeakPolarHBondContact O-CA 3.45Å; P87-W89 HydrophobicContact CB-CZ2 4.3Å; P87-W89 HydrophobicContact CG-CZ2 4.08Å; P87-W89 PolarHBondContact O-N 3.02Å; P87-W89 VanDerWaalsContact O-N 3.11Å
88Q80.9Confident70.5Confident37 Ų3767.9 Ų67.917%0.17340%0.399CS..  trans-8875.9-175.6-64.1-53.8-3800110.7I68 Y84 A86 H90 L91I68-Q88 WeakPolarHBondContact CG2-O 3.41Å; I68-Q88 PolarHBondContact O-N 3.15Å; Y84-Q88 HydrophobicContact CD1-CG 4.06Å; Y84-Q88 HydrophobicContact CD2-CB 4.48Å; Y84-Q88 HydrophobicContact CD2-CG 3.83Å; Y84-Q88 HydrophobicContact CE1-CG 4.3Å; Y84-Q88 HydrophobicContact CE2-CG 4.1Å; Y84-Q88 HydrophobicContact CG-CG 3.8Å; A86-Q88 PolarHBondContact O-N 3.17Å; A86-Q88 PolarHBondContact O-NE2 3.46Å; Q88-H90 PolarHBondContact O-N 3.28Å; Q88-H90 VanDerWaalsContact O-N 3.09Å; Q88-H90 PolarHBondContact OE1-CE1 2.84Å; Q88-H90 PolarHBondContact OE1-ND1 2.96Å; Q88-L91 HydrophobicContact CB-CD1 3.72Å; Q88-L91 HydrophobicContact CB-CG 4.03Å; Q88-L91 WeakPolarHBondContact O-CB 3.45Å; Q88-L91 PolarHBondContact O-N 3.45Å; Q88-L91 VanDerWaalsContact O-N 3.07Å
89W75.1Confident68.9Low125 Ų12569.8 Ų69.847%0.47342%0.419SS..G310 helixtrans-55.8-27.6-178.3-62.6107.2000114.4M55 L60 I68 P87 L91 L92M55-W89 HydrophobicContact CE-CH2 4.02Å; M55-W89 HydrophobicContact CE-CZ2 4.38Å; L60-W89 HydrophobicContact CD1-CH2 3.95Å; L60-W89 HydrophobicContact CD1-CZ3 3.57Å; I68-W89 HydrophobicContact CD1-CE3 3.85Å; I68-W89 HydrophobicContact CD1-CH2 3.93Å; I68-W89 HydrophobicContact CD1-CZ3 3.5Å; P87-W89 HydrophobicContact CB-CZ2 4.3Å; P87-W89 HydrophobicContact CG-CZ2 4.08Å; P87-W89 PolarHBondContact O-N 3.02Å; P87-W89 VanDerWaalsContact O-N 3.11Å; W89-L91 PolarHBondContact O-N 3.39Å; W89-L92 HydrophobicContact CE3-CD1 4.18Å; W89-L92 HydrophobicContact CZ3-CD1 4.38Å; W89-L92 PolarHBondContact O-N 2.85Å; W89-L92 VanDerWaalsContact O-N 3.16Å
90H72.7Confident67.2Low95 Ų9573.9 Ų73.944%0.4445%0.447SS..G310 helixtrans-62-23.2179.169.5-98000113Q88 L92 A93Q88-H90 PolarHBondContact O-N 3.28Å; Q88-H90 VanDerWaalsContact O-N 3.09Å; Q88-H90 PolarHBondContact OE1-CE1 2.84Å; Q88-H90 PolarHBondContact OE1-ND1 2.96Å; H90-L92 VanDerWaalsContact C-N 3.28Å; H90-L92 PolarHBondContact O-N 3.26Å; H90-A93 PolarHBondContact O-N 3.31Å; H90-A93 VanDerWaalsContact O-N 3.16Å
91L74.2Confident65.5Low42 Ų4281.2 Ų81.222%0.2248%0.476CS..G310 helixtrans-69.9-23.5178.1-63.6174.6000113.1Q67 I68 Y84 Q88 W89Q67-L91 PolarHBondContact NE2-O 2.7Å; Q67-L91 VanDerWaalsContact O-CD1 3.27Å; Q67-L91 WeakPolarHBondContact O-CD1 3.49Å; I68-L91 HydrophobicContact CG2-CB 4.41Å; Y84-L91 HydrophobicContact CE2-CD1 4.33Å; Q88-L91 HydrophobicContact CB-CD1 3.72Å; Q88-L91 HydrophobicContact CB-CG 4.03Å; Q88-L91 WeakPolarHBondContact O-CB 3.45Å; Q88-L91 PolarHBondContact O-N 3.45Å; Q88-L91 VanDerWaalsContact O-N 3.07Å; W89-L91 PolarHBondContact O-N 3.39Å
92L71.7Confident63.6Low61 Ų6189.6 Ų89.632%0.31950%0.503SS..G310 helixtrans-82.5-18.9173.2-65.3171000112.4L60 E64 I68 W89 H90L60-L92 HydrophobicContact CD2-CD1 4.01Å; E64-L92 HydrophobicContact CB-CD2 3.73Å; E64-L92 HydrophobicContact CG-CD2 3.78Å; I68-L92 HydrophobicContact CD1-CD1 4.13Å; I68-L92 HydrophobicContact CG2-CD1 3.65Å; I68-L92 HydrophobicContact CG2-CD2 4.19Å; I68-L92 HydrophobicContact CG2-CG 3.51Å; W89-L92 HydrophobicContact CE3-CD1 4.18Å; W89-L92 HydrophobicContact CZ3-CD1 4.38Å; W89-L92 PolarHBondContact O-N 2.85Å; W89-L92 VanDerWaalsContact O-N 3.16Å; H90-L92 VanDerWaalsContact C-N 3.28Å; H90-L92 PolarHBondContact O-N 3.26Å
93A66.3Low62Low78 Ų7890.7 Ų90.765%0.64551%0.511SS*.  trans-85.5-7.4-174.600000113.8H90 N95H90-A93 PolarHBondContact O-N 3.31Å; H90-A93 VanDerWaalsContact O-N 3.16Å; A93-N95 VanDerWaalsContact C-N 3.27Å; A93-N95 PolarHBondContact O-N 2.86Å
94Q55.9Low60.3Low125 Ų125100.6 Ų100.658%0.58455%0.55SS*.  trans-76.271.9179.7-80.1-169.8-2.700112.7
95N50.8Low58.9Low177 Ų177103.2 Ų103.295%0.94758%0.581SS**SBendtrans-1079.9152.1-105.1-11.2000112.1A93A93-N95 VanDerWaalsContact C-N 3.27Å; A93-N95 PolarHBondContact O-N 2.86Å
96G41.5Very low58.1Low52 Ų52101.1 Ų101.154%0.53657%0.571SS.*SBendtrans-140.9106.9179.300000113
97S42.7Very low58.1Low118 Ų118103.6 Ų103.683%0.82558%0.58SS**SBendtrans45.9125.1155.153.50000121.2
98S41.6Very low58.3Low101 Ų101105.4 Ų105.471%0.70659%0.588SS**  trans86.678.9153.3-50.70000117.6T100S98-T100 VanDerWaalsContact C-N 3.3Å; S98-T100 PolarHBondContact O-N 2.83Å
99A44.3Very low58.4Low85 Ų85106.1 Ų106.170%0.70259%0.591SS**  trans-68.378.3161.900000111.6
100T41.8Very low58.7Low127 Ų127102.3 Ų102.378%0.77959%0.59SS**  trans-154.150.1166.640.80000112.3S98S98-T100 VanDerWaalsContact C-N 3.3Å; S98-T100 PolarHBondContact O-N 2.83Å
101E43.4Very low59.2Low194 Ų19498.5 Ų98.591%0.90757%0.574SS**  trans-119.5110.9151.9-78.1-169.9163.700107.5D103E101-D103 PolarHBondContact O-N 2.98Å
102R44.6Very low59.5Low215 Ų215101.6 Ų101.681%0.81160%0.595SS**  trans-66.1132173.4-72.6-178.6-160.3165.66.1108.4Y104R102-Y104 VanDerWaalsContact C-N 3.27Å; R102-Y104 HydrophobicContact CB-CD2 4.03Å; R102-Y104 HydrophobicContact CB-CE2 4.06Å; R102-Y104 WeakPolarHBondContact O-CD2 3.11Å; R102-Y104 PolarHBondContact O-N 3.27Å
103D51.1Low59.9Low101 Ų101102.4 Ų102.454%0.5460%0.599SS.*  trans-51.864.5-179.6-153.97.8000114.7E101 A106E101-D103 PolarHBondContact O-N 2.98Å; D103-A106 WeakPolarHBondContact OD1-CB 3.26Å
104Y47.2Very low60.6Low215 Ų21599.4 Ų99.484%0.84358%0.576SS**  trans-89.32.2-176.3-92-77.9000114.8R102R102-Y104 VanDerWaalsContact C-N 3.27Å; R102-Y104 HydrophobicContact CB-CD2 4.03Å; R102-Y104 HydrophobicContact CB-CE2 4.06Å; R102-Y104 WeakPolarHBondContact O-CD2 3.11Å; R102-Y104 PolarHBondContact O-N 3.27Å
105G53.9Low62Low69 Ų6996.6 Ų96.671%0.71156%0.56SS**SBendtrans-124.2-7.9-174.100000116.2V107G105-V107 PolarHBondContact O-N 2.78Å
106A64.6Low63.5Low22 Ų2289.9 Ų89.918%0.18253%0.528CS..  trans-82.9105.1-175.200000111Y84 D103 L108Y84-A106 HydrophobicContact CD1-CB 3.65Å; Y84-A106 HydrophobicContact CE1-CB 3.47Å; Y84-A106 VanDerWaalsContact CE1-CB 3.47Å; D103-A106 WeakPolarHBondContact OD1-CB 3.26Å; A106-L108 PolarHBondContact O-N 2.99Å
107V77.8Confident65.6Low103 Ų10389.4 Ų89.462%0.62451%0.51SS*.  trans-72.9126.3174-173.40000108.7V85 G105V85-V107 HydrophobicContact CB-CB 4.39Å; V85-V107 HydrophobicContact CG2-CB 4Å; V85-V107 HydrophobicContact CG2-CG1 3.77Å; V85-V107 VanDerWaalsContact CG2-O 3.31Å; V85-V107 WeakPolarHBondContact CG2-O 3.23Å; V85-V107 PolarHBondContact N-O 2.65Å; G105-V107 PolarHBondContact O-N 2.78Å
108L82.4Confident67.4Low71 Ų7187.9 Ų87.937%0.37249%0.492SS..EExtended strand (participates in β ladder)trans-98.3142.2177.3-64.2173.7000110.5P71 R83 Y84 A106P71-L108 HydrophobicContact CB-CD2 4.39Å; P71-L108 HydrophobicContact CG-CD2 3.77Å; R83-L108 WeakPolarHBondContact O-CA 3.48Å; Y84-L108 HydrophobicContact CD1-CD2 3.59Å; Y84-L108 HydrophobicContact CE1-CD2 3.85Å; Y84-L108 HydrophobicContact CG-CD2 4.39Å; A106-L108 PolarHBondContact O-N 2.99Å
109E82.4Confident69.1Low53 Ų5385.7 Ų85.725%0.24847%0.472CS..EExtended strand (participates in β ladder)trans-129.8163.5172.161.1171.8-153.300111.5H52 Q82 R83 V85H52-E109 IonicContact NE2-OE1 3.94Å; Q82-E109 WeakPolarHBondContact CA-O 3.45Å; R83-E109 HydrophobicContact CG-CG 3.83Å; R83-E109 IonicContact CZ-OE1 3.19Å; R83-E109 PolarHBondContact N-O 3.34Å; R83-E109 IonicContact NE-OE1 2.94Å; R83-E109 PolarHBondContact NE-OE1 3.09Å; R83-E109 IonicContact NH2-OE1 2.78Å; R83-E109 PolarHBondContact NH2-OE1 2.98Å; R83-E109 PolarHBondContact O-N 3.48Å; V85-E109 HydrophobicContact CB-CG 4.46Å; V85-E109 HydrophobicContact CG2-CB 3.73Å; V85-E109 HydrophobicContact CG2-CG 3.66Å
110G81.9Confident70.6Confident44 Ų4487 Ų8745%0.45447%0.471SS..EExtended strand (participates in β ladder)trans-69.7166.5170.100000112V112G110-V112 WeakPolarHBondContact O-CG2 3.45Å; G110-V112 PolarHBondContact O-N 2.87Å
111C82.8Confident72Confident15 Ų1586.5 Ų86.510%0.10146%0.464CS..  trans-7390.4-179.9-460000111.8C49 G114 W115C49-C111 WeakPolarHBondContact CA-SG 3.42Å; C49-C111 HydrophobicContact CB-CB 3.63Å; C49-C111 WeakPolarHBondContact CB-SG 3.27Å; C49-C111 VanDerWaalsContact SG-CA 3.54Å; C49-C111 WeakPolarHBondContact SG-CB 3.22Å; C49-C111 CovalentContact SG-SG 2.02Å; C49-C111 PolarHBondContact SG-SG 3.03Å; C111-G114 WeakPolarHBondContact CB-O 3.32Å; C111-W115 HydrophobicContact CB-CD2 4.46Å; C111-W115 HydrophobicContact CB-CZ2 4.25Å; C111-W115 PolarHBondContact SG-NE1 3.16Å; C111-W115 VanDerWaalsContact SG-NE1 3.36Å
112V81Confident73.6Confident108 Ų10878 Ų7866%0.65542%0.424SS*.THydrogen-bonded Turntrans-77.9-37.5-179-168.10000112.4G110 G114G110-V112 WeakPolarHBondContact O-CG2 3.45Å; G110-V112 PolarHBondContact O-N 2.87Å; V112-G114 PolarHBondContact O-N 3.47Å
113D79.1Confident75.2Confident77 Ų7771.6 Ų71.641%0.41241%0.409SS..THydrogen-bonded Turntrans-86.112.3-177.3-62.9-49.6000113.4S50 R83S50-D113 WeakPolarHBondContact OG-CB 3.38Å; S50-D113 PolarHBondContact OG-O 3.4Å; R83-D113 IonicContact CZ-OD2 3.62Å; R83-D113 VanDerWaalsContact CZ-OD2 3.23Å; R83-D113 IonicContact NH1-OD2 2.75Å; R83-D113 PolarHBondContact NH1-OD2 3.48Å; R83-D113 IonicContact NH2-OD2 2.84Å; R83-D113 PolarHBondContact NH2-OD2 3.41Å
114G82.5Confident76.8Confident16 Ų1667.6 Ų67.617%0.16539%0.389CS..  trans93.9-164.3-178.700000115S50 C111 V112S50-G114 PolarHBondContact N-O 3.27Å; S50-G114 PolarHBondContact OG-N 3.18Å; S50-G114 PolarHBondContact OG-O 3.43Å; C111-G114 WeakPolarHBondContact CB-O 3.32Å; V112-G114 PolarHBondContact O-N 3.47Å
115W84.8Confident78.7Confident65 Ų6557.4 Ų57.425%0.24635%0.349CS..EExtended strand (participates in β ladder)trans-129.9143.2-171.8-61.4-92.3000111.9H48 C111 Y117 H131H48-W115 WeakPolarHBondContact O-CA 3.34Å; C111-W115 HydrophobicContact CB-CD2 4.46Å; C111-W115 HydrophobicContact CB-CZ2 4.25Å; C111-W115 PolarHBondContact SG-NE1 3.16Å; C111-W115 VanDerWaalsContact SG-NE1 3.36Å; W115-Y117 HydrophobicContact CB-CE1 4.43Å; W115-Y117 HydrophobicContact CB-CE2 3.94Å; W115-H131 HydrophobicContact CE3-CB 3.58Å; W115-H131 AromaticContact CE3-CG 3.7Å; W115-H131 AromaticContact CE3-ND1 3.81Å; W115-H131 HydrophobicContact CH2-CB 4.48Å; W115-H131 HydrophobicContact CZ3-CB 3.56Å
116S82.9Confident80.3Confident37 Ų3754.2 Ų54.226%0.25932%0.316SS..EExtended strand (participates in β ladder)trans-106.2129.5168.835.80000109.5H47 H48H47-S116 VanDerWaalsContact CA-O 3.3Å; H47-S116 WeakPolarHBondContact CA-O 3.29Å; H48-S116 PolarHBondContact CD2-OG 3.23Å; H48-S116 PolarHBondContact CE1-OG 3.08Å; H48-S116 PolarHBondContact N-O 3.44Å; H48-S116 PolarHBondContact NE2-OG 3.43Å; H48-S116 PolarHBondContact O-N 3.17Å; H48-S116 PolarHBondContact O-OG 2.9Å
117Y84.1Confident81.2Confident41 Ų4153.2 Ų53.216%0.16131%0.307CS..EExtended strand (participates in β ladder)trans-108.9137.2-178.7-59.5-80.6000110.7P45 H47 W115 M119 H131 V133P45-Y117 HydrophobicContact CG-CD1 3.71Å; P45-Y117 HydrophobicContact CG-CE1 4.47Å; P45-Y117 HydrophobicContact CG-CG 4.29Å; H47-Y117 HydrophobicContact CB-CD1 3.5Å; H47-Y117 HydrophobicContact CB-CE1 3.64Å; H47-Y117 HydrophobicContact CB-CG 4.46Å; W115-Y117 HydrophobicContact CB-CE1 4.43Å; W115-Y117 HydrophobicContact CB-CE2 3.94Å; Y117-M119 HydrophobicContact CG-CE 4.01Å; Y117-M119 PolarHBondContact O-N 3.21Å; Y117-H131 AromaticContact CE2-CE1 3.85Å; Y117-H131 AromaticContact CE2-ND1 3.49Å; Y117-H131 WeakPolarHBondContact CE2-ND1 3.15Å; Y117-H131 AromaticContact CZ-ND1 3.77Å; Y117-H131 PolarHBondContact OH-ND1 3.4Å; Y117-H131 VanDerWaalsContact OH-ND1 3.11Å; Y117-V133 HydrophobicContact CE1-CG2 3.86Å; Y117-V133 WeakPolarHBondContact OH-CG2 3.48Å
118N80.3Confident81.4Confident86 Ų8649 Ų4946%0.4628%0.282SS..  trans-83.7113.5166.9-167.5-8.4000109.3P46 T120P46-N118 HydrophobicContact CB-CB 4.32Å; P46-N118 PolarHBondContact O-N 2.88Å; N118-T120 WeakPolarHBondContact OD1-CG2 3.44Å
119M78.7Confident81.6Confident56 Ų5648.6 Ų48.628%0.27628%0.281SS..  trans-114.831.1-169.9-73.4-57.2-169.200112.6P45 Y117 D121 M122 S128P45-M119 HydrophobicContact CB-CE 4.2Å; P45-M119 HydrophobicContact CB-SD 3.98Å; P45-M119 HydrophobicContact CG-CE 3.57Å; P45-M119 HydrophobicContact CG-SD 4Å; Y117-M119 HydrophobicContact CG-CE 4.01Å; Y117-M119 PolarHBondContact O-N 3.21Å; M119-D121 VanDerWaalsContact C-N 3.3Å; M119-D121 PolarHBondContact O-N 3.29Å; M119-M122 CarbonylContact C-O 3.44Å; M119-M122 WeakPolarHBondContact CB-O 3.44Å; M119-S128 WeakPolarHBondContact CE-OG 3.48Å
120T76Confident81.7Confident111 Ų11148.3 Ų48.368%0.68128%0.277SS*.SBendtrans-60.6-36.7-179.745.40000113.7N118N118-T120 WeakPolarHBondContact OD1-CG2 3.44Å
121D70.9Confident81.8Confident118 Ų11849.9 Ų49.963%0.63127%0.272SS*.SBendtrans-98.4-11.7-174.9-61.4-20.5000113.1M119M119-D121 VanDerWaalsContact C-N 3.3Å; M119-D121 PolarHBondContact O-N 3.29Å
122M76.8Confident81.8Confident16 Ų1649.6 Ų49.68%0.07927%0.27CS..  trans-148.8142.7-172.7-68.8-171.8166.900111.6M43 M119 T125 I373 Y374M43-M122 HydrophobicContact CB-CE 4.13Å; M43-M122 HydrophobicContact CB-SD 3.93Å; M43-M122 HydrophobicContact CG-CE 4.28Å; M43-M122 HydrophobicContact CG-SD 4.24Å; M43-M122 HydrophobicContact SD-CE 3.17Å; M43-M122 WeakPolarHBondContact SD-CE 3.44Å; M43-M122 HydrophobicContact SD-SD 3.41Å; M119-M122 CarbonylContact C-O 3.44Å; M119-M122 WeakPolarHBondContact CB-O 3.44Å; M122-T125 HydrophobicContact SD-CG2 3.75Å; M122-I373 HydrophobicContact CE-CD1 3.82Å; M122-Y374 HydrophobicContact CE-CE2 4.5Å; M122-Y374 VanDerWaalsContact CE-OH 3.24Å; M122-Y374 WeakPolarHBondContact CE-OH 3.3Å
123T77.9Confident81.8Confident80 Ų8044.7 Ų44.749%0.49124%0.24SC..SBendtrans-84.3-40.3-179.845.10000113.1T251 D252T123-T251 WeakPolarHBondContact CG2-OG1 3.43Å; T123-T251 VanDerWaalsContact OG1-C 3.3Å; T123-T251 PolarHBondContact OG1-OG1 3.35Å; T123-D252 WeakPolarHBondContact CB-OD1 3.41Å; T123-D252 PolarHBondContact OG1-N 3.16Å; T123-D252 PolarHBondContact OG1-OD1 3.21Å
124S84.6Confident81.9Confident17 Ų1742.2 Ų42.212%0.11923%0.229CC..BIsolated β-bridgetrans-156.7144.4178.161.30000112.3D252 W253S124-D252 PolarHBondContact OG-OD1 3.02Å; S124-W253 PolarHBondContact O-N 2.69Å
125T87.9Confident81.7Confident1 Ų149 Ų491%0.00626%0.261CS..  trans-130.4161.8171.173.70000111.4M43 M122 I127 S128 D129 W253M43-T125 HydrophobicContact CB-CG2 4.36Å; M43-T125 PolarHBondContact O-OG1 2.95Å; M122-T125 HydrophobicContact SD-CG2 3.75Å; T125-I127 PolarHBondContact O-N 2.88Å; T125-I127 VanDerWaalsContact O-N 3.1Å; T125-I127 PolarHBondContact OG1-N 2.98Å; T125-S128 PolarHBondContact N-OG 3.48Å; T125-S128 PolarHBondContact O-N 3.47Å; T125-S128 VanDerWaalsContact O-N 3.14Å; T125-S128 PolarHBondContact O-OG 3.48Å; T125-S128 PolarHBondContact OG1-N 2.93Å; T125-D129 PolarHBondContact O-N 3.22Å; T125-W253 VanDerWaalsContact C-CD1 3.41Å
126I86.1Confident81.5Confident2 Ų249.5 Ų49.51%0.0127%0.268CS..Hα-helixtrans-55.4-30.2172.3-82.6179000112V41 W130 L132 F191 F194 W253V41-I126 HydrophobicContact CB-CD1 4.44Å; V41-I126 HydrophobicContact CG1-CB 4.42Å; V41-I126 HydrophobicContact CG1-CD1 3.15Å; V41-I126 HydrophobicContact CG1-CG1 3.59Å; V41-I126 WeakPolarHBondContact O-CB 3.13Å; V41-I126 PolarHBondContact O-N 3.11Å; I126-W130 HydrophobicContact CB-CE3 4.42Å; I126-W130 HydrophobicContact CB-CZ3 4.24Å; I126-W130 HydrophobicContact CD1-CZ3 4.2Å; I126-W130 HydrophobicContact CG1-CE3 4.5Å; I126-W130 HydrophobicContact CG1-CH2 4.49Å; I126-W130 HydrophobicContact CG1-CZ3 3.88Å; I126-W130 HydrophobicContact CG2-CE3 3.72Å; I126-W130 HydrophobicContact CG2-CZ3 3.7Å; I126-W130 PolarHBondContact O-N 3.32Å; I126-L132 HydrophobicContact CG2-CD1 3.79Å; I126-F191 HydrophobicContact CG2-CD2 4.3Å; I126-F191 HydrophobicContact CG2-CE2 4.31Å; I126-F194 HydrophobicContact CD1-CD1 4.02Å; I126-F194 HydrophobicContact CD1-CD2 4.03Å; I126-F194 HydrophobicContact CD1-CE1 3.4Å; I126-F194 VanDerWaalsContact CD1-CE1 3.4Å; I126-F194 HydrophobicContact CD1-CE2 3.42Å; I126-F194 VanDerWaalsContact CD1-CE2 3.42Å; I126-F194 HydrophobicContact CD1-CG 4.3Å; I126-F194 HydrophobicContact CD1-CZ 3.05Å; I126-F194 HydrophobicContact CG1-CZ 4.48Å; I126-W253 HydrophobicContact CD1-CE3 4.04Å; I126-W253 HydrophobicContact CD1-CZ3 4.21Å; I126-W253 HydrophobicContact CG1-CD2 3.7Å; I126-W253 HydrophobicContact CG1-CE3 3.64Å; I126-W253 HydrophobicContact CG1-CG 4.26Å; I126-W253 HydrophobicContact CG1-CH2 4.26Å; I126-W253 HydrophobicContact CG1-CZ2 4.31Å; I126-W253 HydrophobicContact CG1-CZ3 3.94Å
127I84.3Confident81.3Confident1 Ų152.3 Ų52.31%0.00527%0.273CS..Hα-helixtrans-77.6-37.5-177-60.6-170.4000110.8A42 V44 T125 H131 L132 V133 K140A42-I127 HydrophobicContact CB-CD1 4.27Å; A42-I127 HydrophobicContact CB-CG1 4.39Å; A42-I127 WeakPolarHBondContact O-CD1 3.47Å; V44-I127 HydrophobicContact CB-CD1 4.23Å; V44-I127 HydrophobicContact CG2-CD1 3.35Å; T125-I127 PolarHBondContact O-N 2.88Å; T125-I127 VanDerWaalsContact O-N 3.1Å; T125-I127 PolarHBondContact OG1-N 2.98Å; I127-H131 CarbonylContact O-C 3.57Å; I127-H131 WeakPolarHBondContact O-CA 3.39Å; I127-H131 PolarHBondContact O-N 3.1Å; I127-L132 HydrophobicContact CG2-CB 4.48Å; I127-L132 PolarHBondContact O-N 3.46Å; I127-V133 HydrophobicContact CG2-CG2 3.48Å; I127-V133 VanDerWaalsContact CG2-CG2 3.48Å; I127-K140 HydrophobicContact CD1-CD 3.86Å; I127-K140 HydrophobicContact CD1-CG 4.37Å
128S82.3Confident81.3Confident14 Ų1452.6 Ų52.610%0.09828%0.281CS..Hα-helixtrans-73.9-39.6175.760.40000112.9M119 T125 H131M119-S128 WeakPolarHBondContact CE-OG 3.48Å; T125-S128 PolarHBondContact N-OG 3.48Å; T125-S128 PolarHBondContact O-N 3.47Å; T125-S128 VanDerWaalsContact O-N 3.14Å; T125-S128 PolarHBondContact O-OG 3.48Å; T125-S128 PolarHBondContact OG1-N 2.93Å; S128-H131 PolarHBondContact O-CE1 2.94Å; S128-H131 PolarHBondContact O-ND1 3.32Å
129D85.2Confident81.6Confident63 Ų6350.2 Ų50.234%0.33727%0.268SS..Hα-helixtrans-69.6-35.1-175.3-79.621.9000112.8T125 W253T125-D129 PolarHBondContact O-N 3.22Å; D129-W253 VanDerWaalsContact CG-NE1 3.34Å; D129-W253 PolarHBondContact OD2-NE1 3.12Å
130W86.4Confident81.9Confident47 Ų4749.4 Ų49.418%0.17826%0.263CS..THydrogen-bonded Turntrans-113.613.3-179.5-61.3-42.3000113.4I126 L132 P189 F191 F194 W253I126-W130 HydrophobicContact CB-CE3 4.42Å; I126-W130 HydrophobicContact CB-CZ3 4.24Å; I126-W130 HydrophobicContact CD1-CZ3 4.2Å; I126-W130 HydrophobicContact CG1-CE3 4.5Å; I126-W130 HydrophobicContact CG1-CH2 4.49Å; I126-W130 HydrophobicContact CG1-CZ3 3.88Å; I126-W130 HydrophobicContact CG2-CE3 3.72Å; I126-W130 HydrophobicContact CG2-CZ3 3.7Å; I126-W130 PolarHBondContact O-N 3.32Å; W130-L132 VanDerWaalsContact C-N 3.31Å; W130-L132 HydrophobicContact CB-CD1 4.19Å; W130-L132 HydrophobicContact CB-CD2 4.34Å; W130-L132 HydrophobicContact CB-CG 3.94Å; W130-L132 HydrophobicContact CE3-CD1 4.16Å; W130-L132 PolarHBondContact O-N 3.32Å; W130-P189 PolarHBondContact NE1-O 2.97Å; W130-F191 HydrophobicContact CD2-CB 4.05Å; W130-F191 HydrophobicContact CE3-CB 3.71Å; W130-F191 AromaticContact CE3-CD2 3.62Å; W130-F191 HydrophobicContact CE3-CD2 3.62Å; W130-F191 HydrophobicContact CE3-CG 4.16Å; W130-F191 HydrophobicContact CZ3-CB 4.15Å; W130-F191 AromaticContact CZ3-CD2 3.73Å; W130-F191 HydrophobicContact CZ3-CD2 3.73Å; W130-F191 HydrophobicContact CZ3-CG 4.45Å; W130-F194 HydrophobicContact CH2-CB 3.52Å; W130-F194 HydrophobicContact CH2-CD2 4.12Å; W130-F194 AromaticContact CH2-CG 3.83Å; W130-F194 HydrophobicContact CH2-CG 3.83Å; W130-F194 HydrophobicContact CZ2-CB 4.49Å; W130-F194 HydrophobicContact CZ3-CB 3.89Å; W130-F194 HydrophobicContact CZ3-CD1 4.26Å; W130-F194 HydrophobicContact CZ3-CD2 4.47Å; W130-F194 AromaticContact CZ3-CG 3.95Å; W130-F194 HydrophobicContact CZ3-CG 3.95Å; W130-W253 AromaticContact CH2-CH2 3.75Å; W130-W253 HydrophobicContact CH2-CH2 3.75Å; W130-W253 HydrophobicContact CH2-CZ2 4.25Å; W130-W253 HydrophobicContact CH2-CZ3 4.49Å; W130-W253 HydrophobicContact CZ2-CH2 4.08Å; W130-W253 HydrophobicContact CZ2-CZ2 4.34Å
131H83.8Confident82.4Confident76 Ų7645 Ų4535%0.35224%0.235SC..THydrogen-bonded Turntrans48.946.2178.1-58.6-59.5000114.4W115 Y117 I127 S128 V133W115-H131 HydrophobicContact CE3-CB 3.58Å; W115-H131 AromaticContact CE3-CG 3.7Å; W115-H131 AromaticContact CE3-ND1 3.81Å; W115-H131 HydrophobicContact CH2-CB 4.48Å; W115-H131 HydrophobicContact CZ3-CB 3.56Å; Y117-H131 AromaticContact CE2-CE1 3.85Å; Y117-H131 AromaticContact CE2-ND1 3.49Å; Y117-H131 WeakPolarHBondContact CE2-ND1 3.15Å; Y117-H131 AromaticContact CZ-ND1 3.77Å; Y117-H131 PolarHBondContact OH-ND1 3.4Å; Y117-H131 VanDerWaalsContact OH-ND1 3.11Å; I127-H131 CarbonylContact O-C 3.57Å; I127-H131 WeakPolarHBondContact O-CA 3.39Å; I127-H131 PolarHBondContact O-N 3.1Å; S128-H131 PolarHBondContact O-CE1 2.94Å; S128-H131 PolarHBondContact O-ND1 3.32Å; H131-V133 PolarHBondContact O-N 2.85Å
132L81.5Confident83.2Confident10 Ų1043.3 Ų43.35%0.05222%0.224CC..  trans-83.358-174-61.1171.4000112.3I126 I127 W130 L136 L139 F191I126-L132 HydrophobicContact CG2-CD1 3.79Å; I127-L132 HydrophobicContact CG2-CB 4.48Å; I127-L132 PolarHBondContact O-N 3.46Å; W130-L132 VanDerWaalsContact C-N 3.31Å; W130-L132 HydrophobicContact CB-CD1 4.19Å; W130-L132 HydrophobicContact CB-CD2 4.34Å; W130-L132 HydrophobicContact CB-CG 3.94Å; W130-L132 HydrophobicContact CE3-CD1 4.16Å; W130-L132 PolarHBondContact O-N 3.32Å; L132-L136 HydrophobicContact CD2-CB 4.41Å; L132-L139 HydrophobicContact CD2-CB 4.17Å; L132-L139 HydrophobicContact CD2-CD1 3.81Å; L132-F191 HydrophobicContact CD1-CD2 3.44Å; L132-F191 VanDerWaalsContact CD1-CD2 3.44Å; L132-F191 HydrophobicContact CD1-CE2 3.69Å; L132-F191 HydrophobicContact CD1-CG 4.01Å; L132-F191 HydrophobicContact CD1-CZ 4.46Å; L132-F191 HydrophobicContact CD2-CG 4.47Å
133V81.4Confident83.8Confident4 Ų442.6 Ų42.62%0.02422%0.221CC..  trans-126.1162.4-169.3-165.90000110.2H47 Y117 I127 H131 D135 L136H47-V133 WeakPolarHBondContact CD2-CG1 3.07Å; H47-V133 WeakPolarHBondContact CE1-CG1 3.27Å; H47-V133 WeakPolarHBondContact NE2-CG1 3.41Å; Y117-V133 HydrophobicContact CE1-CG2 3.86Å; Y117-V133 WeakPolarHBondContact OH-CG2 3.48Å; I127-V133 HydrophobicContact CG2-CG2 3.48Å; I127-V133 VanDerWaalsContact CG2-CG2 3.48Å; H131-V133 PolarHBondContact O-N 2.85Å; V133-D135 PolarHBondContact O-N 3.44Å; V133-D135 VanDerWaalsContact O-N 3.11Å; V133-L136 PolarHBondContact O-N 3.18Å; V133-L136 VanDerWaalsContact O-N 3.07Å
134C81.8Confident84.3Confident25 Ų2539.2 Ų39.217%0.16920%0.2CC..G310 helixtrans55.3-113.6180-51.40000111.4C81 L136 R137C81-C134 WeakPolarHBondContact CA-SG 3.45Å; C81-C134 HydrophobicContact CB-CB 3.83Å; C81-C134 WeakPolarHBondContact CB-SG 3.44Å; C81-C134 VanDerWaalsContact SG-CA 3.52Å; C81-C134 WeakPolarHBondContact SG-CB 3.46Å; C81-C134 CovalentContact SG-SG 2.03Å; C81-C134 PolarHBondContact SG-SG 2.89Å; C134-L136 PolarHBondContact O-N 2.93Å; C134-R137 WeakPolarHBondContact O-CB 3.39Å; C134-R137 PolarHBondContact O-N 3.32Å
135D78.9Confident84.7Confident158 Ų15839.4 Ų39.485%0.84520%0.2SC*.G310 helixtrans-59.3-30.5-179.5-57.9-31.9000112.9V133V133-D135 PolarHBondContact O-N 3.44Å; V133-D135 VanDerWaalsContact O-N 3.11Å
136L79.4Confident85Confident77 Ų7742 Ų4240%0.40321%0.213SC..G310 helixtrans-90.64.1-179.5-65.4171.8000113.2L132 V133 C134 S138 L139L132-L136 HydrophobicContact CD2-CB 4.41Å; V133-L136 PolarHBondContact O-N 3.18Å; V133-L136 VanDerWaalsContact O-N 3.07Å; C134-L136 PolarHBondContact O-N 2.93Å; L136-S138 PolarHBondContact O-N 3.34Å; L136-L139 HydrophobicContact CB-CD1 3.88Å; L136-L139 HydrophobicContact CD2-CD1 3.41Å; L136-L139 VanDerWaalsContact CD2-CD1 3.41Å; L136-L139 HydrophobicContact CG-CD1 4.19Å; L136-L139 WeakPolarHBondContact O-CB 3.27Å; L136-L139 PolarHBondContact O-N 2.95Å; L136-L139 VanDerWaalsContact O-N 3.16Å
137R79.4Confident85.3Confident96 Ų9642 Ų4236%0.36221%0.213SC..G310 helixtrans-56.4-35.1178.7175.7-177.4-69.8-156.5-1.1112.6C134 L139 K140 D486C134-R137 WeakPolarHBondContact O-CB 3.39Å; C134-R137 PolarHBondContact O-N 3.32Å; R137-L139 PolarHBondContact O-N 3.06Å; R137-K140 WeakPolarHBondContact O-CB 3.5Å; R137-K140 PolarHBondContact O-N 3.09Å; R137-K140 VanDerWaalsContact O-N 3.15Å; R137-D486 WeakPolarHBondContact CD-OD1 3.3Å; R137-D486 IonicContact NH1-OD1 3.23Å; R137-D486 PolarHBondContact NH1-OD1 3.13Å
138S84.1Confident85.7Confident46 Ų4641.9 Ų41.932%0.32221%0.213SC..Hα-helixtrans-61-27.5-177.661.30000113.1L136 K140 Q141 M142 L483L136-S138 PolarHBondContact O-N 3.34Å; S138-K140 VanDerWaalsContact C-N 3.29Å; S138-K140 PolarHBondContact O-N 2.93Å; S138-Q141 PolarHBondContact O-N 2.81Å; S138-M142 PolarHBondContact O-N 2.85Å; S138-L483 VanDerWaalsContact CA-CD2 3.47Å
139L85.4Confident86.3Confident37 Ų3741.7 Ų41.719%0.19421%0.213CC..Hα-helixtrans-63-32.9178.1-73.5153000112.2L132 L136 R137 Q141 M142 G143 F191L132-L139 HydrophobicContact CD2-CB 4.17Å; L132-L139 HydrophobicContact CD2-CD1 3.81Å; L136-L139 HydrophobicContact CB-CD1 3.88Å; L136-L139 HydrophobicContact CD2-CD1 3.41Å; L136-L139 VanDerWaalsContact CD2-CD1 3.41Å; L136-L139 HydrophobicContact CG-CD1 4.19Å; L136-L139 WeakPolarHBondContact O-CB 3.27Å; L136-L139 PolarHBondContact O-N 2.95Å; L136-L139 VanDerWaalsContact O-N 3.16Å; R137-L139 PolarHBondContact O-N 3.06Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 3.28Å; L139-M142 HydrophobicContact CD2-CE 4.05Å; L139-M142 HydrophobicContact CD2-SD 4.06Å; L139-M142 WeakPolarHBondContact O-CB 3.47Å; L139-M142 PolarHBondContact O-N 3.23Å; L139-G143 PolarHBondContact O-N 3.25Å; L139-F191 HydrophobicContact CB-CD1 4.39Å; L139-F191 HydrophobicContact CB-CE1 3.75Å; L139-F191 HydrophobicContact CB-CZ 4.05Å; L139-F191 HydrophobicContact CD2-CD1 3.95Å; L139-F191 HydrophobicContact CD2-CE1 3.62Å; L139-F191 HydrophobicContact CG-CE1 4.28Å; L139-F191 WeakPolarHBondContact O-CZ 3.45Å
140K85.1Confident86.7Confident39 Ų3938.7 Ų38.717%0.1720%0.197CC..Hα-helixtrans-54.3-49.4174.5173.4-176.3175.8162.10111.4A42 V44 I127 R137 S138 G143 Q144A42-K140 HydrophobicContact CB-CD 4.46Å; A42-K140 HydrophobicContact CB-CG 4.08Å; A42-K140 WeakPolarHBondContact O-CE 3.43Å; A42-K140 PolarHBondContact O-NZ 2.92Å; V44-K140 HydrophobicContact CG2-CD 4.29Å; I127-K140 HydrophobicContact CD1-CD 3.86Å; I127-K140 HydrophobicContact CD1-CG 4.37Å; R137-K140 WeakPolarHBondContact O-CB 3.5Å; R137-K140 PolarHBondContact O-N 3.09Å; R137-K140 VanDerWaalsContact O-N 3.15Å; S138-K140 VanDerWaalsContact C-N 3.29Å; S138-K140 PolarHBondContact O-N 2.93Å; K140-G143 PolarHBondContact O-N 2.93Å; K140-Q144 PolarHBondContact O-N 2.68Å
141Q86.4Confident87.1Confident19 Ų1936.5 Ų36.59%0.08919%0.189CC..Hα-helixtrans-77.8-30.3-176.4-56.9-176.811.100111.3S138 L139 Q144 T145 P479 L483S138-Q141 PolarHBondContact O-N 2.81Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 3.28Å; Q141-Q144 PolarHBondContact O-N 3.28Å; Q141-T145 WeakPolarHBondContact O-CB 3.3Å; Q141-T145 PolarHBondContact O-N 2.92Å; Q141-T145 PolarHBondContact O-OG1 3.37Å; Q141-P479 HydrophobicContact CB-CB 4.24Å; Q141-P479 PolarHBondContact OE1-O 3.02Å; Q141-L483 HydrophobicContact CB-CD2 3.83Å; Q141-L483 HydrophobicContact CB-CG 4.11Å; Q141-L483 VanDerWaalsContact CD-CD2 3.46Å; Q141-L483 HydrophobicContact CG-CD2 3.99Å
142M88.6Confident87.5Confident81 Ų8134.1 Ų34.140%0.39918%0.178SC..Hα-helixtrans-59.3-46.4168.7-168.6-171.1-58.700111.6S138 L139 Q144 T145 I146 M480S138-M142 PolarHBondContact O-N 2.85Å; L139-M142 HydrophobicContact CD2-CE 4.05Å; L139-M142 HydrophobicContact CD2-SD 4.06Å; L139-M142 WeakPolarHBondContact O-CB 3.47Å; L139-M142 PolarHBondContact O-N 3.23Å; M142-Q144 VanDerWaalsContact C-N 3.29Å; M142-Q144 PolarHBondContact O-N 3.46Å; M142-T145 WeakPolarHBondContact O-CB 3.19Å; M142-T145 PolarHBondContact O-N 2.97Å; M142-T145 VanDerWaalsContact O-N 3.1Å; M142-I146 HydrophobicContact CG-CD1 3.98Å; M142-I146 HydrophobicContact CG-CG1 4.45Å; M142-I146 VanDerWaalsContact O-CG1 3.31Å; M142-I146 WeakPolarHBondContact O-CG1 3.21Å; M142-I146 PolarHBondContact O-N 3.44Å; M142-I146 HydrophobicContact SD-CD1 4.48Å; M142-M480 HydrophobicContact CB-CE 4.41Å
143G88.9Confident88.1Confident2 Ų236.2 Ų36.22%0.02119%0.192CC..Hα-helixtrans-57.9-40.4177.200000112.8L139 K140 I146 Y147L139-G143 PolarHBondContact O-N 3.25Å; K140-G143 PolarHBondContact O-N 2.93Å; G143-I146 PolarHBondContact O-N 3.49Å; G143-Y147 PolarHBondContact O-N 3.33Å
144Q89.1Confident88.5Confident8 Ų836 Ų364%0.03719%0.191CC..Hα-helixtrans-69.5-37.8175.7-170.85821.200112.8Q38 K140 Q141 M142 Y147 M148 M364 P479Q38-Q144 HydrophobicContact CG-CB 4.34Å; K140-Q144 PolarHBondContact O-N 2.68Å; Q141-Q144 PolarHBondContact O-N 3.28Å; M142-Q144 VanDerWaalsContact C-N 3.29Å; M142-Q144 PolarHBondContact O-N 3.46Å; Q144-Y147 WeakPolarHBondContact O-CB 3.43Å; Q144-Y147 PolarHBondContact O-N 3.15Å; Q144-M148 WeakPolarHBondContact O-CG 3.43Å; Q144-M148 PolarHBondContact O-N 3.44Å; Q144-M364 HydrophobicContact CG-CE 3.64Å; Q144-M364 HydrophobicContact CG-SD 3.52Å; Q144-M364 VanDerWaalsContact CG-SD 3.52Å; Q144-P479 HydrophobicContact CB-CB 4.29Å; Q144-P479 HydrophobicContact CB-CG 4.1Å; Q144-P479 HydrophobicContact CG-CB 4.41Å; Q144-P479 HydrophobicContact CG-CG 3.8Å
145T92.1Very high88.9Confident21 Ų2135.8 Ų35.813%0.12919%0.19CC..Hα-helixtrans-65.4-41.1175.7-60.70000111.2Q141 M142 M148 G149 M476 P479 M480Q141-T145 WeakPolarHBondContact O-CB 3.3Å; Q141-T145 PolarHBondContact O-N 2.92Å; Q141-T145 PolarHBondContact O-OG1 3.37Å; M142-T145 WeakPolarHBondContact O-CB 3.19Å; M142-T145 PolarHBondContact O-N 2.97Å; M142-T145 VanDerWaalsContact O-N 3.1Å; T145-M148 PolarHBondContact O-N 3.49Å; T145-G149 PolarHBondContact O-N 3.45Å; T145-M476 HydrophobicContact CG2-CG 3.75Å; T145-M476 WeakPolarHBondContact CG2-O 3.49Å; T145-P479 WeakPolarHBondContact OG1-CB 3.43Å; T145-M480 HydrophobicContact CG2-CE 3.93Å; T145-M480 HydrophobicContact CG2-CG 3.89Å; T145-M480 HydrophobicContact CG2-SD 4.36Å; T145-M480 WeakPolarHBondContact OG1-CE 3.36Å
146I94.3Very high89.3Confident55 Ų5533 Ų3328%0.28217%0.174SC..Hα-helixtrans-61.6-44.6174.4-69.8167.6000110.3M142 G143 M148 G149 G150 C195 F199M142-I146 HydrophobicContact CG-CD1 3.98Å; M142-I146 HydrophobicContact CG-CG1 4.45Å; M142-I146 VanDerWaalsContact O-CG1 3.31Å; M142-I146 WeakPolarHBondContact O-CG1 3.21Å; M142-I146 PolarHBondContact O-N 3.44Å; M142-I146 HydrophobicContact SD-CD1 4.48Å; G143-I146 PolarHBondContact O-N 3.49Å; I146-M148 PolarHBondContact O-N 3.44Å; I146-G149 PolarHBondContact O-N 2.96Å; I146-G150 PolarHBondContact O-N 3.24Å; I146-C195 HydrophobicContact CD1-CB 3.91Å; I146-C195 HydrophobicContact CG2-CB 4.33Å; I146-F199 HydrophobicContact CG2-CB 3.81Å; I146-F199 HydrophobicContact CG2-CD2 4.15Å; I146-F199 HydrophobicContact CG2-CG 4.46Å; I146-F199 WeakPolarHBondContact O-CD2 3.09Å
147Y93.9Very high89.9Confident2 Ų232.1 Ų32.11%0.00817%0.173CC..Hα-helixtrans-57-48.9174176.6-94.3000111.9H34 N35 G143 Q144 G149 G150 V151 R198 C201 L205H34-Y147 PolarHBondContact O-OH 3.35Å; N35-Y147 WeakPolarHBondContact CA-OH 3.37Å; N35-Y147 PolarHBondContact N-OH 3.32Å; N35-Y147 WeakPolarHBondContact OD1-CE1 3.18Å; G143-Y147 PolarHBondContact O-N 3.33Å; Q144-Y147 WeakPolarHBondContact O-CB 3.43Å; Q144-Y147 PolarHBondContact O-N 3.15Å; Y147-G149 VanDerWaalsContact C-N 3.34Å; Y147-G149 PolarHBondContact O-N 3.23Å; Y147-G150 WeakPolarHBondContact O-CA 3.48Å; Y147-G150 PolarHBondContact O-N 2.95Å; Y147-G150 VanDerWaalsContact O-N 3.1Å; Y147-V151 HydrophobicContact CD1-CG2 4.33Å; Y147-V151 HydrophobicContact CE1-CG2 3.97Å; Y147-V151 WeakPolarHBondContact O-CG2 3.07Å; Y147-V151 PolarHBondContact O-N 3.02Å; Y147-R198 HydrophobicContact CD2-CB 4.42Å; Y147-R198 VanDerWaalsContact CD2-O 3.26Å; Y147-R198 WeakPolarHBondContact CD2-O 3.4Å; Y147-C201 HydrophobicContact CE2-CB 4.06Å; Y147-L205 WeakPolarHBondContact OH-CD2 3.2Å
148M92.6Very high90.2Very high0 Ų028.2 Ų28.20%016%0.158CC..Hα-helixtrans-67.1-32177.8-71.2-61.2-177.800113.3N35 Q144 T145 I146 G150 V151 L152 Y360 M364 M476N35-M148 VanDerWaalsContact OD1-CE 3.24Å; N35-M148 WeakPolarHBondContact OD1-CE 3.47Å; Q144-M148 WeakPolarHBondContact O-CG 3.43Å; Q144-M148 PolarHBondContact O-N 3.44Å; T145-M148 PolarHBondContact O-N 3.49Å; I146-M148 PolarHBondContact O-N 3.44Å; M148-G150 VanDerWaalsContact C-N 3.32Å; M148-V151 WeakPolarHBondContact O-CB 3.37Å; M148-V151 PolarHBondContact O-N 3.01Å; M148-V151 HydrophobicContact SD-CG2 4.32Å; M148-L152 PolarHBondContact O-N 3.24Å; M148-Y360 HydrophobicContact CE-CD1 3.6Å; M148-Y360 HydrophobicContact CE-CE1 3.51Å; M148-Y360 HydrophobicContact CE-CE2 4.49Å; M148-Y360 HydrophobicContact CE-CG 4.11Å; M148-M364 HydrophobicContact CE-CE 3.29Å; M148-M364 HydrophobicContact CG-CE 4.39Å; M148-M476 HydrophobicContact CB-CB 4.13Å
149G94.2Very high90.1Very high10 Ų1026.9 Ų26.910%0.10315%0.152CC..Hα-helixtrans-62.2-40.7169.100000111.5T145 I146 Y147 V151 L152 V153T145-G149 PolarHBondContact O-N 3.45Å; I146-G149 PolarHBondContact O-N 2.96Å; Y147-G149 VanDerWaalsContact C-N 3.34Å; Y147-G149 PolarHBondContact O-N 3.23Å; G149-V151 VanDerWaalsContact C-N 3.35Å; G149-V151 PolarHBondContact O-N 3.41Å; G149-L152 WeakPolarHBondContact O-CB 3.37Å; G149-L152 PolarHBondContact O-N 2.89Å; G149-V153 WeakPolarHBondContact O-CG2 3.17Å; G149-V153 PolarHBondContact O-N 3.3Å
150G94.4Very high89.9Confident0 Ų026.9 Ų26.90%016%0.161CC..Hα-helixtrans-58.9-44.4170.600000112.1I146 Y147 M148 L152 V153 G154 F199 G202 M203I146-G150 PolarHBondContact O-N 3.24Å; Y147-G150 WeakPolarHBondContact O-CA 3.48Å; Y147-G150 PolarHBondContact O-N 2.95Å; Y147-G150 VanDerWaalsContact O-N 3.1Å; M148-G150 VanDerWaalsContact C-N 3.32Å; G150-L152 VanDerWaalsContact C-N 3.35Å; G150-L152 PolarHBondContact O-N 3.41Å; G150-V153 PolarHBondContact O-N 3.45Å; G150-G154 PolarHBondContact O-N 3.33Å; G150-F199 VanDerWaalsContact CA-CD2 3.45Å; G150-G202 VanDerWaalsContact C-C 3.46Å; G150-M203 VanDerWaalsContact O-CA 3.22Å; G150-M203 WeakPolarHBondContact O-CA 3.38Å; G150-M203 VanDerWaalsContact O-CG 3.23Å; G150-M203 WeakPolarHBondContact O-CG 3.49Å; G150-M203 PolarHBondContact O-N 2.98Å
151V92.9Very high90Very high0 Ų027.7 Ų27.70%017%0.167CC..Hα-helixtrans-59-44.2174.9177.40000111.2Y147 M148 G149 A155 G202 L205 S206 R472Y147-V151 HydrophobicContact CD1-CG2 4.33Å; Y147-V151 HydrophobicContact CE1-CG2 3.97Å; Y147-V151 WeakPolarHBondContact O-CG2 3.07Å; Y147-V151 PolarHBondContact O-N 3.02Å; M148-V151 WeakPolarHBondContact O-CB 3.37Å; M148-V151 PolarHBondContact O-N 3.01Å; M148-V151 HydrophobicContact SD-CG2 4.32Å; G149-V151 VanDerWaalsContact C-N 3.35Å; G149-V151 PolarHBondContact O-N 3.41Å; V151-A155 WeakPolarHBondContact O-CB 3.23Å; V151-A155 PolarHBondContact O-N 3.03Å; V151-G202 WeakPolarHBondContact CA-O 3.47Å; V151-G202 WeakPolarHBondContact CG2-O 3.45Å; V151-L205 HydrophobicContact CG2-CD2 4.01Å; V151-S206 WeakPolarHBondContact CA-OG 3.45Å; V151-S206 WeakPolarHBondContact CG1-OG 3.31Å; V151-S206 WeakPolarHBondContact O-CB 3.33Å; V151-S206 PolarHBondContact O-OG 3.27Å; V151-R472 HydrophobicContact CG1-CG 4.45Å
152L92.3Very high89.9Confident26 Ų2627.2 Ų27.214%0.13617%0.165CC..Hα-helixtrans-62-52.5176.3174.265.5000111.9M148 G149 G150 G154 A155 L156 M469 R472 V473 M476M148-L152 PolarHBondContact O-N 3.24Å; G149-L152 WeakPolarHBondContact O-CB 3.37Å; G149-L152 PolarHBondContact O-N 2.89Å; G150-L152 VanDerWaalsContact C-N 3.35Å; G150-L152 PolarHBondContact O-N 3.41Å; L152-G154 VanDerWaalsContact C-N 3.34Å; L152-G154 PolarHBondContact O-N 3Å; L152-A155 PolarHBondContact O-N 3.06Å; L152-L156 PolarHBondContact O-N 2.93Å; L152-M469 HydrophobicContact CD1-CG 3.62Å; L152-R472 HydrophobicContact CB-CB 4.02Å; L152-R472 HydrophobicContact CD1-CB 3.75Å; L152-R472 HydrophobicContact CG-CB 4.48Å; L152-V473 HydrophobicContact CD1-CG2 4.25Å; L152-V473 HydrophobicContact CD2-CG2 4.1Å; L152-M476 HydrophobicContact CD2-SD 4.35Å
153V93.9Very high89.6Confident55 Ų5526.4 Ų26.433%0.33316%0.163SC..Hα-helixtrans-62.5-42.7-179.6173.60000110.8G149 G150 A155 L156 V157 F199 M203G149-V153 WeakPolarHBondContact O-CG2 3.17Å; G149-V153 PolarHBondContact O-N 3.3Å; G150-V153 PolarHBondContact O-N 3.45Å; V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 3.48Å; V153-L156 PolarHBondContact O-N 3.01Å; V153-V157 HydrophobicContact CG1-CG2 4.01Å; V153-V157 WeakPolarHBondContact O-CB 3.44Å; V153-V157 WeakPolarHBondContact O-CG2 3.39Å; V153-V157 PolarHBondContact O-N 2.84Å; V153-F199 HydrophobicContact CB-CZ 4.05Å; V153-F199 HydrophobicContact CG1-CZ 4.23Å; V153-F199 HydrophobicContact CG2-CE2 4.36Å; V153-F199 HydrophobicContact CG2-CZ 4.04Å; V153-M203 HydrophobicContact CG1-CE 4.19Å; V153-M203 HydrophobicContact CG1-SD 4.34Å
154G91.3Very high89.3Confident0 Ų035.7 Ų35.70%020%0.197CC..Hα-helixtrans-61-38176.300000112.8G150 L152 F158G150-G154 PolarHBondContact O-N 3.33Å; L152-G154 VanDerWaalsContact C-N 3.34Å; L152-G154 PolarHBondContact O-N 3Å; G154-F158 WeakPolarHBondContact O-CA 3.42Å; G154-F158 WeakPolarHBondContact O-CB 3.38Å; G154-F158 PolarHBondContact O-N 3.44Å
155A88.6Confident89.1Confident19 Ų1942.1 Ų42.116%0.15722%0.222CC..Hα-helixtrans-64.8-40.6176.800000112.1V151 L152 V153 G159 L210V151-A155 WeakPolarHBondContact O-CB 3.23Å; V151-A155 PolarHBondContact O-N 3.03Å; L152-A155 PolarHBondContact O-N 3.06Å; V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 3.48Å; A155-G159 VanDerWaalsContact O-CA 3.31Å; A155-G159 WeakPolarHBondContact O-CA 3.36Å; A155-G159 PolarHBondContact O-N 3.17Å; A155-L210 HydrophobicContact CB-CD1 4.14Å
156L88.5Confident88.8Confident99 Ų9941.1 Ų41.152%0.51822%0.216SC..Hα-helixtrans-70.3-48.2177.8-66.2174.6000112L152 V153 G160 M469L152-L156 PolarHBondContact O-N 2.93Å; V153-L156 PolarHBondContact O-N 3.01Å; L156-G160 PolarHBondContact O-N 3.03Å; L156-M469 HydrophobicContact CD1-SD 4.42Å; L156-M469 HydrophobicContact CD2-CG 4.29Å; L156-M469 HydrophobicContact CD2-SD 3.83Å
157V90.8Very high88.4Confident60 Ų6039.4 Ų39.436%0.36421%0.206SC..Hα-helixtrans-71.8-56.6-176.3174.60000110.7V153 G159 G160 L161V153-V157 HydrophobicContact CG1-CG2 4.01Å; V153-V157 WeakPolarHBondContact O-CB 3.44Å; V153-V157 WeakPolarHBondContact O-CG2 3.39Å; V153-V157 PolarHBondContact O-N 2.84Å; V157-G159 VanDerWaalsContact C-N 3.33Å; V157-G159 PolarHBondContact O-N 3.31Å; V157-G160 PolarHBondContact O-N 3.31Å; V157-L161 HydrophobicContact CG1-CD1 3.59Å; V157-L161 HydrophobicContact CG1-CG 4.36Å; V157-L161 VanDerWaalsContact O-CB 3.3Å; V157-L161 WeakPolarHBondContact O-CB 3.44Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 3Å
158F87.2Confident88.3Confident13 Ų1343.5 Ų43.56%0.05722%0.221CC..Hα-helixtrans-72.1-27.7-178.3-63.7-48.2000112.9G154 L161 S162 L170 I173 L177 M203G154-F158 WeakPolarHBondContact O-CA 3.42Å; G154-F158 WeakPolarHBondContact O-CB 3.38Å; G154-F158 PolarHBondContact O-N 3.44Å; F158-L161 HydrophobicContact CD1-CD1 4.4Å; F158-S162 WeakPolarHBondContact O-CB 3.44Å; F158-S162 PolarHBondContact O-N 2.6Å; F158-S162 PolarHBondContact O-OG 2.86Å; F158-L170 HydrophobicContact CD1-CD1 3.48Å; F158-L170 VanDerWaalsContact CD1-CD1 3.48Å; F158-L170 HydrophobicContact CE1-CD1 4.07Å; F158-L170 HydrophobicContact CG-CD1 4.41Å; F158-I173 HydrophobicContact CE1-CG2 4.15Å; F158-I173 HydrophobicContact CZ-CG2 4.45Å; F158-L177 HydrophobicContact CE2-CD2 4.07Å; F158-L177 HydrophobicContact CZ-CD2 3.77Å; F158-M203 VanDerWaalsContact CD2-O 3.31Å; F158-M203 WeakPolarHBondContact CD2-O 3.49Å; F158-M203 HydrophobicContact CE2-CB 4.04Å; F158-M203 HydrophobicContact CE2-CE 4.47Å; F158-M203 VanDerWaalsContact CE2-O 3.32Å; F158-M203 WeakPolarHBondContact CE2-O 3.3Å
159G81.3Confident88.2Confident18 Ų1847.5 Ų47.519%0.18624%0.242CC..Hα-helixtrans-58.9-58.9169.200000111.1A155 V157 L161 S162A155-G159 VanDerWaalsContact O-CA 3.31Å; A155-G159 WeakPolarHBondContact O-CA 3.36Å; A155-G159 PolarHBondContact O-N 3.17Å; V157-G159 VanDerWaalsContact C-N 3.33Å; V157-G159 PolarHBondContact O-N 3.31Å; G159-L161 PolarHBondContact O-N 2.59Å; G159-S162 PolarHBondContact O-N 3.09Å; G159-S162 PolarHBondContact O-OG 2.86Å
160G81.3Confident88.1Confident38 Ų3847.2 Ų47.239%0.39224%0.238SC..Hα-helixtrans-64.4-36-179.700000114.1L156 V157L156-G160 PolarHBondContact O-N 3.03Å; V157-G160 PolarHBondContact O-N 3.31Å
161L86.6Confident88Confident56 Ų5647.2 Ų47.229%0.29324%0.238SC..Hα-helixtrans-70.6-33.6176.1-70.4173.6000112.5V157 F158 G159 D163 R164 Y165 L170V157-L161 HydrophobicContact CG1-CD1 3.59Å; V157-L161 HydrophobicContact CG1-CG 4.36Å; V157-L161 VanDerWaalsContact O-CB 3.3Å; V157-L161 WeakPolarHBondContact O-CB 3.44Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 3Å; F158-L161 HydrophobicContact CD1-CD1 4.4Å; G159-L161 PolarHBondContact O-N 2.59Å; L161-D163 VanDerWaalsContact C-N 3.25Å; L161-D163 PolarHBondContact O-N 3.36Å; L161-R164 PolarHBondContact O-N 3.36Å; L161-R164 VanDerWaalsContact O-N 3.15Å; L161-Y165 HydrophobicContact CB-CD2 4.32Å; L161-Y165 HydrophobicContact CD2-CD2 3.67Å; L161-Y165 HydrophobicContact CD2-CE2 3.48Å; L161-Y165 VanDerWaalsContact CD2-CE2 3.48Å; L161-Y165 PolarHBondContact O-N 2.98Å; L161-L170 HydrophobicContact CB-CD1 3.9Å; L161-L170 HydrophobicContact CB-CD2 4.25Å; L161-L170 HydrophobicContact CB-CG 4.17Å; L161-L170 HydrophobicContact CD1-CD1 4.42Å
162S84.6Confident88Confident8 Ų848.3 Ų48.36%0.05624%0.244CC..Hα-helixtrans-63.6-32.5179.573.50000112.8F158 G159 G166 R167 N211F158-S162 WeakPolarHBondContact O-CB 3.44Å; F158-S162 PolarHBondContact O-N 2.6Å; F158-S162 PolarHBondContact O-OG 2.86Å; G159-S162 PolarHBondContact O-N 3.09Å; G159-S162 PolarHBondContact O-OG 2.86Å; S162-G166 CarbonylContact O-C 3.57Å; S162-G166 WeakPolarHBondContact O-CA 3.29Å; S162-G166 PolarHBondContact O-N 3.19Å; S162-G166 VanDerWaalsContact O-N 3.16Å; S162-R167 PolarHBondContact O-NE 3.18Å; S162-N211 WeakPolarHBondContact CB-OD1 3.32Å
163D81.9Confident88.1Confident64 Ų6451 Ų5134%0.34226%0.257SS..Hα-helixtrans-75-29.9176.9-71-27.7000112L161 R167 W280 N284L161-D163 VanDerWaalsContact C-N 3.25Å; L161-D163 PolarHBondContact O-N 3.36Å; D163-R167 IonicContact OD1-CZ 2.72Å; D163-R167 IonicContact OD1-NH2 3.33Å; D163-R167 PolarHBondContact OD1-NH2 3.4Å; D163-W280 PolarHBondContact O-NE1 3.2Å; D163-N284 PolarHBondContact O-ND2 2.76Å; D163-N284 VanDerWaalsContact O-ND2 3.11Å
164R83.1Confident88.2Confident197 Ų19748.4 Ų48.474%0.74324%0.241SC*.Hα-helixtrans-87-44.3-179.6-67.6-176.5-177.4-1711.2114.4L161 W280L161-R164 PolarHBondContact O-N 3.36Å; L161-R164 VanDerWaalsContact O-N 3.15Å; R164-W280 WeakPolarHBondContact O-CZ2 3.37Å
165Y85.9Confident88.3Confident143 Ų14348.4 Ų48.456%0.56124%0.242SC*.Hα-helixtrans-104.3-16.2-171.4-68.5-77.6000113.8L161 W280L161-Y165 HydrophobicContact CB-CD2 4.32Å; L161-Y165 HydrophobicContact CD2-CD2 3.67Å; L161-Y165 HydrophobicContact CD2-CE2 3.48Å; L161-Y165 VanDerWaalsContact CD2-CE2 3.48Å; L161-Y165 PolarHBondContact O-N 2.98Å; Y165-W280 VanDerWaalsContact C-CZ2 3.45Å; Y165-W280 WeakPolarHBondContact O-CH2 3.42Å
166G84.6Confident88.7Confident0 Ų050.8 Ų50.80%025%0.251CS..  trans109.4157.6178.700000112.5S162 L170 E276S162-G166 CarbonylContact O-C 3.57Å; S162-G166 WeakPolarHBondContact O-CA 3.29Å; S162-G166 PolarHBondContact O-N 3.19Å; S162-G166 VanDerWaalsContact O-N 3.16Å; G166-L170 VanDerWaalsContact O-CD2 3.29Å; G166-L170 WeakPolarHBondContact O-CD2 3.29Å; G166-E276 WeakPolarHBondContact CA-OE2 3.31Å
167R87.5Confident89Confident19 Ų1948.5 Ų48.57%0.07224%0.239CC..Hα-helixtrans-83.1-34.2-168.6-67.281.2-161.7-123.8-0.8110.6S162 D163 L171 L215 E218 E276 W280S162-R167 PolarHBondContact O-NE 3.18Å; D163-R167 IonicContact OD1-CZ 2.72Å; D163-R167 IonicContact OD1-NH2 3.33Å; D163-R167 PolarHBondContact OD1-NH2 3.4Å; R167-L171 VanDerWaalsContact O-CB 3.31Å; R167-L171 WeakPolarHBondContact O-CB 3.42Å; R167-L171 PolarHBondContact O-N 3.36Å; R167-L215 HydrophobicContact CB-CD1 4.16Å; R167-L215 HydrophobicContact CB-CD2 3.95Å; R167-L215 HydrophobicContact CB-CG 3.77Å; R167-E218 IonicContact CZ-OE1 2.7Å; R167-E218 IonicContact NH1-OE1 3.64Å; R167-E218 PolarHBondContact NH1-OE1 3.08Å; R167-E218 IonicContact NH1-OE2 3.29Å; R167-E218 PolarHBondContact NH1-OE2 3.16Å; R167-E276 PolarHBondContact N-OE1 3.12Å; R167-E276 PolarHBondContact N-OE2 3.24Å; R167-W280 VanDerWaalsContact NE-CD1 3.34Å; R167-W280 VanDerWaalsContact NH2-CD1 3.31Å
168R90.2Very high89.3Confident89 Ų8945.7 Ų45.734%0.33622%0.222SC..Hα-helixtrans-65-47.7177.1-178.4-165.6175.6-1623.6111.9L170 L171 L172 W272 F274 E276R168-L170 VanDerWaalsContact C-N 3.3Å; R168-L170 PolarHBondContact O-N 3.39Å; R168-L171 PolarHBondContact O-N 3.35Å; R168-L172 HydrophobicContact CG-CD1 4.4Å; R168-L172 WeakPolarHBondContact O-CG 3.31Å; R168-L172 PolarHBondContact O-N 3.33Å; R168-W272 PolarHBondContact NH2-O 3.23Å; R168-F274 WeakPolarHBondContact CD-O 3.11Å; R168-F274 PolarHBondContact NE-O 3.16Å; R168-E276 HydrophobicContact CB-CB 4.43Å; R168-E276 VanDerWaalsContact CB-OE2 3.25Å; R168-E276 WeakPolarHBondContact CB-OE2 3.42Å; R168-E276 PolarHBondContact N-OE1 3.49Å; R168-E276 PolarHBondContact N-OE2 3.43Å; R168-E276 VanDerWaalsContact N-OE2 3.1Å
169I91.2Very high89.7Confident84 Ų8445 Ų4543%0.43122%0.219SC..Hα-helixtrans-61.3-44.5-178.5-64.4-179000110L171 L172 I173I169-L171 VanDerWaalsContact C-N 3.34Å; I169-L171 PolarHBondContact O-N 3.15Å; I169-L172 WeakPolarHBondContact O-CB 3.31Å; I169-L172 PolarHBondContact O-N 3.34Å; I169-I173 HydrophobicContact CG2-CD1 3.87Å; I169-I173 WeakPolarHBondContact O-CG1 3.34Å; I169-I173 PolarHBondContact O-N 2.76Å
170L91.9Very high90.4Very high3 Ų347 Ų472%0.01623%0.228CC..Hα-helixtrans-69.1-33179.6-86.8-59.1000112.3F158 L161 G166 R168 I173 S174F158-L170 HydrophobicContact CD1-CD1 3.48Å; F158-L170 VanDerWaalsContact CD1-CD1 3.48Å; F158-L170 HydrophobicContact CE1-CD1 4.07Å; F158-L170 HydrophobicContact CG-CD1 4.41Å; L161-L170 HydrophobicContact CB-CD1 3.9Å; L161-L170 HydrophobicContact CB-CD2 4.25Å; L161-L170 HydrophobicContact CB-CG 4.17Å; L161-L170 HydrophobicContact CD1-CD1 4.42Å; G166-L170 VanDerWaalsContact O-CD2 3.29Å; G166-L170 WeakPolarHBondContact O-CD2 3.29Å; R168-L170 VanDerWaalsContact C-N 3.3Å; R168-L170 PolarHBondContact O-N 3.39Å; L170-I173 HydrophobicContact CD1-CD1 4.47Å; L170-S174 VanDerWaalsContact O-CB 3.29Å; L170-S174 WeakPolarHBondContact O-CB 2.89Å; L170-S174 PolarHBondContact O-N 3.12Å; L170-S174 PolarHBondContact O-OG 3.44Å
171L91.6Very high91.1Very high1 Ų145.7 Ų45.71%0.00521%0.212CC..Hα-helixtrans-64.3-40.2171.6-171.6145.5000111.8L24 R167 R168 I169 S174 N175 N211 L215 A271 F274L24-L171 HydrophobicContact CD2-CD1 3.7Å; R167-L171 VanDerWaalsContact O-CB 3.31Å; R167-L171 WeakPolarHBondContact O-CB 3.42Å; R167-L171 PolarHBondContact O-N 3.36Å; R168-L171 PolarHBondContact O-N 3.35Å; I169-L171 VanDerWaalsContact C-N 3.34Å; I169-L171 PolarHBondContact O-N 3.15Å; L171-S174 PolarHBondContact O-N 3.04Å; L171-N175 VanDerWaalsContact CD2-ND2 3.28Å; L171-N175 WeakPolarHBondContact CD2-ND2 3.37Å; L171-N175 PolarHBondContact O-N 3.16Å; L171-N175 PolarHBondContact O-ND2 3.23Å; L171-N211 HydrophobicContact CB-CB 4.11Å; L171-N211 HydrophobicContact CD1-CB 4.49Å; L171-L215 HydrophobicContact CD1-CD1 3.82Å; L171-A271 HydrophobicContact CD2-CB 3.42Å; L171-A271 VanDerWaalsContact CD2-CB 3.42Å; L171-F274 HydrophobicContact CD2-CD2 4Å; L171-F274 HydrophobicContact CD2-CE2 4.17Å
172L93.8Very high91.5Very high23 Ų2343 Ų4312%0.1220%0.199CC..Hα-helixtrans-63.5-49.5174.7-74.7165.9000112R168 I169 S174 N175 L176 F268 A271 W272R168-L172 HydrophobicContact CG-CD1 4.4Å; R168-L172 WeakPolarHBondContact O-CG 3.31Å; R168-L172 PolarHBondContact O-N 3.33Å; I169-L172 WeakPolarHBondContact O-CB 3.31Å; I169-L172 PolarHBondContact O-N 3.34Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.28Å; L172-N175 PolarHBondContact O-N 2.92Å; L172-L176 PolarHBondContact O-N 3.24Å; L172-F268 HydrophobicContact CB-CE2 4.29Å; L172-F268 HydrophobicContact CD2-CD2 4.02Å; L172-F268 HydrophobicContact CD2-CE2 3.97Å; L172-F268 WeakPolarHBondContact O-CD2 3.07Å; L172-A271 HydrophobicContact CD2-CB 3.53Å; L172-A271 HydrophobicContact CG-CB 4.28Å; L172-W272 HydrophobicContact CD2-CG 4.24Å
173I95.1Very high92.1Very high82 Ų8243.7 Ų43.742%0.42120%0.202SC..Hα-helixtrans-58.7-43.5177.4-68.2168.9000110.2F158 I169 L170 L176 L177F158-I173 HydrophobicContact CE1-CG2 4.15Å; F158-I173 HydrophobicContact CZ-CG2 4.45Å; I169-I173 HydrophobicContact CG2-CD1 3.87Å; I169-I173 WeakPolarHBondContact O-CG1 3.34Å; I169-I173 PolarHBondContact O-N 2.76Å; L170-I173 HydrophobicContact CD1-CD1 4.47Å; I173-L176 PolarHBondContact O-N 3.45Å; I173-L177 WeakPolarHBondContact O-CB 3.34Å; I173-L177 PolarHBondContact O-N 3.44Å
174S94.7Very high92.7Very high0 Ų042.8 Ų42.80%020%0.2CC..Hα-helixtrans-68.4-39.9-178.4-53.80000112.4L170 L171 L172 L177 M178 A204 G207L170-S174 VanDerWaalsContact O-CB 3.29Å; L170-S174 WeakPolarHBondContact O-CB 2.89Å; L170-S174 PolarHBondContact O-N 3.12Å; L170-S174 PolarHBondContact O-OG 3.44Å; L171-S174 PolarHBondContact O-N 3.04Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.28Å; S174-L177 PolarHBondContact O-N 3.42Å; S174-M178 WeakPolarHBondContact O-CB 3.35Å; S174-M178 PolarHBondContact O-N 3.11Å; S174-A204 WeakPolarHBondContact O-CB 3.46Å; S174-G207 WeakPolarHBondContact OG-CA 3.19Å
175N94.4Very high93.3Very high1 Ų133.4 Ų33.41%0.00517%0.165CC..Hα-helixtrans-63.2-47174.8-83.6-73.4000111.4L171 L172 L177 M178 A179 L208 F267 F268L171-N175 VanDerWaalsContact CD2-ND2 3.28Å; L171-N175 WeakPolarHBondContact CD2-ND2 3.37Å; L171-N175 PolarHBondContact O-N 3.16Å; L171-N175 PolarHBondContact O-ND2 3.23Å; L172-N175 PolarHBondContact O-N 2.92Å; N175-L177 VanDerWaalsContact C-N 3.34Å; N175-L177 PolarHBondContact O-N 3.04Å; N175-M178 PolarHBondContact O-N 3.48Å; N175-A179 WeakPolarHBondContact O-CB 3.42Å; N175-A179 PolarHBondContact O-N 3.08Å; N175-L208 HydrophobicContact CB-CD2 4.2Å; N175-L208 WeakPolarHBondContact ND2-CD2 3.3Å; N175-L208 WeakPolarHBondContact OD1-CD2 3.46Å; N175-F267 WeakPolarHBondContact OD1-CB 3.43Å; N175-F268 HydrophobicContact CB-CB 4.02Å; N175-F268 HydrophobicContact CB-CD2 4.49Å
176L95.8Very high93.6Very high69 Ų6926.7 Ų26.736%0.36114%0.139SC..Hα-helixtrans-63-43.2178.4-175.463000111.3L172 I173 M178 A179 V180 F268L172-L176 PolarHBondContact O-N 3.24Å; I173-L176 PolarHBondContact O-N 3.45Å; L176-M178 VanDerWaalsContact C-N 3.35Å; L176-M178 PolarHBondContact O-N 2.88Å; L176-A179 PolarHBondContact O-N 3.37Å; L176-V180 HydrophobicContact CD1-CG2 3.92Å; L176-V180 HydrophobicContact CG-CG2 4.25Å; L176-V180 WeakPolarHBondContact O-CB 3.13Å; L176-V180 VanDerWaalsContact O-CG2 3.32Å; L176-V180 WeakPolarHBondContact O-CG2 3.39Å; L176-V180 PolarHBondContact O-N 3.17Å; L176-F268 HydrophobicContact CB-CD2 3.82Å; L176-F268 HydrophobicContact CB-CE2 3.94Å; L176-F268 HydrophobicContact CD2-CE2 4.33Å; L176-F268 HydrophobicContact CD2-CZ 4.5Å
177L96.4Very high94.1Very high51 Ų5133.1 Ų33.127%0.26717%0.167SC..Hα-helixtrans-62.1-41.5177.6-176.564.2000111.5F158 I173 S174 N175 S181 M203 A204F158-L177 HydrophobicContact CE2-CD2 4.07Å; F158-L177 HydrophobicContact CZ-CD2 3.77Å; I173-L177 WeakPolarHBondContact O-CB 3.34Å; I173-L177 PolarHBondContact O-N 3.44Å; S174-L177 PolarHBondContact O-N 3.42Å; N175-L177 VanDerWaalsContact C-N 3.34Å; N175-L177 PolarHBondContact O-N 3.04Å; L177-S181 WeakPolarHBondContact CD1-OG 3.26Å; L177-S181 WeakPolarHBondContact O-CB 3.1Å; L177-S181 PolarHBondContact O-N 3.45Å; L177-S181 PolarHBondContact O-OG 3.48Å; L177-M203 HydrophobicContact CD2-CB 4.33Å; L177-A204 HydrophobicContact CB-CB 4.08Å; L177-A204 HydrophobicContact CD2-CB 4.1Å; L177-A204 HydrophobicContact CG-CB 4.03Å
178M95.6Very high94.3Very high0 Ų032.3 Ų32.30%016%0.164CC..Hα-helixtrans-62.1-49.5174.7-173.365.180.600111.1H34 S174 N175 L176 G182 C201 A204 L205 L208 F264H34-M178 HydrophobicContact CB-CE 4.48Å; H34-M178 HydrophobicContact CB-SD 4.43Å; S174-M178 WeakPolarHBondContact O-CB 3.35Å; S174-M178 PolarHBondContact O-N 3.11Å; N175-M178 PolarHBondContact O-N 3.48Å; L176-M178 VanDerWaalsContact C-N 3.35Å; L176-M178 PolarHBondContact O-N 2.88Å; M178-G182 WeakPolarHBondContact O-CA 3.26Å; M178-G182 PolarHBondContact O-N 3.38Å; M178-C201 VanDerWaalsContact CE-O 3.23Å; M178-C201 WeakPolarHBondContact CE-O 3.48Å; M178-C201 HydrophobicContact SD-CB 3.85Å; M178-A204 HydrophobicContact CB-CB 3.76Å; M178-A204 HydrophobicContact CE-CB 3.93Å; M178-A204 HydrophobicContact SD-CB 4.3Å; M178-L205 HydrophobicContact CE-CB 3.86Å; M178-L205 HydrophobicContact CE-CD1 4.13Å; M178-L208 HydrophobicContact CB-CD1 4.15Å; M178-L208 HydrophobicContact CE-CD1 4.04Å; M178-L208 HydrophobicContact CG-CD1 4.44Å; M178-F264 HydrophobicContact CB-CB 4.47Å; M178-F264 HydrophobicContact CB-CD1 4.16Å; M178-F264 HydrophobicContact CB-CG 4.22Å; M178-F264 HydrophobicContact CG-CB 4.42Å; M178-F264 HydrophobicContact CG-CD1 3.9Å; M178-F264 HydrophobicContact CG-CD2 3.89Å; M178-F264 HydrophobicContact CG-CE1 4.12Å; M178-F264 HydrophobicContact CG-CE2 4.12Å; M178-F264 HydrophobicContact CG-CG 3.79Å; M178-F264 HydrophobicContact CG-CZ 4.22Å
179A95.7Very high94.3Very high0 Ų032.8 Ų32.80%018%0.179CC..Hα-helixtrans-62.6-49.1-176.700000112N175 L176 T183 F264 Y265N175-A179 WeakPolarHBondContact O-CB 3.42Å; N175-A179 PolarHBondContact O-N 3.08Å; L176-A179 PolarHBondContact O-N 3.37Å; A179-T183 WeakPolarHBondContact O-CB 3.37Å; A179-T183 PolarHBondContact O-N 3.43Å; A179-T183 PolarHBondContact O-OG1 2.78Å; A179-F264 HydrophobicContact CB-CB 3.83Å; A179-Y265 HydrophobicContact CB-CD1 3.86Å; A179-Y265 HydrophobicContact CB-CD2 3.83Å; A179-Y265 HydrophobicContact CB-CE1 3.81Å; A179-Y265 HydrophobicContact CB-CE2 3.78Å; A179-Y265 HydrophobicContact CB-CG 3.86Å
180V96.9Very high94.4Very high60 Ų6031 Ų3136%0.36417%0.174SC..Hα-helixtrans-67.8-51180174.60000110.6L176 G182 T183 C184 Y265L176-V180 HydrophobicContact CD1-CG2 3.92Å; L176-V180 HydrophobicContact CG-CG2 4.25Å; L176-V180 WeakPolarHBondContact O-CB 3.13Å; L176-V180 VanDerWaalsContact O-CG2 3.32Å; L176-V180 WeakPolarHBondContact O-CG2 3.39Å; L176-V180 PolarHBondContact O-N 3.17Å; V180-G182 VanDerWaalsContact C-N 3.33Å; V180-G182 PolarHBondContact O-N 2.97Å; V180-T183 PolarHBondContact O-N 3.01Å; V180-C184 WeakPolarHBondContact O-CB 3.31Å; V180-C184 PolarHBondContact O-N 2.79Å; V180-C184 PolarHBondContact O-SG 3.33Å; V180-Y265 HydrophobicContact CG2-CE1 4.41Å
181S96.6Very high94.3Very high9 Ų931.9 Ų31.96%0.06318%0.178CC..Hα-helixtrans-64.2-39.8-178.2-52.40000111.5L177 C184 A185 F197L177-S181 WeakPolarHBondContact CD1-OG 3.26Å; L177-S181 WeakPolarHBondContact O-CB 3.1Å; L177-S181 PolarHBondContact O-N 3.45Å; L177-S181 PolarHBondContact O-OG 3.48Å; S181-C184 PolarHBondContact O-N 3.44Å; S181-A185 WeakPolarHBondContact O-CB 3.29Å; S181-A185 PolarHBondContact O-N 3.49Å; S181-F197 WeakPolarHBondContact CB-O 3.26Å; S181-F197 WeakPolarHBondContact O-CB 3.36Å
182G94.6Very high94.3Very high1 Ų136.2 Ų36.21%0.0121%0.208CC..Hα-helixtrans-65-42.3177.500000112.6M178 V180 A185 A186 C201 T257 S261M178-G182 WeakPolarHBondContact O-CA 3.26Å; M178-G182 PolarHBondContact O-N 3.38Å; V180-G182 VanDerWaalsContact C-N 3.33Å; V180-G182 PolarHBondContact O-N 2.97Å; G182-A185 WeakPolarHBondContact O-CB 3.43Å; G182-A185 PolarHBondContact O-N 3.07Å; G182-A186 PolarHBondContact O-N 3.45Å; G182-C201 PolarHBondContact N-SG 3.15Å; G182-C201 VanDerWaalsContact N-SG 3.38Å; G182-T257 WeakPolarHBondContact O-CG2 3.47Å; G182-S261 VanDerWaalsContact CA-OG 3.27Å; G182-S261 WeakPolarHBondContact CA-OG 3.22Å
183T95.8Very high94.3Very high22 Ų2237.5 Ų37.514%0.13522%0.217CC..Hα-helixtrans-65.1-46.1175.3-54.70000111.1A179 V180 A185 A186 F187A179-T183 WeakPolarHBondContact O-CB 3.37Å; A179-T183 PolarHBondContact O-N 3.43Å; A179-T183 PolarHBondContact O-OG1 2.78Å; V180-T183 PolarHBondContact O-N 3.01Å; T183-A185 VanDerWaalsContact C-N 3.28Å; T183-A185 PolarHBondContact O-N 3.45Å; T183-A186 WeakPolarHBondContact O-CB 3.16Å; T183-A186 PolarHBondContact O-N 3.23Å; T183-A186 VanDerWaalsContact O-N 3.12Å; T183-F187 HydrophobicContact CG2-CD2 4.07Å; T183-F187 HydrophobicContact CG2-CE2 3.81Å; T183-F187 WeakPolarHBondContact O-CD2 3.41Å; T183-F187 PolarHBondContact O-N 2.95Å
184C96.1Very high94.3Very high44 Ų4433.6 Ų33.630%0.29720%0.197SC..Hα-helixtrans-63.6-32.8176.1-67.50000112.7V180 S181 A186 F187 S188 F197V180-C184 WeakPolarHBondContact O-CB 3.31Å; V180-C184 PolarHBondContact O-N 2.79Å; V180-C184 PolarHBondContact O-SG 3.33Å; S181-C184 PolarHBondContact O-N 3.44Å; C184-A186 VanDerWaalsContact C-N 3.33Å; C184-A186 PolarHBondContact O-N 3.15Å; C184-F187 PolarHBondContact O-N 3.16Å; C184-S188 PolarHBondContact O-N 3.39Å; C184-S188 VanDerWaalsContact O-N 3.13Å; C184-F197 HydrophobicContact CB-CD1 3.58Å; C184-F197 HydrophobicContact CB-CD2 3.68Å; C184-F197 HydrophobicContact CB-CE1 3.49Å; C184-F197 VanDerWaalsContact CB-CE1 3.49Å; C184-F197 HydrophobicContact CB-CE2 3.57Å; C184-F197 HydrophobicContact CB-CG 3.7Å; C184-F197 HydrophobicContact CB-CZ 3.5Å; C184-F197 VanDerWaalsContact CB-CZ 3.5Å
185A94Very high94.2Very high0 Ų034 Ų340%020%0.2CC..Hα-helixtrans-63.5-38.1173.400000111.7S181 G182 T183 F187 S188 F194 F197 T257S181-A185 WeakPolarHBondContact O-CB 3.29Å; S181-A185 PolarHBondContact O-N 3.49Å; G182-A185 WeakPolarHBondContact O-CB 3.43Å; G182-A185 PolarHBondContact O-N 3.07Å; T183-A185 VanDerWaalsContact C-N 3.28Å; T183-A185 PolarHBondContact O-N 3.45Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 3.09Å; A185-S188 WeakPolarHBondContact O-CB 3.28Å; A185-S188 PolarHBondContact O-N 2.76Å; A185-S188 PolarHBondContact O-OG 3.19Å; A185-F194 HydrophobicContact CB-CD2 4.08Å; A185-F194 HydrophobicContact CB-CE2 4.13Å; A185-F197 HydrophobicContact CB-CB 3.84Å; A185-T257 HydrophobicContact CB-CG2 4.36Å
186A93.4Very high94.3Very high2 Ų239.4 Ų39.42%0.01723%0.228CC..Hα-helixtrans-66-32.4177.100000113.2G182 T183 C184 R254 T257 L258G182-A186 PolarHBondContact O-N 3.45Å; T183-A186 WeakPolarHBondContact O-CB 3.16Å; T183-A186 PolarHBondContact O-N 3.23Å; T183-A186 VanDerWaalsContact O-N 3.12Å; C184-A186 VanDerWaalsContact C-N 3.33Å; C184-A186 PolarHBondContact O-N 3.15Å; A186-R254 WeakPolarHBondContact CB-O 3.44Å; A186-R254 WeakPolarHBondContact O-CG 3Å; A186-T257 HydrophobicContact CB-CG2 4.08Å; A186-L258 HydrophobicContact CB-CB 4.21Å
187F93.8Very high94.3Very high136 Ų13639 Ų3960%0.59622%0.223SC*.THydrogen-bonded Turntrans-95.18.7178.1-65.1-70.4000114T183 C184 A185 L258T183-F187 HydrophobicContact CG2-CD2 4.07Å; T183-F187 HydrophobicContact CG2-CE2 3.81Å; T183-F187 WeakPolarHBondContact O-CD2 3.41Å; T183-F187 PolarHBondContact O-N 2.95Å; C184-F187 PolarHBondContact O-N 3.16Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 3.09Å; F187-L258 HydrophobicContact CE2-CD1 3.87Å; F187-L258 HydrophobicContact CZ-CD1 3.84Å
188S93.4Very high94.3Very high1 Ų136.7 Ų36.71%0.00721%0.211CC..  trans-62.6131.1-176.657.60000111.6C184 A185 F194C184-S188 PolarHBondContact O-N 3.39Å; C184-S188 VanDerWaalsContact O-N 3.13Å; A185-S188 WeakPolarHBondContact O-CB 3.28Å; A185-S188 PolarHBondContact O-N 2.76Å; A185-S188 PolarHBondContact O-OG 3.19Å; S188-F194 WeakPolarHBondContact OG-CB 3.49Å
189P90.3Very high94.3Very high100 Ų10039.7 Ų39.765%0.64922%0.224SC*.SBendtrans-82.8-23.4179.131.2-34.2000112.5W130W130-P189 PolarHBondContact NE1-O 2.97Å
190S92.5Very high94.3Very high47 Ų4740.1 Ų40.133%0.32923%0.229SC..SBendtrans-137.3155.2-176.469.30000112.3S192 V193 F194S190-S192 VanDerWaalsContact C-N 3.3Å; S190-S192 PolarHBondContact O-N 2.93Å; S190-V193 PolarHBondContact O-N 3Å; S190-V193 WeakPolarHBondContact OG-CG2 3.35Å; S190-F194 PolarHBondContact O-N 2.99Å
191F89.8Confident94.3Very high21 Ų2137.3 Ų37.39%0.09221%0.212CC..Hα-helixtrans-59.6-36.2-179.6-177-105.6000113.5I126 W130 L132 L139 F194 C195I126-F191 HydrophobicContact CG2-CD2 4.3Å; I126-F191 HydrophobicContact CG2-CE2 4.31Å; W130-F191 HydrophobicContact CD2-CB 4.05Å; W130-F191 HydrophobicContact CE3-CB 3.71Å; W130-F191 AromaticContact CE3-CD2 3.62Å; W130-F191 HydrophobicContact CE3-CD2 3.62Å; W130-F191 HydrophobicContact CE3-CG 4.16Å; W130-F191 HydrophobicContact CZ3-CB 4.15Å; W130-F191 AromaticContact CZ3-CD2 3.73Å; W130-F191 HydrophobicContact CZ3-CD2 3.73Å; W130-F191 HydrophobicContact CZ3-CG 4.45Å; L132-F191 HydrophobicContact CD1-CD2 3.44Å; L132-F191 VanDerWaalsContact CD1-CD2 3.44Å; L132-F191 HydrophobicContact CD1-CE2 3.69Å; L132-F191 HydrophobicContact CD1-CG 4.01Å; L132-F191 HydrophobicContact CD1-CZ 4.46Å; L132-F191 HydrophobicContact CD2-CG 4.47Å; L139-F191 HydrophobicContact CB-CD1 4.39Å; L139-F191 HydrophobicContact CB-CE1 3.75Å; L139-F191 HydrophobicContact CB-CZ 4.05Å; L139-F191 HydrophobicContact CD2-CD1 3.95Å; L139-F191 HydrophobicContact CD2-CE1 3.62Å; L139-F191 HydrophobicContact CG-CE1 4.28Å; L139-F191 WeakPolarHBondContact O-CZ 3.45Å; F191-F194 HydrophobicContact CD2-CD1 4.41Å; F191-F194 HydrophobicContact CE2-CD1 4.36Å; F191-F194 WeakPolarHBondContact O-CB 3.35Å; F191-F194 PolarHBondContact O-N 3.17Å; F191-C195 WeakPolarHBondContact CE1-SG 3.5Å; F191-C195 WeakPolarHBondContact CZ-SG 3.5Å; F191-C195 PolarHBondContact O-N 3.08Å; F191-C195 PolarHBondContact O-SG 3.02Å
192S91.9Very high94.2Very high92 Ų9236.9 Ų36.964%0.64321%0.209SC*.Hα-helixtrans-66.5-41.9178.2-53.20000112S190 F194 C195 L196S190-S192 VanDerWaalsContact C-N 3.3Å; S190-S192 PolarHBondContact O-N 2.93Å; S192-F194 VanDerWaalsContact C-N 3.34Å; S192-C195 PolarHBondContact O-N 3.3Å; S192-L196 PolarHBondContact O-N 3.3Å
193V94.4Very high94.2Very high49 Ų4938.4 Ų38.430%0.29722%0.216SC..Hα-helixtrans-67.1-39.7176.4174.30000110.3S190 C195 L196 F197S190-V193 PolarHBondContact O-N 3Å; S190-V193 WeakPolarHBondContact OG-CG2 3.35Å; V193-C195 PolarHBondContact O-N 3.19Å; V193-L196 PolarHBondContact O-N 3.44Å; V193-F197 HydrophobicContact CG1-CD2 3.7Å; V193-F197 HydrophobicContact CG1-CE2 3.32Å; V193-F197 HydrophobicContact CG1-CZ 4.36Å; V193-F197 WeakPolarHBondContact O-CD2 3.49Å; V193-F197 PolarHBondContact O-N 3.02Å; V193-F197 VanDerWaalsContact O-N 3.1Å
194F93.6Very high94.2Very high1 Ų137.3 Ų37.30%0.00421%0.21CC..Hα-helixtrans-56.9-47.1171.3176.6-97.7000112.3I126 W130 A185 S188 S190 F191 S192 L196 F197 R198 W253I126-F194 HydrophobicContact CD1-CD1 4.02Å; I126-F194 HydrophobicContact CD1-CD2 4.03Å; I126-F194 HydrophobicContact CD1-CE1 3.4Å; I126-F194 VanDerWaalsContact CD1-CE1 3.4Å; I126-F194 HydrophobicContact CD1-CE2 3.42Å; I126-F194 VanDerWaalsContact CD1-CE2 3.42Å; I126-F194 HydrophobicContact CD1-CG 4.3Å; I126-F194 HydrophobicContact CD1-CZ 3.05Å; I126-F194 HydrophobicContact CG1-CZ 4.48Å; W130-F194 HydrophobicContact CH2-CB 3.52Å; W130-F194 HydrophobicContact CH2-CD2 4.12Å; W130-F194 AromaticContact CH2-CG 3.83Å; W130-F194 HydrophobicContact CH2-CG 3.83Å; W130-F194 HydrophobicContact CZ2-CB 4.49Å; W130-F194 HydrophobicContact CZ3-CB 3.89Å; W130-F194 HydrophobicContact CZ3-CD1 4.26Å; W130-F194 HydrophobicContact CZ3-CD2 4.47Å; W130-F194 AromaticContact CZ3-CG 3.95Å; W130-F194 HydrophobicContact CZ3-CG 3.95Å; A185-F194 HydrophobicContact CB-CD2 4.08Å; A185-F194 HydrophobicContact CB-CE2 4.13Å; S188-F194 WeakPolarHBondContact OG-CB 3.49Å; S190-F194 PolarHBondContact O-N 2.99Å; F191-F194 HydrophobicContact CD2-CD1 4.41Å; F191-F194 HydrophobicContact CE2-CD1 4.36Å; F191-F194 WeakPolarHBondContact O-CB 3.35Å; F191-F194 PolarHBondContact O-N 3.17Å; S192-F194 VanDerWaalsContact C-N 3.34Å; F194-L196 VanDerWaalsContact C-N 3.34Å; F194-L196 PolarHBondContact O-N 3.47Å; F194-F197 PolarHBondContact O-N 3.42Å; F194-R198 HydrophobicContact CD1-CG 4.11Å; F194-R198 HydrophobicContact CD2-CG 4.43Å; F194-R198 HydrophobicContact CE1-CG 3.55Å; F194-R198 HydrophobicContact CE2-CG 3.92Å; F194-R198 HydrophobicContact CZ-CG 3.44Å; F194-R198 VanDerWaalsContact CZ-CG 3.44Å; F194-R198 VanDerWaalsContact CZ-NE 3.33Å; F194-R198 WeakPolarHBondContact O-CB 3.47Å; F194-R198 WeakPolarHBondContact O-CG 3.31Å; F194-R198 PolarHBondContact O-N 2.9Å; F194-W253 HydrophobicContact CD2-CZ3 4.23Å; F194-W253 HydrophobicContact CE2-CZ3 4.17Å
195C94.1Very high94.1Very high8 Ų835.5 Ų35.55%0.05420%0.197CC..Hα-helixtrans-62-40.4178.6-72.30000112.4I146 F191 S192 V193 R198 F199I146-C195 HydrophobicContact CD1-CB 3.91Å; I146-C195 HydrophobicContact CG2-CB 4.33Å; F191-C195 WeakPolarHBondContact CE1-SG 3.5Å; F191-C195 WeakPolarHBondContact CZ-SG 3.5Å; F191-C195 PolarHBondContact O-N 3.08Å; F191-C195 PolarHBondContact O-SG 3.02Å; S192-C195 PolarHBondContact O-N 3.3Å; V193-C195 PolarHBondContact O-N 3.19Å; C195-R198 PolarHBondContact O-N 3.34Å; C195-F199 WeakPolarHBondContact O-CB 3.3Å; C195-F199 PolarHBondContact O-N 3.4Å
196L96.3Very high93.9Very high115 Ų11535.7 Ų35.760%0.60220%0.198SC*.Hα-helixtrans-60.6-47.1175.9179.364.4000111.7S192 V193 F194 F199 G200S192-L196 PolarHBondContact O-N 3.3Å; V193-L196 PolarHBondContact O-N 3.44Å; F194-L196 VanDerWaalsContact C-N 3.34Å; F194-L196 PolarHBondContact O-N 3.47Å; L196-F199 WeakPolarHBondContact O-CB 3.45Å; L196-F199 PolarHBondContact O-N 2.97Å; L196-G200 PolarHBondContact O-N 3.39Å; L196-G200 VanDerWaalsContact O-N 3.14Å
197F96.3Very high93.7Very high59 Ų5935.6 Ų35.626%0.25920%0.197SC..Hα-helixtrans-69.7-35.2177.9-70.8-53.3000112.6S181 C184 A185 V193 F194 F199 G200 C201S181-F197 WeakPolarHBondContact CB-O 3.26Å; S181-F197 WeakPolarHBondContact O-CB 3.36Å; C184-F197 HydrophobicContact CB-CD1 3.58Å; C184-F197 HydrophobicContact CB-CD2 3.68Å; C184-F197 HydrophobicContact CB-CE1 3.49Å; C184-F197 VanDerWaalsContact CB-CE1 3.49Å; C184-F197 HydrophobicContact CB-CE2 3.57Å; C184-F197 HydrophobicContact CB-CG 3.7Å; C184-F197 HydrophobicContact CB-CZ 3.5Å; C184-F197 VanDerWaalsContact CB-CZ 3.5Å; A185-F197 HydrophobicContact CB-CB 3.84Å; V193-F197 HydrophobicContact CG1-CD2 3.7Å; V193-F197 HydrophobicContact CG1-CE2 3.32Å; V193-F197 HydrophobicContact CG1-CZ 4.36Å; V193-F197 WeakPolarHBondContact O-CD2 3.49Å; V193-F197 PolarHBondContact O-N 3.02Å; V193-F197 VanDerWaalsContact O-N 3.1Å; F194-F197 PolarHBondContact O-N 3.42Å; F197-F199 VanDerWaalsContact C-N 3.34Å; F197-G200 PolarHBondContact O-N 3.4Å; F197-C201 PolarHBondContact O-N 2.94Å; F197-C201 PolarHBondContact O-SG 3.01Å
198R94.4Very high93.6Very high4 Ų429.1 Ų29.12%0.01517%0.169CC..Hα-helixtrans-64.5-36.9171.5-79.7-60.4-165.2954.2112.2Y147 F194 C195 G200 C201 G202Y147-R198 HydrophobicContact CD2-CB 4.42Å; Y147-R198 VanDerWaalsContact CD2-O 3.26Å; Y147-R198 WeakPolarHBondContact CD2-O 3.4Å; F194-R198 HydrophobicContact CD1-CG 4.11Å; F194-R198 HydrophobicContact CD2-CG 4.43Å; F194-R198 HydrophobicContact CE1-CG 3.55Å; F194-R198 HydrophobicContact CE2-CG 3.92Å; F194-R198 HydrophobicContact CZ-CG 3.44Å; F194-R198 VanDerWaalsContact CZ-CG 3.44Å; F194-R198 VanDerWaalsContact CZ-NE 3.33Å; F194-R198 WeakPolarHBondContact O-CB 3.47Å; F194-R198 WeakPolarHBondContact O-CG 3.31Å; F194-R198 PolarHBondContact O-N 2.9Å; C195-R198 PolarHBondContact O-N 3.34Å; R198-G200 VanDerWaalsContact C-N 3.32Å; R198-G200 PolarHBondContact O-N 3.5Å; R198-C201 WeakPolarHBondContact O-CB 3.19Å; R198-C201 PolarHBondContact O-N 2.75Å; R198-G202 PolarHBondContact O-N 3.33Å
199F96.5Very high93.3Very high62 Ų6230.3 Ų30.327%0.27218%0.181SC..Hα-helixtrans-58.1-45.6171179.7-92.6000111I146 G150 V153 C195 L196 F197 C201 G202 M203I146-F199 HydrophobicContact CG2-CB 3.81Å; I146-F199 HydrophobicContact CG2-CD2 4.15Å; I146-F199 HydrophobicContact CG2-CG 4.46Å; I146-F199 WeakPolarHBondContact O-CD2 3.09Å; G150-F199 VanDerWaalsContact CA-CD2 3.45Å; V153-F199 HydrophobicContact CB-CZ 4.05Å; V153-F199 HydrophobicContact CG1-CZ 4.23Å; V153-F199 HydrophobicContact CG2-CE2 4.36Å; V153-F199 HydrophobicContact CG2-CZ 4.04Å; C195-F199 WeakPolarHBondContact O-CB 3.3Å; C195-F199 PolarHBondContact O-N 3.4Å; L196-F199 WeakPolarHBondContact O-CB 3.45Å; L196-F199 PolarHBondContact O-N 2.97Å; F197-F199 VanDerWaalsContact C-N 3.34Å; F199-C201 PolarHBondContact O-N 2.68Å; F199-G202 PolarHBondContact O-N 2.99Å; F199-G202 VanDerWaalsContact O-N 3.14Å; F199-M203 HydrophobicContact CD1-CG 4.3Å; F199-M203 HydrophobicContact CD1-SD 3.95Å; F199-M203 HydrophobicContact CE1-CG 3.95Å; F199-M203 HydrophobicContact CE1-SD 3.36Å; F199-M203 WeakPolarHBondContact CE1-SD 3.41Å; F199-M203 HydrophobicContact CZ-CG 4.35Å; F199-M203 HydrophobicContact CZ-SD 4.1Å; F199-M203 PolarHBondContact O-N 3.32Å
200G96.6Very high93Very high10 Ų1028.5 Ų28.510%0.10317%0.165CC..Hα-helixtrans-59.3-42.1173.500000113.4L196 F197 R198 G202 M203 A204L196-G200 PolarHBondContact O-N 3.39Å; L196-G200 VanDerWaalsContact O-N 3.14Å; F197-G200 PolarHBondContact O-N 3.4Å; R198-G200 VanDerWaalsContact C-N 3.32Å; R198-G200 PolarHBondContact O-N 3.5Å; G200-G202 VanDerWaalsContact C-N 3.33Å; G200-G202 PolarHBondContact O-N 2.99Å; G200-M203 PolarHBondContact O-N 3.37Å; G200-A204 WeakPolarHBondContact O-CB 3.3Å; G200-A204 PolarHBondContact O-N 3.38Å
201C95.8Very high92.8Very high0 Ų026.2 Ų26.20%015%0.15CC..Hα-helixtrans-61.4-41.3173.3-61.60000111.8Y147 M178 G182 F197 R198 F199 A204 L205Y147-C201 HydrophobicContact CE2-CB 4.06Å; M178-C201 VanDerWaalsContact CE-O 3.23Å; M178-C201 WeakPolarHBondContact CE-O 3.48Å; M178-C201 HydrophobicContact SD-CB 3.85Å; G182-C201 PolarHBondContact N-SG 3.15Å; G182-C201 VanDerWaalsContact N-SG 3.38Å; F197-C201 PolarHBondContact O-N 2.94Å; F197-C201 PolarHBondContact O-SG 3.01Å; R198-C201 WeakPolarHBondContact O-CB 3.19Å; R198-C201 PolarHBondContact O-N 2.75Å; F199-C201 PolarHBondContact O-N 2.68Å; C201-A204 PolarHBondContact O-N 3.01Å; C201-L205 PolarHBondContact O-N 3.16Å
202G94.8Very high92.8Very high0 Ų025.3 Ų25.30%015%0.146CC..Hα-helixtrans-61.3-45.9175.500000111.8G150 V151 R198 F199 G200 A204 L205 S206G150-G202 VanDerWaalsContact C-C 3.46Å; V151-G202 WeakPolarHBondContact CA-O 3.47Å; V151-G202 WeakPolarHBondContact CG2-O 3.45Å; R198-G202 PolarHBondContact O-N 3.33Å; F199-G202 PolarHBondContact O-N 2.99Å; F199-G202 VanDerWaalsContact O-N 3.14Å; G200-G202 VanDerWaalsContact C-N 3.33Å; G200-G202 PolarHBondContact O-N 2.99Å; G202-A204 VanDerWaalsContact C-N 3.33Å; G202-A204 PolarHBondContact O-N 2.53Å; G202-L205 WeakPolarHBondContact O-CB 3.43Å; G202-L205 PolarHBondContact O-N 3.16Å; G202-S206 PolarHBondContact O-N 3.23Å
203M94.9Very high92.4Very high33 Ų3326.1 Ų26.116%0.16314%0.138CC..Hα-helixtrans-58.1-47.7174.9-71.3-176.665.900111.4G150 V153 F158 L177 F199 G200 L205 S206 G207G150-M203 VanDerWaalsContact O-CA 3.22Å; G150-M203 WeakPolarHBondContact O-CA 3.38Å; G150-M203 VanDerWaalsContact O-CG 3.23Å; G150-M203 WeakPolarHBondContact O-CG 3.49Å; G150-M203 PolarHBondContact O-N 2.98Å; V153-M203 HydrophobicContact CG1-CE 4.19Å; V153-M203 HydrophobicContact CG1-SD 4.34Å; F158-M203 VanDerWaalsContact CD2-O 3.31Å; F158-M203 WeakPolarHBondContact CD2-O 3.49Å; F158-M203 HydrophobicContact CE2-CB 4.04Å; F158-M203 HydrophobicContact CE2-CE 4.47Å; F158-M203 VanDerWaalsContact CE2-O 3.32Å; F158-M203 WeakPolarHBondContact CE2-O 3.3Å; L177-M203 HydrophobicContact CD2-CB 4.33Å; F199-M203 HydrophobicContact CD1-CG 4.3Å; F199-M203 HydrophobicContact CD1-SD 3.95Å; F199-M203 HydrophobicContact CE1-CG 3.95Å; F199-M203 HydrophobicContact CE1-SD 3.36Å; F199-M203 WeakPolarHBondContact CE1-SD 3.41Å; F199-M203 HydrophobicContact CZ-CG 4.35Å; F199-M203 HydrophobicContact CZ-SD 4.1Å; F199-M203 PolarHBondContact O-N 3.32Å; G200-M203 PolarHBondContact O-N 3.37Å; M203-L205 VanDerWaalsContact C-N 3.33Å; M203-L205 PolarHBondContact O-N 3.15Å; M203-S206 PolarHBondContact O-N 3.32Å; M203-G207 PolarHBondContact O-N 3.06Å; M203-G207 VanDerWaalsContact O-N 3.11Å
204A95.4Very high91.9Very high0 Ų025.7 Ų25.70%014%0.137CC..Hα-helixtrans-61.1-38.6178.700000112.6S174 L177 M178 G200 C201 G202 S206 G207 L208S174-A204 WeakPolarHBondContact O-CB 3.46Å; L177-A204 HydrophobicContact CB-CB 4.08Å; L177-A204 HydrophobicContact CD2-CB 4.1Å; L177-A204 HydrophobicContact CG-CB 4.03Å; M178-A204 HydrophobicContact CB-CB 3.76Å; M178-A204 HydrophobicContact CE-CB 3.93Å; M178-A204 HydrophobicContact SD-CB 4.3Å; G200-A204 WeakPolarHBondContact O-CB 3.3Å; G200-A204 PolarHBondContact O-N 3.38Å; C201-A204 PolarHBondContact O-N 3.01Å; G202-A204 VanDerWaalsContact C-N 3.33Å; G202-A204 PolarHBondContact O-N 2.53Å; A204-S206 VanDerWaalsContact C-N 3.35Å; A204-S206 PolarHBondContact O-N 3.01Å; A204-G207 PolarHBondContact O-N 3.25Å; A204-L208 WeakPolarHBondContact O-CB 3.4Å; A204-L208 VanDerWaalsContact O-CG 3.28Å; A204-L208 WeakPolarHBondContact O-CG 3.49Å; A204-L208 PolarHBondContact O-N 3.31Å
205L93.5Very high91.5Very high6 Ų625.7 Ų25.73%0.03114%0.137CC..Hα-helixtrans-56.8-48.4177-172.383.2000111.2M31 N35 Y147 V151 M178 C201 G202 M203 L208 G209M31-L205 HydrophobicContact CB-CD1 3.75Å; M31-L205 HydrophobicContact CE-CD1 3.75Å; M31-L205 HydrophobicContact CE-CG 3.92Å; M31-L205 WeakPolarHBondContact CE-O 3.11Å; M31-L205 HydrophobicContact CG-CD1 3.97Å; M31-L205 WeakPolarHBondContact O-CD1 3.33Å; N35-L205 HydrophobicContact CB-CD2 4.18Å; Y147-L205 WeakPolarHBondContact OH-CD2 3.2Å; V151-L205 HydrophobicContact CG2-CD2 4.01Å; M178-L205 HydrophobicContact CE-CB 3.86Å; M178-L205 HydrophobicContact CE-CD1 4.13Å; C201-L205 PolarHBondContact O-N 3.16Å; G202-L205 WeakPolarHBondContact O-CB 3.43Å; G202-L205 PolarHBondContact O-N 3.16Å; M203-L205 VanDerWaalsContact C-N 3.33Å; M203-L205 PolarHBondContact O-N 3.15Å; L205-L208 PolarHBondContact O-N 3.16Å; L205-G209 PolarHBondContact O-N 3.36Å
206S90.5Very high91.1Very high4 Ų425.4 Ų25.43%0.02814%0.135CC..Hα-helixtrans-64.8-43.4178.2-78.70000112.2V151 G202 M203 A204 L208 G209 L210V151-S206 WeakPolarHBondContact CA-OG 3.45Å; V151-S206 WeakPolarHBondContact CG1-OG 3.31Å; V151-S206 WeakPolarHBondContact O-CB 3.33Å; V151-S206 PolarHBondContact O-OG 3.27Å; G202-S206 PolarHBondContact O-N 3.23Å; M203-S206 PolarHBondContact O-N 3.32Å; A204-S206 VanDerWaalsContact C-N 3.35Å; A204-S206 PolarHBondContact O-N 3.01Å; S206-L208 PolarHBondContact O-N 3.16Å; S206-G209 PolarHBondContact O-N 3.36Å; S206-L210 WeakPolarHBondContact O-CB 3.44Å; S206-L210 VanDerWaalsContact O-CG 3.3Å; S206-L210 WeakPolarHBondContact O-CG 3.21Å; S206-L210 PolarHBondContact O-N 3.16Å
207G88.7Confident90.4Very high0 Ų021.5 Ų21.50%012%0.116CC..Hα-helixtrans-59.5-46.2176.300000112S174 M203 A204 N211S174-G207 WeakPolarHBondContact OG-CA 3.19Å; M203-G207 PolarHBondContact O-N 3.06Å; M203-G207 VanDerWaalsContact O-N 3.11Å; A204-G207 PolarHBondContact O-N 3.25Å; G207-N211 VanDerWaalsContact O-CB 3.32Å; G207-N211 WeakPolarHBondContact O-CB 3.34Å; G207-N211 PolarHBondContact O-N 3.5Å; G207-N211 VanDerWaalsContact O-N 3.1Å; G207-N211 PolarHBondContact O-ND2 3.48Å
208L91.3Very high89.8Confident0 Ų019.7 Ų19.70%011%0.108CC..Hα-helixtrans-60.4-51.2176.2-73.1168.3000111.7M31 N175 M178 A204 L205 S206 L210 T212 F264M31-L208 HydrophobicContact CE-CB 4.31Å; M31-L208 HydrophobicContact SD-CB 3.85Å; N175-L208 HydrophobicContact CB-CD2 4.2Å; N175-L208 WeakPolarHBondContact ND2-CD2 3.3Å; N175-L208 WeakPolarHBondContact OD1-CD2 3.46Å; M178-L208 HydrophobicContact CB-CD1 4.15Å; M178-L208 HydrophobicContact CE-CD1 4.04Å; M178-L208 HydrophobicContact CG-CD1 4.44Å; A204-L208 WeakPolarHBondContact O-CB 3.4Å; A204-L208 VanDerWaalsContact O-CG 3.28Å; A204-L208 WeakPolarHBondContact O-CG 3.49Å; A204-L208 PolarHBondContact O-N 3.31Å; L205-L208 PolarHBondContact O-N 3.16Å; S206-L208 PolarHBondContact O-N 3.16Å; L208-L210 PolarHBondContact O-N 2.97Å; L208-T212 WeakPolarHBondContact O-CB 3.36Å; L208-T212 PolarHBondContact O-N 3.33Å; L208-T212 PolarHBondContact O-OG1 3.36Å; L208-F264 HydrophobicContact CD1-CD1 4.03Å; L208-F264 HydrophobicContact CD1-CE1 3.71Å
209G87.3Confident89.3Confident25 Ų2519.7 Ų19.726%0.25811%0.108SC..Hα-helixtrans-61.3-48.4-176.800000113.2L205 S206 F213L205-G209 PolarHBondContact O-N 3.36Å; S206-G209 PolarHBondContact O-N 3.36Å; G209-F213 WeakPolarHBondContact O-CB 3.17Å; G209-F213 PolarHBondContact O-N 2.89Å; G209-F213 VanDerWaalsContact O-N 3.1Å
210L85.3Confident88.6Confident62 Ų6217 Ų1733%0.32510%0.097SC..Hα-helixtrans-66.2-49-178-68.1173.4000111.8A155 S206 L208 F213 S214A155-L210 HydrophobicContact CB-CD1 4.14Å; S206-L210 WeakPolarHBondContact O-CB 3.44Å; S206-L210 VanDerWaalsContact O-CG 3.3Å; S206-L210 WeakPolarHBondContact O-CG 3.21Å; S206-L210 PolarHBondContact O-N 3.16Å; L208-L210 PolarHBondContact O-N 2.97Å; L210-F213 PolarHBondContact O-N 2.86Å; L210-S214 WeakPolarHBondContact O-CB 3.25Å; L210-S214 PolarHBondContact O-N 3.28Å; L210-S214 PolarHBondContact O-OG 3.28Å; L210-S214 VanDerWaalsContact O-OG 3.08Å
211N88.1Confident87.6Confident0 Ų016.6 Ų16.60%09%0.092CC..Hα-helixtrans-69.4-36.9-176.7-70-67000112.1S162 L171 G207 L215S162-N211 WeakPolarHBondContact CB-OD1 3.32Å; L171-N211 HydrophobicContact CB-CB 4.11Å; L171-N211 HydrophobicContact CD1-CB 4.49Å; G207-N211 VanDerWaalsContact O-CB 3.32Å; G207-N211 WeakPolarHBondContact O-CB 3.34Å; G207-N211 PolarHBondContact O-N 3.5Å; G207-N211 VanDerWaalsContact O-N 3.1Å; G207-N211 PolarHBondContact O-ND2 3.48Å; N211-L215 WeakPolarHBondContact O-CB 3.41Å; N211-L215 WeakPolarHBondContact O-CG 3.49Å; N211-L215 PolarHBondContact O-N 2.7Å
212T89.4Confident86.5Confident1 Ų120.6 Ų20.61%0.00612%0.117CC..Hα-helixtrans-63.8-49.9176.4-58.60000110.7L24 V28 L208 S214 L215 I216L24-T212 HydrophobicContact CB-CG2 3.83Å; L24-T212 HydrophobicContact CD2-CG2 4.11Å; L24-T212 HydrophobicContact CG-CG2 4.43Å; L24-T212 VanDerWaalsContact O-CG2 3.29Å; L24-T212 WeakPolarHBondContact O-CG2 3.46Å; V28-T212 HydrophobicContact CG2-CG2 3.78Å; L208-T212 WeakPolarHBondContact O-CB 3.36Å; L208-T212 PolarHBondContact O-N 3.33Å; L208-T212 PolarHBondContact O-OG1 3.36Å; T212-S214 PolarHBondContact O-N 2.7Å; T212-L215 PolarHBondContact O-N 3.01Å; T212-I216 HydrophobicContact CG2-CD1 3.96Å; T212-I216 VanDerWaalsContact O-CG1 3.29Å; T212-I216 WeakPolarHBondContact O-CG1 3.06Å; T212-I216 PolarHBondContact O-N 2.79Å
213F84Confident85.5Confident109 Ų10928 Ų2848%0.47815%0.145SC..Hα-helixtrans-62.2-43.1179.9-174.3-97.9000112G209 L210 I216 V217G209-F213 WeakPolarHBondContact O-CB 3.17Å; G209-F213 PolarHBondContact O-N 2.89Å; G209-F213 VanDerWaalsContact O-N 3.1Å; L210-F213 PolarHBondContact O-N 2.86Å; F213-I216 PolarHBondContact O-N 3.18Å; F213-V217 HydrophobicContact CD1-CG2 4.22Å; F213-V217 HydrophobicContact CE1-CG2 3.82Å; F213-V217 HydrophobicContact CE2-CG2 4.35Å; F213-V217 HydrophobicContact CZ-CG2 3.9Å; F213-V217 WeakPolarHBondContact O-CG2 3.24Å; F213-V217 PolarHBondContact O-N 2.94Å
214S83.5Confident84.6Confident41 Ų4128.5 Ų28.529%0.28715%0.15SC..Hα-helixtrans-61.6-45176.5-66.20000112.4L210 T212 I216 V217 E218L210-S214 WeakPolarHBondContact O-CB 3.25Å; L210-S214 PolarHBondContact O-N 3.28Å; L210-S214 PolarHBondContact O-OG 3.28Å; L210-S214 VanDerWaalsContact O-OG 3.08Å; T212-S214 PolarHBondContact O-N 2.7Å; S214-I216 PolarHBondContact O-N 3.36Å; S214-V217 PolarHBondContact O-N 3.38Å; S214-E218 WeakPolarHBondContact O-CB 3.15Å; S214-E218 VanDerWaalsContact O-CG 3.23Å; S214-E218 WeakPolarHBondContact O-CG 3.38Å; S214-E218 PolarHBondContact O-N 3.49Å
215L85.8Confident83.7Confident0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-62.9-42.7177.5-80.9166.7000112.4L24 R167 L171 N211 T212 E218 W219L24-L215 HydrophobicContact CD1-CB 3.97Å; R167-L215 HydrophobicContact CB-CD1 4.16Å; R167-L215 HydrophobicContact CB-CD2 3.95Å; R167-L215 HydrophobicContact CB-CG 3.77Å; L171-L215 HydrophobicContact CD1-CD1 3.82Å; N211-L215 WeakPolarHBondContact O-CB 3.41Å; N211-L215 WeakPolarHBondContact O-CG 3.49Å; N211-L215 PolarHBondContact O-N 2.7Å; T212-L215 PolarHBondContact O-N 3.01Å; L215-E218 PolarHBondContact O-N 3.44Å; L215-W219 PolarHBondContact O-N 3.34Å; L215-W219 VanDerWaalsContact O-N 3.15Å
216I85.7Confident82.8Confident3 Ų335.8 Ų35.82%0.01519%0.188CC..Hα-helixtrans-57.5-51.1175.3-71.8174000110L24 T212 F213 S214 E218 W219 I220 T228 T232L24-I216 HydrophobicContact CB-CD1 4.13Å; L24-I216 HydrophobicContact CB-CG1 4.11Å; L24-I216 HydrophobicContact CD1-CG1 3.72Å; T212-I216 HydrophobicContact CG2-CD1 3.96Å; T212-I216 VanDerWaalsContact O-CG1 3.29Å; T212-I216 WeakPolarHBondContact O-CG1 3.06Å; T212-I216 PolarHBondContact O-N 2.79Å; F213-I216 PolarHBondContact O-N 3.18Å; S214-I216 PolarHBondContact O-N 3.36Å; I216-E218 VanDerWaalsContact C-N 3.33Å; I216-E218 PolarHBondContact O-N 3.34Å; I216-W219 PolarHBondContact O-N 2.66Å; I216-I220 HydrophobicContact CG2-CD1 3.52Å; I216-I220 VanDerWaalsContact O-CB 3.27Å; I216-I220 WeakPolarHBondContact O-CB 3.44Å; I216-I220 VanDerWaalsContact O-CD1 3.26Å; I216-I220 WeakPolarHBondContact O-CD1 3.11Å; I216-I220 WeakPolarHBondContact O-CG1 3.36Å; I216-I220 PolarHBondContact O-N 2.96Å; I216-T228 HydrophobicContact CG2-CG2 3.61Å; I216-T232 HydrophobicContact CD1-CG2 4.31Å
217V81.4Confident82.2Confident32 Ų3243.1 Ų43.119%0.19422%0.22CC..Hα-helixtrans-65.8-35.3-176.91670000112.3F213 S214 R225F213-V217 HydrophobicContact CD1-CG2 4.22Å; F213-V217 HydrophobicContact CE1-CG2 3.82Å; F213-V217 HydrophobicContact CE2-CG2 4.35Å; F213-V217 HydrophobicContact CZ-CG2 3.9Å; F213-V217 WeakPolarHBondContact O-CG2 3.24Å; F213-V217 PolarHBondContact O-N 2.94Å; S214-V217 PolarHBondContact O-N 3.38Å; V217-R225 PolarHBondContact O-NE 3.38Å; V217-R225 PolarHBondContact O-NH2 2.92Å; V217-R225 VanDerWaalsContact O-NH2 3.09Å
218E84Confident81.9Confident22 Ų2243.9 Ų43.910%0.10323%0.225CC..Hα-helixtrans-76.7-26.7-177.2-72178.916400113.5R167 S214 L215 I216 S277R167-E218 IonicContact CZ-OE1 2.7Å; R167-E218 IonicContact NH1-OE1 3.64Å; R167-E218 PolarHBondContact NH1-OE1 3.08Å; R167-E218 IonicContact NH1-OE2 3.29Å; R167-E218 PolarHBondContact NH1-OE2 3.16Å; S214-E218 WeakPolarHBondContact O-CB 3.15Å; S214-E218 VanDerWaalsContact O-CG 3.23Å; S214-E218 WeakPolarHBondContact O-CG 3.38Å; S214-E218 PolarHBondContact O-N 3.49Å; L215-E218 PolarHBondContact O-N 3.44Å; I216-E218 VanDerWaalsContact C-N 3.33Å; I216-E218 PolarHBondContact O-N 3.34Å; E218-S277 WeakPolarHBondContact OE2-CB 3.43Å; E218-S277 PolarHBondContact OE2-OG 3.47Å
219W82Confident81.2Confident3 Ų344.9 Ų44.91%0.01124%0.235CC..Hα-helixtrans-96.1-1.8178.1-80.1111.3000114.9L7 F16 Q17 H20 L215 I216 H275 E276 S278 M293 L294 V297L7-W219 WeakPolarHBondContact CD2-O 3.43Å; F16-W219 HydrophobicContact CE1-CD2 4.28Å; F16-W219 HydrophobicContact CE1-CE3 4.17Å; F16-W219 HydrophobicContact CE1-CZ3 4.42Å; Q17-W219 WeakPolarHBondContact CG-O 3.39Å; H20-W219 AromaticContact NE2-CD1 3.57Å; L215-W219 PolarHBondContact O-N 3.34Å; L215-W219 VanDerWaalsContact O-N 3.15Å; I216-W219 PolarHBondContact O-N 2.66Å; W219-H275 HydrophobicContact CZ2-CB 3.94Å; W219-E276 WeakPolarHBondContact CZ2-O 3.37Å; W219-S278 WeakPolarHBondContact CH2-OG 3.37Å; W219-M293 HydrophobicContact CH2-CB 4.46Å; W219-L294 HydrophobicContact CZ3-CD2 4.44Å; W219-V297 HydrophobicContact CE3-CG2 4.38Å; W219-V297 HydrophobicContact CH2-CB 4.39Å; W219-V297 HydrophobicContact CH2-CG2 3.48Å; W219-V297 VanDerWaalsContact CH2-CG2 3.48Å; W219-V297 HydrophobicContact CZ2-CG2 4.4Å; W219-V297 HydrophobicContact CZ3-CB 4.04Å; W219-V297 HydrophobicContact CZ3-CG1 4.13Å; W219-V297 HydrophobicContact CZ3-CG2 3.48Å; W219-V297 VanDerWaalsContact CZ3-CG2 3.48Å
220I82.4Confident80.8Confident7 Ų746.1 Ų46.14%0.03624%0.237CC..SBendtrans-116.2139.4-176.7-66.3175.2000110.7V21 I216 V224 R225 T228V21-I220 HydrophobicContact CG2-CD1 3.34Å; V21-I220 HydrophobicContact CG2-CG1 4.17Å; I216-I220 HydrophobicContact CG2-CD1 3.52Å; I216-I220 VanDerWaalsContact O-CB 3.27Å; I216-I220 WeakPolarHBondContact O-CB 3.44Å; I216-I220 VanDerWaalsContact O-CD1 3.26Å; I216-I220 WeakPolarHBondContact O-CD1 3.11Å; I216-I220 WeakPolarHBondContact O-CG1 3.36Å; I216-I220 PolarHBondContact O-N 2.96Å; I220-V224 HydrophobicContact CG2-CB 4.38Å; I220-V224 HydrophobicContact CG2-CG2 3.36Å; I220-R225 HydrophobicContact CB-CG 4.36Å; I220-R225 HydrophobicContact CG2-CG 4.05Å; I220-R225 PolarHBondContact O-NE 3.27Å; I220-R225 PolarHBondContact O-NH2 3.33Å; I220-T228 HydrophobicContact CD1-CG2 3.56Å
221P76.3Confident80.8Confident0 Ų044.8 Ų44.80%024%0.235CC..  trans-67.1152177.633.6-41.7000110.9S12 R223 V224 R225S12-P221 WeakPolarHBondContact O-CD 3.47Å; P221-R223 HydrophobicContact CB-CG 4.17Å; P221-R223 HydrophobicContact CG-CG 4.04Å; P221-R223 PolarHBondContact O-N 3.25Å; P221-R223 VanDerWaalsContact O-N 3.11Å; P221-V224 HydrophobicContact CG-CG2 3.51Å; P221-V224 PolarHBondContact O-N 3.38Å; P221-R225 WeakPolarHBondContact O-CG 3.5Å; P221-R225 PolarHBondContact O-N 3Å
222T73.3Confident80.5Confident85 Ų8545.3 Ų45.352%0.52124%0.239SC..Hα-helixtrans-52.6-37.6-176.6440000113.8V224 R225T222-V224 PolarHBondContact O-N 2.99Å; T222-R225 PolarHBondContact O-N 3.32Å
223R72.5Confident80.2Confident155 Ų15546.6 Ų46.659%0.58525%0.252SS*.Hα-helixtrans-58-37.4-179.960.6176.9-173.6179.21.1115.3S12 P221S12-R223 PolarHBondContact OG-NH2 2.92Å; P221-R223 HydrophobicContact CB-CG 4.17Å; P221-R223 HydrophobicContact CG-CG 4.04Å; P221-R223 PolarHBondContact O-N 3.25Å; P221-R223 VanDerWaalsContact O-N 3.11Å
224V76.6Confident80.3Confident44 Ų4444.3 Ų44.327%0.26724%0.241SC..Hα-helixtrans-106.1-1.9-177.4-69.50000113.3T13 I220 P221 T222 T226 F227 T228T13-V224 HydrophobicContact CG2-CG2 4.4Å; I220-V224 HydrophobicContact CG2-CB 4.38Å; I220-V224 HydrophobicContact CG2-CG2 3.36Å; P221-V224 HydrophobicContact CG-CG2 3.51Å; P221-V224 PolarHBondContact O-N 3.38Å; T222-V224 PolarHBondContact O-N 2.99Å; V224-T226 VanDerWaalsContact C-N 3.32Å; V224-T226 PolarHBondContact O-N 2.96Å; V224-F227 PolarHBondContact O-N 3.3Å; V224-T228 PolarHBondContact O-N 3.48Å; V224-T228 PolarHBondContact O-OG1 2.91Å
225R77.1Confident80.6Confident56 Ų5643.9 Ų43.921%0.21124%0.237CC..Hα-helixtrans-56-44.3179.3-84.8176.5-167.91782113.1V217 I220 P221 T222 T228 G229V217-R225 PolarHBondContact O-NE 3.38Å; V217-R225 PolarHBondContact O-NH2 2.92Å; V217-R225 VanDerWaalsContact O-NH2 3.09Å; I220-R225 HydrophobicContact CB-CG 4.36Å; I220-R225 HydrophobicContact CG2-CG 4.05Å; I220-R225 PolarHBondContact O-NE 3.27Å; I220-R225 PolarHBondContact O-NH2 3.33Å; P221-R225 WeakPolarHBondContact O-CG 3.5Å; P221-R225 PolarHBondContact O-N 3Å; T222-R225 PolarHBondContact O-N 3.32Å; R225-T228 PolarHBondContact O-N 3.39Å; R225-G229 PolarHBondContact O-N 2.94Å
226T72.9Confident80.8Confident102 Ų10246.1 Ų46.163%0.62625%0.246SC*.Hα-helixtrans-62.3-49.1-179.3-49.60000110.4V224 T228 G229 T230V224-T226 VanDerWaalsContact C-N 3.32Å; V224-T226 PolarHBondContact O-N 2.96Å; T226-T228 PolarHBondContact O-N 3.15Å; T226-G229 PolarHBondContact O-N 3.29Å; T226-T230 PolarHBondContact O-N 2.88Å; T226-T230 PolarHBondContact O-OG1 2.91Å
227F78.9Confident81Confident159 Ų15946 Ų4670%0.69725%0.245SC*.Hα-helixtrans-58.5-48.9177.4178.6-98000111.9V224 G229 T230 A231V224-F227 PolarHBondContact O-N 3.3Å; F227-G229 PolarHBondContact O-N 2.83Å; F227-T230 PolarHBondContact O-N 3.21Å; F227-A231 WeakPolarHBondContact O-CB 3.36Å; F227-A231 PolarHBondContact O-N 3.49Å
228T81.6Confident81.4Confident16 Ų1649.5 Ų49.510%0.09826%0.261CS..Hα-helixtrans-64.8-40.9179.6-52.70000112.1V21 I216 I220 V224 R225 T226 T230 A231 T232V21-T228 HydrophobicContact CB-CG2 4.47Å; V21-T228 HydrophobicContact CG1-CG2 3.55Å; V21-T228 HydrophobicContact CG2-CG2 3.99Å; I216-T228 HydrophobicContact CG2-CG2 3.61Å; I220-T228 HydrophobicContact CD1-CG2 3.56Å; V224-T228 PolarHBondContact O-N 3.48Å; V224-T228 PolarHBondContact O-OG1 2.91Å; R225-T228 PolarHBondContact O-N 3.39Å; T226-T228 PolarHBondContact O-N 3.15Å; T228-T230 PolarHBondContact O-N 2.96Å; T228-A231 WeakPolarHBondContact O-CB 3.31Å; T228-A231 PolarHBondContact O-N 3.39Å; T228-T232 PolarHBondContact O-N 3.34Å; T228-T232 PolarHBondContact O-OG1 2.88Å; T228-T232 VanDerWaalsContact O-OG1 3.06Å
229G77.2Confident81.7Confident20 Ų2048.5 Ų48.521%0.20626%0.256CS..Hα-helixtrans-61.4-42.8176.100000112.3R225 T226 F227 T232 G233R225-G229 PolarHBondContact O-N 2.94Å; T226-G229 PolarHBondContact O-N 3.29Å; F227-G229 PolarHBondContact O-N 2.83Å; G229-T232 PolarHBondContact O-N 3.41Å; G229-G233 PolarHBondContact O-N 3.44Å; G229-G233 VanDerWaalsContact O-N 3.09Å
230T78.8Confident82Confident51 Ų5148.3 Ų48.331%0.31326%0.255SS..Hα-helixtrans-64.5-42174.1-50.40000111.3T226 F227 T228 T232 G233 Y234T226-T230 PolarHBondContact O-N 2.88Å; T226-T230 PolarHBondContact O-OG1 2.91Å; F227-T230 PolarHBondContact O-N 3.21Å; T228-T230 PolarHBondContact O-N 2.96Å; T230-T232 PolarHBondContact O-N 3.41Å; T230-G233 CarbonylContact O-C 3.6Å; T230-G233 WeakPolarHBondContact O-CA 3.28Å; T230-G233 PolarHBondContact O-N 3.2Å; T230-G233 VanDerWaalsContact O-N 3.1Å; T230-Y234 HydrophobicContact CG2-CD2 3.96Å; T230-Y234 HydrophobicContact CG2-CE2 3.46Å; T230-Y234 VanDerWaalsContact CG2-CE2 3.46Å; T230-Y234 VanDerWaalsContact O-CD2 3.26Å; T230-Y234 WeakPolarHBondContact O-CD2 3.25Å; T230-Y234 PolarHBondContact O-N 3.01Å
231A84.4Confident82.5Confident34 Ų3450.8 Ų50.828%0.28127%0.268SS..Hα-helixtrans-59.1-45.7176.400000111.9F227 T228 G233 Y234 C235F227-A231 WeakPolarHBondContact O-CB 3.36Å; F227-A231 PolarHBondContact O-N 3.49Å; T228-A231 WeakPolarHBondContact O-CB 3.31Å; T228-A231 PolarHBondContact O-N 3.39Å; A231-G233 VanDerWaalsContact C-N 3.27Å; A231-G233 PolarHBondContact O-N 2.97Å; A231-Y234 PolarHBondContact O-N 2.83Å; A231-Y234 VanDerWaalsContact O-N 3.07Å; A231-C235 PolarHBondContact O-N 3.31Å; A231-C235 PolarHBondContact O-SG 2.91Å; A231-C235 VanDerWaalsContact O-SG 3.32Å
232T82.9Confident83.2Confident12 Ų1253.8 Ų53.87%0.07428%0.283CS..Hα-helixtrans-59.5-38.1173.9-54.20000111.8C25 V28 I216 T228 G229 T230 Y234 C235 Y236C25-T232 PolarHBondContact SG-OG1 3.11Å; V28-T232 HydrophobicContact CB-CG2 4.32Å; V28-T232 HydrophobicContact CG1-CG2 3.91Å; V28-T232 HydrophobicContact CG2-CG2 4.06Å; I216-T232 HydrophobicContact CD1-CG2 4.31Å; T228-T232 PolarHBondContact O-N 3.34Å; T228-T232 PolarHBondContact O-OG1 2.88Å; T228-T232 VanDerWaalsContact O-OG1 3.06Å; G229-T232 PolarHBondContact O-N 3.41Å; T230-T232 PolarHBondContact O-N 3.41Å; T232-Y234 VanDerWaalsContact C-N 3.34Å; T232-Y234 PolarHBondContact O-N 3.29Å; T232-C235 WeakPolarHBondContact O-CB 3.5Å; T232-C235 PolarHBondContact O-N 3.47Å; T232-Y236 PolarHBondContact O-N 2.84Å
233G82.7Confident84.1Confident28 Ų2849.7 Ų49.729%0.28926%0.258SS..Hα-helixtrans-65.6-32174.200000114.1G229 T230 A231 T237 K388G229-G233 PolarHBondContact O-N 3.44Å; G229-G233 VanDerWaalsContact O-N 3.09Å; T230-G233 CarbonylContact O-C 3.6Å; T230-G233 WeakPolarHBondContact O-CA 3.28Å; T230-G233 PolarHBondContact O-N 3.2Å; T230-G233 VanDerWaalsContact O-N 3.1Å; A231-G233 VanDerWaalsContact C-N 3.27Å; A231-G233 PolarHBondContact O-N 2.97Å; G233-T237 PolarHBondContact O-N 3.29Å; G233-K388 PolarHBondContact O-NZ 3.29Å; G233-K388 VanDerWaalsContact O-NZ 3.16Å
234Y87.3Confident85Confident61 Ų6142.5 Ų42.524%0.23923%0.231CC..Hα-helixtrans-73.9-37.4171.6-73.5-60.7000112T230 A231 T232 Y236 T237 M238 I385 K388 V389T230-Y234 HydrophobicContact CG2-CD2 3.96Å; T230-Y234 HydrophobicContact CG2-CE2 3.46Å; T230-Y234 VanDerWaalsContact CG2-CE2 3.46Å; T230-Y234 VanDerWaalsContact O-CD2 3.26Å; T230-Y234 WeakPolarHBondContact O-CD2 3.25Å; T230-Y234 PolarHBondContact O-N 3.01Å; A231-Y234 PolarHBondContact O-N 2.83Å; A231-Y234 VanDerWaalsContact O-N 3.07Å; T232-Y234 VanDerWaalsContact C-N 3.34Å; T232-Y234 PolarHBondContact O-N 3.29Å; Y234-Y236 PolarHBondContact O-N 3.04Å; Y234-T237 PolarHBondContact O-N 3.11Å; Y234-T237 VanDerWaalsContact O-N 3.08Å; Y234-M238 WeakPolarHBondContact O-CG 3.49Å; Y234-M238 PolarHBondContact O-N 2.99Å; Y234-I385 HydrophobicContact CD1-CG1 4.45Å; Y234-I385 HydrophobicContact CD1-CG2 4.44Å; Y234-I385 HydrophobicContact CE1-CB 4.48Å; Y234-I385 HydrophobicContact CE1-CG2 3.99Å; Y234-K388 HydrophobicContact CD1-CD 4.49Å; Y234-K388 HydrophobicContact CE1-CB 4.28Å; Y234-K388 HydrophobicContact CE1-CD 4.09Å; Y234-V389 WeakPolarHBondContact OH-CG2 3.32Å
235C89.7Confident85.7Confident31 Ų3142.8 Ų42.821%0.20924%0.238CC..Hα-helixtrans-55.5-41.3173.1-64.60000111.5F29 A231 T232 M238 G239F29-C235 WeakPolarHBondContact CD2-O 3.47Å; A231-C235 PolarHBondContact O-N 3.31Å; A231-C235 PolarHBondContact O-SG 2.91Å; A231-C235 VanDerWaalsContact O-SG 3.32Å; T232-C235 WeakPolarHBondContact O-CB 3.5Å; T232-C235 PolarHBondContact O-N 3.47Å; C235-M238 PolarHBondContact O-N 3Å; C235-G239 PolarHBondContact O-N 2.66Å
236Y88.5Confident86.4Confident47 Ų4741.8 Ų41.818%0.18424%0.237CC..Hα-helixtrans-61.3-45.6174.8-172.2-90.9000112.6V28 M31 A32 N35 T232 Y234 G239 Q240V28-Y236 HydrophobicContact CG1-CD2 4.32Å; M31-Y236 HydrophobicContact CB-CD2 4.33Å; M31-Y236 HydrophobicContact CB-CE2 4.09Å; A32-Y236 VanDerWaalsContact CA-CE2 3.5Å; A32-Y236 HydrophobicContact CB-CD1 4.1Å; A32-Y236 HydrophobicContact CB-CD2 3.92Å; A32-Y236 HydrophobicContact CB-CE1 3.87Å; A32-Y236 HydrophobicContact CB-CE2 3.69Å; A32-Y236 HydrophobicContact CB-CG 4.12Å; A32-Y236 VanDerWaalsContact CB-O 3.24Å; A32-Y236 WeakPolarHBondContact CB-O 3.41Å; N35-Y236 WeakPolarHBondContact CB-OH 3.48Å; N35-Y236 PolarHBondContact ND2-OH 3.31Å; T232-Y236 PolarHBondContact O-N 2.84Å; Y234-Y236 PolarHBondContact O-N 3.04Å; Y236-G239 WeakPolarHBondContact O-CA 3.45Å; Y236-G239 PolarHBondContact O-N 3.48Å; Y236-Q240 PolarHBondContact O-N 3.25Å
237T89.6Confident87.2Confident0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-64.5-39.4178-64.50000112.1G233 Y234 G239 Q240 M241 G381 D384 I385 K388G233-T237 PolarHBondContact O-N 3.29Å; Y234-T237 PolarHBondContact O-N 3.11Å; Y234-T237 VanDerWaalsContact O-N 3.08Å; T237-G239 VanDerWaalsContact C-N 3.29Å; T237-G239 PolarHBondContact O-N 2.84Å; T237-Q240 WeakPolarHBondContact O-CB 3.26Å; T237-Q240 PolarHBondContact O-N 2.85Å; T237-M241 PolarHBondContact O-N 3.37Å; T237-M241 VanDerWaalsContact O-N 3.16Å; T237-G381 WeakPolarHBondContact CG2-O 3.4Å; T237-D384 HydrophobicContact CG2-CB 3.7Å; T237-I385 HydrophobicContact CG2-CD1 4.38Å; T237-I385 HydrophobicContact CG2-CG1 3.78Å; T237-K388 PolarHBondContact OG1-NZ 2.93Å
238M90.6Very high87.7Confident107 Ų10737.2 Ų37.253%0.52721%0.205SC..Hα-helixtrans-62.6-39.1173.7-66178.463.700111.5F29 Y234 C235 Q240 M241 L242F29-M238 HydrophobicContact CD2-CB 4.05Å; F29-M238 HydrophobicContact CE2-CB 3.67Å; Y234-M238 WeakPolarHBondContact O-CG 3.49Å; Y234-M238 PolarHBondContact O-N 2.99Å; C235-M238 PolarHBondContact O-N 3Å; M238-Q240 VanDerWaalsContact C-N 3.34Å; M238-Q240 PolarHBondContact O-N 2.87Å; M238-M241 PolarHBondContact O-N 3.45Å; M238-L242 PolarHBondContact O-N 3.42Å
239G90.4Very high88.1Confident0 Ų043.2 Ų43.20%024%0.235CC..Hα-helixtrans-57.2-44.6172.100000113.6F29 C235 Y236 T237 M241 L242 L243F29-G239 WeakPolarHBondContact O-CA 3.19Å; C235-G239 PolarHBondContact O-N 2.66Å; Y236-G239 WeakPolarHBondContact O-CA 3.45Å; Y236-G239 PolarHBondContact O-N 3.48Å; T237-G239 VanDerWaalsContact C-N 3.29Å; T237-G239 PolarHBondContact O-N 2.84Å; G239-M241 VanDerWaalsContact C-N 3.26Å; G239-M241 PolarHBondContact O-N 3.37Å; G239-L242 PolarHBondContact O-N 2.86Å; G239-L242 VanDerWaalsContact O-N 3.13Å; G239-L243 PolarHBondContact O-N 3.24Å; G239-L243 VanDerWaalsContact O-N 3.12Å
240Q89.4Confident88.7Confident0 Ų044.7 Ų44.70%024%0.238CC..Hα-helixtrans-60-35.6175.6170.1173.5-1900112.5A32 L36 Y236 T237 M238 P244A32-Q240 HydrophobicContact CB-CB 4.03Å; L36-Q240 HydrophobicContact CD1-CB 4.12Å; L36-Q240 HydrophobicContact CD1-CG 3.54Å; Y236-Q240 PolarHBondContact O-N 3.25Å; T237-Q240 WeakPolarHBondContact O-CB 3.26Å; T237-Q240 PolarHBondContact O-N 2.85Å; M238-Q240 VanDerWaalsContact C-N 3.34Å; M238-Q240 PolarHBondContact O-N 2.87Å; Q240-P244 WeakPolarHBondContact O-CD 3.12Å
241M91.9Very high89.1Confident59 Ų5944.5 Ų44.529%0.29124%0.237SC..Hα-helixtrans-76.6-27.7176.1-65.1176.868.800112.9T237 M238 G239 P244 V378 A382 I385T237-M241 PolarHBondContact O-N 3.37Å; T237-M241 VanDerWaalsContact O-N 3.16Å; M238-M241 PolarHBondContact O-N 3.45Å; G239-M241 VanDerWaalsContact C-N 3.26Å; G239-M241 PolarHBondContact O-N 3.37Å; M241-P244 WeakPolarHBondContact O-CD 3.25Å; M241-P244 WeakPolarHBondContact O-CG 3.41Å; M241-V378 HydrophobicContact CE-CG1 4.18Å; M241-A382 HydrophobicContact CE-CB 4.15Å; M241-I385 HydrophobicContact SD-CD1 4.35Å
242L91.9Very high89.3Confident62 Ų6245.3 Ų45.333%0.32524%0.236SC..Hα-helixtrans-72.8-38.1176.6-179.465.9000112.3F29 M238 G239 A245 I246F29-L242 HydrophobicContact CD1-CD2 4.44Å; F29-L242 HydrophobicContact CE1-CD2 3.27Å; F29-L242 HydrophobicContact CE1-CG 4.5Å; F29-L242 HydrophobicContact CZ-CB 4.05Å; F29-L242 HydrophobicContact CZ-CD2 3.44Å; F29-L242 VanDerWaalsContact CZ-CD2 3.44Å; F29-L242 HydrophobicContact CZ-CG 4.31Å; M238-L242 PolarHBondContact O-N 3.42Å; G239-L242 PolarHBondContact O-N 2.86Å; G239-L242 VanDerWaalsContact O-N 3.13Å; L242-A245 WeakPolarHBondContact O-CB 3.37Å; L242-A245 PolarHBondContact O-N 3.34Å; L242-I246 HydrophobicContact CD1-CG1 4.4Å; L242-I246 HydrophobicContact CD2-CD1 4.01Å; L242-I246 HydrophobicContact CG-CD1 3.87Å; L242-I246 HydrophobicContact CG-CG1 4.12Å; L242-I246 PolarHBondContact O-N 3.24Å; L242-I246 VanDerWaalsContact O-N 3.13Å
243L91.3Very high89.7Confident0 Ų044.9 Ų44.90%023%0.234CC..Hα-helixtrans-47.7-52-179.2175.367.2000114L36 L37 F40 G239 A245 I246 A247 V260L36-L243 HydrophobicContact CB-CD2 3.7Å; L37-L243 HydrophobicContact CD1-CD1 4.28Å; F40-L243 HydrophobicContact CD2-CD1 4.5Å; F40-L243 HydrophobicContact CD2-CD2 3.84Å; F40-L243 HydrophobicContact CD2-CG 3.99Å; F40-L243 HydrophobicContact CE2-CD2 3.6Å; F40-L243 HydrophobicContact CE2-CG 3.75Å; G239-L243 PolarHBondContact O-N 3.24Å; G239-L243 VanDerWaalsContact O-N 3.12Å; L243-A245 VanDerWaalsContact C-N 3.27Å; L243-A245 PolarHBondContact O-N 2.92Å; L243-I246 PolarHBondContact O-N 3.15Å; L243-A247 WeakPolarHBondContact O-CB 3.19Å; L243-A247 PolarHBondContact O-N 3.2Å; L243-V260 HydrophobicContact CD1-CG2 4.35Å
244P91.4Very high90.2Very high3 Ų348.1 Ų48.12%0.01924%0.237CC..Hα-helixtrans-62.4-30.7178.818.9-29.4000113.4F40 Q240 M241 A247 Y248 Y374 Q377 V378F40-P244 HydrophobicContact CE1-CB 4.31Å; F40-P244 HydrophobicContact CZ-CB 3.83Å; Q240-P244 WeakPolarHBondContact O-CD 3.12Å; M241-P244 WeakPolarHBondContact O-CD 3.25Å; M241-P244 WeakPolarHBondContact O-CG 3.41Å; P244-A247 PolarHBondContact O-N 2.95Å; P244-Y248 WeakPolarHBondContact O-CB 3.42Å; P244-Y248 PolarHBondContact O-N 3.49Å; P244-Y374 HydrophobicContact CB-CD1 4.23Å; P244-Y374 WeakPolarHBondContact CB-O 3.1Å; P244-Y374 WeakPolarHBondContact O-CD1 3.4Å; P244-Q377 HydrophobicContact CB-CB 4.27Å; P244-Q377 HydrophobicContact CB-CG 4.31Å; P244-Q377 HydrophobicContact CG-CB 4.15Å; P244-Q377 HydrophobicContact CG-CG 3.86Å; P244-V378 HydrophobicContact CB-CG2 4.09Å; P244-V378 HydrophobicContact CG-CG2 3.45Å; P244-V378 VanDerWaalsContact CG-CG2 3.45Å
245A91.8Very high90.5Very high50 Ų5053 Ų5341%0.41326%0.255SS..Hα-helixtrans-67.3-42.6174.700000111.4L242 L243 Y248 L249L242-A245 WeakPolarHBondContact O-CB 3.37Å; L242-A245 PolarHBondContact O-N 3.34Å; L243-A245 VanDerWaalsContact C-N 3.27Å; L243-A245 PolarHBondContact O-N 2.92Å; A245-Y248 PolarHBondContact O-N 3.4Å; A245-L249 WeakPolarHBondContact O-CG 3.43Å; A245-L249 PolarHBondContact O-N 3.31Å
246I91.6Very high90.7Very high35 Ų3551.7 Ų51.718%0.17925%0.246CC..Hα-helixtrans-63.8-43.8174.3-58.6172.6000110.3L242 L243 Y248 L249 I250 L256L242-I246 HydrophobicContact CD1-CG1 4.4Å; L242-I246 HydrophobicContact CD2-CD1 4.01Å; L242-I246 HydrophobicContact CG-CD1 3.87Å; L242-I246 HydrophobicContact CG-CG1 4.12Å; L242-I246 PolarHBondContact O-N 3.24Å; L242-I246 VanDerWaalsContact O-N 3.13Å; L243-I246 PolarHBondContact O-N 3.15Å; I246-Y248 VanDerWaalsContact C-N 3.27Å; I246-Y248 PolarHBondContact O-N 3.29Å; I246-L249 PolarHBondContact O-N 3.13Å; I246-I250 HydrophobicContact CG2-CD1 4.19Å; I246-I250 PolarHBondContact O-N 3.18Å; I246-L256 HydrophobicContact CG2-CD1 3.78Å
247A89.8Confident90.9Very high1 Ų149.5 Ų49.51%0.00824%0.238CC..Hα-helixtrans-71.1-19.3-17900000113.9F40 L243 P244 L256 Y374F40-A247 HydrophobicContact CB-CB 4.15Å; F40-A247 HydrophobicContact CD1-CB 3.7Å; F40-A247 HydrophobicContact CD2-CB 4.24Å; F40-A247 HydrophobicContact CE1-CB 4.2Å; F40-A247 HydrophobicContact CG-CB 3.74Å; L243-A247 WeakPolarHBondContact O-CB 3.19Å; L243-A247 PolarHBondContact O-N 3.2Å; P244-A247 PolarHBondContact O-N 2.95Å; A247-L256 HydrophobicContact CB-CD1 4.02Å; A247-L256 HydrophobicContact CB-CD2 3.77Å; A247-Y374 HydrophobicContact CB-CD1 4.27Å; A247-Y374 HydrophobicContact CB-CE1 3.68Å; A247-Y374 VanDerWaalsContact O-CE1 3.27Å; A247-Y374 WeakPolarHBondContact O-CE1 3.17Å; A247-Y374 PolarHBondContact O-OH 3.45Å
248Y89.7Confident91.1Very high164 Ų16450.9 Ų50.964%0.64325%0.245SC*.Hα-helixtrans-78.7-35.6171.1-177.7-101000111.6P244 A245 I246 Y374P244-Y248 WeakPolarHBondContact O-CB 3.42Å; P244-Y248 PolarHBondContact O-N 3.49Å; A245-Y248 PolarHBondContact O-N 3.4Å; I246-Y248 VanDerWaalsContact C-N 3.27Å; I246-Y248 PolarHBondContact O-N 3.29Å; Y248-Y374 HydrophobicContact CD2-CD2 4.1Å; Y248-Y374 HydrophobicContact CD2-CE2 4.22Å; Y248-Y374 HydrophobicContact CD2-CG 4.49Å
249L90Very high91.3Very high142 Ų14247.4 Ų47.474%0.74323%0.233SC*.Hα-helixtrans-77.8-33.4177.3-65.3173.3000112.8A245 I246A245-L249 WeakPolarHBondContact O-CG 3.43Å; A245-L249 PolarHBondContact O-N 3.31Å; I246-L249 PolarHBondContact O-N 3.13Å
250I90.1Very high91.4Very high52 Ų5247.5 Ų47.527%0.26723%0.234SC..  trans-117.9100-178.6-54175000108.6I246 W255 L256 A259I246-I250 HydrophobicContact CG2-CD1 4.19Å; I246-I250 PolarHBondContact O-N 3.18Å; I250-W255 HydrophobicContact CG2-CB 3.56Å; I250-L256 HydrophobicContact CB-CD1 4.48Å; I250-L256 HydrophobicContact CG2-CB 4.09Å; I250-A259 HydrophobicContact CD1-CB 3.62Å
251T85.3Confident91.6Very high46 Ų4647.5 Ų47.528%0.28223%0.234SC..  trans-84.2-19.4-176.852.30000113.7T123T123-T251 WeakPolarHBondContact CG2-OG1 3.43Å; T123-T251 VanDerWaalsContact OG1-C 3.3Å; T123-T251 PolarHBondContact OG1-OG1 3.35Å
252D89.8Confident91.7Very high51 Ų5148.5 Ų48.527%0.27324%0.24SC..BIsolated β-bridgetrans-80123.8176.6-81.2-42.1000111.6T123 S124 R254 W255 L256T123-D252 WeakPolarHBondContact CB-OD1 3.41Å; T123-D252 PolarHBondContact OG1-N 3.16Å; T123-D252 PolarHBondContact OG1-OD1 3.21Å; S124-D252 PolarHBondContact OG-OD1 3.02Å; D252-R254 VanDerWaalsContact C-N 3.27Å; D252-R254 PolarHBondContact O-N 3.43Å; D252-W255 HydrophobicContact CB-CB 4.12Å; D252-W255 HydrophobicContact CB-CG 4.29Å; D252-W255 PolarHBondContact O-N 3.19Å; D252-L256 VanDerWaalsContact O-CB 3.3Å; D252-L256 WeakPolarHBondContact O-CB 3.01Å; D252-L256 PolarHBondContact O-N 3.44Å
253W90.9Very high91.9Very high3 Ų347.3 Ų47.31%0.01124%0.236CC..Hα-helixtrans-61.7-32.2-176.175.8-91.2000113.9V41 S124 T125 I126 D129 W130 F194 T257V41-W253 HydrophobicContact CB-CB 4.29Å; V41-W253 HydrophobicContact CG1-CB 3.76Å; V41-W253 HydrophobicContact CG1-CD2 4.34Å; V41-W253 HydrophobicContact CG1-CE3 3.92Å; V41-W253 HydrophobicContact CG1-CG 4.34Å; V41-W253 HydrophobicContact CG2-CB 4.34Å; S124-W253 PolarHBondContact O-N 2.69Å; T125-W253 VanDerWaalsContact C-CD1 3.41Å; I126-W253 HydrophobicContact CD1-CE3 4.04Å; I126-W253 HydrophobicContact CD1-CZ3 4.21Å; I126-W253 HydrophobicContact CG1-CD2 3.7Å; I126-W253 HydrophobicContact CG1-CE3 3.64Å; I126-W253 HydrophobicContact CG1-CG 4.26Å; I126-W253 HydrophobicContact CG1-CH2 4.26Å; I126-W253 HydrophobicContact CG1-CZ2 4.31Å; I126-W253 HydrophobicContact CG1-CZ3 3.94Å; D129-W253 VanDerWaalsContact CG-NE1 3.34Å; D129-W253 PolarHBondContact OD2-NE1 3.12Å; W130-W253 AromaticContact CH2-CH2 3.75Å; W130-W253 HydrophobicContact CH2-CH2 3.75Å; W130-W253 HydrophobicContact CH2-CZ2 4.25Å; W130-W253 HydrophobicContact CH2-CZ3 4.49Å; W130-W253 HydrophobicContact CZ2-CH2 4.08Å; W130-W253 HydrophobicContact CZ2-CZ2 4.34Å; F194-W253 HydrophobicContact CD2-CZ3 4.23Å; F194-W253 HydrophobicContact CE2-CZ3 4.17Å; W253-T257 WeakPolarHBondContact O-CB 3.36Å; W253-T257 PolarHBondContact O-N 3.08Å; W253-T257 PolarHBondContact O-OG1 3.13Å
254R93.6Very high92Very high96 Ų9647.3 Ų47.336%0.36224%0.236SC..Hα-helixtrans-68.4-51177.3-64.5-173.1172.4-140.6-6.3111.1A186 D252 L256 T257 L258A186-R254 WeakPolarHBondContact CB-O 3.44Å; A186-R254 WeakPolarHBondContact O-CG 3Å; D252-R254 VanDerWaalsContact C-N 3.27Å; D252-R254 PolarHBondContact O-N 3.43Å; R254-L256 VanDerWaalsContact C-N 3.33Å; R254-L256 PolarHBondContact O-N 3.5Å; R254-T257 PolarHBondContact O-N 2.76Å; R254-L258 WeakPolarHBondContact O-CB 3.4Å; R254-L258 PolarHBondContact O-N 3.42Å
255W94Very high92.2Very high163 Ų16351 Ų5162%0.61725%0.25SS*.Hα-helixtrans-64.9-38177.5-71.4108.4000111.7I250 D252 L258 A259I250-W255 HydrophobicContact CG2-CB 3.56Å; D252-W255 HydrophobicContact CB-CB 4.12Å; D252-W255 HydrophobicContact CB-CG 4.29Å; D252-W255 PolarHBondContact O-N 3.19Å; W255-L258 HydrophobicContact CE3-CD2 4.37Å; W255-L258 PolarHBondContact O-N 3.1Å; W255-A259 VanDerWaalsContact O-CB 3.28Å; W255-A259 WeakPolarHBondContact O-CB 3.29Å; W255-A259 PolarHBondContact O-N 3.04Å
256L92.9Very high92.3Very high5 Ų552.6 Ų52.63%0.02625%0.254CS..Hα-helixtrans-63.5-45.2175.5-179.460000111.4L37 F40 V41 I246 A247 I250 D252 R254 L258 A259 V260L37-L256 HydrophobicContact CD1-CD2 4.14Å; L37-L256 HydrophobicContact CD1-CG 3.95Å; F40-L256 HydrophobicContact CB-CD2 3.95Å; V41-L256 HydrophobicContact CG2-CD2 4Å; I246-L256 HydrophobicContact CG2-CD1 3.78Å; A247-L256 HydrophobicContact CB-CD1 4.02Å; A247-L256 HydrophobicContact CB-CD2 3.77Å; I250-L256 HydrophobicContact CB-CD1 4.48Å; I250-L256 HydrophobicContact CG2-CB 4.09Å; D252-L256 VanDerWaalsContact O-CB 3.3Å; D252-L256 WeakPolarHBondContact O-CB 3.01Å; D252-L256 PolarHBondContact O-N 3.44Å; R254-L256 VanDerWaalsContact C-N 3.33Å; R254-L256 PolarHBondContact O-N 3.5Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 3.11Å; L256-A259 PolarHBondContact O-N 3.35Å; L256-V260 WeakPolarHBondContact O-CG2 3.16Å; L256-V260 PolarHBondContact O-N 3.37Å; L256-V260 VanDerWaalsContact O-N 3.16Å
257T93.2Very high92.4Very high1 Ų151.8 Ų51.81%0.00625%0.25CC..Hα-helixtrans-61.8-41.4176-58.70000111L37 G182 A185 A186 W253 R254 S261L37-T257 HydrophobicContact CD2-CG2 4.2Å; G182-T257 WeakPolarHBondContact O-CG2 3.47Å; A185-T257 HydrophobicContact CB-CG2 4.36Å; A186-T257 HydrophobicContact CB-CG2 4.08Å; W253-T257 WeakPolarHBondContact O-CB 3.36Å; W253-T257 PolarHBondContact O-N 3.08Å; W253-T257 PolarHBondContact O-OG1 3.13Å; R254-T257 PolarHBondContact O-N 2.76Å; T257-S261 WeakPolarHBondContact O-CB 3.49Å; T257-S261 PolarHBondContact O-N 3Å; T257-S261 VanDerWaalsContact O-N 3.12Å; T257-S261 PolarHBondContact O-OG 3.33Å
258L94.3Very high92.6Very high29 Ų2953.4 Ų53.415%0.15226%0.256CS..Hα-helixtrans-67.5-44.1178.1-172.9141.5000112A186 F187 R254 W255 L256 V260 S261 L262A186-L258 HydrophobicContact CB-CB 4.21Å; F187-L258 HydrophobicContact CE2-CD1 3.87Å; F187-L258 HydrophobicContact CZ-CD1 3.84Å; R254-L258 WeakPolarHBondContact O-CB 3.4Å; R254-L258 PolarHBondContact O-N 3.42Å; W255-L258 HydrophobicContact CE3-CD2 4.37Å; W255-L258 PolarHBondContact O-N 3.1Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 3.11Å; L258-V260 VanDerWaalsContact C-N 3.29Å; L258-V260 PolarHBondContact O-N 3.24Å; L258-S261 PolarHBondContact O-N 3.47Å; L258-S261 VanDerWaalsContact O-N 3.08Å; L258-L262 HydrophobicContact CD2-CD1 3.37Å; L258-L262 HydrophobicContact CD2-CG 3.77Å; L258-L262 HydrophobicContact CG-CD1 4.19Å; L258-L262 HydrophobicContact CG-CG 4.05Å; L258-L262 WeakPolarHBondContact O-CG 3.42Å; L258-L262 PolarHBondContact O-N 2.98Å
259A94Very high92.8Very high34 Ų3450.4 Ų50.428%0.28125%0.251SS..Hα-helixtrans-59.9-36.9178.200000112.8I250 W255 L256 P263I250-A259 HydrophobicContact CD1-CB 3.62Å; W255-A259 VanDerWaalsContact O-CB 3.28Å; W255-A259 WeakPolarHBondContact O-CB 3.29Å; W255-A259 PolarHBondContact O-N 3.04Å; L256-A259 PolarHBondContact O-N 3.35Å; A259-P263 WeakPolarHBondContact O-CD 3.44Å
260V92.9Very high92.8Very high1 Ų146.1 Ų46.11%0.00623%0.228CC..Hα-helixtrans-77-30.1176.4178.40000112S33 L37 L243 L256 L258 F264S33-V260 VanDerWaalsContact CB-CG1 3.48Å; L37-V260 HydrophobicContact CD1-CG2 4.37Å; L243-V260 HydrophobicContact CD1-CG2 4.35Å; L256-V260 WeakPolarHBondContact O-CG2 3.16Å; L256-V260 PolarHBondContact O-N 3.37Å; L256-V260 VanDerWaalsContact O-N 3.16Å; L258-V260 VanDerWaalsContact C-N 3.29Å; L258-V260 PolarHBondContact O-N 3.24Å; V260-F264 WeakPolarHBondContact O-CD2 3.23Å; V260-F264 WeakPolarHBondContact O-CE2 3.39Å
261S94.3Very high92.7Very high0 Ų043.7 Ų43.70%022%0.216CC..Hα-helixtrans-85.1-37.1-175.9-53.50000113.9H34 G182 T257 L258 P263 F264H34-S261 PolarHBondContact CE1-OG 2.63Å; H34-S261 VanDerWaalsContact CE1-OG 3.27Å; G182-S261 VanDerWaalsContact CA-OG 3.27Å; G182-S261 WeakPolarHBondContact CA-OG 3.22Å; T257-S261 WeakPolarHBondContact O-CB 3.49Å; T257-S261 PolarHBondContact O-N 3Å; T257-S261 VanDerWaalsContact O-N 3.12Å; T257-S261 PolarHBondContact O-OG 3.33Å; L258-S261 PolarHBondContact O-N 3.47Å; L258-S261 VanDerWaalsContact O-N 3.08Å; S261-P263 VanDerWaalsContact C-CD 3.48Å; S261-F264 WeakPolarHBondContact O-CB 3.47Å; S261-F264 PolarHBondContact O-N 3Å; S261-F264 VanDerWaalsContact O-N 3.1Å
262L94Very high92.9Very high80 Ų8048.5 Ų48.542%0.41923%0.229SC..THydrogen-bonded Turntrans-56.8-40.8-175.6-78.8-175.1000114.5L258 F264 Y265L258-L262 HydrophobicContact CD2-CD1 3.37Å; L258-L262 HydrophobicContact CD2-CG 3.77Å; L258-L262 HydrophobicContact CG-CD1 4.19Å; L258-L262 HydrophobicContact CG-CG 4.05Å; L258-L262 WeakPolarHBondContact O-CG 3.42Å; L258-L262 PolarHBondContact O-N 2.98Å; L262-F264 PolarHBondContact O-N 3.1Å; L262-F264 VanDerWaalsContact O-N 3.09Å; L262-Y265 HydrophobicContact CD2-CD2 4.08Å; L262-Y265 HydrophobicContact CD2-CE2 4.17Å; L262-Y265 WeakPolarHBondContact O-CB 3.45Å; L262-Y265 PolarHBondContact O-N 2.83Å
263P94.6Very high93Very high37 Ų3750.5 Ų50.524%0.2423%0.233CC..Hα-helixtrans-57.1-25.6177.6-28.737.5000114.1L30 A259 S261 Y265 V266 F267L30-P263 HydrophobicContact CD1-CB 3.35Å; L30-P263 HydrophobicContact CD1-CG 3.64Å; A259-P263 WeakPolarHBondContact O-CD 3.44Å; S261-P263 VanDerWaalsContact C-CD 3.48Å; P263-Y265 VanDerWaalsContact C-N 3.26Å; P263-Y265 PolarHBondContact O-N 2.96Å; P263-V266 WeakPolarHBondContact O-CB 3.32Å; P263-V266 PolarHBondContact O-N 3.35Å; P263-F267 HydrophobicContact CB-CE2 4.04Å; P263-F267 HydrophobicContact CB-CZ 4.05Å; P263-F267 WeakPolarHBondContact O-CD2 3.27Å; P263-F267 WeakPolarHBondContact O-CG 3.35Å; P263-F267 PolarHBondContact O-N 3.21Å
264F94.4Very high92.8Very high0 Ų050.7 Ų50.70%023%0.233CC..Hα-helixtrans-68.3-21.6177.7-71.1-87.2000113.5P27 L30 H34 M178 A179 L208 V260 S261 L262 F267 F268P27-F264 HydrophobicContact CB-CE1 4.39Å; L30-F264 HydrophobicContact CB-CE2 4Å; L30-F264 HydrophobicContact CB-CZ 3.93Å; H34-F264 AromaticContact CD2-CE2 3.31Å; H34-F264 WeakPolarHBondContact CD2-CE2 3.48Å; H34-F264 AromaticContact CD2-CZ 3.85Å; H34-F264 AromaticContact NE2-CD2 3.71Å; H34-F264 AromaticContact NE2-CE2 3.43Å; H34-F264 WeakPolarHBondContact NE2-CE2 3.4Å; M178-F264 HydrophobicContact CB-CB 4.47Å; M178-F264 HydrophobicContact CB-CD1 4.16Å; M178-F264 HydrophobicContact CB-CG 4.22Å; M178-F264 HydrophobicContact CG-CB 4.42Å; M178-F264 HydrophobicContact CG-CD1 3.9Å; M178-F264 HydrophobicContact CG-CD2 3.89Å; M178-F264 HydrophobicContact CG-CE1 4.12Å; M178-F264 HydrophobicContact CG-CE2 4.12Å; M178-F264 HydrophobicContact CG-CG 3.79Å; M178-F264 HydrophobicContact CG-CZ 4.22Å; A179-F264 HydrophobicContact CB-CB 3.83Å; L208-F264 HydrophobicContact CD1-CD1 4.03Å; L208-F264 HydrophobicContact CD1-CE1 3.71Å; V260-F264 WeakPolarHBondContact O-CD2 3.23Å; V260-F264 WeakPolarHBondContact O-CE2 3.39Å; S261-F264 WeakPolarHBondContact O-CB 3.47Å; S261-F264 PolarHBondContact O-N 3Å; S261-F264 VanDerWaalsContact O-N 3.1Å; L262-F264 PolarHBondContact O-N 3.1Å; L262-F264 VanDerWaalsContact O-N 3.09Å; F264-F267 AromaticContact CD1-CD2 3.79Å; F264-F267 HydrophobicContact CD1-CD2 3.79Å; F264-F267 HydrophobicContact CD1-CE2 4.45Å; F264-F267 HydrophobicContact CE1-CD2 4.09Å; F264-F267 HydrophobicContact CE1-CE2 4.43Å; F264-F267 HydrophobicContact CG-CD2 4.12Å; F264-F267 PolarHBondContact O-N 2.96Å; F264-F268 WeakPolarHBondContact O-CB 3.46Å; F264-F268 PolarHBondContact O-N 2.92Å
265Y95.3Very high92.4Very high82 Ų8247.8 Ų47.832%0.32222%0.224SC..Hα-helixtrans-66.3-40.4168.2-73.5-73.5000111.4A179 V180 L262 P263 F268 L269A179-Y265 HydrophobicContact CB-CD1 3.86Å; A179-Y265 HydrophobicContact CB-CD2 3.83Å; A179-Y265 HydrophobicContact CB-CE1 3.81Å; A179-Y265 HydrophobicContact CB-CE2 3.78Å; A179-Y265 HydrophobicContact CB-CG 3.86Å; V180-Y265 HydrophobicContact CG2-CE1 4.41Å; L262-Y265 HydrophobicContact CD2-CD2 4.08Å; L262-Y265 HydrophobicContact CD2-CE2 4.17Å; L262-Y265 WeakPolarHBondContact O-CB 3.45Å; L262-Y265 PolarHBondContact O-N 2.83Å; P263-Y265 VanDerWaalsContact C-N 3.26Å; P263-Y265 PolarHBondContact O-N 2.96Å; Y265-F268 WeakPolarHBondContact O-CB 3.28Å; Y265-F268 PolarHBondContact O-N 2.98Å; Y265-L269 WeakPolarHBondContact O-CG 3.42Å; Y265-L269 PolarHBondContact O-N 3.14Å; Y265-L269 VanDerWaalsContact O-N 3.16Å
266V94.5Very high92.1Very high82 Ų8241 Ų4150%0.49720%0.199SC..Hα-helixtrans-66.6-42.4175.6-1770000109.9P263 F268 L269 I270P263-V266 WeakPolarHBondContact O-CB 3.32Å; P263-V266 PolarHBondContact O-N 3.35Å; V266-F268 VanDerWaalsContact C-N 3.31Å; V266-F268 PolarHBondContact O-N 3.12Å; V266-L269 PolarHBondContact O-N 3.1Å; V266-L269 VanDerWaalsContact O-N 3.16Å; V266-I270 HydrophobicContact CG1-CD1 3.99Å; V266-I270 WeakPolarHBondContact O-CG1 3.37Å; V266-I270 PolarHBondContact O-N 3.26Å
267F92.6Very high91.8Very high19 Ų1940.9 Ų40.98%0.08320%0.198CC..Hα-helixtrans-64.7-34.4176.1-56-28.1000112.9T26 P27 L30 N175 P263 F264 I270 A271T26-F267 HydrophobicContact CG2-CD1 4.31Å; T26-F267 HydrophobicContact CG2-CE1 3.39Å; T26-F267 HydrophobicContact CG2-CZ 3.71Å; P27-F267 HydrophobicContact CB-CB 4.43Å; P27-F267 HydrophobicContact CB-CD2 3.69Å; P27-F267 HydrophobicContact CB-CE2 4.14Å; P27-F267 HydrophobicContact CB-CG 4.12Å; L30-F267 HydrophobicContact CB-CE2 4.3Å; L30-F267 HydrophobicContact CD1-CE2 3.75Å; L30-F267 HydrophobicContact CD1-CZ 3.78Å; L30-F267 HydrophobicContact CG-CE2 4.4Å; N175-F267 WeakPolarHBondContact OD1-CB 3.43Å; P263-F267 HydrophobicContact CB-CE2 4.04Å; P263-F267 HydrophobicContact CB-CZ 4.05Å; P263-F267 WeakPolarHBondContact O-CD2 3.27Å; P263-F267 WeakPolarHBondContact O-CG 3.35Å; P263-F267 PolarHBondContact O-N 3.21Å; F264-F267 AromaticContact CD1-CD2 3.79Å; F264-F267 HydrophobicContact CD1-CD2 3.79Å; F264-F267 HydrophobicContact CD1-CE2 4.45Å; F264-F267 HydrophobicContact CE1-CD2 4.09Å; F264-F267 HydrophobicContact CE1-CE2 4.43Å; F264-F267 HydrophobicContact CG-CD2 4.12Å; F264-F267 PolarHBondContact O-N 2.96Å; F267-I270 HydrophobicContact CD1-CD1 4.38Å; F267-I270 PolarHBondContact O-N 3Å; F267-A271 WeakPolarHBondContact O-CB 3.22Å; F267-A271 PolarHBondContact O-N 3.16Å
268F93.9Very high91.3Very high35 Ų3540.9 Ų40.915%0.15420%0.199CC..Hα-helixtrans-59.8-44.9171.2171.2-101.2000111.8L172 N175 L176 F264 Y265 V266 A271 W272L172-F268 HydrophobicContact CB-CE2 4.29Å; L172-F268 HydrophobicContact CD2-CD2 4.02Å; L172-F268 HydrophobicContact CD2-CE2 3.97Å; L172-F268 WeakPolarHBondContact O-CD2 3.07Å; N175-F268 HydrophobicContact CB-CB 4.02Å; N175-F268 HydrophobicContact CB-CD2 4.49Å; L176-F268 HydrophobicContact CB-CD2 3.82Å; L176-F268 HydrophobicContact CB-CE2 3.94Å; L176-F268 HydrophobicContact CD2-CE2 4.33Å; L176-F268 HydrophobicContact CD2-CZ 4.5Å; F264-F268 WeakPolarHBondContact O-CB 3.46Å; F264-F268 PolarHBondContact O-N 2.92Å; Y265-F268 WeakPolarHBondContact O-CB 3.28Å; Y265-F268 PolarHBondContact O-N 2.98Å; V266-F268 VanDerWaalsContact C-N 3.31Å; V266-F268 PolarHBondContact O-N 3.12Å; F268-A271 WeakPolarHBondContact O-CB 3.44Å; F268-A271 PolarHBondContact O-N 2.93Å; F268-W272 HydrophobicContact CE1-CH2 4.49Å; F268-W272 AromaticContact CE1-CZ2 3.94Å; F268-W272 HydrophobicContact CE1-CZ2 3.94Å; F268-W272 AromaticContact CZ-CZ2 3.96Å; F268-W272 HydrophobicContact CZ-CZ2 3.96Å; F268-W272 AromaticContact CZ-NE1 3.99Å
269L93.5Very high90.8Very high100 Ų10042.4 Ų42.452%0.52420%0.202SC..Hα-helixtrans-65.3-43176.6-64.3175000111.9Y265 V266 A271 W272Y265-L269 WeakPolarHBondContact O-CG 3.42Å; Y265-L269 PolarHBondContact O-N 3.14Å; Y265-L269 VanDerWaalsContact O-N 3.16Å; V266-L269 PolarHBondContact O-N 3.1Å; V266-L269 VanDerWaalsContact O-N 3.16Å; L269-A271 PolarHBondContact O-N 3.06Å; L269-W272 HydrophobicContact CD2-CE3 4.42Å; L269-W272 HydrophobicContact CD2-CZ3 4.11Å; L269-W272 PolarHBondContact O-N 3.33Å
270I89.9Confident90.3Very high53 Ų5341.4 Ų41.427%0.27219%0.191SC..Hα-helixtrans-61.9-36.6174.8-68169.7000110.4L23 V266 F267 W272 W273 F274L23-I270 HydrophobicContact CB-CG2 4.3Å; L23-I270 HydrophobicContact CD1-CG2 4.33Å; L23-I270 HydrophobicContact CD2-CG2 3.99Å; L23-I270 HydrophobicContact CG-CG2 4.44Å; V266-I270 HydrophobicContact CG1-CD1 3.99Å; V266-I270 WeakPolarHBondContact O-CG1 3.37Å; V266-I270 PolarHBondContact O-N 3.26Å; F267-I270 HydrophobicContact CD1-CD1 4.38Å; F267-I270 PolarHBondContact O-N 3Å; I270-W272 PolarHBondContact O-N 3.46Å; I270-W272 VanDerWaalsContact O-N 3.16Å; I270-W273 VanDerWaalsContact O-CB 3.31Å; I270-W273 WeakPolarHBondContact O-CB 3.2Å; I270-W273 PolarHBondContact O-N 3.42Å; I270-F274 HydrophobicContact CG2-CZ 4.31Å
271A89.6Confident89.9Confident0 Ų041.7 Ų41.70%019%0.193CC..Hα-helixtrans-65.5-19.6-176.800000114.1L171 L172 F267 F268 L269 W273 F274L171-A271 HydrophobicContact CD2-CB 3.42Å; L171-A271 VanDerWaalsContact CD2-CB 3.42Å; L172-A271 HydrophobicContact CD2-CB 3.53Å; L172-A271 HydrophobicContact CG-CB 4.28Å; F267-A271 WeakPolarHBondContact O-CB 3.22Å; F267-A271 PolarHBondContact O-N 3.16Å; F268-A271 WeakPolarHBondContact O-CB 3.44Å; F268-A271 PolarHBondContact O-N 2.93Å; L269-A271 PolarHBondContact O-N 3.06Å; A271-W273 PolarHBondContact O-N 2.81Å; A271-F274 VanDerWaalsContact CA-CD2 3.4Å; A271-F274 HydrophobicContact CB-CD2 3.89Å; A271-F274 HydrophobicContact CB-CE2 4.04Å; A271-F274 PolarHBondContact O-N 3.39Å
272W89.6Confident89.4Confident147 Ų14742.2 Ų42.256%0.55720%0.197SC*.THydrogen-bonded Turntrans-64.5-26.3170.9-80.3-18.4000113.1R168 L172 F268 L269 I270 F274R168-W272 PolarHBondContact NH2-O 3.23Å; L172-W272 HydrophobicContact CD2-CG 4.24Å; F268-W272 HydrophobicContact CE1-CH2 4.49Å; F268-W272 AromaticContact CE1-CZ2 3.94Å; F268-W272 HydrophobicContact CE1-CZ2 3.94Å; F268-W272 AromaticContact CZ-CZ2 3.96Å; F268-W272 HydrophobicContact CZ-CZ2 3.96Å; F268-W272 AromaticContact CZ-NE1 3.99Å; L269-W272 HydrophobicContact CD2-CE3 4.42Å; L269-W272 HydrophobicContact CD2-CZ3 4.11Å; L269-W272 PolarHBondContact O-N 3.33Å; I270-W272 PolarHBondContact O-N 3.46Å; I270-W272 VanDerWaalsContact O-N 3.16Å; W272-F274 VanDerWaalsContact C-N 3.32Å; W272-F274 PolarHBondContact O-N 3.33Å
273W89.9Confident88.8Confident94 Ų9440.5 Ų40.536%0.35619%0.188SC..THydrogen-bonded Turntrans-73.7-22.5178-175.883.7000113.3F16 L19 L23 I270 A271 H275 F300F16-W273 AromaticContact CD2-CH2 3.82Å; F16-W273 HydrophobicContact CD2-CH2 3.82Å; F16-W273 HydrophobicContact CD2-CZ2 4.31Å; F16-W273 AromaticContact CE2-CH2 3.62Å; F16-W273 HydrophobicContact CE2-CH2 3.62Å; F16-W273 HydrophobicContact CE2-CZ2 4.14Å; F16-W273 HydrophobicContact CE2-CZ3 4.22Å; L19-W273 HydrophobicContact CD2-CH2 3.84Å; L19-W273 HydrophobicContact CD2-CZ2 4.11Å; L19-W273 HydrophobicContact CG-CH2 4.31Å; L23-W273 HydrophobicContact CD1-CE3 3.9Å; L23-W273 HydrophobicContact CD1-CZ3 3.93Å; I270-W273 VanDerWaalsContact O-CB 3.31Å; I270-W273 WeakPolarHBondContact O-CB 3.2Å; I270-W273 PolarHBondContact O-N 3.42Å; A271-W273 PolarHBondContact O-N 2.81Å; W273-H275 PolarHBondContact O-N 3.38Å; W273-H275 PolarHBondContact O-ND1 2.74Å; W273-F300 HydrophobicContact CZ2-CE2 4.29Å; W273-F300 HydrophobicContact CZ2-CZ 4.26Å
274F87.1Confident88.1Confident6 Ų641.6 Ų41.63%0.02619%0.191CC..PPolyproline II helixtrans-64.3138.7-176.2-66.5-49.6000112.4H20 L23 L24 R168 L171 I270 A271 W272H20-F274 AromaticContact CE1-CD1 3.39Å; H20-F274 WeakPolarHBondContact CE1-CD1 3.3Å; H20-F274 AromaticContact ND1-CD1 3.38Å; H20-F274 WeakPolarHBondContact ND1-CD1 3.46Å; H20-F274 AromaticContact ND1-CE1 3.88Å; L23-F274 HydrophobicContact CB-CE1 3.75Å; L23-F274 HydrophobicContact CB-CZ 3.73Å; L23-F274 HydrophobicContact CD1-CE1 4.46Å; L24-F274 HydrophobicContact CD2-CD1 4.33Å; L24-F274 HydrophobicContact CD2-CD2 3.97Å; L24-F274 HydrophobicContact CD2-CE1 3.87Å; L24-F274 HydrophobicContact CD2-CE2 3.51Å; L24-F274 HydrophobicContact CD2-CG 4.39Å; L24-F274 HydrophobicContact CD2-CZ 3.44Å; L24-F274 VanDerWaalsContact CD2-CZ 3.44Å; L24-F274 HydrophobicContact CG-CD1 4.35Å; L24-F274 HydrophobicContact CG-CE1 3.7Å; L24-F274 HydrophobicContact CG-CE2 4.24Å; L24-F274 HydrophobicContact CG-CZ 3.65Å; R168-F274 WeakPolarHBondContact CD-O 3.11Å; R168-F274 PolarHBondContact NE-O 3.16Å; L171-F274 HydrophobicContact CD2-CD2 4Å; L171-F274 HydrophobicContact CD2-CE2 4.17Å; I270-F274 HydrophobicContact CG2-CZ 4.31Å; A271-F274 VanDerWaalsContact CA-CD2 3.4Å; A271-F274 HydrophobicContact CB-CD2 3.89Å; A271-F274 HydrophobicContact CB-CE2 4.04Å; A271-F274 PolarHBondContact O-N 3.39Å; W272-F274 VanDerWaalsContact C-N 3.32Å; W272-F274 PolarHBondContact O-N 3.33Å
275H85.7Confident87.5Confident36 Ų3647.6 Ų47.617%0.16722%0.224CC..PPolyproline II helixtrans-84.3142.8173-70.359.2000109.7F16 W219 W273 M293 S296F16-H275 AromaticContact CE2-ND1 3.84Å; F16-H275 HydrophobicContact CZ-CB 4.31Å; F16-H275 AromaticContact CZ-ND1 3.92Å; W219-H275 HydrophobicContact CZ2-CB 3.94Å; W273-H275 PolarHBondContact O-N 3.38Å; W273-H275 PolarHBondContact O-ND1 2.74Å; H275-M293 HydrophobicContact CB-SD 4.31Å; H275-M293 VanDerWaalsContact CD2-SD 3.55Å; H275-S296 PolarHBondContact NE2-OG 3.37Å
276E88.5Confident87Confident21 Ų2148.4 Ų48.410%0.09823%0.229CC..PPolyproline II helixtrans-67.8152.4172.8-17159.4-91.300110.3G166 R167 R168 W219 S278 W280 L281G166-E276 WeakPolarHBondContact CA-OE2 3.31Å; R167-E276 PolarHBondContact N-OE1 3.12Å; R167-E276 PolarHBondContact N-OE2 3.24Å; R168-E276 HydrophobicContact CB-CB 4.43Å; R168-E276 VanDerWaalsContact CB-OE2 3.25Å; R168-E276 WeakPolarHBondContact CB-OE2 3.42Å; R168-E276 PolarHBondContact N-OE1 3.49Å; R168-E276 PolarHBondContact N-OE2 3.43Å; R168-E276 VanDerWaalsContact N-OE2 3.1Å; W219-E276 WeakPolarHBondContact CZ2-O 3.37Å; E276-S278 PolarHBondContact O-N 2.9Å; E276-W280 HydrophobicContact CG-CE3 3.82Å; E276-W280 HydrophobicContact CG-CZ3 4.11Å; E276-L281 HydrophobicContact CB-CD1 4.37Å; E276-L281 HydrophobicContact CG-CD1 4.42Å; E276-L281 HydrophobicContact CG-CD2 4.41Å; E276-L281 HydrophobicContact CG-CG 4.25Å
277S85.4Confident86.6Confident1 Ų145.6 Ų45.61%0.00721%0.213CC..PPolyproline II helixtrans-62122.6-179.3171.30000112.9E218 R279 W280 L281E218-S277 WeakPolarHBondContact OE2-CB 3.43Å; E218-S277 PolarHBondContact OE2-OG 3.47Å; S277-R279 VanDerWaalsContact C-N 3.25Å; S277-R279 PolarHBondContact O-N 3.3Å; S277-R279 PolarHBondContact OG-N 2.89Å; S277-W280 WeakPolarHBondContact O-CB 3.49Å; S277-W280 PolarHBondContact O-N 2.95Å; S277-W280 PolarHBondContact OG-N 3.42Å; S277-W280 VanDerWaalsContact OG-N 3.16Å; S277-L281 WeakPolarHBondContact O-CG 3.44Å; S277-L281 PolarHBondContact O-N 2.88Å
278S83.7Confident86.3Confident2 Ų252.1 Ų52.11%0.01424%0.243CC..Hα-helixtrans-64.2-33175.9-590000112W219 E276 A282 A290W219-S278 WeakPolarHBondContact CH2-OG 3.37Å; E276-S278 PolarHBondContact O-N 2.9Å; S278-A282 PolarHBondContact O-N 3.02Å; S278-A290 WeakPolarHBondContact O-CB 3.49Å
279R82.4Confident85.9Confident61 Ų6155.4 Ų55.423%0.2326%0.259CS..Hα-helixtrans-67.8-45.5176.5-170-178-179.3-171.6-0.5111.2F3 S277 A282 I283 M319 E322F3-R279 HydrophobicContact CD1-CB 4.47Å; F3-R279 HydrophobicContact CD1-CG 4.47Å; F3-R279 HydrophobicContact CE1-CB 3.91Å; F3-R279 HydrophobicContact CE1-CG 4.39Å; F3-R279 HydrophobicContact CE2-CB 4.25Å; F3-R279 HydrophobicContact CZ-CB 3.79Å; S277-R279 VanDerWaalsContact C-N 3.25Å; S277-R279 PolarHBondContact O-N 3.3Å; S277-R279 PolarHBondContact OG-N 2.89Å; R279-A282 PolarHBondContact O-N 3.21Å; R279-I283 HydrophobicContact CG-CD1 4.29Å; R279-I283 WeakPolarHBondContact O-CG1 3.18Å; R279-I283 PolarHBondContact O-N 3.1Å; R279-I283 VanDerWaalsContact O-N 3.15Å; R279-M319 HydrophobicContact CG-CE 3.72Å; R279-E322 IonicContact CZ-OE1 3.76Å; R279-E322 IonicContact CZ-OE2 3.27Å; R279-E322 VanDerWaalsContact CZ-OE2 3.23Å; R279-E322 IonicContact NE-OE1 3.34Å; R279-E322 IonicContact NE-OE2 2.9Å; R279-E322 PolarHBondContact NE-OE2 3.28Å; R279-E322 IonicContact NH2-OE1 3.77Å; R279-E322 PolarHBondContact NH2-OE1 3.48Å; R279-E322 IonicContact NH2-OE2 3.93Å; R279-E322 PolarHBondContact NH2-OE2 3.45Å
280W84.8Confident85.6Confident13 Ų1350.6 Ų50.65%0.04923%0.234CC..Hα-helixtrans-59.8-47.5176.5-174.865.3000112.6D163 R164 Y165 R167 E276 S277 A282 I283 N284D163-W280 PolarHBondContact O-NE1 3.2Å; R164-W280 WeakPolarHBondContact O-CZ2 3.37Å; Y165-W280 VanDerWaalsContact C-CZ2 3.45Å; Y165-W280 WeakPolarHBondContact O-CH2 3.42Å; R167-W280 VanDerWaalsContact NE-CD1 3.34Å; R167-W280 VanDerWaalsContact NH2-CD1 3.31Å; E276-W280 HydrophobicContact CG-CE3 3.82Å; E276-W280 HydrophobicContact CG-CZ3 4.11Å; S277-W280 WeakPolarHBondContact O-CB 3.49Å; S277-W280 PolarHBondContact O-N 2.95Å; S277-W280 PolarHBondContact OG-N 3.42Å; S277-W280 VanDerWaalsContact OG-N 3.16Å; W280-A282 PolarHBondContact O-N 3.41Å; W280-I283 PolarHBondContact O-N 3.32Å; W280-I283 VanDerWaalsContact O-N 3.16Å; W280-N284 HydrophobicContact CZ2-CB 4.48Å; W280-N284 WeakPolarHBondContact CZ2-ND2 3.34Å; W280-N284 PolarHBondContact NE1-ND2 2.8Å; W280-N284 PolarHBondContact O-N 2.84Å
281L84.2Confident85.4Confident7 Ų748.7 Ų48.74%0.03722%0.224CC..Hα-helixtrans-59.4-38.4-179.5-74.5169.4000111.7E276 S277 K286 Q289 A290 M293E276-L281 HydrophobicContact CB-CD1 4.37Å; E276-L281 HydrophobicContact CG-CD1 4.42Å; E276-L281 HydrophobicContact CG-CD2 4.41Å; E276-L281 HydrophobicContact CG-CG 4.25Å; S277-L281 WeakPolarHBondContact O-CG 3.44Å; S277-L281 PolarHBondContact O-N 2.88Å; L281-K286 HydrophobicContact CD2-CB 4.21Å; L281-K286 HydrophobicContact CD2-CD 4.28Å; L281-K286 CarbonylContact O-C 3.53Å; L281-K286 WeakPolarHBondContact O-CA 3.48Å; L281-K286 PolarHBondContact O-N 3.44Å; L281-Q289 HydrophobicContact CD1-CB 4.19Å; L281-Q289 HydrophobicContact CD2-CB 4.24Å; L281-A290 HydrophobicContact CB-CB 3.73Å; L281-M293 HydrophobicContact CD1-CG 3.95Å
282A83.8Confident85.4Confident10 Ų1055.4 Ų55.48%0.08325%0.254CS..Hα-helixtrans-69.3-39.117700000112.9S278 R279 W280 A290 L315 M319S278-A282 PolarHBondContact O-N 3.02Å; R279-A282 PolarHBondContact O-N 3.21Å; W280-A282 PolarHBondContact O-N 3.41Å; A282-A290 HydrophobicContact CB-CB 4.37Å; A282-L315 HydrophobicContact CB-CD2 4.1Å; A282-L315 HydrophobicContact CB-CG 4.33Å; A282-M319 HydrophobicContact CB-CE 3.77Å; A282-M319 HydrophobicContact CB-SD 3.23Å; A282-M319 WeakPolarHBondContact CB-SD 3.18Å
283I80.8Confident85.2Confident45 Ų4550.3 Ų50.323%0.23124%0.237CC..Hα-helixtrans-68.4-39.5176.4-66.6169.5000111R279 W280 N285 M319R279-I283 HydrophobicContact CG-CD1 4.29Å; R279-I283 WeakPolarHBondContact O-CG1 3.18Å; R279-I283 PolarHBondContact O-N 3.1Å; R279-I283 VanDerWaalsContact O-N 3.15Å; W280-I283 PolarHBondContact O-N 3.32Å; W280-I283 VanDerWaalsContact O-N 3.16Å; I283-N285 PolarHBondContact O-N 3.16Å; I283-N285 VanDerWaalsContact O-N 3.12Å; I283-M319 HydrophobicContact CD1-CE 4.12Å; I283-M319 HydrophobicContact CG1-CE 3.65Å
284N81Confident85Confident59 Ų5945.9 Ų45.932%0.31622%0.22SC..THydrogen-bonded Turntrans-84.931.8-179.4-85.6-17000114.4D163 W280 K286D163-N284 PolarHBondContact O-ND2 2.76Å; D163-N284 VanDerWaalsContact O-ND2 3.11Å; W280-N284 HydrophobicContact CZ2-CB 4.48Å; W280-N284 WeakPolarHBondContact CZ2-ND2 3.34Å; W280-N284 PolarHBondContact NE1-ND2 2.8Å; W280-N284 PolarHBondContact O-N 2.84Å; N284-K286 PolarHBondContact O-N 3.03Å; N284-K286 VanDerWaalsContact O-N 3.14Å
285N81.4Confident85Confident127 Ų12748.6 Ų48.668%0.67923%0.232SC*.THydrogen-bonded Turntrans56.327.8175.1-64.5-40.5000115I283 P287I283-N285 PolarHBondContact O-N 3.16Å; I283-N285 VanDerWaalsContact O-N 3.12Å; N285-P287 VanDerWaalsContact O-CD 3.26Å; N285-P287 WeakPolarHBondContact O-CD 3.43Å
286K85.4Confident85Confident98 Ų9848.4 Ų48.443%0.42624%0.235SC..  trans-116.457.4173.9-64179-175.4176.80112L281 N284 E288 Q289 A290L281-K286 HydrophobicContact CD2-CB 4.21Å; L281-K286 HydrophobicContact CD2-CD 4.28Å; L281-K286 CarbonylContact O-C 3.53Å; L281-K286 WeakPolarHBondContact O-CA 3.48Å; L281-K286 PolarHBondContact O-N 3.44Å; N284-K286 PolarHBondContact O-N 3.03Å; N284-K286 VanDerWaalsContact O-N 3.14Å; K286-E288 VanDerWaalsContact C-N 3.32Å; K286-E288 PolarHBondContact O-N 3.37Å; K286-Q289 HydrophobicContact CB-CB 4.46Å; K286-Q289 PolarHBondContact O-N 3.32Å; K286-A290 PolarHBondContact O-N 3.43Å
287P85.1Confident84.9Confident24 Ų2447.5 Ų47.516%0.15623%0.23CC..Hα-helixtrans-67.8-29.3-17229.3-36.7000113.6N285 A290 V291 V312N285-P287 VanDerWaalsContact O-CD 3.26Å; N285-P287 WeakPolarHBondContact O-CD 3.43Å; P287-A290 WeakPolarHBondContact O-CB 3.12Å; P287-A290 PolarHBondContact O-N 3.45Å; P287-V291 WeakPolarHBondContact O-CG2 3.47Å; P287-V291 PolarHBondContact O-N 2.92Å; P287-V312 HydrophobicContact CB-CG1 3.83Å; P287-V312 HydrophobicContact CG-CG1 4.03Å
288E86.9Confident84.8Confident156 Ų15647.4 Ų47.473%0.72923%0.23SC*.Hα-helixtrans-64.3-41.9177.5-64.1178.7178.800112K286 V291 K292 V312K286-E288 VanDerWaalsContact C-N 3.32Å; K286-E288 PolarHBondContact O-N 3.37Å; E288-V291 PolarHBondContact O-N 3.41Å; E288-K292 PolarHBondContact O-N 3.44Å; E288-V312 HydrophobicContact CG-CG2 4.42Å
289Q86.1Confident84.9Confident103 Ų10353.9 Ų53.948%0.48125%0.254SS..Hα-helixtrans-66.7-39.6175.7-67.1-176.6-400111L281 K286 V291 K292 M293L281-Q289 HydrophobicContact CD1-CB 4.19Å; L281-Q289 HydrophobicContact CD2-CB 4.24Å; K286-Q289 HydrophobicContact CB-CB 4.46Å; K286-Q289 PolarHBondContact O-N 3.32Å; Q289-V291 PolarHBondContact O-N 3.13Å; Q289-K292 WeakPolarHBondContact O-CB 3.5Å; Q289-K292 PolarHBondContact O-N 3.4Å; Q289-M293 WeakPolarHBondContact O-CG 3.45Å; Q289-M293 PolarHBondContact O-N 3.41Å
290A85.3Confident85Confident0 Ų055.9 Ų55.90%027%0.265CS..Hα-helixtrans-59-47.2175.600000111.8S278 L281 A282 K286 P287 K292 M293 L294 L315S278-A290 WeakPolarHBondContact O-CB 3.49Å; L281-A290 HydrophobicContact CB-CB 3.73Å; A282-A290 HydrophobicContact CB-CB 4.37Å; K286-A290 PolarHBondContact O-N 3.43Å; P287-A290 WeakPolarHBondContact O-CB 3.12Å; P287-A290 PolarHBondContact O-N 3.45Å; A290-K292 VanDerWaalsContact C-N 3.34Å; A290-K292 PolarHBondContact O-N 3.01Å; A290-M293 PolarHBondContact O-N 3.31Å; A290-L294 WeakPolarHBondContact O-CG 3.04Å; A290-L294 PolarHBondContact O-N 3.44Å; A290-L315 HydrophobicContact CB-CD2 3.61Å
291V86.8Confident85Confident12 Ų1256.6 Ų56.67%0.07327%0.269CS..Hα-helixtrans-63-40.7176.6173.70000111.2P287 E288 Q289 M293 L294 K295 I310 V312 L315P287-V291 WeakPolarHBondContact O-CG2 3.47Å; P287-V291 PolarHBondContact O-N 2.92Å; E288-V291 PolarHBondContact O-N 3.41Å; Q289-V291 PolarHBondContact O-N 3.13Å; V291-M293 VanDerWaalsContact C-N 3.31Å; V291-M293 PolarHBondContact O-N 3.34Å; V291-L294 PolarHBondContact O-N 3.28Å; V291-K295 HydrophobicContact CG1-CD 4.1Å; V291-K295 HydrophobicContact CG1-CG 4.36Å; V291-K295 WeakPolarHBondContact O-CB 3.38Å; V291-K295 WeakPolarHBondContact O-CG 3.49Å; V291-K295 PolarHBondContact O-N 3.15Å; V291-I310 HydrophobicContact CG1-CG2 4.47Å; V291-I310 WeakPolarHBondContact CG1-O 3.32Å; V291-V312 HydrophobicContact CG2-CG2 3.91Å; V291-L315 HydrophobicContact CG2-CB 4.48Å; V291-L315 HydrophobicContact CG2-CD2 3.92Å
292K88.6Confident84.9Confident142 Ų14259.5 Ų59.562%0.61730%0.301SS*.Hα-helixtrans-59.6-41.6175.7-173.3179.6-179.61780112E288 Q289 A290 S296E288-K292 PolarHBondContact O-N 3.44Å; Q289-K292 WeakPolarHBondContact O-CB 3.5Å; Q289-K292 PolarHBondContact O-N 3.4Å; A290-K292 VanDerWaalsContact C-N 3.34Å; A290-K292 PolarHBondContact O-N 3.01Å; K292-S296 PolarHBondContact O-N 3.5Å
293M86.6Confident84.7Confident40 Ų4064.1 Ų64.120%0.19732%0.316CS..Hα-helixtrans-67.2-45.8176.8-65.4-60.593.500111.5W219 H275 L281 Q289 A290 V291 K295 S296 V297W219-M293 HydrophobicContact CH2-CB 4.46Å; H275-M293 HydrophobicContact CB-SD 4.31Å; H275-M293 VanDerWaalsContact CD2-SD 3.55Å; L281-M293 HydrophobicContact CD1-CG 3.95Å; Q289-M293 WeakPolarHBondContact O-CG 3.45Å; Q289-M293 PolarHBondContact O-N 3.41Å; A290-M293 PolarHBondContact O-N 3.31Å; V291-M293 VanDerWaalsContact C-N 3.31Å; V291-M293 PolarHBondContact O-N 3.34Å; M293-K295 VanDerWaalsContact C-N 3.32Å; M293-K295 PolarHBondContact O-N 3.18Å; M293-S296 VanDerWaalsContact O-CB 3.3Å; M293-S296 WeakPolarHBondContact O-CB 3.43Å; M293-S296 PolarHBondContact O-N 3.39Å; M293-S296 VanDerWaalsContact O-N 3.09Å; M293-V297 PolarHBondContact O-N 3.04Å
294L85.6Confident84.4Confident0 Ų066.6 Ų66.60%033%0.326CS..Hα-helixtrans-58.6-42.7175.6-70.9171.9000112.1V10 W219 A290 V291 S296 V297 A298 I310 L315V10-L294 HydrophobicContact CG2-CD2 4.44Å; W219-L294 HydrophobicContact CZ3-CD2 4.44Å; A290-L294 WeakPolarHBondContact O-CG 3.04Å; A290-L294 PolarHBondContact O-N 3.44Å; V291-L294 PolarHBondContact O-N 3.28Å; L294-S296 PolarHBondContact O-N 3.45Å; L294-V297 PolarHBondContact O-N 3.2Å; L294-A298 WeakPolarHBondContact O-CB 3.38Å; L294-A298 PolarHBondContact O-N 3.45Å; L294-I310 HydrophobicContact CB-CD1 4.49Å; L294-I310 HydrophobicContact CD1-CG2 4.27Å; L294-L315 HydrophobicContact CD1-CD1 4.15Å
295K87Confident84Confident63 Ų6371 Ų7127%0.27435%0.345SS..Hα-helixtrans-62.8-38.9174-74.4-176.7179.8-1690112.4V291 M293 A298 R299 G307 I310V291-K295 HydrophobicContact CG1-CD 4.1Å; V291-K295 HydrophobicContact CG1-CG 4.36Å; V291-K295 WeakPolarHBondContact O-CB 3.38Å; V291-K295 WeakPolarHBondContact O-CG 3.49Å; V291-K295 PolarHBondContact O-N 3.15Å; M293-K295 VanDerWaalsContact C-N 3.32Å; M293-K295 PolarHBondContact O-N 3.18Å; K295-A298 PolarHBondContact O-N 2.78Å; K295-R299 VanDerWaalsContact O-CG 3.29Å; K295-R299 WeakPolarHBondContact O-CG 3.28Å; K295-R299 PolarHBondContact O-N 3.09Å; K295-R299 VanDerWaalsContact O-N 3.1Å; K295-R299 PolarHBondContact O-NE 3.28Å; K295-G307 WeakPolarHBondContact CE-O 3.28Å; K295-G307 WeakPolarHBondContact CG-O 3.29Å; K295-I310 WeakPolarHBondContact CE-O 3.27Å
296S85.7Confident83.7Confident33 Ų3368.4 Ų68.423%0.23133%0.329CS..Hα-helixtrans-60.5-46.2174.5-164.60000111.6H275 K292 M293 L294 R299 F300H275-S296 PolarHBondContact NE2-OG 3.37Å; K292-S296 PolarHBondContact O-N 3.5Å; M293-S296 VanDerWaalsContact O-CB 3.3Å; M293-S296 WeakPolarHBondContact O-CB 3.43Å; M293-S296 PolarHBondContact O-N 3.39Å; M293-S296 VanDerWaalsContact O-N 3.09Å; L294-S296 PolarHBondContact O-N 3.45Å; S296-R299 WeakPolarHBondContact O-CB 3.45Å; S296-R299 PolarHBondContact O-N 2.91Å; S296-F300 PolarHBondContact O-N 3.04Å; S296-F300 VanDerWaalsContact O-N 3.08Å
297V85.6Confident83.1Confident1 Ų163.9 Ų63.91%0.00631%0.31CS..Hα-helixtrans-68.6-39.1179.5176.80000111.9V10 F16 W219 M293 L294 R299 F300 N301V10-V297 HydrophobicContact CG1-CB 4Å; V10-V297 HydrophobicContact CG1-CG1 3.73Å; F16-V297 HydrophobicContact CB-CG1 4.18Å; F16-V297 HydrophobicContact CD1-CB 4.32Å; F16-V297 HydrophobicContact CD1-CG1 3.51Å; F16-V297 HydrophobicContact CD1-CG2 3.86Å; F16-V297 HydrophobicContact CD2-CG2 4.43Å; F16-V297 HydrophobicContact CE1-CB 4.49Å; F16-V297 HydrophobicContact CE1-CG1 4.06Å; F16-V297 HydrophobicContact CE1-CG2 3.58Å; F16-V297 HydrophobicContact CE2-CG2 4.18Å; F16-V297 HydrophobicContact CG-CG1 3.9Å; F16-V297 HydrophobicContact CG-CG2 4.28Å; F16-V297 HydrophobicContact CZ-CG2 3.75Å; W219-V297 HydrophobicContact CE3-CG2 4.38Å; W219-V297 HydrophobicContact CH2-CB 4.39Å; W219-V297 HydrophobicContact CH2-CG2 3.48Å; W219-V297 VanDerWaalsContact CH2-CG2 3.48Å; W219-V297 HydrophobicContact CZ2-CG2 4.4Å; W219-V297 HydrophobicContact CZ3-CB 4.04Å; W219-V297 HydrophobicContact CZ3-CG1 4.13Å; W219-V297 HydrophobicContact CZ3-CG2 3.48Å; W219-V297 VanDerWaalsContact CZ3-CG2 3.48Å; M293-V297 PolarHBondContact O-N 3.04Å; L294-V297 PolarHBondContact O-N 3.2Å; V297-R299 VanDerWaalsContact C-N 3.28Å; V297-R299 PolarHBondContact O-N 3.03Å; V297-F300 PolarHBondContact O-N 2.69Å; V297-N301 WeakPolarHBondContact O-CB 3.21Å; V297-N301 PolarHBondContact O-N 3.49Å
298A84.9Confident82.7Confident0 Ų068.5 Ų68.50%033%0.329CS..Hα-helixtrans-59.5-40.6175.100000111.7V10 L294 K295 N301 G302 R303V10-A298 HydrophobicContact CG1-CB 3.97Å; V10-A298 HydrophobicContact CG2-CB 4.46Å; L294-A298 WeakPolarHBondContact O-CB 3.38Å; L294-A298 PolarHBondContact O-N 3.45Å; K295-A298 PolarHBondContact O-N 2.78Å; A298-N301 PolarHBondContact O-N 3.17Å; A298-G302 PolarHBondContact O-N 3.41Å; A298-R303 CarbonylContact O-C 3.6Å; A298-R303 PolarHBondContact O-N 2.95Å
299R84.6Confident82.3Confident138 Ų13867.3 Ų67.352%0.52132%0.322SS..Hα-helixtrans-63-45.6174.1-72.1-172.5-74.6173.6-3.7112.2K295 S296 V297 N301 G302 H304K295-R299 VanDerWaalsContact O-CG 3.29Å; K295-R299 WeakPolarHBondContact O-CG 3.28Å; K295-R299 PolarHBondContact O-N 3.09Å; K295-R299 VanDerWaalsContact O-N 3.1Å; K295-R299 PolarHBondContact O-NE 3.28Å; S296-R299 WeakPolarHBondContact O-CB 3.45Å; S296-R299 PolarHBondContact O-N 2.91Å; V297-R299 VanDerWaalsContact C-N 3.28Å; V297-R299 PolarHBondContact O-N 3.03Å; R299-N301 PolarHBondContact O-N 2.99Å; R299-G302 PolarHBondContact O-N 2.73Å; R299-G302 VanDerWaalsContact O-N 3.1Å; R299-H304 VanDerWaalsContact CD-NE2 3.26Å; R299-H304 WeakPolarHBondContact CD-NE2 3.4Å; R299-H304 VanDerWaalsContact CG-CD2 3.46Å; R299-H304 WeakPolarHBondContact CG-CD2 3.41Å; R299-H304 WeakPolarHBondContact CG-NE2 3.4Å
300F84.3Confident82Confident103 Ų10362.4 Ų62.445%0.45230%0.299SS..Hα-helixtrans-63.8-31.2178.4-156-85.3000112.7F16 L19 W273 S296 V297 G302F16-F300 HydrophobicContact CB-CB 4.29Å; F16-F300 HydrophobicContact CB-CD1 3.61Å; F16-F300 HydrophobicContact CB-CE1 4.31Å; F16-F300 HydrophobicContact CB-CG 4.23Å; F16-F300 HydrophobicContact CD2-CB 4.4Å; F16-F300 HydrophobicContact CD2-CD1 4.07Å; F16-F300 HydrophobicContact CD2-CG 4.14Å; F16-F300 HydrophobicContact CG-CD1 4.35Å; L19-F300 HydrophobicContact CD2-CZ 4.29Å; W273-F300 HydrophobicContact CZ2-CE2 4.29Å; W273-F300 HydrophobicContact CZ2-CZ 4.26Å; S296-F300 PolarHBondContact O-N 3.04Å; S296-F300 VanDerWaalsContact O-N 3.08Å; V297-F300 PolarHBondContact O-N 2.69Å; F300-G302 VanDerWaalsContact C-N 3.33Å
301N84.9Confident82Confident28 Ų2867 Ų6715%0.1532%0.323CS..THydrogen-bonded Turntrans-86.41.7176.8-73.4-18.6000114.1V10 G11 G14 R15 F16 Q17 V297 A298 R299 R303V10-N301 PolarHBondContact O-ND2 2.69Å; G11-N301 PolarHBondContact O-ND2 3.5Å; G11-N301 VanDerWaalsContact O-ND2 3.13Å; G14-N301 WeakPolarHBondContact CA-OD1 3.3Å; R15-N301 PolarHBondContact N-OD1 2.81Å; F16-N301 VanDerWaalsContact CB-OD1 3.3Å; F16-N301 WeakPolarHBondContact CB-OD1 3.41Å; F16-N301 PolarHBondContact N-OD1 3.5Å; F16-N301 VanDerWaalsContact N-OD1 3.09Å; Q17-N301 PolarHBondContact NE2-ND2 3.31Å; Q17-N301 PolarHBondContact OE1-ND2 2.8Å; Q17-N301 PolarHBondContact OE1-OD1 2.92Å; V297-N301 WeakPolarHBondContact O-CB 3.21Å; V297-N301 PolarHBondContact O-N 3.49Å; A298-N301 PolarHBondContact O-N 3.17Å; R299-N301 PolarHBondContact O-N 2.99Å; N301-R303 VanDerWaalsContact C-N 3.32Å; N301-R303 PolarHBondContact O-N 3.37Å
302G81.9Confident81.7Confident67 Ų6768.6 Ų68.669%0.69133%0.333SS*.THydrogen-bonded Turntrans75.314.1179.600000115A298 R299 F300A298-G302 PolarHBondContact O-N 3.41Å; R299-G302 PolarHBondContact O-N 2.73Å; R299-G302 VanDerWaalsContact O-N 3.1Å; F300-G302 VanDerWaalsContact C-N 3.33Å
303R80.5Confident81.3Confident108 Ų10869.5 Ų69.541%0.40834%0.337SS..  trans-104.958.9179.3-67.3-166.2176.7-144.43112Q9 A298 N301 E305 E306 G307Q9-R303 WeakPolarHBondContact O-CD 3.34Å; A298-R303 CarbonylContact O-C 3.6Å; A298-R303 PolarHBondContact O-N 2.95Å; N301-R303 VanDerWaalsContact C-N 3.32Å; N301-R303 PolarHBondContact O-N 3.37Å; R303-E305 PolarHBondContact O-N 3.16Å; R303-E306 IonicContact CZ-OE2 3.77Å; R303-E306 IonicContact NH1-OE2 2.68Å; R303-E306 PolarHBondContact NH1-OE2 2.82Å; R303-G307 PolarHBondContact O-N 2.83Å; R303-G307 VanDerWaalsContact O-N 3.1Å
304H74.4Confident80.9Confident97 Ų9770.4 Ų70.445%0.44934%0.341SS..Hα-helixtrans-62.2-45-173.4-147.7-72.3000112.6R299 G307 E308R299-H304 VanDerWaalsContact CD-NE2 3.26Å; R299-H304 WeakPolarHBondContact CD-NE2 3.4Å; R299-H304 VanDerWaalsContact CG-CD2 3.46Å; R299-H304 WeakPolarHBondContact CG-CD2 3.41Å; R299-H304 WeakPolarHBondContact CG-NE2 3.4Å; H304-G307 PolarHBondContact O-N 2.92Å; H304-E308 IonicContact CE1-OE1 2.76Å; H304-E308 IonicContact ND1-OE1 3.64Å; H304-E308 PolarHBondContact O-N 3.38Å; H304-E308 VanDerWaalsContact O-N 3.12Å
305E72.5Confident80.6Confident151 Ų15170.4 Ų70.471%0.70634%0.341SS*.Hα-helixtrans-68.5-37.8-176.9-64.1-174.7175.200113.4R303 K309R303-E305 PolarHBondContact O-N 3.16Å; E305-K309 WeakPolarHBondContact O-CG 3.23Å
306E74.4Confident80.2Confident73 Ų7372.2 Ų72.234%0.34135%0.351SS..Hα-helixtrans-73.3-35.7176.7-62.1-161.314300111.4R303 E308 K309R303-E306 IonicContact CZ-OE2 3.77Å; R303-E306 IonicContact NH1-OE2 2.68Å; R303-E306 PolarHBondContact NH1-OE2 2.82Å; E306-E308 PolarHBondContact O-N 3.45Å; E306-K309 PolarHBondContact O-N 2.93Å
307G73.2Confident79.9Confident2 Ų277.4 Ų77.42%0.02137%0.371CS..Hα-helixtrans-63.4-3817500000113.5K295 R303 H304 K309 I310K295-G307 WeakPolarHBondContact CE-O 3.28Å; K295-G307 WeakPolarHBondContact CG-O 3.29Å; R303-G307 PolarHBondContact O-N 2.83Å; R303-G307 VanDerWaalsContact O-N 3.1Å; H304-G307 PolarHBondContact O-N 2.92Å; G307-K309 VanDerWaalsContact C-N 3.32Å; G307-K309 PolarHBondContact O-N 3.45Å; G307-I310 WeakPolarHBondContact O-CB 3.43Å; G307-I310 PolarHBondContact O-N 2.71Å
308E77.9Confident79.2Confident121 Ų12178 Ų7857%0.56538%0.375SS*.Hα-helixtrans-68.4-29.8178.8-79-168.9168.500113.6H304 E306 I310H304-E308 IonicContact CE1-OE1 2.76Å; H304-E308 IonicContact ND1-OE1 3.64Å; H304-E308 PolarHBondContact O-N 3.38Å; H304-E308 VanDerWaalsContact O-N 3.12Å; E306-E308 PolarHBondContact O-N 3.45Å; E308-I310 PolarHBondContact O-N 2.94Å
309K78.4Confident78.8Confident132 Ų13278 Ų7857%0.57438%0.375SS*.THydrogen-bonded Turntrans-67.3-18175.8-66.4169.8-169.6173.40113E305 E306 G307 N311 M314E305-K309 WeakPolarHBondContact O-CG 3.23Å; E306-K309 PolarHBondContact O-N 2.93Å; G307-K309 VanDerWaalsContact C-N 3.32Å; G307-K309 PolarHBondContact O-N 3.45Å; K309-N311 PolarHBondContact O-N 3.03Å; K309-M314 WeakPolarHBondContact O-CE 3Å
310I79.3Confident78.3Confident0 Ų078.8 Ų78.80%038%0.383CS..  trans-74.6112.6178.9-57.8174.1000109.7L6 V10 V291 L294 K295 G307 E308L6-I310 HydrophobicContact CD2-CD1 4.33Å; L6-I310 HydrophobicContact CD2-CG1 4.18Å; L6-I310 HydrophobicContact CD2-CG2 4.2Å; V10-I310 HydrophobicContact CG2-CD1 3.33Å; V291-I310 HydrophobicContact CG1-CG2 4.47Å; V291-I310 WeakPolarHBondContact CG1-O 3.32Å; L294-I310 HydrophobicContact CB-CD1 4.49Å; L294-I310 HydrophobicContact CD1-CG2 4.27Å; K295-I310 WeakPolarHBondContact CE-O 3.27Å; G307-I310 WeakPolarHBondContact O-CB 3.43Å; G307-I310 PolarHBondContact O-N 2.71Å; E308-I310 PolarHBondContact O-N 2.94Å
311N83.9Confident77.5Confident95 Ų9581.8 Ų81.851%0.50840%0.396SS..  trans-115.1160176-77.1-27.3000111.6K309 K313 M314 L315K309-N311 PolarHBondContact O-N 3.03Å; N311-K313 PolarHBondContact O-N 2.93Å; N311-M314 WeakPolarHBondContact O-CB 3.41Å; N311-M314 PolarHBondContact O-N 3.23Å; N311-M314 VanDerWaalsContact O-N 3.07Å; N311-L315 PolarHBondContact O-N 3.29Å; N311-L315 VanDerWaalsContact O-N 3.13Å
312V81.8Confident76.7Confident46 Ų4683.3 Ų83.328%0.27940%0.402SS..Hα-helixtrans-54-40.1-179.6170.30000112.3P287 E288 V291 L315 Q316P287-V312 HydrophobicContact CB-CG1 3.83Å; P287-V312 HydrophobicContact CG-CG1 4.03Å; E288-V312 HydrophobicContact CG-CG2 4.42Å; V291-V312 HydrophobicContact CG2-CG2 3.91Å; V312-L315 PolarHBondContact O-N 3.42Å; V312-Q316 HydrophobicContact CG1-CG 4.33Å; V312-Q316 WeakPolarHBondContact O-CG 3.17Å; V312-Q316 PolarHBondContact O-N 3.31Å
313K80Confident76Confident161 Ų16182 Ų8270%0.738%0.378SS*.Hα-helixtrans-61.2-45.6177.9-65.4-175.5179.5-179.30112.3N311 L315 Q316 E317N311-K313 PolarHBondContact O-N 2.93Å; K313-L315 VanDerWaalsContact C-N 3.31Å; K313-L315 PolarHBondContact O-N 3.37Å; K313-Q316 PolarHBondContact O-N 3.49Å; K313-E317 WeakPolarHBondContact O-CB 3.37Å; K313-E317 WeakPolarHBondContact O-CG 3.16Å; K313-E317 PolarHBondContact O-N 2.87Å
314M77.9Confident75Confident59 Ų5980.7 Ų80.729%0.29139%0.386SS..Hα-helixtrans-63.5-38.3178.6-169.7-172.4-67.900111.5L6 K309 N311 S318L6-M314 HydrophobicContact CD2-CG 4.31Å; L6-M314 HydrophobicContact CD2-SD 3.95Å; K309-M314 WeakPolarHBondContact O-CE 3Å; N311-M314 WeakPolarHBondContact O-CB 3.41Å; N311-M314 PolarHBondContact O-N 3.23Å; N311-M314 VanDerWaalsContact O-N 3.07Å; M314-S318 WeakPolarHBondContact O-CB 3.47Å; M314-S318 PolarHBondContact O-N 3.06Å; M314-S318 VanDerWaalsContact O-N 3.08Å; M314-S318 PolarHBondContact O-OG 3.27Å
315L79.3Confident74.2Confident1 Ų178.6 Ų78.61%0.00538%0.382CS..Hα-helixtrans-66-47.8174.7-179.564.9000111.8F3 L6 A282 A290 V291 L294 N311 V312 K313 S318 M319F3-L315 HydrophobicContact CD2-CD1 4.11Å; F3-L315 HydrophobicContact CE2-CD1 4.05Å; L6-L315 HydrophobicContact CD1-CD1 4.11Å; A282-L315 HydrophobicContact CB-CD2 4.1Å; A282-L315 HydrophobicContact CB-CG 4.33Å; A290-L315 HydrophobicContact CB-CD2 3.61Å; V291-L315 HydrophobicContact CG2-CB 4.48Å; V291-L315 HydrophobicContact CG2-CD2 3.92Å; L294-L315 HydrophobicContact CD1-CD1 4.15Å; N311-L315 PolarHBondContact O-N 3.29Å; N311-L315 VanDerWaalsContact O-N 3.13Å; V312-L315 PolarHBondContact O-N 3.42Å; K313-L315 VanDerWaalsContact C-N 3.31Å; K313-L315 PolarHBondContact O-N 3.37Å; L315-S318 PolarHBondContact O-N 3.01Å; L315-M319 HydrophobicContact CD1-CG 4.38Å; L315-M319 HydrophobicContact CD1-SD 3.91Å; L315-M319 HydrophobicContact CG-SD 4.44Å; L315-M319 WeakPolarHBondContact O-CB 3.43Å; L315-M319 WeakPolarHBondContact O-CG 3.39Å; L315-M319 PolarHBondContact O-N 3.03Å
316Q79.6Confident73.5Confident100 Ų10075 Ų7547%0.46737%0.374SS..Hα-helixtrans-63.7-41.7179-76.7179.6-37.900112.4V312 K313 S318 M319 K320V312-Q316 HydrophobicContact CG1-CG 4.33Å; V312-Q316 WeakPolarHBondContact O-CG 3.17Å; V312-Q316 PolarHBondContact O-N 3.31Å; K313-Q316 PolarHBondContact O-N 3.49Å; Q316-S318 VanDerWaalsContact C-N 3.29Å; Q316-S318 PolarHBondContact O-N 3.43Å; Q316-M319 CarbonylContact O-C 3.41Å; Q316-M319 PolarHBondContact O-N 3.03Å; Q316-K320 PolarHBondContact O-N 2.96Å
317E78.1Confident72.2Confident142 Ų14279.1 Ų79.166%0.66439%0.393SS*.Hα-helixtrans-61.2-40.7174.2-76.7174.4-172.300111.6K313 M319 K320K313-E317 WeakPolarHBondContact O-CB 3.37Å; K313-E317 WeakPolarHBondContact O-CG 3.16Å; K313-E317 PolarHBondContact O-N 2.87Å; E317-M319 VanDerWaalsContact C-N 3.26Å; E317-M319 PolarHBondContact O-N 2.66Å; E317-K320 WeakPolarHBondContact O-CB 2.93Å; E317-K320 PolarHBondContact O-N 2.8Å
318S72.1Confident71.2Confident13 Ų1380.3 Ų80.39%0.09141%0.405CS..Hα-helixtrans-73.5-20.9-179.1-56.10000113.8M1 L6 M314 L315 Q316M1-S318 WeakPolarHBondContact O-CA 3.28Å; M1-S318 WeakPolarHBondContact O-CB 3.44Å; L6-S318 VanDerWaalsContact CD1-CB 3.41Å; L6-S318 WeakPolarHBondContact CD1-OG 3.47Å; M314-S318 WeakPolarHBondContact O-CB 3.47Å; M314-S318 PolarHBondContact O-N 3.06Å; M314-S318 VanDerWaalsContact O-N 3.08Å; M314-S318 PolarHBondContact O-OG 3.27Å; L315-S318 PolarHBondContact O-N 3.01Å; Q316-S318 VanDerWaalsContact C-N 3.29Å; Q316-S318 PolarHBondContact O-N 3.43Å
319M75.8Confident69.7Low0 Ų080.6 Ų80.60%042%0.417CS..Hα-helixtrans-105.62178.2-65.8-166.763.300113.4F3 R279 A282 I283 L315 Q316 E317 K321 E322 L323F3-M319 HydrophobicContact CB-CG 4.32Å; F3-M319 HydrophobicContact CD2-CG 4Å; F3-M319 HydrophobicContact CD2-SD 3.65Å; F3-M319 HydrophobicContact CE2-SD 4.09Å; F3-M319 HydrophobicContact CG-SD 4.49Å; R279-M319 HydrophobicContact CG-CE 3.72Å; A282-M319 HydrophobicContact CB-CE 3.77Å; A282-M319 HydrophobicContact CB-SD 3.23Å; A282-M319 WeakPolarHBondContact CB-SD 3.18Å; I283-M319 HydrophobicContact CD1-CE 4.12Å; I283-M319 HydrophobicContact CG1-CE 3.65Å; L315-M319 HydrophobicContact CD1-CG 4.38Å; L315-M319 HydrophobicContact CD1-SD 3.91Å; L315-M319 HydrophobicContact CG-SD 4.44Å; L315-M319 WeakPolarHBondContact O-CB 3.43Å; L315-M319 WeakPolarHBondContact O-CG 3.39Å; L315-M319 PolarHBondContact O-N 3.03Å; Q316-M319 CarbonylContact O-C 3.41Å; Q316-M319 PolarHBondContact O-N 3.03Å; E317-M319 VanDerWaalsContact C-N 3.26Å; E317-M319 PolarHBondContact O-N 2.66Å; M319-K321 VanDerWaalsContact C-N 3.27Å; M319-K321 PolarHBondContact O-N 3.4Å; M319-E322 PolarHBondContact O-N 3.37Å; M319-L323 HydrophobicContact CB-CD1 3.87Å; M319-L323 HydrophobicContact CB-CG 4.35Å; M319-L323 WeakPolarHBondContact O-CB 3.43Å; M319-L323 PolarHBondContact O-N 3.19Å
320K74.3Confident68.7Low155 Ų15578.6 Ų78.667%0.67441%0.41SS*.Hα-helixtrans-53.7-41.8-175-170.4176.6-179.2179.70112.9Q316 E317 S324Q316-K320 PolarHBondContact O-N 2.96Å; E317-K320 WeakPolarHBondContact O-CB 2.93Å; E317-K320 PolarHBondContact O-N 2.8Å; K320-S324 WeakPolarHBondContact O-CB 3.29Å; K320-S324 PolarHBondContact O-N 2.83Å; K320-S324 PolarHBondContact O-OG 3.04Å
321K67.8Low68Low167 Ų16781.4 Ų81.473%0.72643%0.43SS*.Hα-helixtrans-64.5-45.1177-167.2178.1179.7-176.20111.6M319 S324 C325M319-K321 VanDerWaalsContact C-N 3.27Å; M319-K321 PolarHBondContact O-N 3.4Å; K321-S324 PolarHBondContact O-OG 3.05Å; K321-C325 WeakPolarHBondContact O-CB 3.39Å; K321-C325 PolarHBondContact O-N 3.48Å; K321-C325 VanDerWaalsContact O-N 3.15Å
322E67.4Low67.2Low60 Ų6079.3 Ų79.328%0.2843%0.425SS..Hα-helixtrans-70.3-40.3179.2-60.4-166.7168.700112.5R279 M319 C325 S326R279-E322 IonicContact CZ-OE1 3.76Å; R279-E322 IonicContact CZ-OE2 3.27Å; R279-E322 VanDerWaalsContact CZ-OE2 3.23Å; R279-E322 IonicContact NE-OE1 3.34Å; R279-E322 IonicContact NE-OE2 2.9Å; R279-E322 PolarHBondContact NE-OE2 3.28Å; R279-E322 IonicContact NH2-OE1 3.77Å; R279-E322 PolarHBondContact NH2-OE1 3.48Å; R279-E322 IonicContact NH2-OE2 3.93Å; R279-E322 PolarHBondContact NH2-OE2 3.45Å; M319-E322 PolarHBondContact O-N 3.37Å; E322-C325 PolarHBondContact O-N 2.96Å; E322-S326 PolarHBondContact O-N 2.93Å
323L67.4Low66.9Low38 Ų3883.3 Ų83.320%0.19944%0.444CS..Hα-helixtrans-60.1-45.5174.1-80.3156.7000111.2M319 C325 S326 Q327M319-L323 HydrophobicContact CB-CD1 3.87Å; M319-L323 HydrophobicContact CB-CG 4.35Å; M319-L323 WeakPolarHBondContact O-CB 3.43Å; M319-L323 PolarHBondContact O-N 3.19Å; L323-C325 VanDerWaalsContact C-N 3.28Å; L323-C325 PolarHBondContact O-N 3.19Å; L323-S326 PolarHBondContact O-N 3.26Å; L323-Q327 WeakPolarHBondContact O-CG 3.48Å; L323-Q327 PolarHBondContact O-N 3.07Å
324S59.8Low66.7Low81 Ų8176.5 Ų76.557%0.56642%0.416SS*.Hα-helixtrans-64.1-33.3177.166.10000113K320 K321K320-S324 WeakPolarHBondContact O-CB 3.29Å; K320-S324 PolarHBondContact O-N 2.83Å; K320-S324 PolarHBondContact O-OG 3.04Å; K321-S324 PolarHBondContact O-OG 3.05Å
325C58.6Low66.8Low54 Ų5473.7 Ų73.737%0.36540%0.402SS..Hα-helixtrans-75.6-34.2178.7-156.50000111.8K321 E322 L323 Q327 G328K321-C325 WeakPolarHBondContact O-CB 3.39Å; K321-C325 PolarHBondContact O-N 3.48Å; K321-C325 VanDerWaalsContact O-N 3.15Å; E322-C325 PolarHBondContact O-N 2.96Å; L323-C325 VanDerWaalsContact C-N 3.28Å; L323-C325 PolarHBondContact O-N 3.19Å; C325-Q327 VanDerWaalsContact C-N 3.28Å; C325-Q327 PolarHBondContact O-N 2.87Å; C325-G328 PolarHBondContact O-N 3.38Å
326S55.8Low67Low76 Ų7676.7 Ų76.753%0.53142%0.415SS..Hα-helixtrans-71.6-17175.7-170.50000114.1E322 L323E322-S326 PolarHBondContact O-N 2.93Å; L323-S326 PolarHBondContact O-N 3.26Å
327Q47.7Very low67.1Low158 Ų15880.9 Ų80.974%0.73843%0.426SS*.THydrogen-bonded Turntrans-91.6-3179.1-67.3-131.2-1500113.9L323 C325L323-Q327 WeakPolarHBondContact O-CG 3.48Å; L323-Q327 PolarHBondContact O-N 3.07Å; C325-Q327 VanDerWaalsContact C-N 3.28Å; C325-Q327 PolarHBondContact O-N 2.87Å
328G52.3Low67.4Low27 Ų2775.2 Ų75.228%0.27840%0.402SS..SBendtrans-76.5147.9174.200000112.3C325 H330C325-G328 PolarHBondContact O-N 3.38Å; G328-H330 PolarHBondContact O-N 3.2Å
329P46.6Very low67.9Low127 Ų12778.8 Ų78.883%0.82542%0.424SS*.  trans-76.160.3172.334.6-34.7000109.9S331P329-S331 PolarHBondContact O-N 3.11Å
330H57.3Low68.3Low91 Ų9182.7 Ų82.742%0.42144%0.441SS..  trans-89.4108.1176.9-66.8-54.4000108.7G328 D334G328-H330 PolarHBondContact O-N 3.2Å; H330-D334 IonicContact ND1-OD2 2.77Å
331S64.7Low68.8Low59 Ų5975.3 Ų75.341%0.41341%0.409SS..  trans-101.6155.1-178.7-176.90000110.1P329 L333 D334P329-S331 PolarHBondContact O-N 3.11Å; S331-L333 PolarHBondContact O-N 3.47Å; S331-D334 PolarHBondContact N-OD2 3.33Å; S331-D334 WeakPolarHBondContact O-CB 3.45Å; S331-D334 PolarHBondContact O-N 3.4Å
332A67.5Low69.7Low51 Ų5173.7 Ų73.742%0.42140%0.399SS..THydrogen-bonded Turntrans-55.6-19.6171.800000112.7D334 L335A332-D334 PolarHBondContact O-N 3.25Å; A332-L335 WeakPolarHBondContact O-CB 3.5Å; A332-L335 WeakPolarHBondContact O-CD1 3.29Å; A332-L335 PolarHBondContact O-N 2.99Å
333L74.9Confident70.8Confident129 Ų12974.7 Ų74.768%0.67541%0.409SS*.THydrogen-bonded Turntrans-64.5-23.9172.9-64.3175000113.5S331 L335 F336 R337S331-L333 PolarHBondContact O-N 3.47Å; L333-L335 PolarHBondContact O-N 3.46Å; L333-F336 PolarHBondContact O-N 3.01Å; L333-F336 VanDerWaalsContact O-N 3.12Å; L333-R337 PolarHBondContact O-N 3.5Å
334D77.1Confident71.8Confident18 Ų1873.3 Ų73.310%0.09640%0.402CS..Hα-helixtrans-67.5-17177.3-71.1-34.6000112.6H330 S331 A332 F336 R337 I522H330-D334 IonicContact ND1-OD2 2.77Å; S331-D334 PolarHBondContact N-OD2 3.33Å; S331-D334 WeakPolarHBondContact O-CB 3.45Å; S331-D334 PolarHBondContact O-N 3.4Å; A332-D334 PolarHBondContact O-N 3.25Å; D334-F336 VanDerWaalsContact C-N 3.27Å; D334-F336 PolarHBondContact O-N 3.2Å; D334-R337 WeakPolarHBondContact OD1-CD 3.47Å; D334-R337 IonicContact OD1-NH1 2.68Å; D334-R337 PolarHBondContact OD1-NH1 3.4Å; D334-I522 HydrophobicContact CB-CD1 4.39Å
335L78.4Confident73.2Confident0 Ų069.5 Ų69.50%038%0.375CS..Hα-helixtrans-64.4-32.1171.5-83.563.1000112.5A332 L333 M341 T345 I459 W466A332-L335 WeakPolarHBondContact O-CB 3.5Å; A332-L335 WeakPolarHBondContact O-CD1 3.29Å; A332-L335 PolarHBondContact O-N 2.99Å; L333-L335 PolarHBondContact O-N 3.46Å; L335-M341 CarbonylContact O-C 3.46Å; L335-M341 WeakPolarHBondContact O-CB 3.46Å; L335-T345 HydrophobicContact CB-CG2 4.49Å; L335-T345 HydrophobicContact CD2-CG2 4.14Å; L335-I459 HydrophobicContact CD1-CB 4.19Å; L335-I459 HydrophobicContact CD1-CD1 4.16Å; L335-W466 HydrophobicContact CD2-CB 4Å; L335-W466 HydrophobicContact CD2-CG 4.34Å
336F84.1Confident74.8Confident65 Ų6574.2 Ų74.229%0.28539%0.389SS..Hα-helixtrans-101-6.3-174.4-60.9-74.5000113.3L333 D334 R342 T345 W466L333-F336 PolarHBondContact O-N 3.01Å; L333-F336 VanDerWaalsContact O-N 3.12Å; D334-F336 VanDerWaalsContact C-N 3.27Å; D334-F336 PolarHBondContact O-N 3.2Å; F336-R342 HydrophobicContact CD1-CG 4.4Å; F336-R342 PolarHBondContact O-NE 3.38Å; F336-R342 PolarHBondContact O-NH2 3.38Å; F336-T345 HydrophobicContact CE1-CG2 3.79Å; F336-T345 HydrophobicContact CZ-CG2 3.84Å; F336-W466 HydrophobicContact CE1-CZ2 4.4Å; F336-W466 HydrophobicContact CE2-CD2 4.32Å; F336-W466 HydrophobicContact CE2-CE3 4.4Å; F336-W466 HydrophobicContact CE2-CH2 4.23Å; F336-W466 HydrophobicContact CE2-CZ2 4.16Å; F336-W466 HydrophobicContact CE2-CZ3 4.36Å; F336-W466 AromaticContact CZ-CD2 4Å; F336-W466 HydrophobicContact CZ-CD2 4Å; F336-W466 AromaticContact CZ-CE2 3.49Å; F336-W466 VanDerWaalsContact CZ-CE2 3.49Å; F336-W466 HydrophobicContact CZ-CE3 4.46Å; F336-W466 HydrophobicContact CZ-CH2 4.02Å; F336-W466 AromaticContact CZ-CZ2 3.5Å; F336-W466 HydrophobicContact CZ-CZ2 3.5Å; F336-W466 VanDerWaalsContact CZ-CZ2 3.5Å; F336-W466 HydrophobicContact CZ-CZ3 4.47Å; F336-W466 AromaticContact CZ-NE1 3.78Å
337R81.8Confident76.5Confident187 Ų18771 Ų7171%0.70637%0.367SS*.Hα-helixtrans-70-48.6-172-169.7174.1-176.6167.10112L333 D334L333-R337 PolarHBondContact O-N 3.5Å; D334-R337 WeakPolarHBondContact OD1-CD 3.47Å; D334-R337 IonicContact OD1-NH1 2.68Å; D334-R337 PolarHBondContact OD1-NH1 3.4Å
338T83.9Confident78.6Confident23 Ų2363.5 Ų63.514%0.14133%0.332CS..SBendtrans-93.4143.4-178.344.50000112.1K340 M341 R342 I522 E526T338-K340 PolarHBondContact O-N 3.41Å; T338-M341 PolarHBondContact O-N 3.25Å; T338-M341 WeakPolarHBondContact OG1-CB 3.43Å; T338-M341 WeakPolarHBondContact OG1-CG 3.35Å; T338-R342 WeakPolarHBondContact O-CB 3.48Å; T338-R342 PolarHBondContact O-N 3.21Å; T338-I522 HydrophobicContact CG2-CG2 4.08Å; T338-E526 WeakPolarHBondContact CB-OE1 3.38Å; T338-E526 HydrophobicContact CG2-CG 4.48Å; T338-E526 WeakPolarHBondContact CG2-OE1 3.33Å
339P83.1Confident80.6Confident88 Ų8862.8 Ų62.857%0.57132%0.323SS*.Hα-helixtrans-64-40.4-17123.7-33.1000112.7R342 V343P339-R342 PolarHBondContact O-N 3.5Å; P339-V343 WeakPolarHBondContact O-CG2 3.44Å; P339-V343 PolarHBondContact O-N 2.91Å; P339-V343 VanDerWaalsContact O-N 3.13Å
340K83.6Confident82.9Confident82 Ų8258.3 Ų58.336%0.35730%0.296SS..Hα-helixtrans-71.1-40.8179.2-66.3-169.4-174170.60112.3T338 R342 V343 M344 E526 G529T338-K340 PolarHBondContact O-N 3.41Å; K340-R342 VanDerWaalsContact C-N 3.3Å; K340-R342 PolarHBondContact O-N 2.73Å; K340-V343 PolarHBondContact O-N 3.44Å; K340-M344 WeakPolarHBondContact O-CB 3.37Å; K340-M344 PolarHBondContact O-N 3.48Å; K340-E526 PolarHBondContact NZ-O 3.24Å; K340-G529 VanDerWaalsContact NZ-CA 3.33Å
341M84.7Confident84.6Confident0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-62.9-37.6173.6-71-63.9-54.700111.9L335 T338 M344 T345 F455 P456 I459 I522 V525L335-M341 CarbonylContact O-C 3.46Å; L335-M341 WeakPolarHBondContact O-CB 3.46Å; T338-M341 PolarHBondContact O-N 3.25Å; T338-M341 WeakPolarHBondContact OG1-CB 3.43Å; T338-M341 WeakPolarHBondContact OG1-CG 3.35Å; M341-M344 HydrophobicContact CE-CE 3.61Å; M341-M344 PolarHBondContact O-N 2.85Å; M341-M344 HydrophobicContact SD-CE 3.84Å; M341-T345 VanDerWaalsContact O-CB 3.28Å; M341-T345 WeakPolarHBondContact O-CB 3.46Å; M341-T345 PolarHBondContact O-N 2.73Å; M341-T345 PolarHBondContact O-OG1 3.15Å; M341-F455 HydrophobicContact CE-CD1 3.93Å; M341-F455 HydrophobicContact CE-CE1 4.3Å; M341-P456 HydrophobicContact CE-CG 4.29Å; M341-P456 HydrophobicContact SD-CG 4.3Å; M341-I459 HydrophobicContact CE-CD1 3.45Å; M341-I459 VanDerWaalsContact CE-CD1 3.45Å; M341-I522 HydrophobicContact CG-CG2 4.09Å; M341-V525 HydrophobicContact SD-CB 3.94Å; M341-V525 HydrophobicContact SD-CG1 3.63Å; M341-V525 HydrophobicContact SD-CG2 4.04Å
342R88.3Confident86Confident133 Ų13351.2 Ų51.250%0.50226%0.257SS..Hα-helixtrans-62.7-48.6176.7-174.1-173.8-57.9172.43.7111.8F336 T338 P339 K340 T345 F346F336-R342 HydrophobicContact CD1-CG 4.4Å; F336-R342 PolarHBondContact O-NE 3.38Å; F336-R342 PolarHBondContact O-NH2 3.38Å; T338-R342 WeakPolarHBondContact O-CB 3.48Å; T338-R342 PolarHBondContact O-N 3.21Å; P339-R342 PolarHBondContact O-N 3.5Å; K340-R342 VanDerWaalsContact C-N 3.3Å; K340-R342 PolarHBondContact O-N 2.73Å; R342-T345 PolarHBondContact O-N 3.38Å; R342-F346 WeakPolarHBondContact O-CB 3.37Å; R342-F346 PolarHBondContact O-N 3.11Å
343V88.8Confident87.3Confident82 Ų8251.8 Ų51.850%0.49725%0.252SS..Hα-helixtrans-61-46.9177.4173.20000110.4P339 K340 T345 F346 C347P339-V343 WeakPolarHBondContact O-CG2 3.44Å; P339-V343 PolarHBondContact O-N 2.91Å; P339-V343 VanDerWaalsContact O-N 3.13Å; K340-V343 PolarHBondContact O-N 3.44Å; V343-T345 PolarHBondContact O-N 2.89Å; V343-F346 PolarHBondContact O-N 2.91Å; V343-C347 WeakPolarHBondContact O-CB 3.19Å; V343-C347 PolarHBondContact O-N 3.19Å; V343-C347 PolarHBondContact O-SG 3.16Å
344M88.5Confident88.3Confident9 Ų945.8 Ų45.84%0.04422%0.221CC..Hα-helixtrans-59.4-46.3177.6-172.1-177.585.200112K340 M341 L348 L454 F455 L510K340-M344 WeakPolarHBondContact O-CB 3.37Å; K340-M344 PolarHBondContact O-N 3.48Å; M341-M344 HydrophobicContact CE-CE 3.61Å; M341-M344 PolarHBondContact O-N 2.85Å; M341-M344 HydrophobicContact SD-CE 3.84Å; M344-L348 HydrophobicContact CG-CD1 4.17Å; M344-L348 WeakPolarHBondContact O-CB 3.14Å; M344-L348 VanDerWaalsContact O-CG 3.32Å; M344-L348 WeakPolarHBondContact O-CG 2.95Å; M344-L348 PolarHBondContact O-N 2.84Å; M344-L454 HydrophobicContact CE-CB 4.17Å; M344-L454 HydrophobicContact CG-CB 4.46Å; M344-L454 HydrophobicContact CG-CD1 4.48Å; M344-L454 HydrophobicContact CG-CD2 4.18Å; M344-L454 HydrophobicContact SD-CB 3.73Å; M344-L454 HydrophobicContact SD-CD2 3.69Å; M344-L454 HydrophobicContact SD-CG 4.22Å; M344-F455 HydrophobicContact CE-CD1 3.36Å; M344-F455 HydrophobicContact CE-CE1 3.59Å; M344-F455 HydrophobicContact CE-CG 4.07Å; M344-F455 HydrophobicContact CE-CZ 4.46Å; M344-L510 HydrophobicContact CB-CD2 4.46Å; M344-L510 HydrophobicContact CG-CD2 3.93Å
345T90Very high89.1Confident0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-63.7-43.4179-56.60000111L335 F336 M341 R342 V343 L348 S349L335-T345 HydrophobicContact CB-CG2 4.49Å; L335-T345 HydrophobicContact CD2-CG2 4.14Å; F336-T345 HydrophobicContact CE1-CG2 3.79Å; F336-T345 HydrophobicContact CZ-CG2 3.84Å; M341-T345 VanDerWaalsContact O-CB 3.28Å; M341-T345 WeakPolarHBondContact O-CB 3.46Å; M341-T345 PolarHBondContact O-N 2.73Å; M341-T345 PolarHBondContact O-OG1 3.15Å; R342-T345 PolarHBondContact O-N 3.38Å; V343-T345 PolarHBondContact O-N 2.89Å; T345-L348 PolarHBondContact O-N 3.16Å; T345-S349 VanDerWaalsContact O-CB 3.27Å; T345-S349 WeakPolarHBondContact O-CB 3.46Å; T345-S349 PolarHBondContact O-N 3.32Å; T345-S349 PolarHBondContact O-OG 2.91Å
346F91.8Very high89.8Confident153 Ų15345 Ų4567%0.67122%0.217SC*.Hα-helixtrans-65.9-46178.7-169.3-96000112.3R342 V343 S349 A350R342-F346 WeakPolarHBondContact O-CB 3.37Å; R342-F346 PolarHBondContact O-N 3.11Å; V343-F346 PolarHBondContact O-N 2.91Å; F346-S349 PolarHBondContact O-N 2.83Å; F346-A350 WeakPolarHBondContact O-CB 3.2Å; F346-A350 PolarHBondContact O-N 2.98Å
347C92.1Very high90.3Very high9 Ų942.4 Ų42.46%0.06121%0.206CC..Hα-helixtrans-61.1-45.5175.9-74.30000111.7V343 A350 T351 A506 L510V343-C347 WeakPolarHBondContact O-CB 3.19Å; V343-C347 PolarHBondContact O-N 3.19Å; V343-C347 PolarHBondContact O-SG 3.16Å; C347-A350 PolarHBondContact O-N 3.35Å; C347-T351 WeakPolarHBondContact O-CB 3.49Å; C347-T351 PolarHBondContact O-N 2.99Å; C347-T351 PolarHBondContact O-OG1 3.24Å; C347-A506 PolarHBondContact SG-O 3.48Å; C347-L510 HydrophobicContact CB-CD1 4.31Å; C347-L510 HydrophobicContact CB-CD2 3.67Å; C347-L510 HydrophobicContact CB-CG 3.88Å
348L92.1Very high90.8Very high1 Ų133.5 Ų33.51%0.00517%0.172CC..Hα-helixtrans-64.2-44.2175.3-73.2176.1000111.5M344 T345 A350 T351 W352 Y450 L454 F455 V467 L510M344-L348 HydrophobicContact CG-CD1 4.17Å; M344-L348 WeakPolarHBondContact O-CB 3.14Å; M344-L348 VanDerWaalsContact O-CG 3.32Å; M344-L348 WeakPolarHBondContact O-CG 2.95Å; M344-L348 PolarHBondContact O-N 2.84Å; T345-L348 PolarHBondContact O-N 3.16Å; L348-A350 VanDerWaalsContact C-N 3.33Å; L348-A350 PolarHBondContact O-N 2.98Å; L348-T351 WeakPolarHBondContact O-CB 3.35Å; L348-T351 PolarHBondContact O-N 3.46Å; L348-W352 WeakPolarHBondContact O-CB 3.2Å; L348-W352 PolarHBondContact O-N 2.9Å; L348-Y450 HydrophobicContact CD2-CD1 4.47Å; L348-L454 HydrophobicContact CD1-CB 4.35Å; L348-L454 HydrophobicContact CD1-CD1 3.88Å; L348-L454 HydrophobicContact CD2-CD1 3.78Å; L348-L454 HydrophobicContact CG-CD1 4.14Å; L348-F455 HydrophobicContact CD1-CD2 4.37Å; L348-F455 HydrophobicContact CD1-CE1 4.48Å; L348-F455 HydrophobicContact CD1-CE2 3.65Å; L348-F455 HydrophobicContact CD1-CZ 3.71Å; L348-V467 HydrophobicContact CB-CG1 3.79Å; L348-L510 HydrophobicContact CD2-CD1 3.8Å; L348-L510 HydrophobicContact CD2-CD2 4.31Å; L348-L510 HydrophobicContact CG-CD1 4.33Å; L348-L510 HydrophobicContact CG-CD2 4.02Å
349S93.9Very high91.2Very high12 Ų1233.2 Ų33.28%0.08417%0.169CC..Hα-helixtrans-56.4-46175.6-71.20000112.2T345 F346 T351 W352 L353 W466T345-S349 VanDerWaalsContact O-CB 3.27Å; T345-S349 WeakPolarHBondContact O-CB 3.46Å; T345-S349 PolarHBondContact O-N 3.32Å; T345-S349 PolarHBondContact O-OG 2.91Å; F346-S349 PolarHBondContact O-N 2.83Å; S349-T351 VanDerWaalsContact C-N 3.35Å; S349-T351 PolarHBondContact O-N 3.48Å; S349-W352 PolarHBondContact O-N 3.43Å; S349-L353 WeakPolarHBondContact O-CB 3.49Å; S349-L353 PolarHBondContact O-N 3.03Å; S349-W466 VanDerWaalsContact OG-CD1 3.25Å; S349-W466 PolarHBondContact OG-NE1 3.34Å
350A94.1Very high91.4Very high32 Ų3229.8 Ų29.826%0.26414%0.144SC..Hα-helixtrans-62.6-41.9176.800000112F346 C347 L348 S354F346-A350 WeakPolarHBondContact O-CB 3.2Å; F346-A350 PolarHBondContact O-N 2.98Å; C347-A350 PolarHBondContact O-N 3.35Å; L348-A350 VanDerWaalsContact C-N 3.33Å; L348-A350 PolarHBondContact O-N 2.98Å; A350-S354 WeakPolarHBondContact O-CB 3.28Å; A350-S354 PolarHBondContact O-N 3.24Å
351T93.9Very high91.6Very high1 Ų125.9 Ų25.91%0.00613%0.128CC..Hα-helixtrans-63.3-47.8178.5-55.20000111.6C347 L348 S349 T355 Q404 L408 C447C347-T351 WeakPolarHBondContact O-CB 3.49Å; C347-T351 PolarHBondContact O-N 2.99Å; C347-T351 PolarHBondContact O-OG1 3.24Å; L348-T351 WeakPolarHBondContact O-CB 3.35Å; L348-T351 PolarHBondContact O-N 3.46Å; S349-T351 VanDerWaalsContact C-N 3.35Å; S349-T351 PolarHBondContact O-N 3.48Å; T351-T355 VanDerWaalsContact O-CB 3.3Å; T351-T355 WeakPolarHBondContact O-CB 3.42Å; T351-T355 PolarHBondContact O-N 3.09Å; T351-T355 PolarHBondContact O-OG1 3.1Å; T351-Q404 HydrophobicContact CG2-CG 4.1Å; T351-L408 HydrophobicContact CG2-CD1 3.66Å; T351-C447 VanDerWaalsContact CG2-SG 3.57Å
352W94.4Very high91.7Very high1 Ų126.8 Ų26.80%0.00413%0.133CC..Hα-helixtrans-66.6-45178.3-85.479.7000112.4L348 S349 S356 C447 Y448 S451 V467 A471L348-W352 WeakPolarHBondContact O-CB 3.2Å; L348-W352 PolarHBondContact O-N 2.9Å; S349-W352 PolarHBondContact O-N 3.43Å; W352-S356 VanDerWaalsContact O-CB 3.31Å; W352-S356 WeakPolarHBondContact O-CB 3.4Å; W352-S356 PolarHBondContact O-N 2.87Å; W352-C447 HydrophobicContact CD2-CB 4.12Å; W352-C447 HydrophobicContact CG-CB 4.46Å; W352-C447 HydrophobicContact CZ2-CB 3.96Å; W352-C447 WeakPolarHBondContact CZ2-O 3.48Å; W352-Y448 AromaticContact CH2-CD1 3.55Å; W352-Y448 HydrophobicContact CH2-CD1 3.55Å; W352-Y448 AromaticContact CH2-CD2 3.74Å; W352-Y448 HydrophobicContact CH2-CD2 3.74Å; W352-Y448 AromaticContact CH2-CE1 3.49Å; W352-Y448 HydrophobicContact CH2-CE1 3.49Å; W352-Y448 VanDerWaalsContact CH2-CE1 3.49Å; W352-Y448 AromaticContact CH2-CE2 3.66Å; W352-Y448 HydrophobicContact CH2-CE2 3.66Å; W352-Y448 AromaticContact CH2-CG 3.66Å; W352-Y448 HydrophobicContact CH2-CG 3.66Å; W352-Y448 AromaticContact CH2-CZ 3.52Å; W352-Y448 HydrophobicContact CZ2-CD1 4.3Å; W352-Y448 HydrophobicContact CZ2-CG 4.25Å; W352-Y448 HydrophobicContact CZ3-CD1 4.5Å; W352-Y448 HydrophobicContact CZ3-CD2 4.24Å; W352-Y448 HydrophobicContact CZ3-CE1 4.08Å; W352-Y448 AromaticContact CZ3-CE2 3.77Å; W352-Y448 HydrophobicContact CZ3-CE2 3.77Å; W352-Y448 AromaticContact CZ3-CZ 3.66Å; W352-S451 PolarHBondContact NE1-OG 2.85Å; W352-V467 HydrophobicContact CB-CB 4.42Å; W352-V467 WeakPolarHBondContact CB-O 3.48Å; W352-V467 HydrophobicContact CD2-CB 4.19Å; W352-V467 HydrophobicContact CD2-CG2 4.06Å; W352-V467 HydrophobicContact CG-CB 3.87Å; W352-V467 HydrophobicContact CG-CG2 4.23Å; W352-V467 HydrophobicContact CZ2-CG2 4Å; W352-A471 HydrophobicContact CB-CB 4.09Å; W352-A471 HydrophobicContact CD2-CB 4.47Å; W352-A471 HydrophobicContact CE3-CB 3.62Å; W352-A471 HydrophobicContact CZ3-CB 4.47Å
353L94.9Very high91.5Very high62 Ų6220.5 Ų20.533%0.32511%0.109SC..Hα-helixtrans-58.5-51.4176.7-175.8155.2000110.2S349 S356 F357 M470S349-L353 WeakPolarHBondContact O-CB 3.49Å; S349-L353 PolarHBondContact O-N 3.03Å; L353-S356 PolarHBondContact O-N 3.36Å; L353-F357 WeakPolarHBondContact O-CB 3.46Å; L353-F357 PolarHBondContact O-N 3.49Å; L353-M470 HydrophobicContact CB-CB 4.44Å
354S94.9Very high91.1Very high4 Ų417.3 Ų17.33%0.0289%0.089CC..Hα-helixtrans-66.6-42-177.5179.30000113A350 F357 A358 A499 P500 S503A350-S354 WeakPolarHBondContact O-CB 3.28Å; A350-S354 PolarHBondContact O-N 3.24Å; S354-F357 PolarHBondContact O-N 3.38Å; S354-A358 WeakPolarHBondContact O-CB 3.13Å; S354-A358 PolarHBondContact O-N 3.03Å; S354-A499 PolarHBondContact OG-O 3.15Å; S354-P500 WeakPolarHBondContact OG-CA 3.39Å; S354-S503 WeakPolarHBondContact CB-OG 3.47Å; S354-S503 PolarHBondContact OG-OG 2.75Å
355T94Very high90.4Very high0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-60-48.8177.2-580000110.4T351 Y359 S443 F444T351-T355 VanDerWaalsContact O-CB 3.3Å; T351-T355 WeakPolarHBondContact O-CB 3.42Å; T351-T355 PolarHBondContact O-N 3.09Å; T351-T355 PolarHBondContact O-OG1 3.1Å; T355-Y359 WeakPolarHBondContact O-CB 3.46Å; T355-Y359 PolarHBondContact O-N 2.87Å; T355-S443 WeakPolarHBondContact CG2-OG 3.39Å; T355-S443 PolarHBondContact OG1-OG 2.89Å; T355-F444 HydrophobicContact CG2-CB 4.34Å; T355-F444 HydrophobicContact CG2-CD1 4.2Å; T355-F444 HydrophobicContact CG2-CD2 3.6Å; T355-F444 HydrophobicContact CG2-CE1 4.47Å; T355-F444 HydrophobicContact CG2-CE2 3.93Å; T355-F444 HydrophobicContact CG2-CG 3.77Å; T355-F444 HydrophobicContact CG2-CZ 4.36Å
356S93.4Very high89.7Confident2 Ų218.4 Ų18.41%0.01410%0.095CC..Hα-helixtrans-65.8-45179.7-170.20000112.2W352 L353 A358 Y359 Y360 F444 A471W352-S356 VanDerWaalsContact O-CB 3.31Å; W352-S356 WeakPolarHBondContact O-CB 3.4Å; W352-S356 PolarHBondContact O-N 2.87Å; L353-S356 PolarHBondContact O-N 3.36Å; S356-A358 PolarHBondContact O-N 3.5Å; S356-Y359 PolarHBondContact O-N 3.35Å; S356-Y360 WeakPolarHBondContact O-CB 3.48Å; S356-Y360 VanDerWaalsContact O-CD2 3.26Å; S356-Y360 WeakPolarHBondContact O-CD2 3.1Å; S356-Y360 PolarHBondContact O-N 3.23Å; S356-F444 VanDerWaalsContact CA-CZ 3.43Å; S356-A471 WeakPolarHBondContact CB-O 3.34Å; S356-A471 PolarHBondContact OG-O 3.02Å
357F93.3Very high88.7Confident10 Ų1014.6 Ų14.64%0.0448%0.079CC..Hα-helixtrans-55.9-52.9177.7171.8-102.2000112.2L353 S354 G361 G474 V477 A478 V481 I495 Y496 A499L353-F357 WeakPolarHBondContact O-CB 3.46Å; L353-F357 PolarHBondContact O-N 3.49Å; S354-F357 PolarHBondContact O-N 3.38Å; F357-G361 PolarHBondContact O-N 3.43Å; F357-G474 WeakPolarHBondContact CA-O 3.1Å; F357-V477 HydrophobicContact CD2-CB 4.4Å; F357-V477 HydrophobicContact CD2-CG1 4.35Å; F357-V477 HydrophobicContact CE2-CG1 4.1Å; F357-A478 HydrophobicContact CD2-CB 3.84Å; F357-A478 HydrophobicContact CE2-CB 4.24Å; F357-A478 WeakPolarHBondContact O-CB 3.18Å; F357-V481 HydrophobicContact CE2-CB 4.06Å; F357-V481 HydrophobicContact CE2-CG2 3.67Å; F357-V481 HydrophobicContact CZ-CB 4.02Å; F357-V481 HydrophobicContact CZ-CG1 4.1Å; F357-V481 HydrophobicContact CZ-CG2 3.8Å; F357-I495 HydrophobicContact CE1-CG2 3.77Å; F357-I495 HydrophobicContact CZ-CG2 3.63Å; F357-Y496 AromaticContact CD1-CD1 3.9Å; F357-Y496 HydrophobicContact CD1-CD1 3.9Å; F357-Y496 HydrophobicContact CD1-CE1 4.35Å; F357-Y496 HydrophobicContact CD2-CE1 4.35Å; F357-Y496 AromaticContact CE1-CD1 3.3Å; F357-Y496 HydrophobicContact CE1-CD1 3.3Å; F357-Y496 AromaticContact CE1-CE1 3.75Å; F357-Y496 HydrophobicContact CE1-CE1 3.75Å; F357-Y496 HydrophobicContact CE1-CG 4.33Å; F357-Y496 HydrophobicContact CE2-CD1 4.18Å; F357-Y496 AromaticContact CE2-CE1 3.73Å; F357-Y496 HydrophobicContact CE2-CE1 3.73Å; F357-Y496 AromaticContact CZ-CD1 3.45Å; F357-Y496 HydrophobicContact CZ-CD1 3.45Å; F357-Y496 VanDerWaalsContact CZ-CD1 3.45Å; F357-Y496 AromaticContact CZ-CE1 3.37Å; F357-Y496 HydrophobicContact CZ-CE1 3.37Å; F357-A499 HydrophobicContact CD1-CB 4.23Å; F357-A499 HydrophobicContact CE1-CB 4.33Å
358A93.1Very high87.8Confident0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-70.6-37.5-179.900000112.4S354 S356 Y360 G361 L362 L440 P500S354-A358 WeakPolarHBondContact O-CB 3.13Å; S354-A358 PolarHBondContact O-N 3.03Å; S356-A358 PolarHBondContact O-N 3.5Å; A358-Y360 PolarHBondContact O-N 3.17Å; A358-G361 PolarHBondContact O-N 3.13Å; A358-L362 WeakPolarHBondContact O-CB 3.5Å; A358-L362 PolarHBondContact O-N 3.01Å; A358-L440 HydrophobicContact CB-CD1 3.83Å; A358-L440 HydrophobicContact CB-CD2 3.76Å; A358-L440 HydrophobicContact CB-CG 4.47Å; A358-P500 HydrophobicContact CB-CG 3.58Å
359Y91.7Very high86.8Confident16 Ų1618.5 Ų18.56%0.06310%0.095CC..Hα-helixtrans-60.9-48178.8178.1-86.4000111.5T355 S356 S363 K437 L440 A441 F444T355-Y359 WeakPolarHBondContact O-CB 3.46Å; T355-Y359 PolarHBondContact O-N 2.87Å; S356-Y359 PolarHBondContact O-N 3.35Å; Y359-S363 WeakPolarHBondContact O-CB 3.3Å; Y359-S363 PolarHBondContact O-N 3.06Å; Y359-K437 VanDerWaalsContact CD1-NZ 3.26Å; Y359-K437 HydrophobicContact CD2-CD 4.43Å; Y359-K437 HydrophobicContact CE2-CD 4.43Å; Y359-K437 PolarHBondContact O-NZ 3.23Å; Y359-L440 HydrophobicContact CD2-CB 4.13Å; Y359-A441 HydrophobicContact CE2-CB 4.16Å; Y359-F444 AromaticContact CD1-CE2 3.9Å; Y359-F444 HydrophobicContact CD1-CE2 3.9Å; Y359-F444 AromaticContact CD2-CD2 3.87Å; Y359-F444 HydrophobicContact CD2-CD2 3.87Å; Y359-F444 AromaticContact CD2-CE2 3.95Å; Y359-F444 HydrophobicContact CD2-CE2 3.95Å; Y359-F444 HydrophobicContact CE2-CD2 4.41Å; Y359-F444 AromaticContact CG-CD2 3.96Å; Y359-F444 HydrophobicContact CG-CD2 3.96Å; Y359-F444 AromaticContact CG-CE2 3.53Å; Y359-F444 HydrophobicContact CG-CE2 3.53Å
360Y88.6Confident85.4Confident16 Ų1620.2 Ų20.26%0.06311%0.114CC..Hα-helixtrans-75.8-36.8-179.7-77.7-65.6000112.1N35 M148 S356 A358 L362 S363 M364N35-Y360 WeakPolarHBondContact ND2-CE1 3.35Å; N35-Y360 PolarHBondContact ND2-OH 2.79Å; N35-Y360 VanDerWaalsContact ND2-OH 3.07Å; M148-Y360 HydrophobicContact CE-CD1 3.6Å; M148-Y360 HydrophobicContact CE-CE1 3.51Å; M148-Y360 HydrophobicContact CE-CE2 4.49Å; M148-Y360 HydrophobicContact CE-CG 4.11Å; S356-Y360 WeakPolarHBondContact O-CB 3.48Å; S356-Y360 VanDerWaalsContact O-CD2 3.26Å; S356-Y360 WeakPolarHBondContact O-CD2 3.1Å; S356-Y360 PolarHBondContact O-N 3.23Å; A358-Y360 PolarHBondContact O-N 3.17Å; Y360-L362 VanDerWaalsContact C-N 3.31Å; Y360-L362 PolarHBondContact O-N 3.39Å; Y360-S363 PolarHBondContact O-N 3.07Å; Y360-M364 HydrophobicContact CD1-CE 3.66Å; Y360-M364 HydrophobicContact CG-CE 4.06Å; Y360-M364 VanDerWaalsContact O-CB 3.3Å; Y360-M364 WeakPolarHBondContact O-CB 3.35Å; Y360-M364 WeakPolarHBondContact O-CG 3.26Å; Y360-M364 PolarHBondContact O-N 2.95Å
361G88.1Confident84.6Confident1 Ų120.7 Ų20.71%0.0111%0.114CC..Hα-helixtrans-55.3-46172.900000112.5F357 A358F357-G361 PolarHBondContact O-N 3.43Å; A358-G361 PolarHBondContact O-N 3.13Å
362L86.8Confident84.2Confident19 Ų1924.6 Ų24.610%0.09913%0.134CC..Hα-helixtrans-72.3-38.3177.9-166.266.3000112.7A358 Y360 M364 F369 F380 A433 K437A358-L362 WeakPolarHBondContact O-CB 3.5Å; A358-L362 PolarHBondContact O-N 3.01Å; Y360-L362 VanDerWaalsContact C-N 3.31Å; Y360-L362 PolarHBondContact O-N 3.39Å; L362-M364 VanDerWaalsContact C-N 3.29Å; L362-M364 PolarHBondContact O-N 3.36Å; L362-F369 HydrophobicContact CD1-CE2 4.41Å; L362-F369 HydrophobicContact CD1-CZ 3.71Å; L362-F380 HydrophobicContact CG-CE2 4.38Å; L362-F380 HydrophobicContact CG-CZ 4.33Å; L362-A433 HydrophobicContact CD1-CB 4.42Å; L362-A433 WeakPolarHBondContact CD2-O 3.43Å; L362-K437 HydrophobicContact CD2-CB 3.77Å; L362-K437 HydrophobicContact CD2-CD 4.15Å
363S84.2Confident83.7Confident0 Ų025 Ų250%014%0.137CC..Hα-helixtrans-69.5-23.2178.9-1010000114.6N39 Y359 Y360 L366 K437N39-S363 PolarHBondContact ND2-O 2.94Å; Y359-S363 WeakPolarHBondContact O-CB 3.3Å; Y359-S363 PolarHBondContact O-N 3.06Å; Y360-S363 PolarHBondContact O-N 3.07Å; S363-L366 WeakPolarHBondContact O-CG 3.47Å; S363-K437 WeakPolarHBondContact OG-CE 3.38Å; S363-K437 PolarHBondContact OG-NZ 3.01Å
364M79.2Confident83.4Confident16 Ų1623.2 Ų23.28%0.07913%0.126CC..Hα-helixtrans-93.9-11.4-176.3-68.3172.8-177.900112.9Q144 M148 Y360 L362 P479Q144-M364 HydrophobicContact CG-CE 3.64Å; Q144-M364 HydrophobicContact CG-SD 3.52Å; Q144-M364 VanDerWaalsContact CG-SD 3.52Å; M148-M364 HydrophobicContact CE-CE 3.29Å; M148-M364 HydrophobicContact CG-CE 4.39Å; Y360-M364 HydrophobicContact CD1-CE 3.66Å; Y360-M364 HydrophobicContact CG-CE 4.06Å; Y360-M364 VanDerWaalsContact O-CB 3.3Å; Y360-M364 WeakPolarHBondContact O-CB 3.35Å; Y360-M364 WeakPolarHBondContact O-CG 3.26Å; Y360-M364 PolarHBondContact O-N 2.95Å; L362-M364 VanDerWaalsContact C-N 3.29Å; L362-M364 PolarHBondContact O-N 3.36Å; M364-P479 HydrophobicContact SD-CG 3.74Å
365D74.2Confident83.2Confident26 Ų2627.6 Ų27.614%0.13915%0.148CC..  trans-105.940.3-176.9-154.112.2000113.3Q367 K368 F369 Q482D365-Q367 PolarHBondContact O-N 3.43Å; D365-K368 PolarHBondContact O-N 3.12Å; D365-K368 WeakPolarHBondContact OD1-CD 3.35Å; D365-K368 WeakPolarHBondContact OD1-CE 3.44Å; D365-K368 WeakPolarHBondContact OD1-CG 3.46Å; D365-K368 IonicContact OD1-NZ 3.23Å; D365-K368 WeakPolarHBondContact OD2-CD 3.48Å; D365-K368 WeakPolarHBondContact OD2-CE 3.44Å; D365-K368 IonicContact OD2-NZ 3.54Å; D365-K368 PolarHBondContact OD2-NZ 2.92Å; D365-F369 VanDerWaalsContact O-CE2 3.28Å; D365-F369 WeakPolarHBondContact O-CE2 3.44Å; D365-Q482 VanDerWaalsContact CB-NE2 3.3Å; D365-Q482 PolarHBondContact OD1-NE2 3.1Å
366L75.2Confident82.9Confident5 Ų527.6 Ų27.63%0.02615%0.148CC..G310 helixtrans-63.7-25.9-174-60.2179.4000113.8N39 S363 K368 I376 Q377 F380N39-L366 HydrophobicContact CB-CD1 4.04Å; N39-L366 WeakPolarHBondContact ND2-CD1 3.48Å; S363-L366 WeakPolarHBondContact O-CG 3.47Å; L366-K368 VanDerWaalsContact C-N 3.25Å; L366-K368 PolarHBondContact O-N 3.31Å; L366-I376 HydrophobicContact CB-CG2 3.92Å; L366-I376 HydrophobicContact CD1-CG2 4.35Å; L366-I376 HydrophobicContact CD2-CG1 4.25Å; L366-I376 HydrophobicContact CD2-CG2 4.1Å; L366-I376 HydrophobicContact CG-CG2 4.34Å; L366-Q377 HydrophobicContact CD1-CB 4.19Å; L366-F380 HydrophobicContact CD2-CD2 3.56Å; L366-F380 HydrophobicContact CD2-CE2 3.39Å; L366-F380 HydrophobicContact CD2-CZ 4.3Å
367Q71.1Confident82.7Confident73 Ų7327.5 Ų27.534%0.34115%0.148SC..G310 helixtrans-70.2-17.8-174-61.7-171.2-6800113.4V44 D365 I373V44-Q367 VanDerWaalsContact N-NE2 3.12Å; V44-Q367 PolarHBondContact O-NE2 2.91Å; D365-Q367 PolarHBondContact O-N 3.43Å; Q367-I373 HydrophobicContact CG-CG2 4.14Å
368K72.6Confident82.7Confident84 Ų8429.4 Ų29.437%0.36516%0.16SC..G310 helixtrans-83-9.9-176.7-68.6-171.3-169158.30114.8D365 L366 G370D365-K368 PolarHBondContact O-N 3.12Å; D365-K368 WeakPolarHBondContact OD1-CD 3.35Å; D365-K368 WeakPolarHBondContact OD1-CE 3.44Å; D365-K368 WeakPolarHBondContact OD1-CG 3.46Å; D365-K368 IonicContact OD1-NZ 3.23Å; D365-K368 WeakPolarHBondContact OD2-CD 3.48Å; D365-K368 WeakPolarHBondContact OD2-CE 3.44Å; D365-K368 IonicContact OD2-NZ 3.54Å; D365-K368 PolarHBondContact OD2-NZ 2.92Å; L366-K368 VanDerWaalsContact C-N 3.25Å; L366-K368 PolarHBondContact O-N 3.31Å; K368-G370 VanDerWaalsContact C-N 3.33Å; K368-G370 PolarHBondContact O-N 3.02Å
369F70.6Confident82.6Confident9 Ų932 Ų324%0.03917%0.173CC..G310 helixtrans-860.9-171.5-64.8-69.2000114.5L362 D365 V371 I376 F380 R429 T430 A433L362-F369 HydrophobicContact CD1-CE2 4.41Å; L362-F369 HydrophobicContact CD1-CZ 3.71Å; D365-F369 VanDerWaalsContact O-CE2 3.28Å; D365-F369 WeakPolarHBondContact O-CE2 3.44Å; F369-V371 PolarHBondContact O-N 2.92Å; F369-I376 HydrophobicContact CD2-CG1 4.43Å; F369-F380 HydrophobicContact CE2-CZ 4.29Å; F369-R429 HydrophobicContact CD1-CG 4.25Å; F369-R429 HydrophobicContact CE1-CG 4.48Å; F369-T430 PolarHBondContact O-OG1 3.39Å; F369-A433 HydrophobicContact CD1-CB 3.94Å; F369-A433 HydrophobicContact CE1-CB 3.35Å; F369-A433 HydrophobicContact CZ-CB 3.77Å
370G65.9Low82.6Confident47 Ų4731.2 Ų31.249%0.48517%0.17SC..SBendtrans67.3-1.8176.700000114.9K368K368-G370 VanDerWaalsContact C-N 3.33Å; K368-G370 PolarHBondContact O-N 3.02Å
371V77.1Confident82.6Confident42 Ų4230.5 Ų30.526%0.25517%0.167SC..SBendtrans-99.3151.7174.6-179.30000108.8F369 I373 L375 T430F369-V371 PolarHBondContact O-N 2.92Å; V371-I373 PolarHBondContact O-N 3.39Å; V371-L375 HydrophobicContact CG1-CB 4.15Å; V371-L375 HydrophobicContact CG1-CD2 3.82Å; V371-L375 HydrophobicContact CG1-CG 4.19Å; V371-T430 HydrophobicContact CG2-CG2 4.4Å
372N84.5Confident82.9Confident83 Ų8332.4 Ų32.444%0.44418%0.183SC..  trans-52.3130.8173.9-172.7-43.4000111Y374 L375 I376N372-Y374 PolarHBondContact O-N 2.91Å; N372-Y374 WeakPolarHBondContact OD1-CD2 3.39Å; N372-Y374 PolarHBondContact OD1-N 3.41Å; N372-L375 HydrophobicContact CB-CB 4.44Å; N372-L375 PolarHBondContact O-N 3.38Å; N372-I376 PolarHBondContact O-N 3.49Å
373I84.8Confident83.2Confident10 Ų1032.8 Ų32.85%0.05119%0.186CC..Hα-helixtrans-56.8-31.8-176.858.5156.7000113.5F40 M43 M122 Q367 V371 I376 Q377F40-I373 HydrophobicContact CD1-CD1 3.82Å; F40-I373 HydrophobicContact CE1-CD1 4.06Å; F40-I373 HydrophobicContact CE1-CG1 4.43Å; M43-I373 HydrophobicContact CE-CD1 3.86Å; M43-I373 HydrophobicContact CE-CG1 4.04Å; M43-I373 HydrophobicContact CE-CG2 4.05Å; M43-I373 HydrophobicContact CG-CD1 4.14Å; M43-I373 HydrophobicContact SD-CD1 3.4Å; M43-I373 WeakPolarHBondContact SD-CD1 3.24Å; M43-I373 HydrophobicContact SD-CG1 4.21Å; M122-I373 HydrophobicContact CE-CD1 3.82Å; Q367-I373 HydrophobicContact CG-CG2 4.14Å; V371-I373 PolarHBondContact O-N 3.39Å; I373-I376 VanDerWaalsContact O-CG2 3.28Å; I373-I376 WeakPolarHBondContact O-CG2 3.39Å; I373-Q377 WeakPolarHBondContact O-CB 3.37Å; I373-Q377 PolarHBondContact O-N 2.98Å
374Y88.7Confident83.4Confident25 Ų2533 Ų3310%0.09819%0.187CC..Hα-helixtrans-68.3-45.3177.4-60-70.4000110.4F40 M122 P244 A247 Y248 N372 Q377 V378F40-Y374 AromaticContact CD1-CD1 3.85Å; F40-Y374 HydrophobicContact CD1-CD1 3.85Å; F40-Y374 AromaticContact CD1-CE1 3.58Å; F40-Y374 HydrophobicContact CD1-CE1 3.58Å; F40-Y374 AromaticContact CE1-CD1 3.37Å; F40-Y374 HydrophobicContact CE1-CD1 3.37Å; F40-Y374 AromaticContact CE1-CE1 3.63Å; F40-Y374 HydrophobicContact CE1-CE1 3.63Å; F40-Y374 HydrophobicContact CE1-CG 4.25Å; F40-Y374 HydrophobicContact CZ-CD1 4.35Å; M122-Y374 HydrophobicContact CE-CE2 4.5Å; M122-Y374 VanDerWaalsContact CE-OH 3.24Å; M122-Y374 WeakPolarHBondContact CE-OH 3.3Å; P244-Y374 HydrophobicContact CB-CD1 4.23Å; P244-Y374 WeakPolarHBondContact CB-O 3.1Å; P244-Y374 WeakPolarHBondContact O-CD1 3.4Å; A247-Y374 HydrophobicContact CB-CD1 4.27Å; A247-Y374 HydrophobicContact CB-CE1 3.68Å; A247-Y374 VanDerWaalsContact O-CE1 3.27Å; A247-Y374 WeakPolarHBondContact O-CE1 3.17Å; A247-Y374 PolarHBondContact O-OH 3.45Å; Y248-Y374 HydrophobicContact CD2-CD2 4.1Å; Y248-Y374 HydrophobicContact CD2-CE2 4.22Å; Y248-Y374 HydrophobicContact CD2-CG 4.49Å; N372-Y374 PolarHBondContact O-N 2.91Å; N372-Y374 WeakPolarHBondContact OD1-CD2 3.39Å; N372-Y374 PolarHBondContact OD1-N 3.41Å; Y374-Q377 PolarHBondContact O-N 2.97Å; Y374-V378 WeakPolarHBondContact O-CG2 3.47Å; Y374-V378 PolarHBondContact O-N 3.44Å
375L89.4Confident84Confident96 Ų9635.2 Ų35.250%0.50320%0.199SC..Hα-helixtrans-68.8-45.8-178.1-177.462.7000111.7V371 N372 Q377 V378 I379V371-L375 HydrophobicContact CG1-CB 4.15Å; V371-L375 HydrophobicContact CG1-CD2 3.82Å; V371-L375 HydrophobicContact CG1-CG 4.19Å; N372-L375 HydrophobicContact CB-CB 4.44Å; N372-L375 PolarHBondContact O-N 3.38Å; L375-Q377 VanDerWaalsContact C-N 3.26Å; L375-Q377 PolarHBondContact O-N 3.02Å; L375-V378 PolarHBondContact O-N 3.38Å; L375-V378 VanDerWaalsContact O-N 3.15Å; L375-I379 HydrophobicContact CD1-CD1 4.38Å; L375-I379 HydrophobicContact CD1-CG1 4.49Å; L375-I379 HydrophobicContact CG-CD1 3.93Å; L375-I379 HydrophobicContact CG-CG1 4.47Å; L375-I379 VanDerWaalsContact O-CG1 3.3Å; L375-I379 WeakPolarHBondContact O-CG1 3.46Å; L375-I379 PolarHBondContact O-N 3.49Å
376I88.9Confident84.8Confident0 Ų037.2 Ų37.20%021%0.213CC..Hα-helixtrans-62.1-36179-170.864.3000111.7L366 F369 N372 I373 I379 F380 T430L366-I376 HydrophobicContact CB-CG2 3.92Å; L366-I376 HydrophobicContact CD1-CG2 4.35Å; L366-I376 HydrophobicContact CD2-CG1 4.25Å; L366-I376 HydrophobicContact CD2-CG2 4.1Å; L366-I376 HydrophobicContact CG-CG2 4.34Å; F369-I376 HydrophobicContact CD2-CG1 4.43Å; N372-I376 PolarHBondContact O-N 3.49Å; I373-I376 VanDerWaalsContact O-CG2 3.28Å; I373-I376 WeakPolarHBondContact O-CG2 3.39Å; I376-I379 PolarHBondContact O-N 3.49Å; I376-F380 HydrophobicContact CD1-CD1 4.07Å; I376-F380 HydrophobicContact CD1-CE1 3.67Å; I376-F380 HydrophobicContact CD1-CZ 4.18Å; I376-F380 HydrophobicContact CG1-CD1 4.3Å; I376-F380 HydrophobicContact CG1-CE1 4.02Å; I376-F380 HydrophobicContact CG1-CZ 4.14Å; I376-F380 WeakPolarHBondContact O-CB 3.24Å; I376-F380 WeakPolarHBondContact O-CG 3.43Å; I376-F380 PolarHBondContact O-N 3.12Å; I376-T430 HydrophobicContact CD1-CG2 3.68Å
377Q89.6Confident85.6Confident0 Ų037.7 Ų37.70%022%0.218CC..Hα-helixtrans-64.8-41.5175.3-177.268.53.400111.9F40 P244 L366 I373 Y374 L375 F380 G381F40-Q377 HydrophobicContact CE2-CG 4.13Å; F40-Q377 HydrophobicContact CZ-CB 3.93Å; F40-Q377 HydrophobicContact CZ-CG 3.86Å; P244-Q377 HydrophobicContact CB-CB 4.27Å; P244-Q377 HydrophobicContact CB-CG 4.31Å; P244-Q377 HydrophobicContact CG-CB 4.15Å; P244-Q377 HydrophobicContact CG-CG 3.86Å; L366-Q377 HydrophobicContact CD1-CB 4.19Å; I373-Q377 WeakPolarHBondContact O-CB 3.37Å; I373-Q377 PolarHBondContact O-N 2.98Å; Y374-Q377 PolarHBondContact O-N 2.97Å; L375-Q377 VanDerWaalsContact C-N 3.26Å; L375-Q377 PolarHBondContact O-N 3.02Å; Q377-F380 PolarHBondContact O-N 3.37Å; Q377-G381 PolarHBondContact O-N 2.94Å
378V92.4Very high86.4Confident50 Ų5035.5 Ų35.530%0.30321%0.207SC..Hα-helixtrans-63.3-44.2173.9174.10000110.6M241 P244 Y374 L375 F380 G381 A382M241-V378 HydrophobicContact CE-CG1 4.18Å; P244-V378 HydrophobicContact CB-CG2 4.09Å; P244-V378 HydrophobicContact CG-CG2 3.45Å; P244-V378 VanDerWaalsContact CG-CG2 3.45Å; Y374-V378 WeakPolarHBondContact O-CG2 3.47Å; Y374-V378 PolarHBondContact O-N 3.44Å; L375-V378 PolarHBondContact O-N 3.38Å; L375-V378 VanDerWaalsContact O-N 3.15Å; V378-F380 VanDerWaalsContact C-N 3.34Å; V378-F380 PolarHBondContact O-N 2.88Å; V378-G381 CarbonylContact O-C 3.55Å; V378-G381 PolarHBondContact O-N 2.86Å; V378-A382 VanDerWaalsContact O-CB 3.31Å; V378-A382 WeakPolarHBondContact O-CB 3.48Å; V378-A382 PolarHBondContact O-N 3.34Å
379I91.7Very high87.2Confident54 Ų5434.9 Ų34.928%0.27721%0.211SC..Hα-helixtrans-61.8-42.7178-64.3166.6000110.6L375 I376 G381 A382 V383 V434L375-I379 HydrophobicContact CD1-CD1 4.38Å; L375-I379 HydrophobicContact CD1-CG1 4.49Å; L375-I379 HydrophobicContact CG-CD1 3.93Å; L375-I379 HydrophobicContact CG-CG1 4.47Å; L375-I379 VanDerWaalsContact O-CG1 3.3Å; L375-I379 WeakPolarHBondContact O-CG1 3.46Å; L375-I379 PolarHBondContact O-N 3.49Å; I376-I379 PolarHBondContact O-N 3.49Å; I379-G381 VanDerWaalsContact C-N 3.33Å; I379-G381 PolarHBondContact O-N 2.92Å; I379-A382 PolarHBondContact O-N 2.94Å; I379-V383 PolarHBondContact O-N 3.31Å; I379-V434 HydrophobicContact CG2-CB 4.4Å; I379-V434 HydrophobicContact CG2-CG1 4Å; I379-V434 HydrophobicContact CG2-CG2 3.44Å; I379-V434 VanDerWaalsContact CG2-CG2 3.44Å
380F90.3Very high88.2Confident0 Ų038.8 Ų38.80%024%0.235CC..Hα-helixtrans-65.1-34.5175.6-80.310.7000112.7L362 L366 F369 I376 Q377 V378 V383 A433 V434 K437L362-F380 HydrophobicContact CG-CE2 4.38Å; L362-F380 HydrophobicContact CG-CZ 4.33Å; L366-F380 HydrophobicContact CD2-CD2 3.56Å; L366-F380 HydrophobicContact CD2-CE2 3.39Å; L366-F380 HydrophobicContact CD2-CZ 4.3Å; F369-F380 HydrophobicContact CE2-CZ 4.29Å; I376-F380 HydrophobicContact CD1-CD1 4.07Å; I376-F380 HydrophobicContact CD1-CE1 3.67Å; I376-F380 HydrophobicContact CD1-CZ 4.18Å; I376-F380 HydrophobicContact CG1-CD1 4.3Å; I376-F380 HydrophobicContact CG1-CE1 4.02Å; I376-F380 HydrophobicContact CG1-CZ 4.14Å; I376-F380 WeakPolarHBondContact O-CB 3.24Å; I376-F380 WeakPolarHBondContact O-CG 3.43Å; I376-F380 PolarHBondContact O-N 3.12Å; Q377-F380 PolarHBondContact O-N 3.37Å; V378-F380 VanDerWaalsContact C-N 3.34Å; V378-F380 PolarHBondContact O-N 2.88Å; F380-V383 WeakPolarHBondContact O-CG1 3.45Å; F380-A433 HydrophobicContact CZ-CB 4.37Å; F380-V434 HydrophobicContact CD1-CG2 4.07Å; F380-V434 HydrophobicContact CE1-CG2 3.86Å; F380-K437 HydrophobicContact CB-CG 4.34Å; F380-K437 HydrophobicContact CD1-CB 4.39Å; F380-K437 HydrophobicContact CD1-CG 4.2Å; F380-K437 HydrophobicContact CD2-CD 4.13Å; F380-K437 HydrophobicContact CD2-CG 4.14Å; F380-K437 HydrophobicContact CE1-CB 4.37Å; F380-K437 HydrophobicContact CE2-CD 4.36Å; F380-K437 HydrophobicContact CE2-CG 4.5Å; F380-K437 HydrophobicContact CG-CD 4.46Å; F380-K437 HydrophobicContact CG-CG 3.98Å
381G90.3Very high89.2Confident0 Ų036.9 Ų36.90%021%0.214CC..Hα-helixtrans-71.7-38171.300000112.7T237 Q377 V378 I379 D384T237-G381 WeakPolarHBondContact CG2-O 3.4Å; Q377-G381 PolarHBondContact O-N 2.94Å; V378-G381 CarbonylContact O-C 3.55Å; V378-G381 PolarHBondContact O-N 2.86Å; I379-G381 VanDerWaalsContact C-N 3.33Å; I379-G381 PolarHBondContact O-N 2.92Å; G381-D384 WeakPolarHBondContact O-CB 3.47Å; G381-D384 PolarHBondContact O-N 3.21Å
382A92.7Very high89.7Confident41 Ų4137.7 Ų37.734%0.33922%0.219SC..Hα-helixtrans-68.9-37.8-178.200000112.2M241 V378 I379 D384 I385 P386M241-A382 HydrophobicContact CE-CB 4.15Å; V378-A382 VanDerWaalsContact O-CB 3.31Å; V378-A382 WeakPolarHBondContact O-CB 3.48Å; V378-A382 PolarHBondContact O-N 3.34Å; I379-A382 PolarHBondContact O-N 2.94Å; A382-D384 VanDerWaalsContact C-N 3.3Å; A382-D384 PolarHBondContact O-N 3.28Å; A382-I385 PolarHBondContact O-N 3.46Å; A382-P386 WeakPolarHBondContact O-CD 3.37Å
383V93.4Very high89.9Confident28 Ų2837.2 Ų37.217%0.1722%0.219CC..Hα-helixtrans-70-25.4-179.776.40000113.2I379 F380 I385 P386 A387 V434 K437I379-V383 PolarHBondContact O-N 3.31Å; F380-V383 WeakPolarHBondContact O-CG1 3.45Å; V383-I385 VanDerWaalsContact C-N 3.26Å; V383-I385 PolarHBondContact O-N 3.41Å; V383-P386 VanDerWaalsContact O-CD 3.26Å; V383-P386 WeakPolarHBondContact O-CD 3.32Å; V383-P386 WeakPolarHBondContact O-CG 3.48Å; V383-A387 WeakPolarHBondContact O-CB 3.31Å; V383-A387 PolarHBondContact O-N 2.73Å; V383-A387 VanDerWaalsContact O-N 3.12Å; V383-V434 HydrophobicContact CB-CG1 3.84Å; V383-V434 HydrophobicContact CG1-CG1 4.15Å; V383-V434 HydrophobicContact CG2-CG1 3.7Å; V383-K437 HydrophobicContact CG1-CG 4.42Å
384D89.9Confident90.1Very high4 Ų438.5 Ų38.52%0.02123%0.228CC..Hα-helixtrans-60.2-36.3177.1-94.931000112.1T237 G381 A382 K388 A441T237-D384 HydrophobicContact CG2-CB 3.7Å; G381-D384 WeakPolarHBondContact O-CB 3.47Å; G381-D384 PolarHBondContact O-N 3.21Å; A382-D384 VanDerWaalsContact C-N 3.3Å; A382-D384 PolarHBondContact O-N 3.28Å; D384-K388 WeakPolarHBondContact O-CB 3.23Å; D384-K388 WeakPolarHBondContact O-CD 3.42Å; D384-K388 WeakPolarHBondContact O-CG 3.42Å; D384-K388 PolarHBondContact O-N 3.35Å; D384-A441 WeakPolarHBondContact OD1-CB 3.45Å
385I90.2Very high89.9Confident62 Ų6237.5 Ų37.532%0.31822%0.224SC..Hα-helixtrans-64.5-60.5-177.7-57.1176.3000111.6Y234 T237 M241 A382 V383 A387 K388 V389Y234-I385 HydrophobicContact CD1-CG1 4.45Å; Y234-I385 HydrophobicContact CD1-CG2 4.44Å; Y234-I385 HydrophobicContact CE1-CB 4.48Å; Y234-I385 HydrophobicContact CE1-CG2 3.99Å; T237-I385 HydrophobicContact CG2-CD1 4.38Å; T237-I385 HydrophobicContact CG2-CG1 3.78Å; M241-I385 HydrophobicContact SD-CD1 4.35Å; A382-I385 PolarHBondContact O-N 3.46Å; V383-I385 VanDerWaalsContact C-N 3.26Å; V383-I385 PolarHBondContact O-N 3.41Å; I385-A387 VanDerWaalsContact C-N 3.29Å; I385-A387 PolarHBondContact O-N 3.46Å; I385-K388 PolarHBondContact O-N 2.95Å; I385-V389 PolarHBondContact O-N 2.67Å
386P92.3Very high89.7Confident69 Ų6936.3 Ų36.345%0.44823%0.225SC..Hα-helixtrans-64-35.3178.626.7-34000111.7A382 V383 K388 V389 V390A382-P386 WeakPolarHBondContact O-CD 3.37Å; V383-P386 VanDerWaalsContact O-CD 3.26Å; V383-P386 WeakPolarHBondContact O-CD 3.32Å; V383-P386 WeakPolarHBondContact O-CG 3.48Å; P386-K388 VanDerWaalsContact C-N 3.34Å; P386-K388 PolarHBondContact O-N 3.24Å; P386-V389 PolarHBondContact O-N 2.99Å; P386-V390 WeakPolarHBondContact O-CB 3.31Å; P386-V390 VanDerWaalsContact O-CG2 3.29Å; P386-V390 WeakPolarHBondContact O-CG2 3.19Å; P386-V390 PolarHBondContact O-N 3.22Å
387A91.4Very high89.5Confident15 Ų1544.2 Ų44.212%0.12426%0.259CS..Hα-helixtrans-60.7-42177.100000112.4V383 I385 V391 G438 A442V383-A387 WeakPolarHBondContact O-CB 3.31Å; V383-A387 PolarHBondContact O-N 2.73Å; V383-A387 VanDerWaalsContact O-N 3.12Å; I385-A387 VanDerWaalsContact C-N 3.29Å; I385-A387 PolarHBondContact O-N 3.46Å; A387-V391 WeakPolarHBondContact O-CB 3.46Å; A387-V391 WeakPolarHBondContact O-CG1 3.31Å; A387-V391 PolarHBondContact O-N 3.44Å; A387-G438 VanDerWaalsContact CB-O 3.3Å; A387-G438 WeakPolarHBondContact CB-O 3.2Å; A387-A442 HydrophobicContact CB-CB 4.42Å
388K87.2Confident89.4Confident26 Ų2649.2 Ų49.211%0.11329%0.285CS..Hα-helixtrans-64-38.1174.8-75.6170.3-176.4177.30112.3G233 Y234 T237 D384 I385 P386 V391 T392G233-K388 PolarHBondContact O-NZ 3.29Å; G233-K388 VanDerWaalsContact O-NZ 3.16Å; Y234-K388 HydrophobicContact CD1-CD 4.49Å; Y234-K388 HydrophobicContact CE1-CB 4.28Å; Y234-K388 HydrophobicContact CE1-CD 4.09Å; T237-K388 PolarHBondContact OG1-NZ 2.93Å; D384-K388 WeakPolarHBondContact O-CB 3.23Å; D384-K388 WeakPolarHBondContact O-CD 3.42Å; D384-K388 WeakPolarHBondContact O-CG 3.42Å; D384-K388 PolarHBondContact O-N 3.35Å; I385-K388 PolarHBondContact O-N 2.95Å; P386-K388 VanDerWaalsContact C-N 3.34Å; P386-K388 PolarHBondContact O-N 3.24Å; K388-V391 WeakPolarHBondContact O-CG1 3.3Å; K388-T392 WeakPolarHBondContact O-CB 3.3Å; K388-T392 PolarHBondContact O-N 2.94Å; K388-T392 VanDerWaalsContact O-N 3.17Å; K388-T392 PolarHBondContact O-OG1 3.39Å
389V89.9Confident89Confident72 Ų7246.9 Ų46.944%0.43627%0.27SS..Hα-helixtrans-67.3-52.2176.3175.80000110.6Y234 I385 P386 V391 T392 V393Y234-V389 WeakPolarHBondContact OH-CG2 3.32Å; I385-V389 PolarHBondContact O-N 2.67Å; P386-V389 PolarHBondContact O-N 2.99Å; V389-V391 VanDerWaalsContact C-N 3.31Å; V389-V391 PolarHBondContact O-N 3.17Å; V389-T392 PolarHBondContact O-N 3.04Å; V389-T392 VanDerWaalsContact O-N 3.16Å; V389-V393 WeakPolarHBondContact O-CG2 3.27Å; V389-V393 PolarHBondContact O-N 2.99Å
390V91Very high88.8Confident90 Ų9046.2 Ų46.255%0.54526%0.264SS..Hα-helixtrans-56.2-47.1-179.4170.70000110.5P386 T392 V393 C394P386-V390 WeakPolarHBondContact O-CB 3.31Å; P386-V390 VanDerWaalsContact O-CG2 3.29Å; P386-V390 WeakPolarHBondContact O-CG2 3.19Å; P386-V390 PolarHBondContact O-N 3.22Å; V390-T392 VanDerWaalsContact C-N 3.35Å; V390-T392 PolarHBondContact O-N 3.39Å; V390-V393 PolarHBondContact O-N 3.08Å; V390-C394 PolarHBondContact O-N 2.82Å; V390-C394 PolarHBondContact O-SG 3.15Å
391V88.6Confident88.9Confident7 Ų750.8 Ų50.84%0.04228%0.282CS..Hα-helixtrans-67.7-35.7-178.5830000112.6A387 K388 V389 V393 C394 M395 A442 N445 C446A387-V391 WeakPolarHBondContact O-CB 3.46Å; A387-V391 WeakPolarHBondContact O-CG1 3.31Å; A387-V391 PolarHBondContact O-N 3.44Å; K388-V391 WeakPolarHBondContact O-CG1 3.3Å; V389-V391 VanDerWaalsContact C-N 3.31Å; V389-V391 PolarHBondContact O-N 3.17Å; V391-V393 VanDerWaalsContact C-N 3.31Å; V391-V393 PolarHBondContact O-N 2.94Å; V391-C394 PolarHBondContact O-N 3.24Å; V391-M395 HydrophobicContact CG1-CE 4.29Å; V391-M395 WeakPolarHBondContact O-CB 3.49Å; V391-M395 VanDerWaalsContact O-CG 3.31Å; V391-M395 WeakPolarHBondContact O-CG 3.48Å; V391-M395 PolarHBondContact O-N 3.2Å; V391-A442 HydrophobicContact CB-CB 3.68Å; V391-A442 HydrophobicContact CG1-CB 4.03Å; V391-A442 HydrophobicContact CG2-CB 3.85Å; V391-N445 HydrophobicContact CG1-CB 4.15Å; V391-C446 WeakPolarHBondContact CG2-SG 3.42Å
392T86.8Confident88.9Confident59 Ų5953.3 Ų53.336%0.36230%0.298SS..Hα-helixtrans-64.1-39.4176.2-57.20000111.4K388 V389 V390 S396K388-T392 WeakPolarHBondContact O-CB 3.3Å; K388-T392 PolarHBondContact O-N 2.94Å; K388-T392 VanDerWaalsContact O-N 3.17Å; K388-T392 PolarHBondContact O-OG1 3.39Å; V389-T392 PolarHBondContact O-N 3.04Å; V389-T392 VanDerWaalsContact O-N 3.16Å; V390-T392 VanDerWaalsContact C-N 3.35Å; V390-T392 PolarHBondContact O-N 3.39Å; T392-S396 PolarHBondContact O-N 3.18Å; T392-S396 PolarHBondContact O-OG 2.97Å
393V88.5Confident88.8Confident73 Ų7352 Ų5244%0.44229%0.287SS..Hα-helixtrans-66-49.3173.5173.40000110.2V389 V390 V391 M395 S396 F397V389-V393 WeakPolarHBondContact O-CG2 3.27Å; V389-V393 PolarHBondContact O-N 2.99Å; V390-V393 PolarHBondContact O-N 3.08Å; V391-V393 VanDerWaalsContact C-N 3.31Å; V391-V393 PolarHBondContact O-N 2.94Å; V393-M395 VanDerWaalsContact C-N 3.32Å; V393-M395 PolarHBondContact O-N 3.21Å; V393-S396 WeakPolarHBondContact O-CB 3.36Å; V393-S396 PolarHBondContact O-N 2.95Å; V393-F397 HydrophobicContact CG1-CD2 3.71Å; V393-F397 HydrophobicContact CG1-CE2 3.82Å; V393-F397 WeakPolarHBondContact O-CD2 3.19Å; V393-F397 PolarHBondContact O-N 2.98Å; V393-F397 VanDerWaalsContact O-N 3.14Å
394C88.4Confident88.8Confident37 Ų3750.7 Ų50.725%0.2528%0.279CS..Hα-helixtrans-57.5-42.2177.8-69.90000112.7V390 V391 S396 F397 I398 G399 S403V390-C394 PolarHBondContact O-N 2.82Å; V390-C394 PolarHBondContact O-SG 3.15Å; V391-C394 PolarHBondContact O-N 3.24Å; C394-S396 PolarHBondContact O-N 3.07Å; C394-F397 PolarHBondContact O-N 3.48Å; C394-I398 HydrophobicContact CB-CD1 4.36Å; C394-I398 WeakPolarHBondContact O-CB 3.43Å; C394-I398 PolarHBondContact O-N 3.48Å; C394-G399 PolarHBondContact O-N 3.49Å; C394-S403 VanDerWaalsContact C-OG 3.31Å; C394-S403 PolarHBondContact O-OG 3.18Å
395M85.8Confident88.9Confident4 Ų451.1 Ų51.12%0.0228%0.282CS..Hα-helixtrans-62-32.9177-77.1-170.6-7200112.9V391 V393 R400 S403 C446 L449V391-M395 HydrophobicContact CG1-CE 4.29Å; V391-M395 WeakPolarHBondContact O-CB 3.49Å; V391-M395 VanDerWaalsContact O-CG 3.31Å; V391-M395 WeakPolarHBondContact O-CG 3.48Å; V391-M395 PolarHBondContact O-N 3.2Å; V393-M395 VanDerWaalsContact C-N 3.32Å; V393-M395 PolarHBondContact O-N 3.21Å; M395-R400 HydrophobicContact CG-CG 4.44Å; M395-R400 PolarHBondContact O-NH1 3.12Å; M395-R400 HydrophobicContact SD-CG 4.4Å; M395-S403 PolarHBondContact N-OG 3.42Å; M395-C446 VanDerWaalsContact CG-SG 3.57Å; M395-C446 HydrophobicContact SD-CB 4.13Å; M395-C446 PolarHBondContact SD-SG 3.31Å; M395-L449 HydrophobicContact CE-CD2 3.92Å; M395-L449 HydrophobicContact SD-CB 4.41Å; M395-L449 HydrophobicContact SD-CD2 3.63Å
396S84.1Confident89.1Confident72 Ų7249.7 Ų49.750%0.50328%0.283SS..Hα-helixtrans-75.4-37.6179.6-60.20000112.7T392 V393 C394T392-S396 PolarHBondContact O-N 3.18Å; T392-S396 PolarHBondContact O-OG 2.97Å; V393-S396 WeakPolarHBondContact O-CB 3.36Å; V393-S396 PolarHBondContact O-N 2.95Å; C394-S396 PolarHBondContact O-N 3.07Å
397F85.4Confident89.2Confident165 Ų16547 Ų4772%0.72427%0.266SS*.Hα-helixtrans-95.9-44.5-175.8-72.2-74000114.5V393 C394V393-F397 HydrophobicContact CG1-CD2 3.71Å; V393-F397 HydrophobicContact CG1-CE2 3.82Å; V393-F397 WeakPolarHBondContact O-CD2 3.19Å; V393-F397 PolarHBondContact O-N 2.98Å; V393-F397 VanDerWaalsContact O-N 3.14Å; C394-F397 PolarHBondContact O-N 3.48Å
398I86.7Confident89.3Confident106 Ų10646.3 Ų46.354%0.54426%0.26SS..THydrogen-bonded Turntrans-96-25-170.8-48.9177.3000110.8C394 P402C394-I398 HydrophobicContact CB-CD1 4.36Å; C394-I398 WeakPolarHBondContact O-CB 3.43Å; C394-I398 PolarHBondContact O-N 3.48Å; I398-P402 HydrophobicContact CB-CG 4.44Å; I398-P402 HydrophobicContact CG2-CB 4.02Å; I398-P402 HydrophobicContact CG2-CG 3.67Å; I398-P402 VanDerWaalsContact O-CG 3.26Å; I398-P402 WeakPolarHBondContact O-CG 3.06Å
399G85.5Confident89.7Confident0 Ų047.6 Ų47.60%027%0.268CS..  trans106.2169-175.400000113C394 S403C394-G399 PolarHBondContact O-N 3.49Å; G399-S403 VanDerWaalsContact O-CB 3.32Å; G399-S403 WeakPolarHBondContact O-CB 3.36Å; G399-S403 PolarHBondContact O-OG 3.46Å
400R87.5Confident89.9Confident40 Ų4047.3 Ų47.315%0.15127%0.267CS..Hα-helixtrans-79.9-42.4-172.4-75.468.5163.9150.5-1.3111.8M395 S403 Q404 Y450 E453 E512 T513M395-R400 HydrophobicContact CG-CG 4.44Å; M395-R400 PolarHBondContact O-NH1 3.12Å; M395-R400 HydrophobicContact SD-CG 4.4Å; R400-S403 PolarHBondContact O-N 3.04Å; R400-Q404 WeakPolarHBondContact O-CB 3.33Å; R400-Q404 PolarHBondContact O-N 3.01Å; R400-Y450 HydrophobicContact CB-CD2 3.8Å; R400-Y450 HydrophobicContact CB-CE2 4.06Å; R400-Y450 HydrophobicContact CB-CG 4.19Å; R400-Y450 HydrophobicContact CG-CD2 4.38Å; R400-E453 IonicContact CZ-OE1 3.87Å; R400-E453 IonicContact CZ-OE2 3.76Å; R400-E453 IonicContact NE-OE1 2.98Å; R400-E453 PolarHBondContact NE-OE1 2.62Å; R400-E453 IonicContact NE-OE2 3.53Å; R400-E453 PolarHBondContact NE-OE2 3.33Å; R400-E453 IonicContact NH2-OE1 2.76Å; R400-E453 PolarHBondContact NH2-OE1 2.94Å; R400-E453 IonicContact NH2-OE2 2.99Å; R400-E512 PolarHBondContact N-OE1 3.27Å; R400-E512 PolarHBondContact N-OE2 2.93Å; R400-T513 WeakPolarHBondContact CD-OG1 3.41Å; R400-T513 WeakPolarHBondContact CG-OG1 3.32Å
401R90.6Very high90.1Very high96 Ų9643 Ų4336%0.36224%0.241SC..Hα-helixtrans-61.2-54-179.5179.5-167.8178-154.8-0.3112.5S403 Q404 C405 V508 L510 E512R401-S403 VanDerWaalsContact C-N 3.32Å; R401-S403 PolarHBondContact O-N 3.39Å; R401-Q404 PolarHBondContact O-N 3.43Å; R401-C405 PolarHBondContact O-N 3.32Å; R401-C405 PolarHBondContact O-SG 3.25Å; R401-V508 PolarHBondContact NE-O 3.44Å; R401-V508 PolarHBondContact NH2-O 3.22Å; R401-L510 VanDerWaalsContact CD-O 3.27Å; R401-L510 WeakPolarHBondContact CD-O 3.02Å; R401-L510 PolarHBondContact NE-O 3.03Å; R401-E512 VanDerWaalsContact CB-OE2 3.23Å; R401-E512 WeakPolarHBondContact CB-OE2 3.42Å; R401-E512 PolarHBondContact N-OE2 3.42Å
402P90.4Very high90.4Very high54 Ų5442.7 Ų42.735%0.35124%0.239SC..Hα-helixtrans-66.8-34.5-179.425.9-33.6000112.1I398 G406 E512I398-P402 HydrophobicContact CB-CG 4.44Å; I398-P402 HydrophobicContact CG2-CB 4.02Å; I398-P402 HydrophobicContact CG2-CG 3.67Å; I398-P402 VanDerWaalsContact O-CG 3.26Å; I398-P402 WeakPolarHBondContact O-CG 3.06Å; P402-G406 PolarHBondContact O-N 3.23Å; P402-E512 WeakPolarHBondContact CD-OE2 3.38Å
403S91.9Very high90.8Very high13 Ų1342.9 Ų42.99%0.09124%0.239CC..Hα-helixtrans-62.6-43.3175.3-61.50000111.6C394 M395 G399 R400 R401 A407C394-S403 VanDerWaalsContact C-OG 3.31Å; C394-S403 PolarHBondContact O-OG 3.18Å; M395-S403 PolarHBondContact N-OG 3.42Å; G399-S403 VanDerWaalsContact O-CB 3.32Å; G399-S403 WeakPolarHBondContact O-CB 3.36Å; G399-S403 PolarHBondContact O-OG 3.46Å; R400-S403 PolarHBondContact O-N 3.04Å; R401-S403 VanDerWaalsContact C-N 3.32Å; R401-S403 PolarHBondContact O-N 3.39Å; S403-A407 VanDerWaalsContact O-CB 3.27Å; S403-A407 WeakPolarHBondContact O-CB 3.21Å; S403-A407 PolarHBondContact O-N 2.83Å
404Q92.6Very high91Very high1 Ų140.1 Ų40.11%0.00522%0.223CC..Hα-helixtrans-66.8-46.7177.5-176.557.921.800112.5T351 R400 R401 L408 S443 C447 A507T351-Q404 HydrophobicContact CG2-CG 4.1Å; R400-Q404 WeakPolarHBondContact O-CB 3.33Å; R400-Q404 PolarHBondContact O-N 3.01Å; R401-Q404 PolarHBondContact O-N 3.43Å; Q404-L408 PolarHBondContact O-N 2.95Å; Q404-L408 VanDerWaalsContact O-N 3.15Å; Q404-S443 PolarHBondContact NE2-OG 2.89Å; Q404-S443 PolarHBondContact OE1-O 3.27Å; Q404-C447 PolarHBondContact NE2-SG 3.34Å; Q404-A507 HydrophobicContact CG-CB 4.29Å
405C93Very high91.1Very high12 Ų1238.9 Ų38.98%0.08121%0.214CC..Hα-helixtrans-63.7-46.5178.6-61.30000111R401 A407 L408 I409R401-C405 PolarHBondContact O-N 3.32Å; R401-C405 PolarHBondContact O-SG 3.25Å; C405-A407 PolarHBondContact O-N 3.11Å; C405-L408 PolarHBondContact O-N 3.43Å; C405-I409 WeakPolarHBondContact O-CB 3.47Å; C405-I409 VanDerWaalsContact O-CG1 3.28Å; C405-I409 WeakPolarHBondContact O-CG1 3.24Å; C405-I409 PolarHBondContact O-N 3.21Å
406G93Very high91.4Very high33 Ų3341 Ų4134%0.3422%0.224SC..Hα-helixtrans-61.1-44.3179.100000112.3P402 T410P402-G406 PolarHBondContact O-N 3.23Å; G406-T410 WeakPolarHBondContact O-CB 3.48Å; G406-T410 PolarHBondContact O-N 3.49Å; G406-T410 PolarHBondContact O-OG1 3.41Å
407A94.1Very high91.8Very high13 Ų1341.1 Ų41.111%0.10722%0.219CC..Hα-helixtrans-61.5-46.6177.400000112.1S403 C405 A411 C439S403-A407 VanDerWaalsContact O-CB 3.27Å; S403-A407 WeakPolarHBondContact O-CB 3.21Å; S403-A407 PolarHBondContact O-N 2.83Å; C405-A407 PolarHBondContact O-N 3.11Å; A407-A411 VanDerWaalsContact O-CB 3.26Å; A407-A411 WeakPolarHBondContact O-CB 3.14Å; A407-A411 PolarHBondContact O-N 3.44Å; A407-C439 WeakPolarHBondContact O-CB 3.47Å
408L94.4Very high91.9Very high0 Ų034 Ų340%019%0.189CC..Hα-helixtrans-68.7-44.7-179-80.5176.5000113.6T351 Q404 C405 A411 G412 S443 P500T351-L408 HydrophobicContact CG2-CD1 3.66Å; Q404-L408 PolarHBondContact O-N 2.95Å; Q404-L408 VanDerWaalsContact O-N 3.15Å; C405-L408 PolarHBondContact O-N 3.43Å; L408-A411 PolarHBondContact O-N 2.67Å; L408-G412 PolarHBondContact O-N 2.9Å; L408-S443 WeakPolarHBondContact CD2-OG 3.46Å; L408-P500 HydrophobicContact CD2-CB 4.08Å; L408-P500 WeakPolarHBondContact O-CB 3.49Å
409I95.3Very high91.9Very high52 Ų5232 Ų3227%0.26718%0.178SC..Hα-helixtrans-65.8-44.8178.8-66.1169000109.8C405 A411 G412 V413C405-I409 WeakPolarHBondContact O-CB 3.47Å; C405-I409 VanDerWaalsContact O-CG1 3.28Å; C405-I409 WeakPolarHBondContact O-CG1 3.24Å; C405-I409 PolarHBondContact O-N 3.21Å; I409-A411 VanDerWaalsContact C-N 3.34Å; I409-A411 PolarHBondContact O-N 2.89Å; I409-G412 PolarHBondContact O-N 2.85Å; I409-V413 HydrophobicContact CG2-CG2 4.17Å; I409-V413 WeakPolarHBondContact O-CB 3.39Å; I409-V413 VanDerWaalsContact O-CG2 3.26Å; I409-V413 WeakPolarHBondContact O-CG2 3.36Å; I409-V413 PolarHBondContact O-N 3.12Å
410T94.6Very high91.9Very high67 Ų6739.1 Ų39.141%0.41122%0.215SC..Hα-helixtrans-62.8-41.7177.8-53.70000111.3G406 T414G406-T410 WeakPolarHBondContact O-CB 3.48Å; G406-T410 PolarHBondContact O-N 3.49Å; G406-T410 PolarHBondContact O-OG1 3.41Å; T410-T414 HydrophobicContact CG2-CG2 4.45Å; T410-T414 WeakPolarHBondContact O-CB 3.48Å; T410-T414 VanDerWaalsContact O-CG2 3.29Å; T410-T414 WeakPolarHBondContact O-CG2 3.44Å; T410-T414 PolarHBondContact O-N 2.79Å; T410-T414 PolarHBondContact O-OG1 3.31Å
411A94.9Very high91.8Very high0 Ų038 Ų380%021%0.213CC..Hα-helixtrans-59.7-48.7174.100000112.2A407 L408 I409 T414 I415 C439 L440A407-A411 VanDerWaalsContact O-CB 3.26Å; A407-A411 WeakPolarHBondContact O-CB 3.14Å; A407-A411 PolarHBondContact O-N 3.44Å; L408-A411 PolarHBondContact O-N 2.67Å; I409-A411 VanDerWaalsContact C-N 3.34Å; I409-A411 PolarHBondContact O-N 2.89Å; A411-T414 PolarHBondContact O-OG1 3.31Å; A411-I415 WeakPolarHBondContact O-CD1 3.36Å; A411-I415 VanDerWaalsContact O-CG1 3.23Å; A411-I415 WeakPolarHBondContact O-CG1 3.15Å; A411-I415 PolarHBondContact O-N 2.97Å; A411-I415 VanDerWaalsContact O-N 3.09Å; A411-C439 HydrophobicContact CB-CB 3.71Å; A411-L440 HydrophobicContact CB-CD2 3.87Å; A411-L440 HydrophobicContact CB-CG 3.76Å
412G93.9Very high91.2Very high0 Ų036.8 Ų36.80%022%0.217CC..Hα-helixtrans-66.4-43.2-178.600000112.9L408 I409 T414 I415 L416 G497L408-G412 PolarHBondContact O-N 2.9Å; I409-G412 PolarHBondContact O-N 2.85Å; G412-T414 PolarHBondContact O-N 3.08Å; G412-I415 PolarHBondContact O-N 2.96Å; G412-L416 WeakPolarHBondContact O-CG 3.48Å; G412-L416 PolarHBondContact O-N 2.66Å; G412-G497 WeakPolarHBondContact CA-O 3.47Å
413V95.3Very high90.3Very high62 Ų6241.6 Ų41.638%0.37623%0.23SC..Hα-helixtrans-62.3-44.7177.5170.80000111.1I409 I415 L416 I417 I501I409-V413 HydrophobicContact CG2-CG2 4.17Å; I409-V413 WeakPolarHBondContact O-CB 3.39Å; I409-V413 VanDerWaalsContact O-CG2 3.26Å; I409-V413 WeakPolarHBondContact O-CG2 3.36Å; I409-V413 PolarHBondContact O-N 3.12Å; V413-I415 VanDerWaalsContact C-N 3.33Å; V413-I415 PolarHBondContact O-N 3.33Å; V413-L416 PolarHBondContact O-N 2.98Å; V413-I417 HydrophobicContact CG1-CD1 3.65Å; V413-I417 HydrophobicContact CG1-CG1 4.28Å; V413-I417 VanDerWaalsContact O-CG1 3.25Å; V413-I417 WeakPolarHBondContact O-CG1 3.42Å; V413-I417 PolarHBondContact O-N 3.27Å; V413-I501 HydrophobicContact CG2-CD1 4.17Å
414T93.7Very high89.6Confident15 Ų1548.2 Ų48.29%0.09226%0.264CS..Hα-helixtrans-64.1-37.2178.149.70000112.5T410 A411 G412 N418 L432 V435 G436T410-T414 HydrophobicContact CG2-CG2 4.45Å; T410-T414 WeakPolarHBondContact O-CB 3.48Å; T410-T414 VanDerWaalsContact O-CG2 3.29Å; T410-T414 WeakPolarHBondContact O-CG2 3.44Å; T410-T414 PolarHBondContact O-N 2.79Å; T410-T414 PolarHBondContact O-OG1 3.31Å; A411-T414 PolarHBondContact O-OG1 3.31Å; G412-T414 PolarHBondContact O-N 3.08Å; T414-N418 PolarHBondContact O-N 2.85Å; T414-L432 HydrophobicContact CG2-CD2 4.46Å; T414-V435 HydrophobicContact CG2-CG1 3.95Å; T414-G436 VanDerWaalsContact OG1-CA 3.29Å; T414-G436 WeakPolarHBondContact OG1-CA 3.5Å
415I91.2Very high89.1Confident12 Ų1254.4 Ų54.46%0.06229%0.291CS..Hα-helixtrans-67.1-41.9173.6-66.8166.3000111.3A411 G412 V413 N418 L440A411-I415 WeakPolarHBondContact O-CD1 3.36Å; A411-I415 VanDerWaalsContact O-CG1 3.23Å; A411-I415 WeakPolarHBondContact O-CG1 3.15Å; A411-I415 PolarHBondContact O-N 2.97Å; A411-I415 VanDerWaalsContact O-N 3.09Å; G412-I415 PolarHBondContact O-N 2.96Å; V413-I415 VanDerWaalsContact C-N 3.33Å; V413-I415 PolarHBondContact O-N 3.33Å; I415-N418 WeakPolarHBondContact O-CB 3.23Å; I415-N418 PolarHBondContact O-N 3.32Å; I415-L440 HydrophobicContact CD1-CD1 4.07Å
416L92.2Very high88.5Confident47 Ų4758.6 Ų58.625%0.24631%0.309CS..Hα-helixtrans-66.3-41.9177.2-70.6-178000112.4G412 V413 N418 I419 L494 I501G412-L416 WeakPolarHBondContact O-CG 3.48Å; G412-L416 PolarHBondContact O-N 2.66Å; V413-L416 PolarHBondContact O-N 2.98Å; L416-N418 PolarHBondContact O-N 2.94Å; L416-I419 HydrophobicContact CD2-CD1 3.87Å; L416-I419 WeakPolarHBondContact O-CB 3.26Å; L416-I419 PolarHBondContact O-N 3.49Å; L416-I419 VanDerWaalsContact O-N 3.13Å; L416-L494 HydrophobicContact CD2-CD1 3.74Å; L416-I501 HydrophobicContact CD1-CD1 3.49Å; L416-I501 VanDerWaalsContact CD1-CD1 3.49Å; L416-I501 HydrophobicContact CG-CD1 4.39Å
417I91.7Very high88.2Confident76 Ų7662.4 Ų62.439%0.3933%0.326SS..Hα-helixtrans-60.7-37.3174.4-66.5167.4000110V413 I419 L420 V421 L432V413-I417 HydrophobicContact CG1-CD1 3.65Å; V413-I417 HydrophobicContact CG1-CG1 4.28Å; V413-I417 VanDerWaalsContact O-CG1 3.25Å; V413-I417 WeakPolarHBondContact O-CG1 3.42Å; V413-I417 PolarHBondContact O-N 3.27Å; I417-I419 PolarHBondContact O-N 3.46Å; I417-I419 VanDerWaalsContact O-N 3.17Å; I417-L420 PolarHBondContact O-N 2.84Å; I417-V421 PolarHBondContact O-N 3.39Å; I417-L432 HydrophobicContact CG2-CD1 3.8Å; I417-L432 HydrophobicContact CG2-CD2 4.36Å
418N88.1Confident87.9Confident16 Ų1665.7 Ų65.79%0.08634%0.342CS..Hα-helixtrans-54.9-33.7176.7-156.7-87.2000113.1T414 I415 L416 L420 V421 R429 L432T414-N418 PolarHBondContact O-N 2.85Å; I415-N418 WeakPolarHBondContact O-CB 3.23Å; I415-N418 PolarHBondContact O-N 3.32Å; L416-N418 PolarHBondContact O-N 2.94Å; N418-L420 VanDerWaalsContact C-N 3.32Å; N418-L420 PolarHBondContact O-N 3.45Å; N418-V421 PolarHBondContact O-N 2.71Å; N418-R429 PolarHBondContact ND2-O 3.34Å; N418-R429 WeakPolarHBondContact OD1-CG 3.22Å; N418-R429 PolarHBondContact OD1-NE 3.47Å; N418-L432 WeakPolarHBondContact ND2-CB 3.48Å
419I86Confident87.5Confident64 Ų6467.1 Ų67.133%0.32835%0.347SS..Hα-helixtrans-67-35.4179.4-55.9168.3000111.3L416 I417 V421 W490 L494L416-I419 HydrophobicContact CD2-CD1 3.87Å; L416-I419 WeakPolarHBondContact O-CB 3.26Å; L416-I419 PolarHBondContact O-N 3.49Å; L416-I419 VanDerWaalsContact O-N 3.13Å; I417-I419 PolarHBondContact O-N 3.46Å; I417-I419 VanDerWaalsContact O-N 3.17Å; I419-V421 VanDerWaalsContact C-N 3.28Å; I419-V421 PolarHBondContact O-N 2.9Å; I419-W490 HydrophobicContact CG2-CB 4.15Å; I419-L494 HydrophobicContact CD1-CB 4.42Å; I419-L494 VanDerWaalsContact CD1-N 3.34Å
420L85.7Confident87.2Confident148 Ų14865.3 Ų65.378%0.77534%0.338SS*.Hα-helixtrans-79.1-13.4-177.8-57.9177.5000112.6I417 N418I417-L420 PolarHBondContact O-N 2.84Å; N418-L420 VanDerWaalsContact C-N 3.32Å; N418-L420 PolarHBondContact O-N 3.45Å
421V84.7Confident86.9Confident17 Ų1765.4 Ų65.410%0.10334%0.341CS..SBendtrans-82.2123.3-177.5176.50000110.2I417 N418 I419 K425 L428 L432I417-V421 PolarHBondContact O-N 3.39Å; N418-V421 PolarHBondContact O-N 2.71Å; I419-V421 VanDerWaalsContact C-N 3.28Å; I419-V421 PolarHBondContact O-N 2.9Å; V421-K425 HydrophobicContact CG1-CB 4Å; V421-L428 HydrophobicContact CG1-CB 4.43Å; V421-L428 HydrophobicContact CG1-CD2 4.01Å; V421-L428 HydrophobicContact CG1-CG 4.3Å; V421-L428 HydrophobicContact CG2-CD2 3.96Å; V421-L428 HydrophobicContact CG2-CG 4.33Å; V421-L432 HydrophobicContact CG2-CD1 3.88Å
422P79Confident86.7Confident70 Ų7066.7 Ų66.746%0.45535%0.347SS..  trans-65.3152.3178.125.7-33.3000112.2D424 K425P422-D424 PolarHBondContact O-N 3.05Å; P422-D424 VanDerWaalsContact O-N 3.1Å; P422-K425 PolarHBondContact O-N 3.44Å; P422-K425 VanDerWaalsContact O-N 3.12Å
423Y72Confident86.6Confident156 Ų15666.7 Ų66.761%0.61235%0.348SS*.THydrogen-bonded Turntrans-59.7-22.9-175.4-70.2-86.7000114.2K425 Q426Y423-K425 VanDerWaalsContact C-N 3.26Å; Y423-K425 PolarHBondContact O-N 3.14Å; Y423-Q426 WeakPolarHBondContact O-CG 3.22Å
424D75.5Confident86.4Confident152 Ų15264.9 Ų64.981%0.81334%0.337SS*.THydrogen-bonded Turntrans-69.3-22.9179.6-54.6-41.1000112.9P422 Q426P422-D424 PolarHBondContact O-N 3.05Å; P422-D424 VanDerWaalsContact O-N 3.1Å; D424-Q426 PolarHBondContact O-N 3.46Å
425K82.8Confident86.4Confident130 Ų13067.6 Ų67.657%0.56535%0.353SS*.  trans-97.658.4179.8-64.1-168.1179.1-176.30112.1V421 P422 Y423 T427 L428 R429V421-K425 HydrophobicContact CG1-CB 4Å; P422-K425 PolarHBondContact O-N 3.44Å; P422-K425 VanDerWaalsContact O-N 3.12Å; Y423-K425 VanDerWaalsContact C-N 3.26Å; Y423-K425 PolarHBondContact O-N 3.14Å; K425-T427 VanDerWaalsContact C-N 3.33Å; K425-T427 PolarHBondContact O-N 3.19Å; K425-L428 HydrophobicContact CB-CB 4.28Å; K425-L428 PolarHBondContact O-N 3.43Å; K425-R429 PolarHBondContact O-N 3.46Å; K425-R429 VanDerWaalsContact O-N 3.15Å
426Q80.9Confident86.5Confident101 Ų10167 Ų6747%0.47235%0.35SS..Hα-helixtrans-55.5-41.4-175.7-64.6-178.9-8.300113.7Y423 D424 L428 R429 T430Y423-Q426 WeakPolarHBondContact O-CG 3.22Å; D424-Q426 PolarHBondContact O-N 3.46Å; Q426-L428 PolarHBondContact O-N 2.7Å; Q426-R429 PolarHBondContact O-N 2.9Å; Q426-T430 PolarHBondContact O-N 3.06Å; Q426-T430 PolarHBondContact O-OG1 2.95Å
427T86Confident86.5Confident112 Ų11264.8 Ų64.869%0.68734%0.338SS*.Hα-helixtrans-60.5-45.9179.1-47.60000111.8K425 R429 T430 C431K425-T427 VanDerWaalsContact C-N 3.33Å; K425-T427 PolarHBondContact O-N 3.19Å; T427-R429 VanDerWaalsContact C-N 3.34Å; T427-R429 PolarHBondContact O-N 3.37Å; T427-T430 PolarHBondContact O-N 2.88Å; T427-C431 WeakPolarHBondContact O-CB 3.49Å; T427-C431 PolarHBondContact O-N 3.25Å; T427-C431 PolarHBondContact O-SG 3.03Å
428L88.1Confident86.5Confident83 Ų8361.3 Ų61.344%0.43532%0.322SS..Hα-helixtrans-64-42179.1-179.461.7000111.1V421 K425 Q426 T430 C431 L432V421-L428 HydrophobicContact CG1-CB 4.43Å; V421-L428 HydrophobicContact CG1-CD2 4.01Å; V421-L428 HydrophobicContact CG1-CG 4.3Å; V421-L428 HydrophobicContact CG2-CD2 3.96Å; V421-L428 HydrophobicContact CG2-CG 4.33Å; K425-L428 HydrophobicContact CB-CB 4.28Å; K425-L428 PolarHBondContact O-N 3.43Å; Q426-L428 PolarHBondContact O-N 2.7Å; L428-T430 PolarHBondContact O-N 3.45Å; L428-C431 PolarHBondContact O-N 2.59Å; L428-L432 HydrophobicContact CD1-CD1 4.32Å; L428-L432 HydrophobicContact CD1-CG 4.4Å; L428-L432 HydrophobicContact CG-CD1 4.15Å; L428-L432 WeakPolarHBondContact O-CB 3.39Å; L428-L432 WeakPolarHBondContact O-CG 3.41Å; L428-L432 PolarHBondContact O-N 3.38Å
429R86.1Confident86.8Confident30 Ų3061.7 Ų61.711%0.11333%0.325CS..Hα-helixtrans-61.4-44.5177.4-166.3-177.7178150.8-5.7111.7F369 N418 K425 Q426 T427 A433F369-R429 HydrophobicContact CD1-CG 4.25Å; F369-R429 HydrophobicContact CE1-CG 4.48Å; N418-R429 PolarHBondContact ND2-O 3.34Å; N418-R429 WeakPolarHBondContact OD1-CG 3.22Å; N418-R429 PolarHBondContact OD1-NE 3.47Å; K425-R429 PolarHBondContact O-N 3.46Å; K425-R429 VanDerWaalsContact O-N 3.15Å; Q426-R429 PolarHBondContact O-N 2.9Å; T427-R429 VanDerWaalsContact C-N 3.34Å; T427-R429 PolarHBondContact O-N 3.37Å; R429-A433 WeakPolarHBondContact O-CB 3.33Å; R429-A433 PolarHBondContact O-N 3.27Å
430T88Confident87.2Confident13 Ų1358.7 Ų58.78%0.0831%0.31CS..Hα-helixtrans-65.9-45.8177.2-61.90000111.2F369 V371 I376 Q426 T427 L428 L432 A433 V434F369-T430 PolarHBondContact O-OG1 3.39Å; V371-T430 HydrophobicContact CG2-CG2 4.4Å; I376-T430 HydrophobicContact CD1-CG2 3.68Å; Q426-T430 PolarHBondContact O-N 3.06Å; Q426-T430 PolarHBondContact O-OG1 2.95Å; T427-T430 PolarHBondContact O-N 2.88Å; L428-T430 PolarHBondContact O-N 3.45Å; T430-L432 PolarHBondContact O-N 2.82Å; T430-A433 PolarHBondContact O-N 3.47Å; T430-V434 HydrophobicContact CG2-CG2 4.19Å; T430-V434 WeakPolarHBondContact O-CB 3.42Å; T430-V434 WeakPolarHBondContact O-CG2 3.42Å; T430-V434 PolarHBondContact O-N 3.35Å
431C90.1Very high87.4Confident70 Ų7051.8 Ų51.847%0.47327%0.274SS..Hα-helixtrans-57-46.7176.8-70.90000112.3T427 L428 A433 V434 V435T427-C431 WeakPolarHBondContact O-CB 3.49Å; T427-C431 PolarHBondContact O-N 3.25Å; T427-C431 PolarHBondContact O-SG 3.03Å; L428-C431 PolarHBondContact O-N 2.59Å; C431-A433 PolarHBondContact O-N 3.42Å; C431-V434 PolarHBondContact O-N 3.08Å; C431-V435 WeakPolarHBondContact O-CG2 3.17Å; C431-V435 PolarHBondContact O-N 3.01Å
432L90.8Very high87.7Confident26 Ų2651.4 Ų51.414%0.13627%0.273CS..Hα-helixtrans-62.7-41.7177.4-73.6169.9000112.3T414 I417 N418 V421 L428 T430 V435 G436T414-L432 HydrophobicContact CG2-CD2 4.46Å; I417-L432 HydrophobicContact CG2-CD1 3.8Å; I417-L432 HydrophobicContact CG2-CD2 4.36Å; N418-L432 WeakPolarHBondContact ND2-CB 3.48Å; V421-L432 HydrophobicContact CG2-CD1 3.88Å; L428-L432 HydrophobicContact CD1-CD1 4.32Å; L428-L432 HydrophobicContact CD1-CG 4.4Å; L428-L432 HydrophobicContact CG-CD1 4.15Å; L428-L432 WeakPolarHBondContact O-CB 3.39Å; L428-L432 WeakPolarHBondContact O-CG 3.41Å; L428-L432 PolarHBondContact O-N 3.38Å; T430-L432 PolarHBondContact O-N 2.82Å; L432-V435 PolarHBondContact O-N 2.98Å; L432-G436 PolarHBondContact O-N 3.46Å
433A89.8Confident88.3Confident1 Ų148 Ų481%0.00825%0.251CS..Hα-helixtrans-64.9-40.2176.900000111.9L362 F369 F380 R429 T430 C431 G436 K437L362-A433 HydrophobicContact CD1-CB 4.42Å; L362-A433 WeakPolarHBondContact CD2-O 3.43Å; F369-A433 HydrophobicContact CD1-CB 3.94Å; F369-A433 HydrophobicContact CE1-CB 3.35Å; F369-A433 HydrophobicContact CZ-CB 3.77Å; F380-A433 HydrophobicContact CZ-CB 4.37Å; R429-A433 WeakPolarHBondContact O-CB 3.33Å; R429-A433 PolarHBondContact O-N 3.27Å; T430-A433 PolarHBondContact O-N 3.47Å; C431-A433 PolarHBondContact O-N 3.42Å; A433-G436 PolarHBondContact O-N 3.23Å; A433-K437 VanDerWaalsContact O-CB 3.22Å; A433-K437 WeakPolarHBondContact O-CB 3.48Å; A433-K437 PolarHBondContact O-N 3.45Å
434V92.1Very high89.2Confident23 Ų2342.1 Ų42.114%0.13923%0.229CC..Hα-helixtrans-64.8-43.2177.51720000111.2I379 F380 V383 T430 C431 K437 G438I379-V434 HydrophobicContact CG2-CB 4.4Å; I379-V434 HydrophobicContact CG2-CG1 4Å; I379-V434 HydrophobicContact CG2-CG2 3.44Å; I379-V434 VanDerWaalsContact CG2-CG2 3.44Å; F380-V434 HydrophobicContact CD1-CG2 4.07Å; F380-V434 HydrophobicContact CE1-CG2 3.86Å; V383-V434 HydrophobicContact CB-CG1 3.84Å; V383-V434 HydrophobicContact CG1-CG1 4.15Å; V383-V434 HydrophobicContact CG2-CG1 3.7Å; T430-V434 HydrophobicContact CG2-CG2 4.19Å; T430-V434 WeakPolarHBondContact O-CB 3.42Å; T430-V434 WeakPolarHBondContact O-CG2 3.42Å; T430-V434 PolarHBondContact O-N 3.35Å; C431-V434 PolarHBondContact O-N 3.08Å; V434-K437 PolarHBondContact O-N 2.97Å; V434-G438 PolarHBondContact O-N 3.21Å
435V93.8Very high89.7Confident72 Ų7236.9 Ų36.944%0.43620%0.201SC..Hα-helixtrans-62.8-48.4174.7175.10000110.6T414 C431 L432 K437 G438 C439T414-V435 HydrophobicContact CG2-CG1 3.95Å; C431-V435 WeakPolarHBondContact O-CG2 3.17Å; C431-V435 PolarHBondContact O-N 3.01Å; L432-V435 PolarHBondContact O-N 2.98Å; V435-K437 VanDerWaalsContact C-N 3.32Å; V435-K437 PolarHBondContact O-N 3.44Å; V435-G438 PolarHBondContact O-N 3.24Å; V435-C439 WeakPolarHBondContact O-CB 3.36Å; V435-C439 PolarHBondContact O-N 2.76Å; V435-C439 PolarHBondContact O-SG 3.25Å; V435-C439 VanDerWaalsContact O-SG 3.33Å
436G92.8Very high89.9Confident0 Ų030.8 Ų30.80%017%0.174CC..Hα-helixtrans-58.8-43177.300000112.5T414 L432 A433 C439 L440T414-G436 VanDerWaalsContact OG1-CA 3.29Å; T414-G436 WeakPolarHBondContact OG1-CA 3.5Å; L432-G436 PolarHBondContact O-N 3.46Å; A433-G436 PolarHBondContact O-N 3.23Å; G436-C439 PolarHBondContact O-N 3.24Å; G436-L440 VanDerWaalsContact O-CG 3.3Å; G436-L440 WeakPolarHBondContact O-CG 3.35Å; G436-L440 PolarHBondContact O-N 3.02Å
437K91.6Very high90.3Very high0 Ų026 Ų260%015%0.152CC..Hα-helixtrans-60.7-49176-17569.6-165.7169.50111.9Y359 L362 S363 F380 V383 A433 V434 V435 C439 L440 A441Y359-K437 VanDerWaalsContact CD1-NZ 3.26Å; Y359-K437 HydrophobicContact CD2-CD 4.43Å; Y359-K437 HydrophobicContact CE2-CD 4.43Å; Y359-K437 PolarHBondContact O-NZ 3.23Å; L362-K437 HydrophobicContact CD2-CB 3.77Å; L362-K437 HydrophobicContact CD2-CD 4.15Å; S363-K437 WeakPolarHBondContact OG-CE 3.38Å; S363-K437 PolarHBondContact OG-NZ 3.01Å; F380-K437 HydrophobicContact CB-CG 4.34Å; F380-K437 HydrophobicContact CD1-CB 4.39Å; F380-K437 HydrophobicContact CD1-CG 4.2Å; F380-K437 HydrophobicContact CD2-CD 4.13Å; F380-K437 HydrophobicContact CD2-CG 4.14Å; F380-K437 HydrophobicContact CE1-CB 4.37Å; F380-K437 HydrophobicContact CE2-CD 4.36Å; F380-K437 HydrophobicContact CE2-CG 4.5Å; F380-K437 HydrophobicContact CG-CD 4.46Å; F380-K437 HydrophobicContact CG-CG 3.98Å; V383-K437 HydrophobicContact CG1-CG 4.42Å; A433-K437 VanDerWaalsContact O-CB 3.22Å; A433-K437 WeakPolarHBondContact O-CB 3.48Å; A433-K437 PolarHBondContact O-N 3.45Å; V434-K437 PolarHBondContact O-N 2.97Å; V435-K437 VanDerWaalsContact C-N 3.32Å; V435-K437 PolarHBondContact O-N 3.44Å; K437-C439 PolarHBondContact O-N 3.38Å; K437-L440 PolarHBondContact O-N 3.1Å; K437-A441 PolarHBondContact O-N 3.3Å
438G92.8Very high90.2Very high4 Ų426.1 Ų26.14%0.04114%0.14CC..Hα-helixtrans-59.9-44177.100000112.1A387 V434 V435 L440 A441 A442A387-G438 VanDerWaalsContact CB-O 3.3Å; A387-G438 WeakPolarHBondContact CB-O 3.2Å; V434-G438 PolarHBondContact O-N 3.21Å; V435-G438 PolarHBondContact O-N 3.24Å; G438-L440 VanDerWaalsContact C-N 3.33Å; G438-L440 PolarHBondContact O-N 3.49Å; G438-A441 WeakPolarHBondContact O-CB 3.42Å; G438-A441 PolarHBondContact O-N 2.8Å; G438-A442 WeakPolarHBondContact O-CB 3.45Å; G438-A442 PolarHBondContact O-N 3.39Å
439C94.1Very high90Very high24 Ų2425.1 Ų25.116%0.16214%0.135CC..Hα-helixtrans-62.1-37.1175.4-70.30000112.8A407 A411 V435 G436 K437 A442 S443A407-C439 WeakPolarHBondContact O-CB 3.47Å; A411-C439 HydrophobicContact CB-CB 3.71Å; V435-C439 WeakPolarHBondContact O-CB 3.36Å; V435-C439 PolarHBondContact O-N 2.76Å; V435-C439 PolarHBondContact O-SG 3.25Å; V435-C439 VanDerWaalsContact O-SG 3.33Å; G436-C439 PolarHBondContact O-N 3.24Å; K437-C439 PolarHBondContact O-N 3.38Å; C439-A442 WeakPolarHBondContact O-CB 3.09Å; C439-A442 PolarHBondContact O-N 2.9Å; C439-S443 WeakPolarHBondContact O-CB 3.35Å; C439-S443 PolarHBondContact O-N 2.94Å
440L93.6Very high89.9Confident0 Ų023.8 Ų23.80%013%0.13CC..Hα-helixtrans-68.7-38.5174.2-69.4164.6000112.3A358 Y359 A411 I415 G436 K437 G438 A442 S443 F444 P500A358-L440 HydrophobicContact CB-CD1 3.83Å; A358-L440 HydrophobicContact CB-CD2 3.76Å; A358-L440 HydrophobicContact CB-CG 4.47Å; Y359-L440 HydrophobicContact CD2-CB 4.13Å; A411-L440 HydrophobicContact CB-CD2 3.87Å; A411-L440 HydrophobicContact CB-CG 3.76Å; I415-L440 HydrophobicContact CD1-CD1 4.07Å; G436-L440 VanDerWaalsContact O-CG 3.3Å; G436-L440 WeakPolarHBondContact O-CG 3.35Å; G436-L440 PolarHBondContact O-N 3.02Å; K437-L440 PolarHBondContact O-N 3.1Å; G438-L440 VanDerWaalsContact C-N 3.33Å; G438-L440 PolarHBondContact O-N 3.49Å; L440-A442 VanDerWaalsContact C-N 3.35Å; L440-S443 WeakPolarHBondContact O-CB 3.21Å; L440-S443 PolarHBondContact O-N 3.32Å; L440-F444 PolarHBondContact O-N 3.47Å; L440-P500 HydrophobicContact CD2-CG 4.4Å
441A90.6Very high89.8Confident3 Ų323.2 Ų23.23%0.02513%0.127CC..Hα-helixtrans-64.4-40.3173.700000111.9Y359 D384 K437 G438 F444 N445Y359-A441 HydrophobicContact CE2-CB 4.16Å; D384-A441 WeakPolarHBondContact OD1-CB 3.45Å; K437-A441 PolarHBondContact O-N 3.3Å; G438-A441 WeakPolarHBondContact O-CB 3.42Å; G438-A441 PolarHBondContact O-N 2.8Å; A441-F444 WeakPolarHBondContact O-CB 3.48Å; A441-F444 PolarHBondContact O-N 3.14Å; A441-N445 PolarHBondContact O-N 3.19Å
442A91Very high89.3Confident9 Ų920.7 Ų20.77%0.07411%0.113CC..Hα-helixtrans-60.6-47.317200000111.7A387 V391 G438 C439 L440 F444 N445 C446A387-A442 HydrophobicContact CB-CB 4.42Å; V391-A442 HydrophobicContact CB-CB 3.68Å; V391-A442 HydrophobicContact CG1-CB 4.03Å; V391-A442 HydrophobicContact CG2-CB 3.85Å; G438-A442 WeakPolarHBondContact O-CB 3.45Å; G438-A442 PolarHBondContact O-N 3.39Å; C439-A442 WeakPolarHBondContact O-CB 3.09Å; C439-A442 PolarHBondContact O-N 2.9Å; L440-A442 VanDerWaalsContact C-N 3.35Å; A442-F444 VanDerWaalsContact C-N 3.29Å; A442-F444 PolarHBondContact O-N 2.93Å; A442-N445 PolarHBondContact O-N 2.89Å; A442-N445 VanDerWaalsContact O-N 3.15Å; A442-C446 PolarHBondContact O-N 3.35Å
443S92.8Very high88.9Confident0 Ų020.9 Ų20.90%011%0.113CC..Hα-helixtrans-57.2-39.7174.7177.10000112.2T355 Q404 L408 C439 L440 N445 C446 C447T355-S443 WeakPolarHBondContact CG2-OG 3.39Å; T355-S443 PolarHBondContact OG1-OG 2.89Å; Q404-S443 PolarHBondContact NE2-OG 2.89Å; Q404-S443 PolarHBondContact OE1-O 3.27Å; L408-S443 WeakPolarHBondContact CD2-OG 3.46Å; C439-S443 WeakPolarHBondContact O-CB 3.35Å; C439-S443 PolarHBondContact O-N 2.94Å; L440-S443 WeakPolarHBondContact O-CB 3.21Å; L440-S443 PolarHBondContact O-N 3.32Å; S443-N445 PolarHBondContact O-N 3Å; S443-C446 PolarHBondContact O-N 3.46Å; S443-C447 VanDerWaalsContact O-CB 3.3Å; S443-C447 WeakPolarHBondContact O-CB 3.34Å; S443-C447 PolarHBondContact O-N 2.94Å; S443-C447 PolarHBondContact O-SG 2.59Å
444F89.2Confident88.6Confident32 Ų3220.9 Ų20.914%0.1411%0.113CC..Hα-helixtrans-59.6-46.8175.5-102.3-61.4000112.1T355 S356 Y359 L440 A441 A442 C447 Y448T355-F444 HydrophobicContact CG2-CB 4.34Å; T355-F444 HydrophobicContact CG2-CD1 4.2Å; T355-F444 HydrophobicContact CG2-CD2 3.6Å; T355-F444 HydrophobicContact CG2-CE1 4.47Å; T355-F444 HydrophobicContact CG2-CE2 3.93Å; T355-F444 HydrophobicContact CG2-CG 3.77Å; T355-F444 HydrophobicContact CG2-CZ 4.36Å; S356-F444 VanDerWaalsContact CA-CZ 3.43Å; Y359-F444 AromaticContact CD1-CE2 3.9Å; Y359-F444 HydrophobicContact CD1-CE2 3.9Å; Y359-F444 AromaticContact CD2-CD2 3.87Å; Y359-F444 HydrophobicContact CD2-CD2 3.87Å; Y359-F444 AromaticContact CD2-CE2 3.95Å; Y359-F444 HydrophobicContact CD2-CE2 3.95Å; Y359-F444 HydrophobicContact CE2-CD2 4.41Å; Y359-F444 AromaticContact CG-CD2 3.96Å; Y359-F444 HydrophobicContact CG-CD2 3.96Å; Y359-F444 AromaticContact CG-CE2 3.53Å; Y359-F444 HydrophobicContact CG-CE2 3.53Å; L440-F444 PolarHBondContact O-N 3.47Å; A441-F444 WeakPolarHBondContact O-CB 3.48Å; A441-F444 PolarHBondContact O-N 3.14Å; A442-F444 VanDerWaalsContact C-N 3.29Å; A442-F444 PolarHBondContact O-N 2.93Å; F444-C447 WeakPolarHBondContact O-CB 3.49Å; F444-C447 PolarHBondContact O-N 2.67Å; F444-Y448 HydrophobicContact CD1-CE2 4.27Å; F444-Y448 VanDerWaalsContact O-CD2 3.25Å; F444-Y448 WeakPolarHBondContact O-CD2 3.34Å; F444-Y448 PolarHBondContact O-N 3.26Å; F444-Y448 VanDerWaalsContact O-N 3.11Å
445N86.8Confident88.2Confident42 Ų4219.8 Ų19.823%0.22511%0.106CC..Hα-helixtrans-63.4-46.5179.9-163-46.5000111.5V391 A441 A442 S443 C447 Y448 L449V391-N445 HydrophobicContact CG1-CB 4.15Å; A441-N445 PolarHBondContact O-N 3.19Å; A442-N445 PolarHBondContact O-N 2.89Å; A442-N445 VanDerWaalsContact O-N 3.15Å; S443-N445 PolarHBondContact O-N 3Å; N445-C447 PolarHBondContact O-N 3.38Å; N445-Y448 PolarHBondContact O-N 3.21Å; N445-L449 PolarHBondContact O-N 2.91Å; N445-L449 VanDerWaalsContact O-N 3.16Å
446C87.4Confident87.4Confident1 Ų116.4 Ų16.41%0.0079%0.086CC..Hα-helixtrans-56.2-47.4172.1-84.80000112.3V391 M395 A442 S443 Y448 L449 Y450V391-C446 WeakPolarHBondContact CG2-SG 3.42Å; M395-C446 VanDerWaalsContact CG-SG 3.57Å; M395-C446 HydrophobicContact SD-CB 4.13Å; M395-C446 PolarHBondContact SD-SG 3.31Å; A442-C446 PolarHBondContact O-N 3.35Å; S443-C446 PolarHBondContact O-N 3.46Å; C446-Y448 VanDerWaalsContact C-N 3.32Å; C446-Y448 PolarHBondContact O-N 3.47Å; C446-L449 PolarHBondContact O-N 3.2Å; C446-Y450 WeakPolarHBondContact O-CB 3.32Å; C446-Y450 PolarHBondContact O-N 3.14Å
447C88.7Confident86.5Confident1 Ų119.5 Ų19.51%0.00711%0.105CC..Hα-helixtrans-54.9-45.4178.4-83.60000112.2T351 W352 Q404 S443 F444 N445 S451T351-C447 VanDerWaalsContact CG2-SG 3.57Å; W352-C447 HydrophobicContact CD2-CB 4.12Å; W352-C447 HydrophobicContact CG-CB 4.46Å; W352-C447 HydrophobicContact CZ2-CB 3.96Å; W352-C447 WeakPolarHBondContact CZ2-O 3.48Å; Q404-C447 PolarHBondContact NE2-SG 3.34Å; S443-C447 VanDerWaalsContact O-CB 3.3Å; S443-C447 WeakPolarHBondContact O-CB 3.34Å; S443-C447 PolarHBondContact O-N 2.94Å; S443-C447 PolarHBondContact O-SG 2.59Å; F444-C447 WeakPolarHBondContact O-CB 3.49Å; F444-C447 PolarHBondContact O-N 2.67Å; N445-C447 PolarHBondContact O-N 3.38Å; C447-S451 WeakPolarHBondContact O-CB 3.37Å; C447-S451 PolarHBondContact O-N 3.36Å; C447-S451 PolarHBondContact O-OG 3.4Å
448Y84.7Confident85.4Confident114 Ų11422.2 Ų22.245%0.44712%0.119SC..Hα-helixtrans-61.9-48.3177.9-87.7-79.9000111.9W352 F444 N445 C446 G452 M464W352-Y448 AromaticContact CH2-CD1 3.55Å; W352-Y448 HydrophobicContact CH2-CD1 3.55Å; W352-Y448 AromaticContact CH2-CD2 3.74Å; W352-Y448 HydrophobicContact CH2-CD2 3.74Å; W352-Y448 AromaticContact CH2-CE1 3.49Å; W352-Y448 HydrophobicContact CH2-CE1 3.49Å; W352-Y448 VanDerWaalsContact CH2-CE1 3.49Å; W352-Y448 AromaticContact CH2-CE2 3.66Å; W352-Y448 HydrophobicContact CH2-CE2 3.66Å; W352-Y448 AromaticContact CH2-CG 3.66Å; W352-Y448 HydrophobicContact CH2-CG 3.66Å; W352-Y448 AromaticContact CH2-CZ 3.52Å; W352-Y448 HydrophobicContact CZ2-CD1 4.3Å; W352-Y448 HydrophobicContact CZ2-CG 4.25Å; W352-Y448 HydrophobicContact CZ3-CD1 4.5Å; W352-Y448 HydrophobicContact CZ3-CD2 4.24Å; W352-Y448 HydrophobicContact CZ3-CE1 4.08Å; W352-Y448 AromaticContact CZ3-CE2 3.77Å; W352-Y448 HydrophobicContact CZ3-CE2 3.77Å; W352-Y448 AromaticContact CZ3-CZ 3.66Å; F444-Y448 HydrophobicContact CD1-CE2 4.27Å; F444-Y448 VanDerWaalsContact O-CD2 3.25Å; F444-Y448 WeakPolarHBondContact O-CD2 3.34Å; F444-Y448 PolarHBondContact O-N 3.26Å; F444-Y448 VanDerWaalsContact O-N 3.11Å; N445-Y448 PolarHBondContact O-N 3.21Å; C446-Y448 VanDerWaalsContact C-N 3.32Å; C446-Y448 PolarHBondContact O-N 3.47Å; Y448-G452 PolarHBondContact O-N 2.71Å; Y448-M464 HydrophobicContact CD1-CE 4.07Å
449L82.8Confident84.5Confident63 Ų6322.1 Ų22.133%0.3312%0.117SC..Hα-helixtrans-68.3-49.7-179.1-172.468.3000111.4M395 N445 C446 S451 G452 E453M395-L449 HydrophobicContact CE-CD2 3.92Å; M395-L449 HydrophobicContact SD-CB 4.41Å; M395-L449 HydrophobicContact SD-CD2 3.63Å; N445-L449 PolarHBondContact O-N 2.91Å; N445-L449 VanDerWaalsContact O-N 3.16Å; C446-L449 PolarHBondContact O-N 3.2Å; L449-S451 PolarHBondContact O-N 3.21Å; L449-G452 PolarHBondContact O-N 2.75Å; L449-G452 VanDerWaalsContact O-N 3.11Å; L449-E453 PolarHBondContact O-N 3.19Å
450Y85.4Confident83.7Confident2 Ų223.9 Ų23.91%0.00812%0.12CC..Hα-helixtrans-64.5-40.2-174.2-169.7-155.5000112.1L348 R400 C446 G452 E453 L454 L510 P511 T513L348-Y450 HydrophobicContact CD2-CD1 4.47Å; R400-Y450 HydrophobicContact CB-CD2 3.8Å; R400-Y450 HydrophobicContact CB-CE2 4.06Å; R400-Y450 HydrophobicContact CB-CG 4.19Å; R400-Y450 HydrophobicContact CG-CD2 4.38Å; C446-Y450 WeakPolarHBondContact O-CB 3.32Å; C446-Y450 PolarHBondContact O-N 3.14Å; Y450-G452 VanDerWaalsContact C-N 3.31Å; Y450-G452 PolarHBondContact O-N 3.49Å; Y450-E453 PolarHBondContact O-N 3.12Å; Y450-L454 HydrophobicContact CD1-CD1 3.9Å; Y450-L454 HydrophobicContact CD2-CD1 3.54Å; Y450-L454 HydrophobicContact CD2-CG 3.8Å; Y450-L454 HydrophobicContact CE1-CD1 3.85Å; Y450-L454 HydrophobicContact CE2-CD1 3.47Å; Y450-L454 VanDerWaalsContact CE2-CD1 3.47Å; Y450-L454 HydrophobicContact CE2-CD2 4.07Å; Y450-L454 HydrophobicContact CE2-CG 3.69Å; Y450-L454 HydrophobicContact CG-CD1 3.76Å; Y450-L454 HydrophobicContact CG-CG 4.47Å; Y450-L454 VanDerWaalsContact O-CB 3.3Å; Y450-L454 WeakPolarHBondContact O-CB 3.42Å; Y450-L454 WeakPolarHBondContact O-CD1 3.38Å; Y450-L454 VanDerWaalsContact O-CG 3.31Å; Y450-L454 WeakPolarHBondContact O-CG 3.1Å; Y450-L454 PolarHBondContact O-N 3.32Å; Y450-L510 HydrophobicContact CD1-CD1 4.31Å; Y450-L510 HydrophobicContact CE1-CB 3.84Å; Y450-L510 HydrophobicContact CE1-CD1 3.61Å; Y450-L510 HydrophobicContact CE1-CG 4.34Å; Y450-L510 WeakPolarHBondContact OH-CB 3.47Å; Y450-P511 WeakPolarHBondContact CE2-O 3.3Å; Y450-P511 PolarHBondContact OH-O 2.03Å; Y450-T513 HydrophobicContact CD2-CG2 4.01Å; Y450-T513 HydrophobicContact CE2-CG2 3.73Å
451S84.8Confident82.6Confident0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-64.7-36.9175.1-54.20000111.8W352 C447 L449 E453 L454 F455 M464W352-S451 PolarHBondContact NE1-OG 2.85Å; C447-S451 WeakPolarHBondContact O-CB 3.37Å; C447-S451 PolarHBondContact O-N 3.36Å; C447-S451 PolarHBondContact O-OG 3.4Å; L449-S451 PolarHBondContact O-N 3.21Å; S451-E453 VanDerWaalsContact C-N 3.33Å; S451-L454 PolarHBondContact O-N 2.88Å; S451-F455 WeakPolarHBondContact O-CD2 3.31Å; S451-F455 PolarHBondContact O-N 3.32Å; S451-F455 VanDerWaalsContact O-N 3.11Å; S451-M464 WeakPolarHBondContact CB-SD 3.27Å
452G79.5Confident82.1Confident18 Ų1832.5 Ų32.519%0.18617%0.166CC..Hα-helixtrans-65.8-33.9174.800000113.3Y448 L449 Y450 R460Y448-G452 PolarHBondContact O-N 2.71Å; L449-G452 PolarHBondContact O-N 2.75Å; L449-G452 VanDerWaalsContact O-N 3.11Å; Y450-G452 VanDerWaalsContact C-N 3.31Å; Y450-G452 PolarHBondContact O-N 3.49Å; G452-R460 WeakPolarHBondContact O-CD 3.01Å; G452-R460 PolarHBondContact O-NE 3.44Å
453E82.7Confident81.7Confident29 Ų2932.1 Ų32.114%0.13616%0.162CC..Hα-helixtrans-80.8-28.9177.7-67.9178.7174.500113.1R400 L449 Y450 S451 T513 L518 P519R400-E453 IonicContact CZ-OE1 3.87Å; R400-E453 IonicContact CZ-OE2 3.76Å; R400-E453 IonicContact NE-OE1 2.98Å; R400-E453 PolarHBondContact NE-OE1 2.62Å; R400-E453 IonicContact NE-OE2 3.53Å; R400-E453 PolarHBondContact NE-OE2 3.33Å; R400-E453 IonicContact NH2-OE1 2.76Å; R400-E453 PolarHBondContact NH2-OE1 2.94Å; R400-E453 IonicContact NH2-OE2 2.99Å; L449-E453 PolarHBondContact O-N 3.19Å; Y450-E453 PolarHBondContact O-N 3.12Å; S451-E453 VanDerWaalsContact C-N 3.33Å; E453-T513 HydrophobicContact CB-CG2 3.87Å; E453-T513 WeakPolarHBondContact OE2-CB 3.11Å; E453-T513 PolarHBondContact OE2-OG1 2.64Å; E453-L518 HydrophobicContact CB-CD2 4.25Å; E453-L518 HydrophobicContact CG-CD2 4.27Å; E453-P519 WeakPolarHBondContact O-CD 3.46Å
454L84.3Confident81.2Confident2 Ų234.3 Ų34.31%0.0117%0.173CC..Hα-helixtrans-80.7-45.5-178.3-83.3165.2000113.3M344 L348 Y450 S451 L510 P511 T513M344-L454 HydrophobicContact CE-CB 4.17Å; M344-L454 HydrophobicContact CG-CB 4.46Å; M344-L454 HydrophobicContact CG-CD1 4.48Å; M344-L454 HydrophobicContact CG-CD2 4.18Å; M344-L454 HydrophobicContact SD-CB 3.73Å; M344-L454 HydrophobicContact SD-CD2 3.69Å; M344-L454 HydrophobicContact SD-CG 4.22Å; L348-L454 HydrophobicContact CD1-CB 4.35Å; L348-L454 HydrophobicContact CD1-CD1 3.88Å; L348-L454 HydrophobicContact CD2-CD1 3.78Å; L348-L454 HydrophobicContact CG-CD1 4.14Å; Y450-L454 HydrophobicContact CD1-CD1 3.9Å; Y450-L454 HydrophobicContact CD2-CD1 3.54Å; Y450-L454 HydrophobicContact CD2-CG 3.8Å; Y450-L454 HydrophobicContact CE1-CD1 3.85Å; Y450-L454 HydrophobicContact CE2-CD1 3.47Å; Y450-L454 VanDerWaalsContact CE2-CD1 3.47Å; Y450-L454 HydrophobicContact CE2-CD2 4.07Å; Y450-L454 HydrophobicContact CE2-CG 3.69Å; Y450-L454 HydrophobicContact CG-CD1 3.76Å; Y450-L454 HydrophobicContact CG-CG 4.47Å; Y450-L454 VanDerWaalsContact O-CB 3.3Å; Y450-L454 WeakPolarHBondContact O-CB 3.42Å; Y450-L454 WeakPolarHBondContact O-CD1 3.38Å; Y450-L454 VanDerWaalsContact O-CG 3.31Å; Y450-L454 WeakPolarHBondContact O-CG 3.1Å; Y450-L454 PolarHBondContact O-N 3.32Å; S451-L454 PolarHBondContact O-N 2.88Å; L454-L510 HydrophobicContact CD1-CD2 4.23Å; L454-P511 HydrophobicContact CD2-CG 3.52Å; L454-T513 HydrophobicContact CD2-CG2 4.22Å; L454-T513 HydrophobicContact CG-CG2 4.16Å
455F83.1Confident80.9Confident0 Ų034.9 Ų34.90%019%0.188CC..SBendtrans-74.8133.7-177.5-70.7-65.5000111.5M341 M344 L348 S451 R460 G463 V467M341-F455 HydrophobicContact CE-CD1 3.93Å; M341-F455 HydrophobicContact CE-CE1 4.3Å; M344-F455 HydrophobicContact CE-CD1 3.36Å; M344-F455 HydrophobicContact CE-CE1 3.59Å; M344-F455 HydrophobicContact CE-CG 4.07Å; M344-F455 HydrophobicContact CE-CZ 4.46Å; L348-F455 HydrophobicContact CD1-CD2 4.37Å; L348-F455 HydrophobicContact CD1-CE1 4.48Å; L348-F455 HydrophobicContact CD1-CE2 3.65Å; L348-F455 HydrophobicContact CD1-CZ 3.71Å; S451-F455 WeakPolarHBondContact O-CD2 3.31Å; S451-F455 PolarHBondContact O-N 3.32Å; S451-F455 VanDerWaalsContact O-N 3.11Å; F455-R460 HydrophobicContact CB-CB 4.14Å; F455-R460 HydrophobicContact CB-CG 4.15Å; F455-R460 PolarHBondContact O-NE 3.31Å; F455-R460 PolarHBondContact O-NH2 3.24Å; F455-G463 VanDerWaalsContact CE2-C 3.42Å; F455-V467 HydrophobicContact CE2-CG1 3.94Å; F455-V467 HydrophobicContact CE2-CG2 4.36Å; F455-V467 HydrophobicContact CZ-CG1 3.9Å
456P76.6Confident80.9Confident0 Ų036.7 Ų36.70%019%0.191CC..  trans-69.7148.6-178.524.9-27.6000111.2M341 I458 I459 R460 P519 I522 V525M341-P456 HydrophobicContact CE-CG 4.29Å; M341-P456 HydrophobicContact SD-CG 4.3Å; P456-I458 PolarHBondContact O-N 3.14Å; P456-I459 HydrophobicContact CG-CD1 3.83Å; P456-I459 HydrophobicContact CG-CG1 3.56Å; P456-I459 CarbonylContact O-C 3.33Å; P456-I459 PolarHBondContact O-N 3.13Å; P456-R460 WeakPolarHBondContact O-CA 3.45Å; P456-R460 WeakPolarHBondContact O-CB 3.48Å; P456-R460 PolarHBondContact O-N 3.37Å; P456-P519 WeakPolarHBondContact CA-O 3.47Å; P456-P519 HydrophobicContact CB-CB 4.2Å; P456-P519 HydrophobicContact CB-CG 4.33Å; P456-I522 HydrophobicContact CG-CG1 4.25Å; P456-V525 HydrophobicContact CB-CG2 4.02Å; P456-V525 HydrophobicContact CG-CG2 3.9Å
457T73.2Confident81Confident65 Ų6536.6 Ų36.640%0.39919%0.191SC..THydrogen-bonded Turntrans-51.8-35.9-168-51.80000113.2R460 P519 D520T457-R460 PolarHBondContact OG1-NH2 3.43Å; T457-P519 PolarHBondContact N-O 3.36Å; T457-P519 VanDerWaalsContact N-O 3.08Å; T457-P519 PolarHBondContact OG1-O 3.19Å; T457-D520 PolarHBondContact OG1-OD1 3.07Å
458I69.3Low81Confident58 Ų5837.6 Ų37.630%0.29720%0.198SC..THydrogen-bonded Turntrans-66.1-37.3-179-57.6166.1000113P456 D520 T521P456-I458 PolarHBondContact O-N 3.14Å; I458-D520 WeakPolarHBondContact CD1-O 3.43Å; I458-D520 WeakPolarHBondContact CG1-O 3.37Å; I458-T521 HydrophobicContact CD1-CG2 4.3Å
459I74.1Confident81.2Confident1 Ų134 Ų341%0.00519%0.185CC..THydrogen-bonded Turntrans-117.89.6-176.155.4165.2000112.9L335 M341 P456 Q461 S462 G463 I522L335-I459 HydrophobicContact CD1-CB 4.19Å; L335-I459 HydrophobicContact CD1-CD1 4.16Å; M341-I459 HydrophobicContact CE-CD1 3.45Å; M341-I459 VanDerWaalsContact CE-CD1 3.45Å; P456-I459 HydrophobicContact CG-CD1 3.83Å; P456-I459 HydrophobicContact CG-CG1 3.56Å; P456-I459 CarbonylContact O-C 3.33Å; P456-I459 PolarHBondContact O-N 3.13Å; I459-Q461 VanDerWaalsContact C-N 3.34Å; I459-Q461 PolarHBondContact O-N 3.48Å; I459-S462 PolarHBondContact O-N 3.14Å; I459-G463 PolarHBondContact O-N 3.1Å; I459-I522 HydrophobicContact CD1-CD1 4.15Å; I459-I522 HydrophobicContact CD1-CG1 3.99Å; I459-I522 HydrophobicContact CG1-CG1 4.44Å
460R77.8Confident81.6Confident62 Ų6232.8 Ų32.823%0.23418%0.179CC..Hα-helixtrans-57.2-44.9-177.5-175.9-179.4-63.6140.17.3112.5G452 F455 P456 T457 G463 M464G452-R460 WeakPolarHBondContact O-CD 3.01Å; G452-R460 PolarHBondContact O-NE 3.44Å; F455-R460 HydrophobicContact CB-CB 4.14Å; F455-R460 HydrophobicContact CB-CG 4.15Å; F455-R460 PolarHBondContact O-NE 3.31Å; F455-R460 PolarHBondContact O-NH2 3.24Å; P456-R460 WeakPolarHBondContact O-CA 3.45Å; P456-R460 WeakPolarHBondContact O-CB 3.48Å; P456-R460 PolarHBondContact O-N 3.37Å; T457-R460 PolarHBondContact OG1-NH2 3.43Å; R460-G463 PolarHBondContact O-N 3.3Å; R460-M464 HydrophobicContact CG-CG 4.29Å; R460-M464 WeakPolarHBondContact O-CB 3.12Å; R460-M464 WeakPolarHBondContact O-CG 3.41Å; R460-M464 PolarHBondContact O-N 3.3Å
461Q70.5Confident81.9Confident135 Ų13532.9 Ų32.963%0.63118%0.179SC*.Hα-helixtrans-65.8-41.2-179.2-171.8172-14.100111.7I459 G465I459-Q461 VanDerWaalsContact C-N 3.34Å; I459-Q461 PolarHBondContact O-N 3.48Å; Q461-G465 PolarHBondContact O-N 3.09Å
462S78.6Confident82.2Confident49 Ų4935 Ų3534%0.34319%0.188SC..Hα-helixtrans-66-42174.7-52.30000112.2I459 G465 W466I459-S462 PolarHBondContact O-N 3.14Å; S462-G465 PolarHBondContact O-N 3.46Å; S462-W466 PolarHBondContact O-N 3.2Å
463G82.5Confident82.9Confident0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-57.6-53.8172.900000113F455 I459 R460 G465 W466 V467F455-G463 VanDerWaalsContact CE2-C 3.42Å; I459-G463 PolarHBondContact O-N 3.1Å; R460-G463 PolarHBondContact O-N 3.3Å; G463-G465 VanDerWaalsContact C-N 3.3Å; G463-G465 PolarHBondContact O-N 3.28Å; G463-W466 PolarHBondContact O-N 3.37Å; G463-V467 WeakPolarHBondContact O-CG2 3.34Å; G463-V467 PolarHBondContact O-N 3.29Å
464M82.8Confident83.4Confident47 Ų4734.7 Ų34.723%0.23218%0.184CC..Hα-helixtrans-58.3-41.6176-72.1-66.6-7100111.8Y448 S451 R460 V467 S468Y448-M464 HydrophobicContact CD1-CE 4.07Å; S451-M464 WeakPolarHBondContact CB-SD 3.27Å; R460-M464 HydrophobicContact CG-CG 4.29Å; R460-M464 WeakPolarHBondContact O-CB 3.12Å; R460-M464 WeakPolarHBondContact O-CG 3.41Å; R460-M464 PolarHBondContact O-N 3.3Å; M464-V467 WeakPolarHBondContact O-CG2 3.37Å; M464-S468 WeakPolarHBondContact O-CB 3.39Å; M464-S468 PolarHBondContact O-N 2.76Å
465G82.5Confident83.7Confident43 Ų4334.6 Ų34.644%0.44318%0.184SC..Hα-helixtrans-60.5-45.5175.100000112.7Q461 S462 G463 M469Q461-G465 PolarHBondContact O-N 3.09Å; S462-G465 PolarHBondContact O-N 3.46Å; G463-G465 VanDerWaalsContact C-N 3.3Å; G463-G465 PolarHBondContact O-N 3.28Å; G465-M469 WeakPolarHBondContact O-CB 3.47Å; G465-M469 PolarHBondContact O-N 3.3Å
466W87.9Confident84.1Confident80 Ų8037.4 Ų37.430%0.30320%0.197SC..Hα-helixtrans-63.6-50.1178.8178.4-92.1000112.9L335 F336 S349 S462 G463 S468 M469 M470L335-W466 HydrophobicContact CD2-CB 4Å; L335-W466 HydrophobicContact CD2-CG 4.34Å; F336-W466 HydrophobicContact CE1-CZ2 4.4Å; F336-W466 HydrophobicContact CE2-CD2 4.32Å; F336-W466 HydrophobicContact CE2-CE3 4.4Å; F336-W466 HydrophobicContact CE2-CH2 4.23Å; F336-W466 HydrophobicContact CE2-CZ2 4.16Å; F336-W466 HydrophobicContact CE2-CZ3 4.36Å; F336-W466 AromaticContact CZ-CD2 4Å; F336-W466 HydrophobicContact CZ-CD2 4Å; F336-W466 AromaticContact CZ-CE2 3.49Å; F336-W466 VanDerWaalsContact CZ-CE2 3.49Å; F336-W466 HydrophobicContact CZ-CE3 4.46Å; F336-W466 HydrophobicContact CZ-CH2 4.02Å; F336-W466 AromaticContact CZ-CZ2 3.5Å; F336-W466 HydrophobicContact CZ-CZ2 3.5Å; F336-W466 VanDerWaalsContact CZ-CZ2 3.5Å; F336-W466 HydrophobicContact CZ-CZ3 4.47Å; F336-W466 AromaticContact CZ-NE1 3.78Å; S349-W466 VanDerWaalsContact OG-CD1 3.25Å; S349-W466 PolarHBondContact OG-NE1 3.34Å; S462-W466 PolarHBondContact O-N 3.2Å; G463-W466 PolarHBondContact O-N 3.37Å; W466-S468 VanDerWaalsContact C-N 3.31Å; W466-S468 PolarHBondContact O-N 2.96Å; W466-M469 HydrophobicContact CD2-CE 4.22Å; W466-M469 HydrophobicContact CE3-CE 3.77Å; W466-M469 HydrophobicContact CH2-CE 4.1Å; W466-M469 HydrophobicContact CZ3-CE 3.71Å; W466-M469 WeakPolarHBondContact O-CB 3.43Å; W466-M469 PolarHBondContact O-N 3.48Å; W466-M470 HydrophobicContact CD2-CE 4.42Å; W466-M470 HydrophobicContact CH2-CE 3.81Å; W466-M470 HydrophobicContact CZ2-CE 3.26Å; W466-M470 PolarHBondContact O-N 3.22Å; W466-M470 VanDerWaalsContact O-N 3.08Å
467V90.3Very high84.9Confident0 Ų040.2 Ų40.20%022%0.215CC..Hα-helixtrans-67.9-33.9-179-59.50000111.7L348 W352 F455 G463 M464 M470 A471L348-V467 HydrophobicContact CB-CG1 3.79Å; W352-V467 HydrophobicContact CB-CB 4.42Å; W352-V467 WeakPolarHBondContact CB-O 3.48Å; W352-V467 HydrophobicContact CD2-CB 4.19Å; W352-V467 HydrophobicContact CD2-CG2 4.06Å; W352-V467 HydrophobicContact CG-CB 3.87Å; W352-V467 HydrophobicContact CG-CG2 4.23Å; W352-V467 HydrophobicContact CZ2-CG2 4Å; F455-V467 HydrophobicContact CE2-CG1 3.94Å; F455-V467 HydrophobicContact CE2-CG2 4.36Å; F455-V467 HydrophobicContact CZ-CG1 3.9Å; G463-V467 WeakPolarHBondContact O-CG2 3.34Å; G463-V467 PolarHBondContact O-N 3.29Å; M464-V467 WeakPolarHBondContact O-CG2 3.37Å; V467-M470 PolarHBondContact O-N 3.18Å; V467-A471 PolarHBondContact O-N 3.14Å
468S86.9Confident85.7Confident21 Ų2137.1 Ų37.115%0.14720%0.196CC..Hα-helixtrans-63.6-42.7172-178.10000111.7M464 W466 M470 A471 R472M464-S468 WeakPolarHBondContact O-CB 3.39Å; M464-S468 PolarHBondContact O-N 2.76Å; W466-S468 VanDerWaalsContact C-N 3.31Å; W466-S468 PolarHBondContact O-N 2.96Å; S468-M470 VanDerWaalsContact C-N 3.29Å; S468-M470 PolarHBondContact O-N 3.47Å; S468-A471 WeakPolarHBondContact O-CB 3.41Å; S468-A471 PolarHBondContact O-N 3.1Å; S468-A471 VanDerWaalsContact O-N 3.17Å; S468-R472 WeakPolarHBondContact O-CG 3.36Å; S468-R472 PolarHBondContact O-N 3.36Å
469M89.5Confident86.5Confident39 Ų3934.4 Ų34.419%0.19218%0.182CC..Hα-helixtrans-56.8-44.4173.2-173.9-173.572.600111.1L152 L156 G465 W466 A471 R472 V473L152-M469 HydrophobicContact CD1-CG 3.62Å; L156-M469 HydrophobicContact CD1-SD 4.42Å; L156-M469 HydrophobicContact CD2-CG 4.29Å; L156-M469 HydrophobicContact CD2-SD 3.83Å; G465-M469 WeakPolarHBondContact O-CB 3.47Å; G465-M469 PolarHBondContact O-N 3.3Å; W466-M469 HydrophobicContact CD2-CE 4.22Å; W466-M469 HydrophobicContact CE3-CE 3.77Å; W466-M469 HydrophobicContact CH2-CE 4.1Å; W466-M469 HydrophobicContact CZ3-CE 3.71Å; W466-M469 WeakPolarHBondContact O-CB 3.43Å; W466-M469 PolarHBondContact O-N 3.48Å; M469-A471 VanDerWaalsContact C-N 3.34Å; M469-A471 PolarHBondContact O-N 2.97Å; M469-R472 WeakPolarHBondContact O-CA 3.2Å; M469-R472 WeakPolarHBondContact O-CB 3.18Å; M469-R472 PolarHBondContact O-N 2.84Å; M469-V473 WeakPolarHBondContact O-CG2 3.38Å; M469-V473 PolarHBondContact O-N 3.36Å
470M92.2Very high87.2Confident38 Ų3837.5 Ų37.519%0.18720%0.197CC..Hα-helixtrans-64.6-35.6177.4-68.1-58.5165.200113.2L353 W466 V467 S468 R472 V473 G474L353-M470 HydrophobicContact CB-CB 4.44Å; W466-M470 HydrophobicContact CD2-CE 4.42Å; W466-M470 HydrophobicContact CH2-CE 3.81Å; W466-M470 HydrophobicContact CZ2-CE 3.26Å; W466-M470 PolarHBondContact O-N 3.22Å; W466-M470 VanDerWaalsContact O-N 3.08Å; V467-M470 PolarHBondContact O-N 3.18Å; S468-M470 VanDerWaalsContact C-N 3.29Å; S468-M470 PolarHBondContact O-N 3.47Å; M470-R472 VanDerWaalsContact C-N 3.34Å; M470-V473 PolarHBondContact O-N 3.42Å; M470-G474 PolarHBondContact O-N 2.9Å
471A91.4Very high87.7Confident3 Ų335.5 Ų35.53%0.02519%0.192CC..Hα-helixtrans-63.7-37.9168.900000112.9W352 S356 V467 S468 M469 G474 S475W352-A471 HydrophobicContact CB-CB 4.09Å; W352-A471 HydrophobicContact CD2-CB 4.47Å; W352-A471 HydrophobicContact CE3-CB 3.62Å; W352-A471 HydrophobicContact CZ3-CB 4.47Å; S356-A471 WeakPolarHBondContact CB-O 3.34Å; S356-A471 PolarHBondContact OG-O 3.02Å; V467-A471 PolarHBondContact O-N 3.14Å; S468-A471 WeakPolarHBondContact O-CB 3.41Å; S468-A471 PolarHBondContact O-N 3.1Å; S468-A471 VanDerWaalsContact O-N 3.17Å; M469-A471 VanDerWaalsContact C-N 3.34Å; M469-A471 PolarHBondContact O-N 2.97Å; A471-G474 PolarHBondContact O-N 3.32Å; A471-S475 PolarHBondContact O-N 3.27Å; A471-S475 PolarHBondContact O-OG 2.87Å
472R91.4Very high88.3Confident45 Ų4530 Ų3017%0.1717%0.166CC..Hα-helixtrans-66.5-38.1175.8-60.9-47.4-177.2168.8-0.5112.1V151 L152 S468 M469 M470 G474 S475 M476V151-R472 HydrophobicContact CG1-CG 4.45Å; L152-R472 HydrophobicContact CB-CB 4.02Å; L152-R472 HydrophobicContact CD1-CB 3.75Å; L152-R472 HydrophobicContact CG-CB 4.48Å; S468-R472 WeakPolarHBondContact O-CG 3.36Å; S468-R472 PolarHBondContact O-N 3.36Å; M469-R472 WeakPolarHBondContact O-CA 3.2Å; M469-R472 WeakPolarHBondContact O-CB 3.18Å; M469-R472 PolarHBondContact O-N 2.84Å; M470-R472 VanDerWaalsContact C-N 3.34Å; R472-G474 VanDerWaalsContact C-N 3.35Å; R472-S475 WeakPolarHBondContact CA-OG 3.35Å; R472-S475 PolarHBondContact O-N 3.03Å; R472-S475 PolarHBondContact O-OG 3.1Å; R472-M476 PolarHBondContact O-N 3.34Å
473V93.4Very high88.5Confident40 Ų4029.6 Ų29.624%0.24216%0.16CC..Hα-helixtrans-59.3-47169.7175.40000110.3L152 M469 M470 S475 M476 V477L152-V473 HydrophobicContact CD1-CG2 4.25Å; L152-V473 HydrophobicContact CD2-CG2 4.1Å; M469-V473 WeakPolarHBondContact O-CG2 3.38Å; M469-V473 PolarHBondContact O-N 3.36Å; M470-V473 PolarHBondContact O-N 3.42Å; V473-S475 VanDerWaalsContact C-N 3.34Å; V473-S475 PolarHBondContact O-N 3.48Å; V473-M476 WeakPolarHBondContact O-CB 3.49Å; V473-M476 PolarHBondContact O-N 3.28Å; V473-M476 VanDerWaalsContact O-N 3.08Å; V473-V477 HydrophobicContact CG1-CG2 4.3Å; V473-V477 WeakPolarHBondContact O-CG2 3.5Å; V473-V477 PolarHBondContact O-N 3.49Å
474G92.4Very high88.5Confident1 Ų132 Ų321%0.0118%0.175CC..Hα-helixtrans-55.5-44.5174.900000113.3F357 M470 A471 R472 M476 V477 A478F357-G474 WeakPolarHBondContact CA-O 3.1Å; M470-G474 PolarHBondContact O-N 2.9Å; A471-G474 PolarHBondContact O-N 3.32Å; R472-G474 VanDerWaalsContact C-N 3.35Å; G474-M476 VanDerWaalsContact C-N 3.31Å; G474-M476 PolarHBondContact O-N 3.05Å; G474-V477 PolarHBondContact O-N 2.95Å; G474-A478 PolarHBondContact O-N 3.19Å
475S91.4Very high88.3Confident0 Ų030.3 Ų30.30%017%0.169CC..Hα-helixtrans-67.7-28.5176.8580000114A471 R472 V473 P479A471-S475 PolarHBondContact O-N 3.27Å; A471-S475 PolarHBondContact O-OG 2.87Å; R472-S475 WeakPolarHBondContact CA-OG 3.35Å; R472-S475 PolarHBondContact O-N 3.03Å; R472-S475 PolarHBondContact O-OG 3.1Å; V473-S475 VanDerWaalsContact C-N 3.34Å; V473-S475 PolarHBondContact O-N 3.48Å; S475-P479 VanDerWaalsContact O-CD 3.24Å; S475-P479 WeakPolarHBondContact O-CD 3.22Å
476M92.2Very high87.8Confident58 Ų5832 Ų3229%0.28617%0.168SC..Hα-helixtrans-76.5-36.7176.6-173.7-175.577.600111.6T145 M148 L152 R472 V473 G474 A478 P479T145-M476 HydrophobicContact CG2-CG 3.75Å; T145-M476 WeakPolarHBondContact CG2-O 3.49Å; M148-M476 HydrophobicContact CB-CB 4.13Å; L152-M476 HydrophobicContact CD2-SD 4.35Å; R472-M476 PolarHBondContact O-N 3.34Å; V473-M476 WeakPolarHBondContact O-CB 3.49Å; V473-M476 PolarHBondContact O-N 3.28Å; V473-M476 VanDerWaalsContact O-N 3.08Å; G474-M476 VanDerWaalsContact C-N 3.31Å; G474-M476 PolarHBondContact O-N 3.05Å; M476-A478 VanDerWaalsContact C-N 3.34Å; M476-P479 WeakPolarHBondContact O-CD 3.26Å
477V92.1Very high87.5Confident60 Ų6035.9 Ų35.936%0.36419%0.189SC..Hα-helixtrans-75.1-25.5177.3177.80000111.7F357 V473 G474 M480 V481F357-V477 HydrophobicContact CD2-CB 4.4Å; F357-V477 HydrophobicContact CD2-CG1 4.35Å; F357-V477 HydrophobicContact CE2-CG1 4.1Å; V473-V477 HydrophobicContact CG1-CG2 4.3Å; V473-V477 WeakPolarHBondContact O-CG2 3.5Å; V473-V477 PolarHBondContact O-N 3.49Å; G474-V477 PolarHBondContact O-N 2.95Å; V477-M480 WeakPolarHBondContact O-CB 3.48Å; V477-M480 PolarHBondContact O-N 2.91Å; V477-M480 VanDerWaalsContact O-N 3.14Å; V477-V481 HydrophobicContact CG1-CG2 4.09Å; V477-V481 PolarHBondContact O-N 3Å
478A90.6Very high87.1Confident0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-54.5-55-176.400000114F357 G474 M476 M480 V481 Q482 Y496F357-A478 HydrophobicContact CD2-CB 3.84Å; F357-A478 HydrophobicContact CE2-CB 4.24Å; F357-A478 WeakPolarHBondContact O-CB 3.18Å; G474-A478 PolarHBondContact O-N 3.19Å; M476-A478 VanDerWaalsContact C-N 3.34Å; A478-M480 VanDerWaalsContact C-N 3.28Å; A478-M480 PolarHBondContact O-N 3.14Å; A478-V481 PolarHBondContact O-N 2.9Å; A478-Q482 PolarHBondContact O-N 3.32Å; A478-Y496 HydrophobicContact CB-CE1 4.36Å; A478-Y496 PolarHBondContact O-OH 3Å
479P86.9Confident86.7Confident1 Ų142.4 Ų42.41%0.00623%0.227CC..Hα-helixtrans-63.8-32.5178-12.423000112.7Q141 Q144 T145 M364 S475 M476 V481 Q482Q141-P479 HydrophobicContact CB-CB 4.24Å; Q141-P479 PolarHBondContact OE1-O 3.02Å; Q144-P479 HydrophobicContact CB-CB 4.29Å; Q144-P479 HydrophobicContact CB-CG 4.1Å; Q144-P479 HydrophobicContact CG-CB 4.41Å; Q144-P479 HydrophobicContact CG-CG 3.8Å; T145-P479 WeakPolarHBondContact OG1-CB 3.43Å; M364-P479 HydrophobicContact SD-CG 3.74Å; S475-P479 VanDerWaalsContact O-CD 3.24Å; S475-P479 WeakPolarHBondContact O-CD 3.22Å; M476-P479 WeakPolarHBondContact O-CD 3.26Å; P479-V481 VanDerWaalsContact C-N 3.31Å; P479-V481 PolarHBondContact O-N 3.47Å; P479-Q482 VanDerWaalsContact O-CB 3.27Å; P479-Q482 WeakPolarHBondContact O-CB 2.94Å; P479-Q482 PolarHBondContact O-N 3.45Å; P479-Q482 VanDerWaalsContact O-N 3.09Å
480M87Confident86.4Confident65 Ų6547.7 Ų47.732%0.3225%0.245SC..Hα-helixtrans-63.6-35.3178.8-69.5-70.8111.100112.8M142 T145 V477 A478 Q482 L483M142-M480 HydrophobicContact CB-CE 4.41Å; T145-M480 HydrophobicContact CG2-CE 3.93Å; T145-M480 HydrophobicContact CG2-CG 3.89Å; T145-M480 HydrophobicContact CG2-SD 4.36Å; T145-M480 WeakPolarHBondContact OG1-CE 3.36Å; V477-M480 WeakPolarHBondContact O-CB 3.48Å; V477-M480 PolarHBondContact O-N 2.91Å; V477-M480 VanDerWaalsContact O-N 3.14Å; A478-M480 VanDerWaalsContact C-N 3.28Å; A478-M480 PolarHBondContact O-N 3.14Å; M480-Q482 VanDerWaalsContact C-N 3.28Å; M480-Q482 PolarHBondContact O-N 3.3Å; M480-L483 HydrophobicContact CE-CD1 3.96Å; M480-L483 WeakPolarHBondContact O-CB 3.26Å; M480-L483 PolarHBondContact O-N 3.35Å; M480-L483 HydrophobicContact SD-CD1 3.99Å
481V88.9Confident86.2Confident21 Ų2147.7 Ų47.713%0.12725%0.246CC..Hα-helixtrans-70.3-27.6175.1172.80000111.8F357 V477 A478 P479 L483 T484 P492 I495F357-V481 HydrophobicContact CE2-CB 4.06Å; F357-V481 HydrophobicContact CE2-CG2 3.67Å; F357-V481 HydrophobicContact CZ-CB 4.02Å; F357-V481 HydrophobicContact CZ-CG1 4.1Å; F357-V481 HydrophobicContact CZ-CG2 3.8Å; V477-V481 HydrophobicContact CG1-CG2 4.09Å; V477-V481 PolarHBondContact O-N 3Å; A478-V481 PolarHBondContact O-N 2.9Å; P479-V481 VanDerWaalsContact C-N 3.31Å; P479-V481 PolarHBondContact O-N 3.47Å; V481-L483 PolarHBondContact O-N 3.1Å; V481-T484 WeakPolarHBondContact O-CB 3.3Å; V481-T484 PolarHBondContact O-N 3.29Å; V481-T484 PolarHBondContact O-OG1 2.86Å; V481-P492 HydrophobicContact CG1-CB 4.38Å; V481-I495 HydrophobicContact CG1-CB 4.03Å; V481-I495 HydrophobicContact CG1-CD1 3.68Å; V481-I495 HydrophobicContact CG1-CG1 4.46Å; V481-I495 HydrophobicContact CG1-CG2 4.04Å
482Q83.8Confident86Confident19 Ų1947.7 Ų47.79%0.08925%0.245CC..Hα-helixtrans-65.3-25.3176.1-161.9179.11.600111.6D365 A478 P479 M480 T484 G485 Y496D365-Q482 VanDerWaalsContact CB-NE2 3.3Å; D365-Q482 PolarHBondContact OD1-NE2 3.1Å; A478-Q482 PolarHBondContact O-N 3.32Å; P479-Q482 VanDerWaalsContact O-CB 3.27Å; P479-Q482 WeakPolarHBondContact O-CB 2.94Å; P479-Q482 PolarHBondContact O-N 3.45Å; P479-Q482 VanDerWaalsContact O-N 3.09Å; M480-Q482 VanDerWaalsContact C-N 3.28Å; M480-Q482 PolarHBondContact O-N 3.3Å; Q482-T484 VanDerWaalsContact C-N 3.27Å; Q482-T484 PolarHBondContact O-N 2.84Å; Q482-G485 PolarHBondContact O-N 2.74Å; Q482-G485 VanDerWaalsContact O-N 3.14Å; Q482-Y496 PolarHBondContact N-OH 3.29Å
483L83.4Confident85.8Confident41 Ų4146.5 Ų46.522%0.21525%0.247CC..Hα-helixtrans-65.5-34.8177.2-70.5175.7000110.7S138 Q141 M480 V481 G485 D486S138-L483 VanDerWaalsContact CA-CD2 3.47Å; Q141-L483 HydrophobicContact CB-CD2 3.83Å; Q141-L483 HydrophobicContact CB-CG 4.11Å; Q141-L483 VanDerWaalsContact CD-CD2 3.46Å; Q141-L483 HydrophobicContact CG-CD2 3.99Å; M480-L483 HydrophobicContact CE-CD1 3.96Å; M480-L483 WeakPolarHBondContact O-CB 3.26Å; M480-L483 PolarHBondContact O-N 3.35Å; M480-L483 HydrophobicContact SD-CD1 3.99Å; V481-L483 PolarHBondContact O-N 3.1Å; L483-G485 PolarHBondContact O-N 2.69Å; L483-G485 VanDerWaalsContact O-N 3.1Å; L483-D486 WeakPolarHBondContact O-CB 3.3Å; L483-D486 PolarHBondContact O-N 3.32Å
484T82.4Confident85.7Confident50 Ų5048.4 Ų48.431%0.30726%0.255SS..G310 helixtrans-64.8-18179.1-33.10000112V481 Q482 D486 H487 I488 L491V481-T484 WeakPolarHBondContact O-CB 3.3Å; V481-T484 PolarHBondContact O-N 3.29Å; V481-T484 PolarHBondContact O-OG1 2.86Å; Q482-T484 VanDerWaalsContact C-N 3.27Å; Q482-T484 PolarHBondContact O-N 2.84Å; T484-D486 PolarHBondContact O-N 3.03Å; T484-H487 PolarHBondContact O-N 3.32Å; T484-I488 PolarHBondContact O-N 3.44Å; T484-L491 HydrophobicContact CG2-CD2 3.51Å; T484-L491 HydrophobicContact CG2-CG 4.48Å
485G77.4Confident85.7Confident12 Ų1251.2 Ų51.212%0.12427%0.27CS..G310 helixtrans-64.5-22.5173.300000114.5Q482 L483 H487 P489 P492Q482-G485 PolarHBondContact O-N 2.74Å; Q482-G485 VanDerWaalsContact O-N 3.14Å; L483-G485 PolarHBondContact O-N 2.69Å; L483-G485 VanDerWaalsContact O-N 3.1Å; G485-H487 VanDerWaalsContact C-N 3.32Å; G485-P489 WeakPolarHBondContact O-CA 3.11Å; G485-P492 VanDerWaalsContact N-CG 3.33Å
486D73.3Confident85.6Confident77 Ų7751.9 Ų51.941%0.41227%0.272SS..G310 helixtrans-72.2-29.4176.7-68.8-36.8000111.4R137 L483 T484R137-D486 WeakPolarHBondContact CD-OD1 3.3Å; R137-D486 IonicContact NH1-OD1 3.23Å; R137-D486 PolarHBondContact NH1-OD1 3.13Å; L483-D486 WeakPolarHBondContact O-CB 3.3Å; L483-D486 PolarHBondContact O-N 3.32Å; T484-D486 PolarHBondContact O-N 3.03Å
487H79.8Confident85.6Confident162 Ų16249.1 Ų49.175%0.7526%0.259SS*.THydrogen-bonded Turntrans-89.8-42.9174.3-59.4-59.5000112.2T484 G485T484-H487 PolarHBondContact O-N 3.32Å; G485-H487 VanDerWaalsContact C-N 3.32Å
488I83.3Confident85.7Confident65 Ų6547.1 Ų47.133%0.33325%0.25SS..  trans-133.898.9-176-54.6177.4000109.2T484 W490 L491 P492T484-I488 PolarHBondContact O-N 3.44Å; I488-W490 VanDerWaalsContact C-N 3.29Å; I488-W490 HydrophobicContact CG2-CD2 3.84Å; I488-W490 HydrophobicContact CG2-CG 4.06Å; I488-W490 HydrophobicContact CG2-CZ2 3.78Å; I488-W490 VanDerWaalsContact CG2-NE1 3.29Å; I488-W490 PolarHBondContact O-N 3.33Å; I488-W490 VanDerWaalsContact O-N 3.14Å; I488-L491 HydrophobicContact CB-CB 3.85Å; I488-L491 HydrophobicContact CB-CD2 4.31Å; I488-L491 HydrophobicContact CD1-CD2 4.1Å; I488-L491 HydrophobicContact CG2-CB 3.71Å; I488-L491 WeakPolarHBondContact O-CB 3.19Å; I488-L491 PolarHBondContact O-N 2.95Å; I488-L491 VanDerWaalsContact O-N 3.13Å; I488-P492 VanDerWaalsContact O-CD 3.32Å; I488-P492 WeakPolarHBondContact O-CD 3.5Å
489P78.4Confident85.9Confident94 Ų9448.3 Ų48.361%0.6126%0.26SS*.THydrogen-bonded Turntrans-58.7-31.3-171.4-29.235.6000115.9G485G485-P489 WeakPolarHBondContact O-CA 3.11Å
490W83.1Confident86.2Confident149 Ų14948.3 Ų48.356%0.56426%0.26SS*.THydrogen-bonded Turntrans-86.2-16.7-178.157.1-96000113.8I419 I488 G493 L494I419-W490 HydrophobicContact CG2-CB 4.15Å; I488-W490 VanDerWaalsContact C-N 3.29Å; I488-W490 HydrophobicContact CG2-CD2 3.84Å; I488-W490 HydrophobicContact CG2-CG 4.06Å; I488-W490 HydrophobicContact CG2-CZ2 3.78Å; I488-W490 VanDerWaalsContact CG2-NE1 3.29Å; I488-W490 PolarHBondContact O-N 3.33Å; I488-W490 VanDerWaalsContact O-N 3.14Å; W490-G493 PolarHBondContact O-N 2.81Å; W490-L494 HydrophobicContact CE3-CB 4.4Å; W490-L494 HydrophobicContact CE3-CD2 4.18Å; W490-L494 HydrophobicContact CZ3-CD2 3.65Å; W490-L494 PolarHBondContact O-N 3.39Å; W490-L494 VanDerWaalsContact O-N 3.14Å
491L87.9Confident86.6Confident39 Ų3946.8 Ų46.820%0.20425%0.253CS..Hα-helixtrans-68.4-44.1-171.2-177.861.7000113.6T484 I488 G493 L494 I495T484-L491 HydrophobicContact CG2-CD2 3.51Å; T484-L491 HydrophobicContact CG2-CG 4.48Å; I488-L491 HydrophobicContact CB-CB 3.85Å; I488-L491 HydrophobicContact CB-CD2 4.31Å; I488-L491 HydrophobicContact CD1-CD2 4.1Å; I488-L491 HydrophobicContact CG2-CB 3.71Å; I488-L491 WeakPolarHBondContact O-CB 3.19Å; I488-L491 PolarHBondContact O-N 2.95Å; I488-L491 VanDerWaalsContact O-N 3.13Å; L491-G493 VanDerWaalsContact C-N 3.31Å; L491-G493 PolarHBondContact O-N 2.93Å; L491-L494 PolarHBondContact O-N 2.79Å; L491-I495 HydrophobicContact CD1-CD1 3.98Å; L491-I495 HydrophobicContact CD1-CG1 4.2Å; L491-I495 HydrophobicContact CG-CD1 3.88Å; L491-I495 WeakPolarHBondContact O-CG1 3.44Å; L491-I495 PolarHBondContact O-N 3.29Å
492P86.8Confident86.9Confident3 Ų351.9 Ų51.92%0.01928%0.279CS..Hα-helixtrans-60.3-41.6176.9-23.132.7000112.4V481 G485 I488 L494 I495 Y496V481-P492 HydrophobicContact CG1-CB 4.38Å; G485-P492 VanDerWaalsContact N-CG 3.33Å; I488-P492 VanDerWaalsContact O-CD 3.32Å; I488-P492 WeakPolarHBondContact O-CD 3.5Å; P492-L494 VanDerWaalsContact C-N 3.33Å; P492-L494 PolarHBondContact O-N 3.49Å; P492-I495 PolarHBondContact O-N 3.25Å; P492-Y496 HydrophobicContact CB-CD2 4.31Å; P492-Y496 HydrophobicContact CB-CE2 3.93Å; P492-Y496 WeakPolarHBondContact O-CB 3.14Å; P492-Y496 WeakPolarHBondContact O-CD2 3.35Å; P492-Y496 VanDerWaalsContact O-CG 3.31Å; P492-Y496 PolarHBondContact O-N 3.35Å
493G86.4Confident87.3Confident20 Ų2051.3 Ų51.321%0.20628%0.277CS..Hα-helixtrans-59.8-43.8176.300000112W490 L491 I495 Y496 G497W490-G493 PolarHBondContact O-N 2.81Å; L491-G493 VanDerWaalsContact C-N 3.31Å; L491-G493 PolarHBondContact O-N 2.93Å; G493-I495 VanDerWaalsContact C-N 3.34Å; G493-I495 PolarHBondContact O-N 2.75Å; G493-Y496 PolarHBondContact O-N 3.06Å; G493-G497 PolarHBondContact O-N 3.05Å
494L91.2Very high87.7Confident79 Ų7949.3 Ų49.341%0.41427%0.266SS..Hα-helixtrans-62.1-41.8177.7-178.666.2000111.5L416 I419 W490 L491 P492 G498L416-L494 HydrophobicContact CD2-CD1 3.74Å; I419-L494 HydrophobicContact CD1-CB 4.42Å; I419-L494 VanDerWaalsContact CD1-N 3.34Å; W490-L494 HydrophobicContact CE3-CB 4.4Å; W490-L494 HydrophobicContact CE3-CD2 4.18Å; W490-L494 HydrophobicContact CZ3-CD2 3.65Å; W490-L494 PolarHBondContact O-N 3.39Å; W490-L494 VanDerWaalsContact O-N 3.14Å; L491-L494 PolarHBondContact O-N 2.79Å; P492-L494 VanDerWaalsContact C-N 3.33Å; P492-L494 PolarHBondContact O-N 3.49Å; L494-G498 WeakPolarHBondContact O-CA 3.36Å; L494-G498 PolarHBondContact O-N 3.02Å
495I92.6Very high88.1Confident61 Ų6152.7 Ų52.731%0.31328%0.277SS..Hα-helixtrans-70-44.1179.7-60.6166.1000110.6F357 V481 L491 P492 G493 G497 A499F357-I495 HydrophobicContact CE1-CG2 3.77Å; F357-I495 HydrophobicContact CZ-CG2 3.63Å; V481-I495 HydrophobicContact CG1-CB 4.03Å; V481-I495 HydrophobicContact CG1-CD1 3.68Å; V481-I495 HydrophobicContact CG1-CG1 4.46Å; V481-I495 HydrophobicContact CG1-CG2 4.04Å; L491-I495 HydrophobicContact CD1-CD1 3.98Å; L491-I495 HydrophobicContact CD1-CG1 4.2Å; L491-I495 HydrophobicContact CG-CD1 3.88Å; L491-I495 WeakPolarHBondContact O-CG1 3.44Å; L491-I495 PolarHBondContact O-N 3.29Å; P492-I495 PolarHBondContact O-N 3.25Å; G493-I495 VanDerWaalsContact C-N 3.34Å; G493-I495 PolarHBondContact O-N 2.75Å; I495-G497 VanDerWaalsContact C-N 3.32Å; I495-G497 PolarHBondContact O-N 3.24Å; I495-A499 WeakPolarHBondContact O-CB 3.22Å; I495-A499 PolarHBondContact O-N 3.34Å; I495-A499 VanDerWaalsContact O-N 3.07Å
496Y90.8Very high88.7Confident13 Ų1353.3 Ų53.35%0.05128%0.281CS..Hα-helixtrans-65.8-31177-66.3-47.4000113.3F357 A478 Q482 P492 G493 P500F357-Y496 AromaticContact CD1-CD1 3.9Å; F357-Y496 HydrophobicContact CD1-CD1 3.9Å; F357-Y496 HydrophobicContact CD1-CE1 4.35Å; F357-Y496 HydrophobicContact CD2-CE1 4.35Å; F357-Y496 AromaticContact CE1-CD1 3.3Å; F357-Y496 HydrophobicContact CE1-CD1 3.3Å; F357-Y496 AromaticContact CE1-CE1 3.75Å; F357-Y496 HydrophobicContact CE1-CE1 3.75Å; F357-Y496 HydrophobicContact CE1-CG 4.33Å; F357-Y496 HydrophobicContact CE2-CD1 4.18Å; F357-Y496 AromaticContact CE2-CE1 3.73Å; F357-Y496 HydrophobicContact CE2-CE1 3.73Å; F357-Y496 AromaticContact CZ-CD1 3.45Å; F357-Y496 HydrophobicContact CZ-CD1 3.45Å; F357-Y496 VanDerWaalsContact CZ-CD1 3.45Å; F357-Y496 AromaticContact CZ-CE1 3.37Å; F357-Y496 HydrophobicContact CZ-CE1 3.37Å; A478-Y496 HydrophobicContact CB-CE1 4.36Å; A478-Y496 PolarHBondContact O-OH 3Å; Q482-Y496 PolarHBondContact N-OH 3.29Å; P492-Y496 HydrophobicContact CB-CD2 4.31Å; P492-Y496 HydrophobicContact CB-CE2 3.93Å; P492-Y496 WeakPolarHBondContact O-CB 3.14Å; P492-Y496 WeakPolarHBondContact O-CD2 3.35Å; P492-Y496 VanDerWaalsContact O-CG 3.31Å; P492-Y496 PolarHBondContact O-N 3.35Å; G493-Y496 PolarHBondContact O-N 3.06Å; Y496-P500 WeakPolarHBondContact O-CD 3.49Å; Y496-P500 WeakPolarHBondContact O-CG 3.4Å
497G91.4Very high89.4Confident0 Ų049.6 Ų49.60%026%0.261CS..Hα-helixtrans-84.7-38.2175.900000113.6G412 G493 I495 P500 I501G412-G497 WeakPolarHBondContact CA-O 3.47Å; G493-G497 PolarHBondContact O-N 3.05Å; I495-G497 VanDerWaalsContact C-N 3.32Å; I495-G497 PolarHBondContact O-N 3.24Å; G497-P500 WeakPolarHBondContact O-CD 3.36Å; G497-I501 WeakPolarHBondContact O-CG1 3.33Å
498G94Very high89.8Confident18 Ų1844.6 Ų44.619%0.18624%0.242CC..Hα-helixtrans-72.8-38.9-177.800000113.7L494 I501 L502L494-G498 WeakPolarHBondContact O-CA 3.36Å; L494-G498 PolarHBondContact O-N 3.02Å; G498-I501 PolarHBondContact O-N 3.2Å; G498-L502 WeakPolarHBondContact O-CG 3.27Å; G498-L502 PolarHBondContact O-N 3.44Å
499A94.5Very high89.9Confident26 Ų2649 Ų4922%0.21526%0.259CS..Hα-helixtrans-60.9-45.618000000113S354 F357 I495 I501 L502 S503S354-A499 PolarHBondContact OG-O 3.15Å; F357-A499 HydrophobicContact CD1-CB 4.23Å; F357-A499 HydrophobicContact CE1-CB 4.33Å; I495-A499 WeakPolarHBondContact O-CB 3.22Å; I495-A499 PolarHBondContact O-N 3.34Å; I495-A499 VanDerWaalsContact O-N 3.07Å; A499-I501 VanDerWaalsContact C-N 3.32Å; A499-I501 PolarHBondContact O-N 3.16Å; A499-L502 PolarHBondContact O-N 2.68Å; A499-S503 WeakPolarHBondContact O-CB 3.38Å; A499-S503 PolarHBondContact O-N 3Å; A499-S503 PolarHBondContact O-OG 3.34Å
500P94.4Very high90.3Very high0 Ų044.7 Ų44.70%023%0.231CC..Hα-helixtrans-60.1-36.7173.4-29.337.3000113.9S354 A358 L408 L440 Y496 G497 S503 G504S354-P500 WeakPolarHBondContact OG-CA 3.39Å; A358-P500 HydrophobicContact CB-CG 3.58Å; L408-P500 HydrophobicContact CD2-CB 4.08Å; L408-P500 WeakPolarHBondContact O-CB 3.49Å; L440-P500 HydrophobicContact CD2-CG 4.4Å; Y496-P500 WeakPolarHBondContact O-CD 3.49Å; Y496-P500 WeakPolarHBondContact O-CG 3.4Å; G497-P500 WeakPolarHBondContact O-CD 3.36Å; P500-S503 WeakPolarHBondContact CA-OG 3.11Å; P500-S503 PolarHBondContact O-OG 2.87Å; P500-S503 VanDerWaalsContact O-OG 3.1Å; P500-G504 PolarHBondContact O-N 2.88Å
501I95.3Very high90.3Very high34 Ų3440.5 Ų40.517%0.17422%0.223CC..Hα-helixtrans-66.6-49.3178.1-66.5169.4000110.2V413 L416 G497 G498 A499 S503 G504 F505V413-I501 HydrophobicContact CG2-CD1 4.17Å; L416-I501 HydrophobicContact CD1-CD1 3.49Å; L416-I501 VanDerWaalsContact CD1-CD1 3.49Å; L416-I501 HydrophobicContact CG-CD1 4.39Å; G497-I501 WeakPolarHBondContact O-CG1 3.33Å; G498-I501 PolarHBondContact O-N 3.2Å; A499-I501 VanDerWaalsContact C-N 3.32Å; A499-I501 PolarHBondContact O-N 3.16Å; I501-S503 VanDerWaalsContact C-N 3.34Å; I501-S503 PolarHBondContact O-N 3.19Å; I501-G504 PolarHBondContact O-N 3.11Å; I501-F505 HydrophobicContact CG2-CD2 3.93Å; I501-F505 HydrophobicContact CG2-CE2 3.49Å; I501-F505 VanDerWaalsContact CG2-CE2 3.49Å; I501-F505 WeakPolarHBondContact O-CD2 3.05Å; I501-F505 PolarHBondContact O-N 3.21Å
502L94.8Very high90.2Very high128 Ų12841.5 Ų41.567%0.6723%0.226SC*.Hα-helixtrans-59.3-44.5177.8-73.8160.4000111.7G498 A499 F505 A506G498-L502 WeakPolarHBondContact O-CG 3.27Å; G498-L502 PolarHBondContact O-N 3.44Å; A499-L502 PolarHBondContact O-N 2.68Å; L502-F505 PolarHBondContact O-N 2.9Å; L502-A506 PolarHBondContact O-N 3.05Å
503S92.9Very high90Very high6 Ų641.7 Ų41.74%0.04223%0.227CC..Hα-helixtrans-71.9-30.5177.363.40000113S354 A499 P500 I501 F505 A506 A507S354-S503 WeakPolarHBondContact CB-OG 3.47Å; S354-S503 PolarHBondContact OG-OG 2.75Å; A499-S503 WeakPolarHBondContact O-CB 3.38Å; A499-S503 PolarHBondContact O-N 3Å; A499-S503 PolarHBondContact O-OG 3.34Å; P500-S503 WeakPolarHBondContact CA-OG 3.11Å; P500-S503 PolarHBondContact O-OG 2.87Å; P500-S503 VanDerWaalsContact O-OG 3.1Å; I501-S503 VanDerWaalsContact C-N 3.34Å; I501-S503 PolarHBondContact O-N 3.19Å; S503-F505 VanDerWaalsContact C-N 3.34Å; S503-A506 CarbonylContact O-C 3.6Å; S503-A506 WeakPolarHBondContact O-CB 2.95Å; S503-A506 PolarHBondContact O-N 3.23Å; S503-A506 VanDerWaalsContact O-N 3.16Å; S503-A507 PolarHBondContact O-N 3.44Å
504G91.1Very high89.5Confident0 Ų044 Ų440%023%0.234CC..Hα-helixtrans-61-41.8170.700000111.9P500 I501 A507 V508P500-G504 PolarHBondContact O-N 2.88Å; I501-G504 PolarHBondContact O-N 3.11Å; G504-A507 WeakPolarHBondContact O-CB 3.38Å; G504-A507 PolarHBondContact O-N 3.39Å; G504-V508 PolarHBondContact O-N 3.37Å
505F91.6Very high88.3Confident121 Ų12144.2 Ų44.253%0.53126%0.256SS..Hα-helixtrans-66.1-39.2170.6-71.6-64.2000112.3I501 L502 S503 A507 V508I501-F505 HydrophobicContact CG2-CD2 3.93Å; I501-F505 HydrophobicContact CG2-CE2 3.49Å; I501-F505 VanDerWaalsContact CG2-CE2 3.49Å; I501-F505 WeakPolarHBondContact O-CD2 3.05Å; I501-F505 PolarHBondContact O-N 3.21Å; L502-F505 PolarHBondContact O-N 2.9Å; S503-F505 VanDerWaalsContact C-N 3.34Å; F505-A507 VanDerWaalsContact C-N 3.26Å; F505-A507 PolarHBondContact O-N 3.05Å; F505-V508 VanDerWaalsContact O-CB 3.26Å; F505-V508 WeakPolarHBondContact O-CB 3.36Å; F505-V508 PolarHBondContact O-N 3.24Å; F505-V508 VanDerWaalsContact O-N 3.12Å
506A89.4Confident87.3Confident24 Ų2444.5 Ų44.520%0.19826%0.26CS..Hα-helixtrans-62.3-34.1174.600000112.4C347 L502 S503 V508 F509C347-A506 PolarHBondContact SG-O 3.48Å; L502-A506 PolarHBondContact O-N 3.05Å; S503-A506 CarbonylContact O-C 3.6Å; S503-A506 WeakPolarHBondContact O-CB 2.95Å; S503-A506 PolarHBondContact O-N 3.23Å; S503-A506 VanDerWaalsContact O-N 3.16Å; A506-V508 PolarHBondContact O-N 2.97Å; A506-F509 PolarHBondContact O-N 3.17Å
507A87.7Confident86.1Confident0 Ų051.4 Ų51.40%029%0.293CS..Hα-helixtrans-67.7-20.8176.500000113Q404 S503 G504 F505 F509 L510Q404-A507 HydrophobicContact CG-CB 4.29Å; S503-A507 PolarHBondContact O-N 3.44Å; G504-A507 WeakPolarHBondContact O-CB 3.38Å; G504-A507 PolarHBondContact O-N 3.39Å; F505-A507 VanDerWaalsContact C-N 3.26Å; F505-A507 PolarHBondContact O-N 3.05Å; A507-F509 PolarHBondContact O-N 2.87Å; A507-L510 HydrophobicContact CB-CD1 4.18Å; A507-L510 WeakPolarHBondContact O-CB 3.28Å; A507-L510 PolarHBondContact O-N 3.48Å; A507-L510 VanDerWaalsContact O-N 3.08Å
508V88.3Confident85.2Confident57 Ų5756 Ų5635%0.34532%0.317SS..THydrogen-bonded Turntrans-62.5-28.2172.9179.60000111.1R401 G504 F505 A506 L510R401-V508 PolarHBondContact NE-O 3.44Å; R401-V508 PolarHBondContact NH2-O 3.22Å; G504-V508 PolarHBondContact O-N 3.37Å; F505-V508 VanDerWaalsContact O-CB 3.26Å; F505-V508 WeakPolarHBondContact O-CB 3.36Å; F505-V508 PolarHBondContact O-N 3.24Å; F505-V508 VanDerWaalsContact O-N 3.12Å; A506-V508 PolarHBondContact O-N 2.97Å; V508-L510 PolarHBondContact O-N 3.32Å
509F84.9Confident84.1Confident158 Ų15855.2 Ų55.269%0.69331%0.309SS*.THydrogen-bonded Turntrans-77.4-5.9177.6-64-79.2000113.8A506 A507A506-F509 PolarHBondContact O-N 3.17Å; A507-F509 PolarHBondContact O-N 2.87Å
510L86.3Confident82.8Confident3 Ų358 Ų582%0.01632%0.32CS..SBendtrans-81142.7177.1-63.6165.7000110.9M344 C347 L348 R401 Y450 L454 A507 V508M344-L510 HydrophobicContact CB-CD2 4.46Å; M344-L510 HydrophobicContact CG-CD2 3.93Å; C347-L510 HydrophobicContact CB-CD1 4.31Å; C347-L510 HydrophobicContact CB-CD2 3.67Å; C347-L510 HydrophobicContact CB-CG 3.88Å; L348-L510 HydrophobicContact CD2-CD1 3.8Å; L348-L510 HydrophobicContact CD2-CD2 4.31Å; L348-L510 HydrophobicContact CG-CD1 4.33Å; L348-L510 HydrophobicContact CG-CD2 4.02Å; R401-L510 VanDerWaalsContact CD-O 3.27Å; R401-L510 WeakPolarHBondContact CD-O 3.02Å; R401-L510 PolarHBondContact NE-O 3.03Å; Y450-L510 HydrophobicContact CD1-CD1 4.31Å; Y450-L510 HydrophobicContact CE1-CB 3.84Å; Y450-L510 HydrophobicContact CE1-CD1 3.61Å; Y450-L510 HydrophobicContact CE1-CG 4.34Å; Y450-L510 WeakPolarHBondContact OH-CB 3.47Å; L454-L510 HydrophobicContact CD1-CD2 4.23Å; A507-L510 HydrophobicContact CB-CD1 4.18Å; A507-L510 WeakPolarHBondContact O-CB 3.28Å; A507-L510 PolarHBondContact O-N 3.48Å; A507-L510 VanDerWaalsContact O-N 3.08Å; V508-L510 PolarHBondContact O-N 3.32Å
511P84.1Confident81.7Confident61 Ų6160.6 Ų60.640%0.39634%0.336SS..PPolyproline II helixtrans-75.4144.8179.929.8-32.8000111.5Y450 L454Y450-P511 WeakPolarHBondContact CE2-O 3.3Å; Y450-P511 PolarHBondContact OH-O 2.03Å; L454-P511 HydrophobicContact CD2-CG 3.52Å
512E85.6Confident80.7Confident60 Ų6060.8 Ų60.828%0.2834%0.337SS..PPolyproline II helixtrans-68.1140.4175.1-177.554.1-109.800111R400 R401 P402 L514R400-E512 PolarHBondContact N-OE1 3.27Å; R400-E512 PolarHBondContact N-OE2 2.93Å; R401-E512 VanDerWaalsContact CB-OE2 3.23Å; R401-E512 WeakPolarHBondContact CB-OE2 3.42Å; R401-E512 PolarHBondContact N-OE2 3.42Å; P402-E512 WeakPolarHBondContact CD-OE2 3.38Å; E512-L514 HydrophobicContact CG-CB 4.11Å; E512-L514 WeakPolarHBondContact OE1-CB 3.08Å; E512-L514 PolarHBondContact OE1-N 3.37Å
513T81.9Confident79.4Confident6 Ų661 Ų614%0.03733%0.334CS..  trans-109.8-14.9-178.350.90000113.3R400 Y450 E453 L454 G515 T516R400-T513 WeakPolarHBondContact CD-OG1 3.41Å; R400-T513 WeakPolarHBondContact CG-OG1 3.32Å; Y450-T513 HydrophobicContact CD2-CG2 4.01Å; Y450-T513 HydrophobicContact CE2-CG2 3.73Å; E453-T513 HydrophobicContact CB-CG2 3.87Å; E453-T513 WeakPolarHBondContact OE2-CB 3.11Å; E453-T513 PolarHBondContact OE2-OG1 2.64Å; L454-T513 HydrophobicContact CD2-CG2 4.22Å; L454-T513 HydrophobicContact CG-CG2 4.16Å; T513-G515 PolarHBondContact O-N 3.47Å; T513-T516 WeakPolarHBondContact CA-OG1 3.42Å; T513-T516 PolarHBondContact O-N 3.49Å; T513-T516 VanDerWaalsContact O-N 3.08Å; T513-T516 PolarHBondContact O-OG1 3.31Å
514L76.4Confident78.3Confident68 Ų6863.3 Ų63.336%0.35635%0.346SS..THydrogen-bonded Turntrans-53.3122.2179-178.769000111.9E512 T516E512-L514 HydrophobicContact CG-CB 4.11Å; E512-L514 WeakPolarHBondContact OE1-CB 3.08Å; E512-L514 PolarHBondContact OE1-N 3.37Å; L514-T516 PolarHBondContact O-N 3.36Å
515G65.6Low77.5Confident84 Ų8464 Ų6487%0.86635%0.351SS*.THydrogen-bonded Turntrans71.28176.800000115.2T513T513-G515 PolarHBondContact O-N 3.47Å
516T71.7Confident76.6Confident67 Ų6761 Ų6141%0.41134%0.338SS..PPolyproline II helixtrans-99.2143.4179.568.30000111.9T513 L514 R528T513-T516 WeakPolarHBondContact CA-OG1 3.42Å; T513-T516 PolarHBondContact O-N 3.49Å; T513-T516 VanDerWaalsContact O-N 3.08Å; T513-T516 PolarHBondContact O-OG1 3.31Å; L514-T516 PolarHBondContact O-N 3.36Å; T516-R528 PolarHBondContact OG1-NH2 3.14Å
517H66.1Low75.6Confident159 Ų15962.5 Ų62.574%0.73634%0.343SS*.PPolyproline II helixtrans-66.5135.9174.8-77.3-86.1000111.3R528H517-R528 PolarHBondContact O-NH2 3.16Å
518L72.9Confident74.6Confident95 Ų9566.9 Ų66.950%0.49736%0.359SS..PPolyproline II helixtrans-56.4130.6177.3-71.1158.4000110.5E453 D520E453-L518 HydrophobicContact CB-CD2 4.25Å; E453-L518 HydrophobicContact CG-CD2 4.27Å; L518-D520 PolarHBondContact O-N 2.02Å
519P70.6Confident72.8Confident3 Ų366.9 Ų66.92%0.01937%0.371CS..PPolyproline II helixtrans-69.8128.5178.127.2-30.1000109.5E453 P456 T457 D524 V525E453-P519 WeakPolarHBondContact O-CD 3.46Å; P456-P519 WeakPolarHBondContact CA-O 3.47Å; P456-P519 HydrophobicContact CB-CB 4.2Å; P456-P519 HydrophobicContact CB-CG 4.33Å; T457-P519 PolarHBondContact N-O 3.36Å; T457-P519 VanDerWaalsContact N-O 3.08Å; T457-P519 PolarHBondContact OG1-O 3.19Å; P519-D524 HydrophobicContact CB-CB 4.13Å; P519-V525 HydrophobicContact CB-CG2 3.63Å; P519-V525 HydrophobicContact CG-CG2 3.89Å
520D66.4Low70.9Confident84 Ų8462.1 Ų62.145%0.44936%0.358SS..  trans-92-35.6178-83.2-28.5000111.2T457 I458 L518 D524T457-D520 PolarHBondContact OG1-OD1 3.07Å; I458-D520 WeakPolarHBondContact CD1-O 3.43Å; I458-D520 WeakPolarHBondContact CG1-O 3.37Å; L518-D520 PolarHBondContact O-N 2.02Å; D520-D524 PolarHBondContact N-OD2 2.97Å
521T73Confident68.7Low55 Ų5565.6 Ų65.634%0.33739%0.394SS..SBendtrans-115.1161.2-179.670.90000112.9I458 Q523 D524I458-T521 HydrophobicContact CD1-CG2 4.3Å; T521-Q523 PolarHBondContact O-N 3.11Å; T521-D524 PolarHBondContact N-OD2 3.15Å; T521-D524 PolarHBondContact O-N 3.18Å; T521-D524 PolarHBondContact OG1-N 3.32Å; T521-D524 PolarHBondContact OG1-OD1 2.96Å; T521-D524 PolarHBondContact OG1-OD2 2.87Å
522I73Confident66.4Low37 Ų3770.5 Ų70.519%0.1941%0.409CS..Hα-helixtrans-62.8-34.3173.9-62.2170.6000110.4D334 T338 M341 P456 I459 V525 E526D334-I522 HydrophobicContact CB-CD1 4.39Å; T338-I522 HydrophobicContact CG2-CG2 4.08Å; M341-I522 HydrophobicContact CG-CG2 4.09Å; P456-I522 HydrophobicContact CG-CG1 4.25Å; I459-I522 HydrophobicContact CD1-CD1 4.15Å; I459-I522 HydrophobicContact CD1-CG1 3.99Å; I459-I522 HydrophobicContact CG1-CG1 4.44Å; I522-V525 WeakPolarHBondContact O-CB 3.35Å; I522-V525 PolarHBondContact O-N 2.97Å; I522-E526 PolarHBondContact O-N 3.44Å; I522-E526 VanDerWaalsContact O-N 3.16Å
523Q67.6Low63.8Low133 Ų13374 Ų7462%0.62144%0.435SS*.Hα-helixtrans-69.1-34.7-179.3-153.3160-4.200111.8T521 V525 E526 D527T521-Q523 PolarHBondContact O-N 3.11Å; Q523-V525 PolarHBondContact O-N 2.85Å; Q523-E526 WeakPolarHBondContact O-CA 3.33Å; Q523-E526 PolarHBondContact O-N 3.07Å; Q523-D527 PolarHBondContact O-N 3.16Å
524D69.9Low61.4Low55 Ų5577.8 Ų77.829%0.29446%0.461SS..Hα-helixtrans-60.1-35.5171.9-59.1-38.2000112.2P519 D520 T521 R528P519-D524 HydrophobicContact CB-CB 4.13Å; D520-D524 PolarHBondContact N-OD2 2.97Å; T521-D524 PolarHBondContact N-OD2 3.15Å; T521-D524 PolarHBondContact O-N 3.18Å; T521-D524 PolarHBondContact OG1-N 3.32Å; T521-D524 PolarHBondContact OG1-OD1 2.96Å; T521-D524 PolarHBondContact OG1-OD2 2.87Å; D524-R528 WeakPolarHBondContact O-CG 3.42Å; D524-R528 PolarHBondContact O-N 3.41Å; D524-R528 VanDerWaalsContact O-N 3.09Å
525V74.6Confident59.3Low15 Ų1584.2 Ų84.29%0.09149%0.486CS..Hα-helixtrans-70.6-35.7175.3-175.20000111M341 P456 P519 I522 Q523M341-V525 HydrophobicContact SD-CB 3.94Å; M341-V525 HydrophobicContact SD-CG1 3.63Å; M341-V525 HydrophobicContact SD-CG2 4.04Å; P456-V525 HydrophobicContact CB-CG2 4.02Å; P456-V525 HydrophobicContact CG-CG2 3.9Å; P519-V525 HydrophobicContact CB-CG2 3.63Å; P519-V525 HydrophobicContact CG-CG2 3.89Å; I522-V525 WeakPolarHBondContact O-CB 3.35Å; I522-V525 PolarHBondContact O-N 2.97Å; Q523-V525 PolarHBondContact O-N 2.85Å
526E73.3Confident57.5Low57 Ų5785.2 Ų85.227%0.26648%0.479SS..Hα-helixtrans-69.4-37.9175.8-66.4-161.7132.900112.5T338 K340 I522 Q523T338-E526 WeakPolarHBondContact CB-OE1 3.38Å; T338-E526 HydrophobicContact CG2-CG 4.48Å; T338-E526 WeakPolarHBondContact CG2-OE1 3.33Å; K340-E526 PolarHBondContact NZ-O 3.24Å; I522-E526 PolarHBondContact O-N 3.44Å; I522-E526 VanDerWaalsContact O-N 3.16Å; Q523-E526 WeakPolarHBondContact O-CA 3.33Å; Q523-E526 PolarHBondContact O-N 3.07Å
527D67.8Low55.6Low56 Ų5688 Ų8830%0.29950%0.498SS..Hα-helixtrans-77.3-24.9-178.7-72.8-29000113.4Q523 G529 S530Q523-D527 PolarHBondContact O-N 3.16Å; D527-G529 PolarHBondContact O-N 3.07Å; D527-S530 PolarHBondContact O-N 3.19Å; D527-S530 PolarHBondContact O-OG 3.09Å; D527-S530 VanDerWaalsContact O-OG 3.06Å
528R66.4Low54Low91 Ų9186 Ų8634%0.34349%0.49SS..THydrogen-bonded Turntrans-53.7-25.7175.2-94.8176.9171.8-150.6-8114.7T516 H517 D524T516-R528 PolarHBondContact OG1-NH2 3.14Å; H517-R528 PolarHBondContact O-NH2 3.16Å; D524-R528 WeakPolarHBondContact O-CG 3.42Å; D524-R528 PolarHBondContact O-N 3.41Å; D524-R528 VanDerWaalsContact O-N 3.09Å
529G50.8Low52.3Low58 Ų5885.2 Ų85.260%0.59849%0.491SS*.THydrogen-bonded Turntrans-104.54.1176.800000115.2K340 D527K340-G529 VanDerWaalsContact NZ-CA 3.33Å; D527-G529 PolarHBondContact O-N 3.07Å
530S45.8Very low50.7Low58 Ų5891.6 Ų91.641%0.40652%0.524SS..THydrogen-bonded Turntrans-102.3-5.2-17773.30000113.8D527 K532D527-S530 PolarHBondContact O-N 3.19Å; D527-S530 PolarHBondContact O-OG 3.09Å; D527-S530 VanDerWaalsContact O-OG 3.06Å; S530-K532 PolarHBondContact O-N 2.92Å; S530-K532 VanDerWaalsContact O-N 3.15Å
531G39.8Very low49.4Very low76 Ų7695.9 Ų95.978%0.78454%0.539SS*.THydrogen-bonded Turntrans67.17.7-178.300000114.2T533G531-T533 PolarHBondContact O-N 2.92Å
532K34.3Very low47.8Very low164 Ų16499 Ų9971%0.71355%0.549SS*.  trans-90.9101.2174.1-72.4-178177.7178.50109.1S530 S534S530-K532 PolarHBondContact O-N 2.92Å; S530-K532 VanDerWaalsContact O-N 3.15Å; K532-S534 PolarHBondContact O-N 2.89Å
533T32.2Very low46.2Very low134 Ų13499.5 Ų99.582%0.82255%0.554SS**  trans-54.5107.716331.60000109.1G531 K535G531-T533 PolarHBondContact O-N 2.92Å; T533-K535 PolarHBondContact O-N 2.91Å
534S31.6Very low44.8Very low84 Ų8499 Ų9959%0.58755%0.553SS**  trans-63.5114.8170.2-175.50000108.6K532 C536K532-S534 PolarHBondContact O-N 2.89Å; S534-C536 VanDerWaalsContact C-N 3.29Å; S534-C536 PolarHBondContact O-N 3.34Å
535K32Very low43.6Very low203 Ų203101.5 Ų101.588%0.88357%0.566SS**  trans-74.482.8171.2-72.2-179.5177.1179.70108.4T533T533-K535 PolarHBondContact O-N 2.91Å
536C26.9Very low41.9Very low106 Ų106105.6 Ų105.672%0.71659%0.586SS**  trans-107.5119.2158.3-114.10000107.9S534 M538S534-C536 VanDerWaalsContact C-N 3.29Å; S534-C536 PolarHBondContact O-N 3.34Å; C536-M538 PolarHBondContact O-N 2.95Å
537P31.6Very low40.2Very low124 Ų124109 Ų10981%0.80560%0.602SS**PPolyproline II helixtrans-66.1131.4-177.626.2-31.1000110
538M32.8Very low38.8Very low117 Ų117111.4 Ų111.458%0.57662%0.615SS**PPolyproline II helixtrans-60.7141.5176.9-71.2-164-71.500111.4C536 I540 T543C536-M538 PolarHBondContact O-N 2.95Å; M538-I540 PolarHBondContact O-N 2.77Å; M538-T543 HydrophobicContact CE-CG2 3.38Å; M538-T543 HydrophobicContact SD-CG2 4.36Å
539P36.8Very low37.6Very low80 Ų80110.7 Ų110.752%0.51962%0.621SS.*PPolyproline II helixtrans-66.9120.6157.826.4-27.7000108.7K541 E542P539-K541 PolarHBondContact O-N 3.18Å; P539-E542 PolarHBondContact O-N 2.72Å
540I38.1Very low36.9Very low137 Ų137115 Ų11570%0.70362%0.623SS**Hα-helixtrans-46.8-23.1-174.9-64.9165.8000114M538M538-I540 PolarHBondContact O-N 2.77Å
541K38.1Very low36.6Very low174 Ų174115.4 Ų115.476%0.75762%0.623SS**Hα-helixtrans-68.9-34.6179.3-116.6179.7178.3-177.70114.5P539 I545P539-K541 PolarHBondContact O-N 3.18Å; K541-I545 WeakPolarHBondContact O-CG1 3.39Å
542E39.8Very low36.5Very low121 Ų121116.4 Ų116.457%0.56561%0.61SS**Hα-helixtrans-80.3-26.4-178.2-73.3179.2164.400112.1P539 I545 L546P539-E542 PolarHBondContact O-N 2.72Å; E542-I545 PolarHBondContact O-N 3.32Å; E542-L546 PolarHBondContact O-N 2.69Å
543T39.1Very low37Very low46 Ų46113.7 Ų113.728%0.28260%0.603SS.*Hα-helixtrans-66.5-39.5175.7-24.70000111.5M538 Q547M538-T543 HydrophobicContact CE-CG2 3.38Å; M538-T543 HydrophobicContact SD-CG2 4.36Å; T543-Q547 WeakPolarHBondContact O-CB 3.48Å; T543-Q547 PolarHBondContact O-N 2.76Å; T543-Q547 VanDerWaalsContact O-N 3.16Å
544M39.4Very low37.7Very low123 Ų123113.4 Ų113.461%0.60660%0.596SS**Hα-helixtrans-67.5-40.1178.4-63.2-176.59100112.1Q547 D548M544-Q547 PolarHBondContact O-N 3.49Å; M544-D548 PolarHBondContact O-N 2.91Å
545I44.7Very low38.3Very low108 Ų108116.5 Ų116.555%0.55460%0.599SS**Hα-helixtrans-66.9-41.3-179.8-61.5167.2000111.4K541 E542 Q547 T549K541-I545 WeakPolarHBondContact O-CG1 3.39Å; E542-I545 PolarHBondContact O-N 3.32Å; I545-Q547 VanDerWaalsContact C-N 3.31Å; I545-Q547 PolarHBondContact O-N 3.13Å; I545-T549 WeakPolarHBondContact O-CB 3.48Å; I545-T549 PolarHBondContact O-N 3.38Å; I545-T549 PolarHBondContact O-OG1 2.8Å
546L38.8Very low38.9Very low101 Ų101114.5 Ų114.553%0.52959%0.592SS.*Hα-helixtrans-66.5-33.2176.5-101.6153.6000112.5E542 K550E542-L546 PolarHBondContact O-N 2.69Å; L546-K550 PolarHBondContact O-N 3.24Å
547Q37.3Very low39.8Very low129 Ų129113.6 Ų113.660%0.60359%0.592SS**Hα-helixtrans-74.4-43178.2-138.6163.9-20.800111.3T543 M544 I545 K550 V551T543-Q547 WeakPolarHBondContact O-CB 3.48Å; T543-Q547 PolarHBondContact O-N 2.76Å; T543-Q547 VanDerWaalsContact O-N 3.16Å; M544-Q547 PolarHBondContact O-N 3.49Å; I545-Q547 VanDerWaalsContact C-N 3.31Å; I545-Q547 PolarHBondContact O-N 3.13Å; Q547-K550 PolarHBondContact O-N 2.97Å; Q547-V551 VanDerWaalsContact O-CG2 3.29Å; Q547-V551 WeakPolarHBondContact O-CG2 3.5Å; Q547-V551 PolarHBondContact O-N 3.46Å
548D37.8Very low40.2Very low106 Ų106114.2 Ų114.257%0.56761%0.608SS**Hα-helixtrans-62.8-43174.9-83.1-20.7000111.8M544 K550 V551 D552M544-D548 PolarHBondContact O-N 2.91Å; D548-K550 VanDerWaalsContact C-N 3.29Å; D548-K550 PolarHBondContact O-N 3.01Å; D548-V551 PolarHBondContact O-N 2.98Å; D548-D552 PolarHBondContact O-N 3.19Å
549T41Very low40.6Very low75 Ų75114.1 Ų114.146%0.4661%0.61SS.*Hα-helixtrans-64.2-34.9178.5-45.50000111.9I545 L553I545-T549 WeakPolarHBondContact O-CB 3.48Å; I545-T549 PolarHBondContact O-N 3.38Å; I545-T549 PolarHBondContact O-OG1 2.8Å; T549-L553 HydrophobicContact CG2-CD1 4.48Å; T549-L553 WeakPolarHBondContact O-CG 3.36Å; T549-L553 PolarHBondContact O-N 2.95Å
550K36.1Very low40.8Very low150 Ų150115.8 Ų115.865%0.65261%0.614SS**Hα-helixtrans-71.6-36.8175.6-111.9-179.4176.1-179.80112.6L546 Q547 D548 L554L546-K550 PolarHBondContact O-N 3.24Å; Q547-K550 PolarHBondContact O-N 2.97Å; D548-K550 VanDerWaalsContact C-N 3.29Å; D548-K550 PolarHBondContact O-N 3.01Å; K550-L554 PolarHBondContact O-N 2.96Å
551V40.3Very low40.9Very low65 Ų65114.7 Ų114.739%0.39461%0.609SS.*Hα-helixtrans-70-38.5178.1171.40000110.9Q547 D548 L554 K555Q547-V551 VanDerWaalsContact O-CG2 3.29Å; Q547-V551 WeakPolarHBondContact O-CG2 3.5Å; Q547-V551 PolarHBondContact O-N 3.46Å; D548-V551 PolarHBondContact O-N 2.98Å; V551-L554 PolarHBondContact O-N 3.11Å; V551-K555 HydrophobicContact CG1-CD 4.46Å; V551-K555 PolarHBondContact O-N 3.46Å
552D37.6Very low41.1Very low98 Ų98111.2 Ų111.252%0.52460%0.601SS.*Hα-helixtrans-68.8-37.9177.1-81.4-17000112.7D548 K555 Q556D548-D552 PolarHBondContact O-N 3.19Å; D552-K555 PolarHBondContact O-N 3.26Å; D552-Q556 WeakPolarHBondContact O-CG 3.43Å; D552-Q556 PolarHBondContact O-N 2.78Å; D552-Q556 VanDerWaalsContact O-N 3.08Å
553L44.3Very low41.2Very low107 Ų107110.6 Ų110.656%0.5660%0.603SS**Hα-helixtrans-67.6-34.2174.8-74.7170000112.8T549 A557T549-L553 HydrophobicContact CG2-CD1 4.48Å; T549-L553 WeakPolarHBondContact O-CG 3.36Å; T549-L553 PolarHBondContact O-N 2.95Å; L553-A557 WeakPolarHBondContact O-CB 3.31Å; L553-A557 PolarHBondContact O-N 2.84Å
554L47.3Very low41.3Very low127 Ų127114.9 Ų114.967%0.66562%0.624SS**Hα-helixtrans-74.1-31175.4-78.8167.6000112.6K550 V551 A557 A558K550-L554 PolarHBondContact O-N 2.96Å; V551-L554 PolarHBondContact O-N 3.11Å; L554-A557 PolarHBondContact O-N 3.39Å; L554-A558 PolarHBondContact O-N 2.99Å
555K43.8Very low41.4Very low150 Ų150114.3 Ų114.365%0.65263%0.626SS**Hα-helixtrans-75.9-21.2173.9-82-178.6176.9176.20114.2V551 D552V551-K555 HydrophobicContact CG1-CD 4.46Å; V551-K555 PolarHBondContact O-N 3.46Å; D552-K555 PolarHBondContact O-N 3.26Å
556Q45Very low41.2Very low160 Ų160114.8 Ų114.875%0.74863%0.631SS**Hα-helixtrans-86.4-14.8173.4-76.1-179.5-16.800113.2D552D552-Q556 WeakPolarHBondContact O-CG 3.43Å; D552-Q556 PolarHBondContact O-N 2.78Å; D552-Q556 VanDerWaalsContact O-N 3.08Å
557A46.3Very low41.4Very low87 Ų87115.9 Ų115.972%0.71964%0.64SS**  trans-99.7-6.4179.200000114L553 L554L553-A557 WeakPolarHBondContact O-CB 3.31Å; L553-A557 PolarHBondContact O-N 2.84Å; L554-A557 PolarHBondContact O-N 3.39Å
558A40Very low41.8Very low137 Ų137114.7 Ų114.7100%1.13264%0.643SS**  trans-109.70171.500000109.1L554L554-A558 PolarHBondContact O-N 2.99Å

Retrieved 558 of 558 residues in 238.8 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).