A0A096NBN8_PAPAN Loading...

Solute carrier family 22 member 6

AlphaFold DB (A0A2K5YHU9), UniProt , Accession A0A096NBN8, Species PAPAN (Papio anubis, Olive baboon), Gene SLC22A6, Length 563 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.5Low78.2Confident179 Ų17947 Ų4788%0.88225%0.251SS*.  0-41.50-71.3-167.3-164.600110.4F3 N4 D5 E316M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 3.5Å; M1-F3 VanDerWaalsContact O-N 3.12Å; M1-N4 WeakPolarHBondContact O-CB 3.48Å; M1-N4 PolarHBondContact O-N 3.48Å; M1-D5 PolarHBondContact O-N 2.73Å; M1-E316 PolarHBondContact N-OE1 3.13Å
2A74.6Confident78.7Confident27 Ų2743.9 Ų43.922%0.22324%0.238CC..Hα-helixtrans-49.5-39.8-179.400000116N4 D5 L6 S312A2-N4 VanDerWaalsContact C-N 3.32Å; A2-N4 PolarHBondContact O-N 3.42Å; A2-D5 PolarHBondContact O-N 3.37Å; A2-L6 WeakPolarHBondContact O-CG 3.38Å; A2-L6 PolarHBondContact O-N 3.34Å; A2-S312 WeakPolarHBondContact CB-O 3.36Å
3F76.1Confident79.1Confident4 Ų445.5 Ų45.52%0.01825%0.25CC..Hα-helixtrans-66.9-31.9178.1-170-94.7000113.5M1 D5 L6 L7 A272 R273 L313M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 3.5Å; M1-F3 VanDerWaalsContact O-N 3.12Å; F3-D5 VanDerWaalsContact C-N 3.31Å; F3-L6 PolarHBondContact O-N 3.25Å; F3-L7 HydrophobicContact CD1-CD1 3.99Å; F3-L7 HydrophobicContact CD1-CG 4.24Å; F3-L7 HydrophobicContact CE1-CD1 3.7Å; F3-L7 HydrophobicContact CE1-CD2 4.31Å; F3-L7 HydrophobicContact CE1-CG 3.89Å; F3-L7 PolarHBondContact O-N 3.38Å; F3-L7 VanDerWaalsContact O-N 3.14Å; F3-A272 HydrophobicContact CE2-CB 4.17Å; F3-A272 HydrophobicContact CZ-CB 3.8Å; F3-R273 HydrophobicContact CD1-CB 4.33Å; F3-R273 HydrophobicContact CD1-CG 4.29Å; F3-R273 HydrophobicContact CE1-CB 3.82Å; F3-R273 HydrophobicContact CE1-CG 4.29Å; F3-R273 HydrophobicContact CE2-CB 4.27Å; F3-R273 HydrophobicContact CG-CG 4.49Å; F3-R273 HydrophobicContact CZ-CB 3.8Å; F3-R273 HydrophobicContact CZ-CG 4.5Å; F3-L313 HydrophobicContact CD2-CD2 4.39Å
4N80Confident79.6Confident19 Ų1943.2 Ų43.210%0.10224%0.242CC..Hα-helixtrans-67.5-36.2175.9177.279.5000111.2M1 A2 L7 Q8 P215 I216M1-N4 WeakPolarHBondContact O-CB 3.48Å; M1-N4 PolarHBondContact O-N 3.48Å; A2-N4 VanDerWaalsContact C-N 3.32Å; A2-N4 PolarHBondContact O-N 3.42Å; N4-L7 WeakPolarHBondContact O-CB 3.39Å; N4-L7 PolarHBondContact O-N 3.18Å; N4-Q8 WeakPolarHBondContact O-CG 3.5Å; N4-Q8 PolarHBondContact O-N 2.83Å; N4-P215 WeakPolarHBondContact OD1-CA 3.43Å; N4-I216 HydrophobicContact CB-CD1 3.72Å; N4-I216 HydrophobicContact CB-CG1 4.12Å; N4-I216 WeakPolarHBondContact OD1-CG1 2.91Å; N4-I216 PolarHBondContact OD1-N 2.86Å
5D82.2Confident80.3Confident74 Ų7452.5 Ų52.540%0.39627%0.272SS..Hα-helixtrans-68.6-38.9179.5-51.5-28.2000110.4M1 A2 F3 L7 Q8 Q9M1-D5 PolarHBondContact O-N 2.73Å; A2-D5 PolarHBondContact O-N 3.37Å; F3-D5 VanDerWaalsContact C-N 3.31Å; D5-L7 PolarHBondContact O-N 3.31Å; D5-Q8 PolarHBondContact O-N 3.47Å; D5-Q9 WeakPolarHBondContact O-CG 3.47Å; D5-Q9 PolarHBondContact O-N 3.1Å
6L82.3Confident80.9Confident4 Ų450 Ų502%0.02126%0.258CS..Hα-helixtrans-60-42.5170.9-66172.8000112.1A2 F3 Q8 Q9 V10 L304 L309A2-L6 WeakPolarHBondContact O-CG 3.38Å; A2-L6 PolarHBondContact O-N 3.34Å; F3-L6 PolarHBondContact O-N 3.25Å; L6-Q8 VanDerWaalsContact C-N 3.34Å; L6-Q8 PolarHBondContact O-N 3Å; L6-Q9 PolarHBondContact O-N 3.37Å; L6-V10 WeakPolarHBondContact O-CB 3.47Å; L6-V10 VanDerWaalsContact O-CG2 3.25Å; L6-V10 WeakPolarHBondContact O-CG2 3.45Å; L6-V10 PolarHBondContact O-N 3.39Å; L6-V10 VanDerWaalsContact O-N 3.11Å; L6-L304 HydrophobicContact CD2-CD2 3.63Å; L6-L309 HydrophobicContact CD1-CD1 3.81Å
7L83.1Confident81.4Confident0 Ų047.1 Ų47.10%024%0.243CC..Hα-helixtrans-64.5-37.8175.6-75.6175.1000112.3F3 N4 D5 V10 G11 G12 W213 L288F3-L7 HydrophobicContact CD1-CD1 3.99Å; F3-L7 HydrophobicContact CD1-CG 4.24Å; F3-L7 HydrophobicContact CE1-CD1 3.7Å; F3-L7 HydrophobicContact CE1-CD2 4.31Å; F3-L7 HydrophobicContact CE1-CG 3.89Å; F3-L7 PolarHBondContact O-N 3.38Å; F3-L7 VanDerWaalsContact O-N 3.14Å; N4-L7 WeakPolarHBondContact O-CB 3.39Å; N4-L7 PolarHBondContact O-N 3.18Å; D5-L7 PolarHBondContact O-N 3.31Å; L7-V10 PolarHBondContact O-N 3.38Å; L7-G11 PolarHBondContact O-N 2.94Å; L7-G12 PolarHBondContact O-N 2.96Å; L7-W213 HydrophobicContact CD2-CE3 3.87Å; L7-W213 HydrophobicContact CD2-CZ3 4.07Å; L7-L288 HydrophobicContact CD2-CD2 4.45Å
8Q82.8Confident81.9Confident94 Ų9450.9 Ų50.944%0.43926%0.26SS..Hα-helixtrans-66-43176-74.2-177.5-9.600111.8N4 D5 L6 V10 G11N4-Q8 WeakPolarHBondContact O-CG 3.5Å; N4-Q8 PolarHBondContact O-N 2.83Å; D5-Q8 PolarHBondContact O-N 3.47Å; L6-Q8 VanDerWaalsContact C-N 3.34Å; L6-Q8 PolarHBondContact O-N 3Å; Q8-V10 VanDerWaalsContact C-N 3.26Å; Q8-V10 PolarHBondContact O-N 3.37Å; Q8-G11 PolarHBondContact O-N 3.06Å; Q8-G11 VanDerWaalsContact O-N 3.1Å
9Q81.7Confident82.4Confident92 Ų9253.5 Ų53.543%0.4327%0.273SS..Hα-helixtrans-58.8-38.3174.9-73.4174-5.200112.3D5 L6 G11D5-Q9 WeakPolarHBondContact O-CG 3.47Å; D5-Q9 PolarHBondContact O-N 3.1Å; L6-Q9 PolarHBondContact O-N 3.37Å; Q9-G11 PolarHBondContact O-N 3.08Å
10V81.5Confident82.7Confident0 Ų051.3 Ų51.30%026%0.262CS..THydrogen-bonded Turntrans-79.44.1-179.31720000113.2L6 L7 Q8 V291 A292 N295 L304L6-V10 WeakPolarHBondContact O-CB 3.47Å; L6-V10 VanDerWaalsContact O-CG2 3.25Å; L6-V10 WeakPolarHBondContact O-CG2 3.45Å; L6-V10 PolarHBondContact O-N 3.39Å; L6-V10 VanDerWaalsContact O-N 3.11Å; L7-V10 PolarHBondContact O-N 3.38Å; Q8-V10 VanDerWaalsContact C-N 3.26Å; Q8-V10 PolarHBondContact O-N 3.37Å; V10-V291 HydrophobicContact CG1-CB 3.97Å; V10-V291 HydrophobicContact CG1-CG1 3.66Å; V10-A292 HydrophobicContact CB-CB 4.48Å; V10-A292 HydrophobicContact CG1-CB 3.81Å; V10-A292 HydrophobicContact CG2-CB 4.32Å; V10-N295 WeakPolarHBondContact O-CB 3.33Å; V10-N295 PolarHBondContact O-ND2 3.34Å; V10-L304 HydrophobicContact CG2-CD1 3.62Å
11G77.9Confident83Confident24 Ų2449.4 Ų49.425%0.24725%0.253CS..THydrogen-bonded Turntrans115.27.2170.800000115.6L7 Q8 Q9 V13 G14L7-G11 PolarHBondContact O-N 2.94Å; Q8-G11 PolarHBondContact O-N 3.06Å; Q8-G11 VanDerWaalsContact O-N 3.1Å; Q9-G11 PolarHBondContact O-N 3.08Å; G11-V13 PolarHBondContact O-N 3.33Å; G11-G14 PolarHBondContact O-N 2.94Å
12G84.2Confident84.5Confident10 Ų1045.4 Ų45.410%0.10324%0.239CC..SBendtrans59.6-117.6173.400000112.6L7 G14 Q17L7-G12 PolarHBondContact O-N 2.96Å; G12-G14 VanDerWaalsContact C-N 3.34Å; G12-G14 PolarHBondContact O-N 2.9Å; G12-Q17 WeakPolarHBondContact O-CG 3.25Å; G12-Q17 PolarHBondContact O-NE2 2.87Å; G12-Q17 PolarHBondContact O-OE1 3.21Å
13V83.8Confident85.3Confident64 Ų6447 Ų4739%0.38824%0.243SC..SBendtrans-91.669.8173.6-170.10000109.5G11 Q17 P215 T218G11-V13 PolarHBondContact O-N 3.33Å; V13-Q17 HydrophobicContact CG1-CB 4.48Å; V13-P215 HydrophobicContact CG2-CG 4.12Å; V13-T218 HydrophobicContact CG2-CG2 3.65Å
14G86.4Confident86Confident14 Ų1446.9 Ų46.914%0.14424%0.242CC..  trans-86.3-171.9179.100000113.7G11 G12 F16 Q17 Q18 N295G11-G14 PolarHBondContact O-N 2.94Å; G12-G14 VanDerWaalsContact C-N 3.34Å; G12-G14 PolarHBondContact O-N 2.9Å; G14-F16 VanDerWaalsContact C-N 3.28Å; G14-F16 PolarHBondContact O-N 3.44Å; G14-Q17 VanDerWaalsContact N-OE1 3.11Å; G14-Q17 PolarHBondContact O-N 3.43Å; G14-Q18 PolarHBondContact O-N 3.18Å; G14-Q18 VanDerWaalsContact O-N 3.15Å; G14-N295 WeakPolarHBondContact CA-OD1 3.42Å
15R89.5Confident86.4Confident183 Ų18346.5 Ų46.569%0.69124%0.241SC*.Hα-helixtrans-58.4-39.2179.3-68.8-177177.5179-1112.5Q18 I19 N295R15-Q18 PolarHBondContact O-N 3.23Å; R15-I19 WeakPolarHBondContact O-CB 3.39Å; R15-I19 WeakPolarHBondContact O-CD1 3.46Å; R15-I19 VanDerWaalsContact O-CG1 3.24Å; R15-I19 WeakPolarHBondContact O-CG1 3.43Å; R15-I19 PolarHBondContact O-N 3.26Å; R15-N295 PolarHBondContact N-OD1 2.69Å; R15-N295 VanDerWaalsContact N-OD1 3.12Å
16F90.4Very high86.8Confident12 Ų1246.8 Ų46.85%0.05324%0.242CC..Hα-helixtrans-60.3-48.4177.4168.8-102.2000111.6G14 Q18 I19 Q20 W213 I269 V291 I294 N295G14-F16 VanDerWaalsContact C-N 3.28Å; G14-F16 PolarHBondContact O-N 3.44Å; F16-Q18 VanDerWaalsContact C-N 3.34Å; F16-Q18 PolarHBondContact O-N 3.14Å; F16-I19 PolarHBondContact O-N 2.73Å; F16-Q20 HydrophobicContact CE2-CB 4.44Å; F16-Q20 HydrophobicContact CZ-CB 4.41Å; F16-Q20 VanDerWaalsContact O-CB 3.3Å; F16-Q20 WeakPolarHBondContact O-CB 3.4Å; F16-Q20 PolarHBondContact O-N 3.49Å; F16-W213 AromaticContact CE1-CD2 3.7Å; F16-W213 HydrophobicContact CE1-CD2 3.7Å; F16-W213 AromaticContact CE1-CE3 3.69Å; F16-W213 HydrophobicContact CE1-CE3 3.69Å; F16-W213 HydrophobicContact CE1-CG 4.14Å; F16-W213 HydrophobicContact CE1-CH2 4.49Å; F16-W213 HydrophobicContact CE1-CZ3 4.11Å; F16-W213 HydrophobicContact CZ-CD2 4.19Å; F16-W213 HydrophobicContact CZ-CE3 4.47Å; F16-W213 HydrophobicContact CZ-CZ2 4.4Å; F16-I269 HydrophobicContact CD2-CD1 4.12Å; F16-I269 HydrophobicContact CE2-CB 4.11Å; F16-I269 HydrophobicContact CE2-CD1 3.31Å; F16-I269 HydrophobicContact CE2-CG1 3.71Å; F16-I269 HydrophobicContact CZ-CB 3.94Å; F16-I269 HydrophobicContact CZ-CD1 3.82Å; F16-I269 HydrophobicContact CZ-CG1 4.08Å; F16-V291 HydrophobicContact CB-CG1 4.05Å; F16-V291 HydrophobicContact CD1-CB 4.12Å; F16-V291 HydrophobicContact CD1-CG1 3.38Å; F16-V291 HydrophobicContact CD1-CG2 3.6Å; F16-V291 HydrophobicContact CD2-CG2 4.14Å; F16-V291 HydrophobicContact CE1-CB 4.37Å; F16-V291 HydrophobicContact CE1-CG1 3.97Å; F16-V291 HydrophobicContact CE1-CG2 3.42Å; F16-V291 VanDerWaalsContact CE1-CG2 3.42Å; F16-V291 HydrophobicContact CE2-CG2 4.01Å; F16-V291 HydrophobicContact CG-CB 4.37Å; F16-V291 HydrophobicContact CG-CG1 3.81Å; F16-V291 HydrophobicContact CG-CG2 3.93Å; F16-V291 HydrophobicContact CZ-CG2 3.6Å; F16-I294 HydrophobicContact CB-CB 4.13Å; F16-I294 HydrophobicContact CB-CG2 3.72Å; F16-I294 HydrophobicContact CD2-CD1 3.91Å; F16-N295 WeakPolarHBondContact CB-OD1 3.29Å; F16-N295 PolarHBondContact N-OD1 3.04Å
17Q89.7Confident87.1Confident0 Ų046.6 Ų46.60%024%0.241CC..Hα-helixtrans-60.5-44.8-179.2-76.680.72.300111.1G12 V13 G14 V21 M214 N295G12-Q17 WeakPolarHBondContact O-CG 3.25Å; G12-Q17 PolarHBondContact O-NE2 2.87Å; G12-Q17 PolarHBondContact O-OE1 3.21Å; V13-Q17 HydrophobicContact CG1-CB 4.48Å; G14-Q17 VanDerWaalsContact N-OE1 3.11Å; G14-Q17 PolarHBondContact O-N 3.43Å; Q17-V21 VanDerWaalsContact O-CB 3.32Å; Q17-V21 WeakPolarHBondContact O-CB 3.32Å; Q17-V21 WeakPolarHBondContact O-CG2 3.4Å; Q17-V21 PolarHBondContact O-N 3.2Å; Q17-M214 HydrophobicContact CB-CE 3.45Å; Q17-M214 VanDerWaalsContact CB-CE 3.45Å; Q17-M214 HydrophobicContact CB-SD 4.19Å; Q17-M214 HydrophobicContact CG-CE 3.38Å; Q17-M214 HydrophobicContact CG-SD 4.31Å; Q17-N295 PolarHBondContact OE1-ND2 2.98Å; Q17-N295 PolarHBondContact OE1-OD1 3.46Å
18Q89.3Confident87.3Confident117 Ų11746.7 Ų46.755%0.54724%0.242SC..Hα-helixtrans-62.1-50.5177-69177.5-15.800111.8G14 R15 F16 Q20 V21 T22G14-Q18 PolarHBondContact O-N 3.18Å; G14-Q18 VanDerWaalsContact O-N 3.15Å; R15-Q18 PolarHBondContact O-N 3.23Å; F16-Q18 VanDerWaalsContact C-N 3.34Å; F16-Q18 PolarHBondContact O-N 3.14Å; Q18-Q20 PolarHBondContact O-N 3.48Å; Q18-V21 PolarHBondContact O-N 3.19Å; Q18-T22 PolarHBondContact O-N 2.94Å; Q18-T22 PolarHBondContact O-OG1 3.4Å
19I90.9Very high87.6Confident99 Ų9943.9 Ų43.951%0.50823%0.229SC..Hα-helixtrans-60.2-47.1179.5-67.9165.7000110.7R15 F16 T22 L23R15-I19 WeakPolarHBondContact O-CB 3.39Å; R15-I19 WeakPolarHBondContact O-CD1 3.46Å; R15-I19 VanDerWaalsContact O-CG1 3.24Å; R15-I19 WeakPolarHBondContact O-CG1 3.43Å; R15-I19 PolarHBondContact O-N 3.26Å; F16-I19 PolarHBondContact O-N 2.73Å; I19-T22 PolarHBondContact O-N 3.43Å; I19-L23 HydrophobicContact CG2-CD1 3.73Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.11Å
20Q89.4Confident87.9Confident9 Ų940.8 Ų40.84%0.04222%0.216CC..Hα-helixtrans-64.9-44.6-179.2179.4148.8-33.500111.6F16 Q18 T22 L23 V24F16-Q20 HydrophobicContact CE2-CB 4.44Å; F16-Q20 HydrophobicContact CZ-CB 4.41Å; F16-Q20 VanDerWaalsContact O-CB 3.3Å; F16-Q20 WeakPolarHBondContact O-CB 3.4Å; F16-Q20 PolarHBondContact O-N 3.49Å; Q18-Q20 PolarHBondContact O-N 3.48Å; Q20-T22 PolarHBondContact O-N 3.01Å; Q20-L23 PolarHBondContact O-N 3.15Å; Q20-V24 HydrophobicContact CG-CG2 4.07Å; Q20-V24 WeakPolarHBondContact O-CB 3.48Å; Q20-V24 WeakPolarHBondContact O-CG2 3.48Å; Q20-V24 PolarHBondContact O-N 3.21Å
21V89.7Confident88.1Confident13 Ų1341.8 Ų41.88%0.07922%0.221CC..Hα-helixtrans-59.6-50176.91700000110.4Q17 Q18 L23 V24 V25 N210 M214 V222Q17-V21 VanDerWaalsContact O-CB 3.32Å; Q17-V21 WeakPolarHBondContact O-CB 3.32Å; Q17-V21 WeakPolarHBondContact O-CG2 3.4Å; Q17-V21 PolarHBondContact O-N 3.2Å; Q18-V21 PolarHBondContact O-N 3.19Å; V21-L23 PolarHBondContact O-N 3.33Å; V21-V24 PolarHBondContact O-N 3.28Å; V21-V25 HydrophobicContact CG1-CG2 3.97Å; V21-V25 WeakPolarHBondContact O-CB 3.2Å; V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.37Å; V21-N210 WeakPolarHBondContact CA-OD1 3.46Å; V21-N210 WeakPolarHBondContact CG2-OD1 3.43Å; V21-M214 HydrophobicContact CG2-CE 3.72Å; V21-M214 HydrophobicContact CG2-SD 4.03Å; V21-V222 HydrophobicContact CG1-CG1 4.21Å; V21-V222 HydrophobicContact CG2-CG1 4.41Å
22T90.1Very high88.2Confident95 Ų9540.7 Ų40.758%0.58321%0.209SC*.Hα-helixtrans-58.4-46.3179.4-58.20000112.1Q18 I19 Q20 V24 V25 L26Q18-T22 PolarHBondContact O-N 2.94Å; Q18-T22 PolarHBondContact O-OG1 3.4Å; I19-T22 PolarHBondContact O-N 3.43Å; Q20-T22 PolarHBondContact O-N 3.01Å; T22-V24 PolarHBondContact O-N 2.94Å; T22-V25 PolarHBondContact O-N 3.4Å; T22-L26 WeakPolarHBondContact O-CB 3.45Å; T22-L26 PolarHBondContact O-N 3.02Å
23L90.9Very high88.4Confident61 Ų6140.3 Ų40.332%0.31921%0.205SC..Hα-helixtrans-69.7-32-177.9-69.1174.6000113.8I19 Q20 V21 P27 Y264 F268I19-L23 HydrophobicContact CG2-CD1 3.73Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.11Å; Q20-L23 PolarHBondContact O-N 3.15Å; V21-L23 PolarHBondContact O-N 3.33Å; L23-P27 VanDerWaalsContact O-CD 3.28Å; L23-P27 WeakPolarHBondContact O-CD 3.47Å; L23-Y264 HydrophobicContact CB-CE2 4.15Å; L23-Y264 HydrophobicContact CD2-CE2 4.35Å; L23-Y264 PolarHBondContact O-OH 3.08Å; L23-F268 HydrophobicContact CB-CE1 3.85Å; L23-F268 HydrophobicContact CB-CZ 4.46Å
24V89.6Confident88.5Confident0 Ų037.3 Ų37.30%019%0.186CC..Hα-helixtrans-81.6-28.8178.2177.50000111.3Q20 V21 T22 P27 C206 L209 N210 F268Q20-V24 HydrophobicContact CG-CG2 4.07Å; Q20-V24 WeakPolarHBondContact O-CB 3.48Å; Q20-V24 WeakPolarHBondContact O-CG2 3.48Å; Q20-V24 PolarHBondContact O-N 3.21Å; V21-V24 PolarHBondContact O-N 3.28Å; T22-V24 PolarHBondContact O-N 2.94Å; V24-P27 WeakPolarHBondContact O-CD 3.48Å; V24-C206 HydrophobicContact CG1-CB 3.6Å; V24-L209 HydrophobicContact CG2-CD2 4.3Å; V24-N210 WeakPolarHBondContact CG1-ND2 3.35Å; V24-F268 HydrophobicContact CB-CZ 4.48Å; V24-F268 HydrophobicContact CG2-CD1 4.45Å; V24-F268 HydrophobicContact CG2-CD2 4.32Å; V24-F268 HydrophobicContact CG2-CE1 4Å; V24-F268 HydrophobicContact CG2-CE2 3.84Å; V24-F268 HydrophobicContact CG2-CZ 3.65Å
25V88.6Confident88.6Confident12 Ų1237 Ų377%0.07318%0.182CC..Hα-helixtrans-79.8-34178.9169.10000112.2V21 T22 L28 I226 V229V21-V25 HydrophobicContact CG1-CG2 3.97Å; V21-V25 WeakPolarHBondContact O-CB 3.2Å; V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.37Å; T22-V25 PolarHBondContact O-N 3.4Å; V25-L28 WeakPolarHBondContact O-CB 3.47Å; V25-L28 PolarHBondContact O-N 3.41Å; V25-I226 HydrophobicContact CG2-CD1 4.43Å; V25-I226 HydrophobicContact CG2-CG1 3.76Å; V25-V229 HydrophobicContact CG1-CB 3.87Å; V25-V229 HydrophobicContact CG1-CG1 3.65Å; V25-V229 HydrophobicContact CG1-CG2 3.44Å; V25-V229 VanDerWaalsContact CG1-CG2 3.44Å
26L90Very high88.4Confident79 Ų7928.3 Ų28.341%0.41415%0.149SC..Hα-helixtrans-51.8-45.5-178-178.974.9000113.8T22 L28 L29 F261T22-L26 WeakPolarHBondContact O-CB 3.45Å; T22-L26 PolarHBondContact O-N 3.02Å; L26-L28 PolarHBondContact O-N 3.34Å; L26-L29 HydrophobicContact CD1-CD1 3.92Å; L26-L29 WeakPolarHBondContact O-CB 3.35Å; L26-L29 PolarHBondContact O-N 3.38Å; L26-F261 HydrophobicContact CD2-CE1 4.15Å; L26-F261 HydrophobicContact CG-CE1 4.42Å
27P90.3Very high88.4Confident0 Ų027.8 Ų27.80%015%0.146CC..Hα-helixtrans-62.4-22.2176.5-27.138.6000114.9L23 V24 L29 L30 M31 Y169 F261 Y264L23-P27 VanDerWaalsContact O-CD 3.28Å; L23-P27 WeakPolarHBondContact O-CD 3.47Å; V24-P27 WeakPolarHBondContact O-CD 3.48Å; P27-L29 PolarHBondContact O-N 3.12Å; P27-L30 PolarHBondContact O-N 2.94Å; P27-M31 PolarHBondContact O-N 3.4Å; P27-M31 VanDerWaalsContact O-N 3.14Å; P27-Y169 HydrophobicContact CB-CE1 3.86Å; P27-Y169 HydrophobicContact CG-CE1 4.16Å; P27-F261 VanDerWaalsContact CA-CE2 3.46Å; P27-F261 HydrophobicContact CB-CD2 3.53Å; P27-F261 HydrophobicContact CB-CE2 3.64Å; P27-F261 HydrophobicContact CB-CG 4.16Å; P27-F261 HydrophobicContact CB-CZ 4.32Å; P27-F261 HydrophobicContact CG-CB 4.26Å; P27-F261 HydrophobicContact CG-CD1 4.18Å; P27-F261 HydrophobicContact CG-CD2 3.68Å; P27-F261 HydrophobicContact CG-CE1 4.38Å; P27-F261 HydrophobicContact CG-CE2 3.95Å; P27-F261 HydrophobicContact CG-CG 3.79Å; P27-F261 HydrophobicContact CG-CZ 4.27Å; P27-Y264 WeakPolarHBondContact CD-OH 3.44Å; P27-Y264 WeakPolarHBondContact CG-OH 3.44Å
28L87.6Confident88.4Confident3 Ų328 Ų282%0.01615%0.147CC..Hα-helixtrans-70.1-19.3179.7-54.7177.6000112.3V25 L26 M31 I202 C206 I226 V229V25-L28 WeakPolarHBondContact O-CB 3.47Å; V25-L28 PolarHBondContact O-N 3.41Å; L26-L28 PolarHBondContact O-N 3.34Å; L28-M31 HydrophobicContact CD2-CE 3.79Å; L28-M31 HydrophobicContact CD2-SD 3.77Å; L28-M31 WeakPolarHBondContact O-CB 3.37Å; L28-M31 PolarHBondContact O-N 2.89Å; L28-I202 HydrophobicContact CD2-CG2 4.27Å; L28-C206 HydrophobicContact CD1-CB 4.4Å; L28-C206 HydrophobicContact CD2-CB 4.08Å; L28-I226 HydrophobicContact CD1-CB 4.41Å; L28-I226 HydrophobicContact CD1-CG1 4.11Å; L28-I226 HydrophobicContact CD1-CG2 3.65Å; L28-V229 HydrophobicContact CB-CG1 4.29Å
29L87.2Confident88.4Confident35 Ų3522.6 Ų22.618%0.18312%0.122CC..Hα-helixtrans-60.4-50.4169.6-69.6170000110.7L26 P27 M31 V229 L232 G233L26-L29 HydrophobicContact CD1-CD1 3.92Å; L26-L29 WeakPolarHBondContact O-CB 3.35Å; L26-L29 PolarHBondContact O-N 3.38Å; P27-L29 PolarHBondContact O-N 3.12Å; L29-M31 VanDerWaalsContact C-N 3.27Å; L29-M31 PolarHBondContact O-N 2.84Å; L29-V229 HydrophobicContact CD2-CB 4.48Å; L29-V229 HydrophobicContact CD2-CG1 3.52Å; L29-V229 WeakPolarHBondContact CD2-O 3.31Å; L29-V229 HydrophobicContact CG-CG1 3.62Å; L29-L232 HydrophobicContact CD2-CB 4.05Å; L29-L232 HydrophobicContact CD2-CD2 3.97Å; L29-L232 HydrophobicContact CD2-CG 4.04Å; L29-G233 WeakPolarHBondContact O-CA 3.28Å
30L88.7Confident88.4Confident27 Ų2718.1 Ų18.114%0.14110%0.099CC..Hα-helixtrans-78-15.2-179.1-63-178.4000112.9P27 S33 H34 L236 P257 F258 F261P27-L30 PolarHBondContact O-N 2.94Å; L30-S33 VanDerWaalsContact O-CB 3.3Å; L30-S33 WeakPolarHBondContact O-CB 3.03Å; L30-S33 PolarHBondContact O-N 3.42Å; L30-H34 PolarHBondContact O-N 3.43Å; L30-L236 HydrophobicContact CD2-CD2 4.46Å; L30-P257 HydrophobicContact CD1-CB 3.4Å; L30-P257 HydrophobicContact CD1-CG 3.73Å; L30-F258 HydrophobicContact CB-CE2 3.75Å; L30-F258 HydrophobicContact CB-CZ 3.98Å; L30-F258 HydrophobicContact CD1-CE2 4.43Å; L30-F261 HydrophobicContact CD1-CE2 3.78Å; L30-F261 HydrophobicContact CD1-CZ 3.85Å; L30-F261 HydrophobicContact CG-CE2 4.47Å
31M85.6Confident88.4Confident21 Ų2117.7 Ų17.710%0.10310%0.097CC..Hα-helixtrans-63.3-43.8173.1-177.7173.181.800112.2P27 L28 L29 S33 H34 N35 L199 A203 Y230P27-M31 PolarHBondContact O-N 3.4Å; P27-M31 VanDerWaalsContact O-N 3.14Å; L28-M31 HydrophobicContact CD2-CE 3.79Å; L28-M31 HydrophobicContact CD2-SD 3.77Å; L28-M31 WeakPolarHBondContact O-CB 3.37Å; L28-M31 PolarHBondContact O-N 2.89Å; L29-M31 VanDerWaalsContact C-N 3.27Å; L29-M31 PolarHBondContact O-N 2.84Å; M31-S33 PolarHBondContact O-N 3.13Å; M31-H34 PolarHBondContact O-N 3.38Å; M31-N35 PolarHBondContact O-N 3.48Å; M31-L199 HydrophobicContact CB-CD1 4.07Å; M31-L199 HydrophobicContact CG-CD1 3.58Å; M31-L199 HydrophobicContact CG-CD2 3.68Å; M31-L199 HydrophobicContact CG-CG 3.54Å; M31-L199 HydrophobicContact SD-CD1 4.44Å; M31-L199 HydrophobicContact SD-CG 4.22Å; M31-A203 HydrophobicContact CE-CB 4Å; M31-A203 HydrophobicContact SD-CB 3.61Å; M31-Y230 HydrophobicContact CE-CD2 3.5Å; M31-Y230 VanDerWaalsContact CE-CD2 3.5Å; M31-Y230 HydrophobicContact CE-CE2 3.6Å; M31-Y230 HydrophobicContact CG-CE2 4.26Å
32A81Confident88.4Confident0 Ų017.1 Ų17.10%09%0.094CC..Hα-helixtrans-60.8-37.5176.100000111.6N35 T36 Y230 Q234A32-N35 PolarHBondContact O-N 3.48Å; A32-T36 PolarHBondContact O-N 3.08Å; A32-T36 PolarHBondContact O-OG1 2.98Å; A32-Y230 VanDerWaalsContact CA-CE2 3.48Å; A32-Y230 HydrophobicContact CB-CD1 4.32Å; A32-Y230 HydrophobicContact CB-CD2 3.79Å; A32-Y230 HydrophobicContact CB-CE1 4.19Å; A32-Y230 HydrophobicContact CB-CE2 3.65Å; A32-Y230 HydrophobicContact CB-CG 4.14Å; A32-Y230 WeakPolarHBondContact CB-O 3.41Å; A32-Q234 HydrophobicContact CB-CG 3.88Å
33S86.8Confident88.3Confident2 Ų212.6 Ų12.61%0.0147%0.066CC..Hα-helixtrans-58.8-51.7176.4-52.40000111.6L30 M31 N35 T36 V37L30-S33 VanDerWaalsContact O-CB 3.3Å; L30-S33 WeakPolarHBondContact O-CB 3.03Å; L30-S33 PolarHBondContact O-N 3.42Å; M31-S33 PolarHBondContact O-N 3.13Å; S33-N35 VanDerWaalsContact C-N 3.26Å; S33-N35 PolarHBondContact O-N 3.32Å; S33-T36 PolarHBondContact O-N 3.1Å; S33-V37 WeakPolarHBondContact O-CA 3.31Å; S33-V37 VanDerWaalsContact O-CB 3.27Å; S33-V37 WeakPolarHBondContact O-CB 3.49Å; S33-V37 PolarHBondContact O-N 3.35Å
34H87.9Confident88.1Confident1 Ų111.1 Ų11.11%0.0056%0.058CC..Hα-helixtrans-59.4-31.6179.4-89.2-74.7000114.8L30 M31 V37 R192 L199 I254 S255 F258L30-H34 PolarHBondContact O-N 3.43Å; M31-H34 PolarHBondContact O-N 3.38Å; H34-V37 WeakPolarHBondContact O-CG1 3.39Å; H34-R192 PolarHBondContact O-NH1 3.2Å; H34-L199 HydrophobicContact CB-CD1 4.49Å; H34-L199 HydrophobicContact CB-CD2 3.87Å; H34-I254 PolarHBondContact NE2-O 3.43Å; H34-S255 PolarHBondContact CE1-OG 3.46Å; H34-S255 VanDerWaalsContact CE1-OG 3.3Å; H34-F258 AromaticContact CD2-CE2 3.48Å; H34-F258 VanDerWaalsContact CD2-CE2 3.48Å; H34-F258 WeakPolarHBondContact CD2-CE2 3.34Å; H34-F258 AromaticContact CD2-CZ 3.97Å; H34-F258 AromaticContact NE2-CD2 3.86Å; H34-F258 AromaticContact NE2-CE2 3.46Å; H34-F258 WeakPolarHBondContact NE2-CE2 3.35Å
35N86.5Confident87.9Confident9 Ų911.6 Ų11.65%0.0486%0.061CC..Hα-helixtrans-73.8-33.4-179.4-162.59.2000112.2M31 A32 S33 Q138 Y141 M142 Y230 Y354M31-N35 PolarHBondContact O-N 3.48Å; A32-N35 PolarHBondContact O-N 3.48Å; S33-N35 VanDerWaalsContact C-N 3.26Å; S33-N35 PolarHBondContact O-N 3.32Å; N35-Q138 PolarHBondContact O-NE2 3.1Å; N35-Y141 WeakPolarHBondContact CA-OH 3.3Å; N35-Y141 WeakPolarHBondContact OD1-CE1 3.49Å; N35-M142 WeakPolarHBondContact OD1-CE 3.3Å; N35-Y230 PolarHBondContact ND2-OH 3.5Å; N35-Y354 PolarHBondContact ND2-OH 2.81Å; N35-Y354 VanDerWaalsContact ND2-OH 3.15Å
36T86.5Confident87.8Confident0 Ų015.2 Ų15.20%08%0.083CC..Hα-helixtrans-111.5-3.9-173.351.20000114.2A32 S33 Q38 N39 L237 V357 Q371A32-T36 PolarHBondContact O-N 3.08Å; A32-T36 PolarHBondContact O-OG1 2.98Å; S33-T36 PolarHBondContact O-N 3.1Å; T36-Q38 PolarHBondContact O-N 3.32Å; T36-Q38 VanDerWaalsContact O-N 3.09Å; T36-N39 VanDerWaalsContact O-CB 3.31Å; T36-N39 WeakPolarHBondContact O-CB 3.32Å; T36-N39 PolarHBondContact O-N 3.26Å; T36-L237 WeakPolarHBondContact OG1-CD2 3.39Å; T36-V357 HydrophobicContact CG2-CG1 3.96Å; T36-Q371 PolarHBondContact OG1-NE2 3.46Å
37V90.9Very high87.7Confident0 Ų012.2 Ų12.20%07%0.067CC..THydrogen-bonded Turntrans-54.6-31.9179.869.90000112.8S33 H34 N39 F40 T41 L250 I254S33-V37 WeakPolarHBondContact O-CA 3.31Å; S33-V37 VanDerWaalsContact O-CB 3.27Å; S33-V37 WeakPolarHBondContact O-CB 3.49Å; S33-V37 PolarHBondContact O-N 3.35Å; H34-V37 WeakPolarHBondContact O-CG1 3.39Å; V37-N39 PolarHBondContact O-N 3.07Å; V37-F40 PolarHBondContact O-N 3.22Å; V37-T41 HydrophobicContact CG2-CG2 3.72Å; V37-T41 PolarHBondContact O-N 3.13Å; V37-T41 PolarHBondContact O-OG1 3.13Å; V37-L250 HydrophobicContact CG2-CD2 4.21Å; V37-L250 HydrophobicContact CG2-CG 4.17Å; V37-I254 HydrophobicContact CB-CD1 4.15Å; V37-I254 HydrophobicContact CG2-CD1 3.51Å
38Q89Confident87.6Confident4 Ų414.3 Ų14.32%0.0198%0.077CC..Hα-helixtrans-64.2-23.4-179-168.6155.4-27.200113.6T36 F40 T41 A42 R134 Q138T36-Q38 PolarHBondContact O-N 3.32Å; T36-Q38 VanDerWaalsContact O-N 3.09Å; Q38-F40 PolarHBondContact O-N 2.87Å; Q38-T41 WeakPolarHBondContact CA-OG1 3.17Å; Q38-A42 HydrophobicContact CG-CB 3.92Å; Q38-A42 VanDerWaalsContact O-CB 3.24Å; Q38-A42 WeakPolarHBondContact O-CB 3.46Å; Q38-A42 PolarHBondContact O-N 3.26Å; Q38-R134 PolarHBondContact NE2-O 2.75Å; Q38-Q138 VanDerWaalsContact NE2-N 3.12Å
39N89Confident87.6Confident4 Ų414.2 Ų14.22%0.0218%0.076CC..Hα-helixtrans-61.4-30173.1-68.6-13.5000112.1T36 V37 V357 L360T36-N39 VanDerWaalsContact O-CB 3.31Å; T36-N39 WeakPolarHBondContact O-CB 3.32Å; T36-N39 PolarHBondContact O-N 3.26Å; V37-N39 PolarHBondContact O-N 3.07Å; N39-V357 PolarHBondContact ND2-O 3.17Å; N39-L360 HydrophobicContact CB-CD1 3.82Å; N39-L360 HydrophobicContact CB-CG 4.45Å; N39-L360 VanDerWaalsContact ND2-CD1 3.29Å; N39-L360 WeakPolarHBondContact ND2-CD1 3.43Å
40F90.6Very high87.6Confident5 Ų518.4 Ų18.42%0.0229%0.09CC..Hα-helixtrans-96.9-47.8178.5-59.2-79.4000111.6V37 Q38 A42 A43 L237 A241 L250 I367 Y368 Q371V37-F40 PolarHBondContact O-N 3.22Å; Q38-F40 PolarHBondContact O-N 2.87Å; F40-A42 PolarHBondContact O-N 3.16Å; F40-A43 WeakPolarHBondContact O-CB 3.45Å; F40-A43 PolarHBondContact O-N 3.3Å; F40-A43 VanDerWaalsContact O-N 3.17Å; F40-L237 HydrophobicContact CD2-CD2 4Å; F40-L237 HydrophobicContact CD2-CG 4.17Å; F40-L237 HydrophobicContact CE2-CD2 3.74Å; F40-L237 HydrophobicContact CE2-CG 3.88Å; F40-A241 HydrophobicContact CB-CB 4.15Å; F40-A241 HydrophobicContact CD1-CB 3.59Å; F40-A241 HydrophobicContact CD2-CB 3.9Å; F40-A241 HydrophobicContact CE1-CB 3.93Å; F40-A241 HydrophobicContact CE2-CB 4.19Å; F40-A241 HydrophobicContact CG-CB 3.59Å; F40-A241 HydrophobicContact CZ-CB 4.2Å; F40-L250 HydrophobicContact CB-CD2 3.85Å; F40-I367 HydrophobicContact CD1-CD1 3.5Å; F40-I367 HydrophobicContact CD1-CG1 4.02Å; F40-I367 HydrophobicContact CE1-CD1 3.91Å; F40-I367 HydrophobicContact CE1-CG1 3.91Å; F40-I367 HydrophobicContact CG-CD1 4.41Å; F40-Y368 AromaticContact CD1-CD1 3.89Å; F40-Y368 HydrophobicContact CD1-CD1 3.89Å; F40-Y368 AromaticContact CD1-CE1 3.6Å; F40-Y368 HydrophobicContact CD1-CE1 3.6Å; F40-Y368 AromaticContact CE1-CD1 3.37Å; F40-Y368 HydrophobicContact CE1-CD1 3.37Å; F40-Y368 AromaticContact CE1-CE1 3.62Å; F40-Y368 HydrophobicContact CE1-CE1 3.62Å; F40-Y368 HydrophobicContact CE1-CG 4.21Å; F40-Y368 HydrophobicContact CZ-CD1 4.32Å; F40-Q371 HydrophobicContact CE2-CB 4.48Å; F40-Q371 HydrophobicContact CE2-CG 4.06Å; F40-Q371 HydrophobicContact CZ-CB 3.79Å; F40-Q371 HydrophobicContact CZ-CG 3.81Å
41T90.9Very high87.4Confident1 Ų117.7 Ų17.71%0.0069%0.087CC..Hα-helixtrans-67.8-24.2-175.861.70000112.7V37 Q38 T119 I120 W247 L250V37-T41 HydrophobicContact CG2-CG2 3.72Å; V37-T41 PolarHBondContact O-N 3.13Å; V37-T41 PolarHBondContact O-OG1 3.13Å; Q38-T41 WeakPolarHBondContact CA-OG1 3.17Å; T41-T119 WeakPolarHBondContact O-CA 3.35Å; T41-T119 VanDerWaalsContact O-CB 3.3Å; T41-T119 WeakPolarHBondContact O-CB 3.17Å; T41-I120 WeakPolarHBondContact O-CG1 3.42Å; T41-I120 PolarHBondContact O-N 2.91Å; T41-W247 HydrophobicContact CG2-CB 3.95Å; T41-L250 HydrophobicContact CG2-CD2 4.15Å
42A88.9Confident87.4Confident0 Ų017.7 Ų17.70%09%0.088CC..THydrogen-bonded Turntrans-110.819.6177.200000113.2Q38 F40 I44 I120 V121 R134Q38-A42 HydrophobicContact CG-CB 3.92Å; Q38-A42 VanDerWaalsContact O-CB 3.24Å; Q38-A42 WeakPolarHBondContact O-CB 3.46Å; Q38-A42 PolarHBondContact O-N 3.26Å; F40-A42 PolarHBondContact O-N 3.16Å; A42-I44 PolarHBondContact O-N 3.08Å; A42-I120 HydrophobicContact CB-CD1 3.53Å; A42-I120 HydrophobicContact CB-CG1 3.64Å; A42-V121 HydrophobicContact CB-CG2 4.33Å; A42-V121 WeakPolarHBondContact O-CG2 3.37Å; A42-R134 HydrophobicContact CB-CG 3.69Å; A42-R134 VanDerWaalsContact O-CD 3.28Å; A42-R134 WeakPolarHBondContact O-CD 3.41Å; A42-R134 PolarHBondContact O-NE 3.41Å; A42-R134 PolarHBondContact O-NH1 2.99Å
43A87.6Confident87.3Confident0 Ų022.7 Ų22.70%013%0.13CC..  trans-55.9133.7171.800000109.8F40 P45 F116 T119 I367F40-A43 WeakPolarHBondContact O-CB 3.45Å; F40-A43 PolarHBondContact O-N 3.3Å; F40-A43 VanDerWaalsContact O-N 3.17Å; A43-P45 VanDerWaalsContact O-CD 3.23Å; A43-P45 WeakPolarHBondContact O-CD 3.24Å; A43-F116 HydrophobicContact CB-CD1 4.31Å; A43-F116 HydrophobicContact CB-CD2 4.09Å; A43-F116 HydrophobicContact CB-CE1 4.11Å; A43-F116 HydrophobicContact CB-CE2 3.88Å; A43-F116 HydrophobicContact CB-CG 4.33Å; A43-F116 HydrophobicContact CB-CZ 3.94Å; A43-T119 HydrophobicContact CB-CG2 4.46Å; A43-T119 WeakPolarHBondContact O-CG2 3.47Å; A43-T119 PolarHBondContact O-OG1 3.13Å; A43-I367 HydrophobicContact CB-CD1 3.99Å
44I86.4Confident87Confident30 Ų3029.4 Ų29.415%0.15417%0.166CC..  trans-90110.2174.4-59.6162.2000107.2A42 V121 V127 R131 Q361A42-I44 PolarHBondContact O-N 3.08Å; I44-V121 HydrophobicContact CG1-CG1 4.23Å; I44-V121 HydrophobicContact CG1-CG2 4.21Å; I44-V127 HydrophobicContact CG2-CG1 4.38Å; I44-R131 HydrophobicContact CD1-CG 4.49Å; I44-Q361 PolarHBondContact O-NE2 3.49Å; I44-Q361 VanDerWaalsContact O-NE2 3.15Å
45P86.6Confident86.5Confident11 Ų1130.6 Ų30.67%0.07118%0.175CC..  trans-71.7162.7167.228.8-29.9000110.2A43 H47 Y111 D112 T122A43-P45 VanDerWaalsContact O-CD 3.23Å; A43-P45 WeakPolarHBondContact O-CD 3.24Å; P45-H47 PolarHBondContact O-N 3.39Å; P45-H47 PolarHBondContact O-ND1 3.2Å; P45-Y111 HydrophobicContact CG-CD1 3.91Å; P45-Y111 HydrophobicContact CG-CG 4.39Å; P45-D112 WeakPolarHBondContact CB-O 3.39Å; P45-T122 HydrophobicContact CG-CG2 3.48Å; P45-T122 VanDerWaalsContact CG-CG2 3.48Å
46T85.8Confident86.1Confident87 Ų8733.8 Ų33.853%0.53419%0.192SC..  trans-57.3133.7169.640.90000109.1D112T46-D112 PolarHBondContact O-N 3.44Å; T46-D112 WeakPolarHBondContact OG1-CB 3.41Å
47H88.1Confident85.7Confident17 Ų1737.8 Ų37.88%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-145153.4-173.559.4-80.2000111.3P45 S77 W109 I110 Y111P45-H47 PolarHBondContact O-N 3.39Å; P45-H47 PolarHBondContact O-ND1 3.2Å; H47-S77 PolarHBondContact CD2-O 3.38Å; H47-S77 WeakPolarHBondContact NE2-CB 2.93Å; H47-S77 VanDerWaalsContact O-CA 3.26Å; H47-S77 WeakPolarHBondContact O-CA 3.32Å; H47-S77 WeakPolarHBondContact O-CB 3.32Å; H47-S77 PolarHBondContact O-OG 3.44Å; H47-S77 VanDerWaalsContact O-OG 3.13Å; H47-W109 AromaticContact CD2-CD1 3.97Å; H47-I110 VanDerWaalsContact CA-O 3.26Å; H47-I110 WeakPolarHBondContact CA-O 3.28Å; H47-Y111 HydrophobicContact CB-CD1 3.44Å; H47-Y111 VanDerWaalsContact CB-CD1 3.44Å; H47-Y111 HydrophobicContact CB-CE1 3.67Å; H47-Y111 HydrophobicContact CB-CG 4.35Å
48H88.7Confident84.7Confident43 Ų4343.3 Ų43.320%0.19925%0.252CS..EExtended strand (participates in β ladder)trans-138.9156.4179.7-57-63.7000109.9L67 P75 W109 I110H48-L67 HydrophobicContact CB-CD1 3.82Å; H48-L67 HydrophobicContact CB-CD2 3.84Å; H48-P75 VanDerWaalsContact CE1-CG 3.49Å; H48-P75 WeakPolarHBondContact CE1-CG 3.44Å; H48-W109 CarbonylContact O-C 3.45Å; H48-W109 WeakPolarHBondContact O-CA 3.38Å; H48-I110 PolarHBondContact N-O 3.28Å; H48-I110 PolarHBondContact O-N 2.9Å
49C87.3Confident83.6Confident1 Ų150.1 Ų50.11%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-61.4140.4174-63.50000110.8L67 L79 R80 C105C49-L67 HydrophobicContact CB-CD2 4.49Å; C49-L79 PolarHBondContact SG-O 2.97Å; C49-L79 VanDerWaalsContact SG-O 3.4Å; C49-R80 HydrophobicContact CB-CB 3.71Å; C49-R80 HydrophobicContact CB-CG 4.19Å; C49-C105 WeakPolarHBondContact CA-SG 3.35Å; C49-C105 HydrophobicContact CB-CB 3.68Å; C49-C105 WeakPolarHBondContact CB-SG 3.33Å; C49-C105 VanDerWaalsContact SG-CA 3.59Å; C49-C105 WeakPolarHBondContact SG-CB 3.43Å; C49-C105 CovalentContact SG-SG 2.01Å; C49-C105 PolarHBondContact SG-SG 3.25Å
50R87.1Confident82.4Confident123 Ų12351.3 Ų51.346%0.46429%0.288SS..PPolyproline II helixtrans-72.9131.5167.5-170.5175.8-68.7142.3-1109.1R80 D107 G108 W109 I110R50-R80 PolarHBondContact O-NH1 2.9Å; R50-D107 WeakPolarHBondContact CD-O 3.37Å; R50-D107 PolarHBondContact NH1-O 3.24Å; R50-G108 WeakPolarHBondContact CB-O 3.05Å; R50-G108 PolarHBondContact N-O 3.28Å; R50-W109 PolarHBondContact NH2-O 3.1Å; R50-I110 HydrophobicContact CB-CD1 4.45Å; R50-I110 HydrophobicContact CB-CG1 4.15Å; R50-I110 HydrophobicContact CG-CD1 4.3Å; R50-I110 HydrophobicContact CG-CG1 4.26Å
51P85.4Confident81.2Confident13 Ų1353.7 Ų53.78%0.08431%0.314CS..PPolyproline II helixtrans-61.5157.5170.9-2535.9000112A55 L57 L63 W66P51-A55 HydrophobicContact CB-CB 3.91Å; P51-L57 HydrophobicContact CG-CD2 4.22Å; P51-L63 HydrophobicContact CG-CD1 3.55Å; P51-W66 HydrophobicContact CB-CD2 4.19Å; P51-W66 HydrophobicContact CB-CG 4.18Å; P51-W66 HydrophobicContact CG-CB 4.37Å; P51-W66 HydrophobicContact CG-CG 4.21Å
52P84.7Confident80.7Confident20 Ų2054.8 Ų54.813%0.1333%0.325CS..PPolyproline II helixtrans-52.7147.3175.1-26.835.6000112.7N54 A55 W66P52-N54 WeakPolarHBondContact CB-OD1 2.99Å; P52-N54 PolarHBondContact O-N 3.47Å; P52-N54 VanDerWaalsContact O-N 3.07Å; P52-A55 WeakPolarHBondContact O-CB 3.16Å; P52-A55 PolarHBondContact O-N 3.07Å; P52-W66 VanDerWaalsContact CD-CZ3 3.47Å; P52-W66 HydrophobicContact CG-CE3 4.41Å; P52-W66 HydrophobicContact CG-CH2 3.92Å; P52-W66 HydrophobicContact CG-CZ3 3.68Å
53A79.3Confident80.2Confident105 Ų10557.4 Ų57.487%0.86834%0.339SS*.THydrogen-bonded Turntrans-61.1-21.4-177.700000114.2
54N80.4Confident79.8Confident144 Ų14461.9 Ų61.977%0.7736%0.36SS*.THydrogen-bonded Turntrans-89.6-1.9175.259.5-20.1000113.8P52P52-N54 WeakPolarHBondContact CB-OD1 2.99Å; P52-N54 PolarHBondContact O-N 3.47Å; P52-N54 VanDerWaalsContact O-N 3.07Å
55A77.3Confident79.5Confident25 Ų2560.9 Ų60.921%0.20736%0.356CS..  trans-69.6135.3176.500000110.7P51 P52 W66P51-A55 HydrophobicContact CB-CB 3.91Å; P52-A55 WeakPolarHBondContact O-CB 3.16Å; P52-A55 PolarHBondContact O-N 3.07Å; A55-W66 HydrophobicContact CB-CH2 4.17Å; A55-W66 HydrophobicContact CB-CZ2 3.51Å
56N78.4Confident79.2Confident76 Ų7661 Ų6141%0.40636%0.355SS..  trans-110.487.4177.9-169.5-15.2000108.9S58 K59 D60N56-S58 PolarHBondContact O-N 3.43Å; N56-K59 HydrophobicContact CB-CB 4.27Å; N56-K59 CarbonylContact O-C 3.52Å; N56-K59 WeakPolarHBondContact O-CA 3.26Å; N56-K59 PolarHBondContact O-N 3.15Å; N56-D60 PolarHBondContact N-OD2 3.44Å; N56-D60 VanDerWaalsContact O-CG 3.25Å; N56-D60 PolarHBondContact O-N 3.42Å
57L76.4Confident79.2Confident84 Ų8457.1 Ų57.144%0.4433%0.331SS..THydrogen-bonded Turntrans-51.3-29.5-174.8-70.6166.7000114.6P51 G62 L63P51-L57 HydrophobicContact CG-CD2 4.22Å; L57-G62 WeakPolarHBondContact O-CA 3.15Å; L57-G62 PolarHBondContact O-N 3.33Å; L57-L63 HydrophobicContact CD2-CB 4.41Å
58S69.9Low79Confident116 Ų11656.7 Ų56.781%0.81133%0.33SS*.THydrogen-bonded Turntrans-72.7-32176.8-60.90000112.6N56N56-S58 PolarHBondContact O-N 3.43Å
59K65.8Low78.6Confident148 Ų14861 Ų6164%0.64335%0.345SS*.THydrogen-bonded Turntrans-87.1-37.3174.8-69.7-171.8177.9-176.40111.1N56 G61 W86N56-K59 HydrophobicContact CB-CB 4.27Å; N56-K59 CarbonylContact O-C 3.52Å; N56-K59 WeakPolarHBondContact O-CA 3.26Å; N56-K59 PolarHBondContact O-N 3.15Å; K59-G61 PolarHBondContact O-N 3.13Å; K59-G61 VanDerWaalsContact O-N 3.12Å; K59-W86 WeakPolarHBondContact O-CH2 3.17Å; K59-W86 WeakPolarHBondContact O-CZ2 3.49Å
60D64.3Low78Confident28 Ų2863.4 Ų63.415%0.1536%0.357CS..THydrogen-bonded Turntrans-82.413.6-167.9-60.4-25.8000114.8N56 G62 A65 P84N56-D60 PolarHBondContact N-OD2 3.44Å; N56-D60 VanDerWaalsContact O-CG 3.25Å; N56-D60 PolarHBondContact O-N 3.42Å; D60-G62 VanDerWaalsContact C-N 3.34Å; D60-A65 WeakPolarHBondContact O-CB 3.44Å; D60-P84 HydrophobicContact CB-CB 3.97Å; D60-P84 HydrophobicContact CB-CG 4.3Å
61G65.9Low77.2Confident55 Ų5569.9 Ų69.957%0.56738%0.382SS*.THydrogen-bonded Turntrans7716.6-177.400000114.6K59K59-G61 PolarHBondContact O-N 3.13Å; K59-G61 VanDerWaalsContact O-N 3.12Å
62G79.4Confident76.2Confident24 Ų2476 Ų7625%0.24741%0.409CS..  trans87.2-172178.100000114.5L57 D60 E64L57-G62 WeakPolarHBondContact O-CA 3.15Å; L57-G62 PolarHBondContact O-N 3.33Å; D60-G62 VanDerWaalsContact C-N 3.34Å; G62-E64 VanDerWaalsContact C-N 3.28Å; G62-E64 PolarHBondContact O-N 3.17Å
63L79.4Confident75.4Confident56 Ų5676.5 Ų76.529%0.29342%0.418SS..G310 helixtrans-65.4-32.6-178-176.665.8000112.2P51 L57 A65 W66 L67 I110P51-L63 HydrophobicContact CG-CD1 3.55Å; L57-L63 HydrophobicContact CD2-CB 4.41Å; L63-A65 VanDerWaalsContact C-N 3.25Å; L63-A65 PolarHBondContact O-N 2.93Å; L63-W66 PolarHBondContact O-N 3.41Å; L63-W66 VanDerWaalsContact O-N 3.13Å; L63-L67 HydrophobicContact CD1-CD1 4.49Å; L63-L67 HydrophobicContact CD2-CD1 4.21Å; L63-L67 HydrophobicContact CG-CD1 3.86Å; L63-L67 HydrophobicContact CG-CG 4.49Å; L63-I110 HydrophobicContact CD1-CD1 4.16Å
64E79.3Confident75.1Confident93 Ų9377.2 Ų77.244%0.43540%0.403SS..G310 helixtrans-60.4-31.8-178-66.2-66.1148.100113.3G62 W66 L67 R69G62-E64 VanDerWaalsContact C-N 3.28Å; G62-E64 PolarHBondContact O-N 3.17Å; E64-W66 PolarHBondContact O-N 3.2Å; E64-L67 PolarHBondContact O-N 2.91Å; E64-R69 IonicContact OE2-CZ 3.51Å; E64-R69 IonicContact OE2-NE 2.88Å; E64-R69 IonicContact OE2-NH2 3.28Å; E64-R69 PolarHBondContact OE2-NH2 2.97Å
65A80.4Confident75Confident9 Ų971.3 Ų71.37%0.07437%0.373CS..G310 helixtrans-66.4-18179.400000113.5D60 L63 P84 Q85D60-A65 WeakPolarHBondContact O-CB 3.44Å; L63-A65 VanDerWaalsContact C-N 3.25Å; L63-A65 PolarHBondContact O-N 2.93Å; A65-P84 HydrophobicContact CB-CB 4.25Å; A65-Q85 WeakPolarHBondContact CB-O 3.43Å; A65-Q85 PolarHBondContact O-N 3.05Å
66W80.6Confident75.2Confident14 Ų1473.3 Ų73.35%0.05338%0.378CS..G310 helixtrans-100.1-10.8-178.2-6888.3000113.3P51 P52 A55 L63 E64 R80 F81 P84P51-W66 HydrophobicContact CB-CD2 4.19Å; P51-W66 HydrophobicContact CB-CG 4.18Å; P51-W66 HydrophobicContact CG-CB 4.37Å; P51-W66 HydrophobicContact CG-CG 4.21Å; P52-W66 VanDerWaalsContact CD-CZ3 3.47Å; P52-W66 HydrophobicContact CG-CE3 4.41Å; P52-W66 HydrophobicContact CG-CH2 3.92Å; P52-W66 HydrophobicContact CG-CZ3 3.68Å; A55-W66 HydrophobicContact CB-CH2 4.17Å; A55-W66 HydrophobicContact CB-CZ2 3.51Å; L63-W66 PolarHBondContact O-N 3.41Å; L63-W66 VanDerWaalsContact O-N 3.13Å; E64-W66 PolarHBondContact O-N 3.2Å; W66-R80 CarbonylContact O-C 3.6Å; W66-R80 WeakPolarHBondContact O-CA 3.45Å; W66-R80 WeakPolarHBondContact O-CB 3.36Å; W66-F81 PolarHBondContact O-N 3.12Å; W66-P84 HydrophobicContact CD2-CB 4.41Å; W66-P84 HydrophobicContact CH2-CG 4.37Å; W66-P84 HydrophobicContact CZ2-CB 3.97Å; W66-P84 HydrophobicContact CZ2-CG 3.91Å
67L84.2Confident75.4Confident5 Ų571.7 Ų71.73%0.02637%0.372CS..  trans-107.5116.3-171.5-62.8176000110.9H48 C49 L63 E64 P75H48-L67 HydrophobicContact CB-CD1 3.82Å; H48-L67 HydrophobicContact CB-CD2 3.84Å; C49-L67 HydrophobicContact CB-CD2 4.49Å; L63-L67 HydrophobicContact CD1-CD1 4.49Å; L63-L67 HydrophobicContact CD2-CD1 4.21Å; L63-L67 HydrophobicContact CG-CD1 3.86Å; L63-L67 HydrophobicContact CG-CG 4.49Å; E64-L67 PolarHBondContact O-N 2.91Å; L67-P75 HydrophobicContact CB-CB 3.95Å; L67-P75 HydrophobicContact CD1-CB 3.99Å
68P84.2Confident75.9Confident8 Ų870.1 Ų70.15%0.05237%0.368CS..  trans-63.3148.9169.323.1-26.3000109.8P75 E76 L79 F81 T102P68-P75 CarbonylContact O-C 3.59Å; P68-P75 WeakPolarHBondContact O-CA 3.12Å; P68-E76 HydrophobicContact CG-CB 4.2Å; P68-E76 PolarHBondContact O-N 3.04Å; P68-L79 VanDerWaalsContact CD-O 3.27Å; P68-L79 WeakPolarHBondContact CD-O 3.38Å; P68-L79 HydrophobicContact CG-CB 3.91Å; P68-F81 VanDerWaalsContact CA-CE2 3.49Å; P68-F81 HydrophobicContact CB-CE1 4.04Å; P68-F81 HydrophobicContact CB-CE2 4.04Å; P68-F81 HydrophobicContact CB-CZ 3.67Å; P68-T102 HydrophobicContact CB-CG2 4.21Å; P68-T102 HydrophobicContact CG-CG2 4.1Å
69R80.7Confident76.7Confident135 Ų13567.2 Ų67.251%0.50934%0.343SS..BIsolated β-bridgetrans-107139177.5-70.4-177.4173.6-130.44.7110.5E64 G73 Q74E64-R69 IonicContact OE2-CZ 3.51Å; E64-R69 IonicContact OE2-NE 2.88Å; E64-R69 IonicContact OE2-NH2 3.28Å; E64-R69 PolarHBondContact OE2-NH2 2.97Å; R69-G73 WeakPolarHBondContact CD-O 3.34Å; R69-G73 PolarHBondContact NH1-O 3.06Å; R69-Q74 CarbonylContact C-O 3.34Å; R69-Q74 VanDerWaalsContact CA-O 3.26Å; R69-Q74 WeakPolarHBondContact CA-O 3.27Å
70D74.8Confident77.7Confident51 Ų5160.5 Ų60.527%0.27331%0.313SS..  trans-72.2179.3173.972.29.8000111.6Q72 G73 Q74 E76D70-Q72 PolarHBondContact O-N 3.23Å; D70-Q72 VanDerWaalsContact O-N 3.08Å; D70-Q72 VanDerWaalsContact OD1-C 3.27Å; D70-Q72 VanDerWaalsContact OD1-CA 3.28Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.41Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.23Å; D70-Q72 PolarHBondContact OD1-N 3.41Å; D70-G73 PolarHBondContact O-N 3.2Å; D70-G73 PolarHBondContact OD1-N 3.21Å; D70-Q74 PolarHBondContact N-O 3Å; D70-Q74 PolarHBondContact OD1-N 3.33Å; D70-E76 HydrophobicContact CB-CG 4.08Å
71R69.6Low78.6Confident259 Ų25960.7 Ų60.798%0.97731%0.313SS*.THydrogen-bonded Turntrans-63.1-14.8178.7-64-176.4-179.3-178.80.2114
72Q65.4Low79.4Confident142 Ų14261.2 Ų61.266%0.66431%0.305SS*.THydrogen-bonded Turntrans-99.42.8180-62.4166.9-7.900111.2D70 Q74D70-Q72 PolarHBondContact O-N 3.23Å; D70-Q72 VanDerWaalsContact O-N 3.08Å; D70-Q72 VanDerWaalsContact OD1-C 3.27Å; D70-Q72 VanDerWaalsContact OD1-CA 3.28Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.41Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.23Å; D70-Q72 PolarHBondContact OD1-N 3.41Å; Q72-Q74 VanDerWaalsContact C-N 3.26Å; Q72-Q74 PolarHBondContact O-N 3.44Å
73G67.9Low79.4Confident30 Ų3062.8 Ų62.831%0.30931%0.312SS..SBendtrans76.79.4-179.400000113.8R69 D70R69-G73 WeakPolarHBondContact CD-O 3.34Å; R69-G73 PolarHBondContact NH1-O 3.06Å; D70-G73 PolarHBondContact O-N 3.2Å; D70-G73 PolarHBondContact OD1-N 3.21Å
74Q72.8Confident79.4Confident119 Ų11961.6 Ų61.656%0.55631%0.308SS*.PPolyproline II helixtrans-87.1144.8175.2-64.1-62.9-39.400110.3R69 D70 Q72 E76R69-Q74 CarbonylContact C-O 3.34Å; R69-Q74 VanDerWaalsContact CA-O 3.26Å; R69-Q74 WeakPolarHBondContact CA-O 3.27Å; D70-Q74 PolarHBondContact N-O 3Å; D70-Q74 PolarHBondContact OD1-N 3.33Å; Q72-Q74 VanDerWaalsContact C-N 3.26Å; Q72-Q74 PolarHBondContact O-N 3.44Å; Q74-E76 PolarHBondContact O-N 2.93Å
75P78.3Confident79.2Confident20 Ų2060.8 Ų60.813%0.1330%0.304CS..BIsolated β-bridgetrans-65.9128.9177.18.7-4.5000110.9H48 L67 P68H48-P75 VanDerWaalsContact CE1-CG 3.49Å; H48-P75 WeakPolarHBondContact CE1-CG 3.44Å; L67-P75 HydrophobicContact CB-CB 3.95Å; L67-P75 HydrophobicContact CD1-CB 3.99Å; P68-P75 CarbonylContact O-C 3.59Å; P68-P75 WeakPolarHBondContact O-CA 3.12Å
76E81Confident78.3Confident68 Ų6869 Ų6932%0.31833%0.333SS..PPolyproline II helixtrans-63.7135175.6-66.5-168.6172.700110.5P68 D70 Q74 L79P68-E76 HydrophobicContact CG-CB 4.2Å; P68-E76 PolarHBondContact O-N 3.04Å; D70-E76 HydrophobicContact CB-CG 4.08Å; Q74-E76 PolarHBondContact O-N 2.93Å; E76-L79 WeakPolarHBondContact OE2-CD1 3.27Å
77S83.5Confident77.1Confident42 Ų4271.4 Ų71.429%0.29436%0.363SS..SBendtrans-82.6-19.2-170.3-54.40000114.8H47H47-S77 PolarHBondContact CD2-O 3.38Å; H47-S77 WeakPolarHBondContact NE2-CB 2.93Å; H47-S77 VanDerWaalsContact O-CA 3.26Å; H47-S77 WeakPolarHBondContact O-CA 3.32Å; H47-S77 WeakPolarHBondContact O-CB 3.32Å; H47-S77 PolarHBondContact O-OG 3.44Å; H47-S77 VanDerWaalsContact O-OG 3.13Å
78C86.5Confident75.6Confident50 Ų5076.4 Ų76.434%0.33840%0.396SS..SBendtrans-118-5.1-169.1-69.20000115C128C78-C128 WeakPolarHBondContact CA-SG 3.46Å; C78-C128 HydrophobicContact CB-CB 3.81Å; C78-C128 WeakPolarHBondContact CB-SG 3.21Å; C78-C128 VanDerWaalsContact SG-CA 3.52Å; C78-C128 WeakPolarHBondContact SG-CB 3.49Å; C78-C128 CovalentContact SG-SG 2.03Å; C78-C128 PolarHBondContact SG-SG 3.48Å
79L85.9Confident73.9Confident55 Ų5581.4 Ų81.429%0.28843%0.428SS..EExtended strand (participates in β ladder)trans-125.2148.1-179.2-68.2177.8000109.6C49 P68 E76 E103C49-L79 PolarHBondContact SG-O 2.97Å; C49-L79 VanDerWaalsContact SG-O 3.4Å; P68-L79 VanDerWaalsContact CD-O 3.27Å; P68-L79 WeakPolarHBondContact CD-O 3.38Å; P68-L79 HydrophobicContact CG-CB 3.91Å; E76-L79 WeakPolarHBondContact OE2-CD1 3.27Å; L79-E103 WeakPolarHBondContact CA-O 3.43Å
80R86.8Confident72.4Confident8 Ų884 Ų843%0.0344%0.443CS..EExtended strand (participates in β ladder)trans-131.7158.5169.665.4177.2-168.7-174.65.8110.3C49 R50 W66 T102 E103 T106 D107C49-R80 HydrophobicContact CB-CB 3.71Å; C49-R80 HydrophobicContact CB-CG 4.19Å; R50-R80 PolarHBondContact O-NH1 2.9Å; W66-R80 CarbonylContact O-C 3.6Å; W66-R80 WeakPolarHBondContact O-CA 3.45Å; W66-R80 WeakPolarHBondContact O-CB 3.36Å; R80-T102 CarbonylContact O-C 3.47Å; R80-T102 WeakPolarHBondContact O-CA 3.09Å; R80-E103 HydrophobicContact CG-CG 3.85Å; R80-E103 IonicContact CZ-OE1 3.95Å; R80-E103 PolarHBondContact N-O 3.46Å; R80-E103 IonicContact NE-OE1 3.55Å; R80-E103 PolarHBondContact NE-OE1 3.45Å; R80-E103 IonicContact NH2-OE1 3.42Å; R80-E103 PolarHBondContact NH2-OE1 2.89Å; R80-E103 PolarHBondContact O-N 2.94Å; R80-T106 PolarHBondContact NH2-OG1 2.9Å; R80-D107 IonicContact CZ-OD2 3.3Å; R80-D107 IonicContact NH1-OD2 3.4Å; R80-D107 PolarHBondContact NH1-OD2 3.33Å; R80-D107 IonicContact NH2-OD2 2.64Å; R80-D107 PolarHBondContact NH2-OD2 2.96Å
81F84.5Confident70.9Confident32 Ų3287 Ų8714%0.1447%0.465CS..EExtended strand (participates in β ladder)trans-71.6145.2167.6-65.3-61.6000111.1W66 P68 S83 Q85 G100 T102W66-F81 PolarHBondContact O-N 3.12Å; P68-F81 VanDerWaalsContact CA-CE2 3.49Å; P68-F81 HydrophobicContact CB-CE1 4.04Å; P68-F81 HydrophobicContact CB-CE2 4.04Å; P68-F81 HydrophobicContact CB-CZ 3.67Å; F81-S83 VanDerWaalsContact C-N 3.26Å; F81-S83 VanDerWaalsContact CB-O 3.3Å; F81-S83 WeakPolarHBondContact CB-O 3.38Å; F81-S83 PolarHBondContact O-N 3.28Å; F81-Q85 HydrophobicContact CB-CG 4.32Å; F81-Q85 HydrophobicContact CD1-CG 4.11Å; F81-Q85 HydrophobicContact CD2-CB 4.4Å; F81-Q85 HydrophobicContact CD2-CG 3.74Å; F81-Q85 HydrophobicContact CE1-CG 4.34Å; F81-Q85 HydrophobicContact CE2-CB 4.48Å; F81-Q85 HydrophobicContact CE2-CG 3.99Å; F81-Q85 HydrophobicContact CG-CG 3.8Å; F81-Q85 HydrophobicContact CZ-CG 4.28Å; F81-G100 WeakPolarHBondContact CD1-O 3.3Å; F81-T102 HydrophobicContact CD1-CG2 3.81Å; F81-T102 HydrophobicContact CE1-CG2 3.88Å
82T82.9Confident69.5Low65 Ų6582.2 Ų82.240%0.39946%0.459SS..SBendtrans-71.3-22.6174.3550000112.6A101 E103T82-A101 HydrophobicContact CG2-CB 4.21Å; T82-A101 WeakPolarHBondContact CG2-O 3.41Å; T82-A101 PolarHBondContact N-O 3.44Å; T82-A101 PolarHBondContact OG1-O 3.3Å; T82-A101 VanDerWaalsContact OG1-O 3.1Å; T82-E103 HydrophobicContact CG2-CB 4.06Å; T82-E103 HydrophobicContact CG2-CG 3.88Å
83S78.6Confident68.7Low57 Ų5779 Ų7940%0.39946%0.464SS..SBendtrans-141148175.659.10000110.7F81 Q85F81-S83 VanDerWaalsContact C-N 3.26Å; F81-S83 VanDerWaalsContact CB-O 3.3Å; F81-S83 WeakPolarHBondContact CB-O 3.38Å; F81-S83 PolarHBondContact O-N 3.28Å; S83-Q85 PolarHBondContact O-N 3.38Å; S83-Q85 PolarHBondContact O-NE2 3.01Å
84P78.6Confident67.2Low32 Ų3284.4 Ų84.421%0.20849%0.491CS..  trans-63.4128.4-177.925.7-31.7000109.9D60 A65 W66D60-P84 HydrophobicContact CB-CB 3.97Å; D60-P84 HydrophobicContact CB-CG 4.3Å; A65-P84 HydrophobicContact CB-CB 4.25Å; W66-P84 HydrophobicContact CD2-CB 4.41Å; W66-P84 HydrophobicContact CH2-CG 4.37Å; W66-P84 HydrophobicContact CZ2-CB 3.97Å; W66-P84 HydrophobicContact CZ2-CG 3.91Å
85Q75.3Confident65.5Low76 Ų7687.8 Ų87.836%0.35551%0.507SS..  trans-92.5126.9178.3-62.8-62-43.500109.7A65 F81 S83A65-Q85 WeakPolarHBondContact CB-O 3.43Å; A65-Q85 PolarHBondContact O-N 3.05Å; F81-Q85 HydrophobicContact CB-CG 4.32Å; F81-Q85 HydrophobicContact CD1-CG 4.11Å; F81-Q85 HydrophobicContact CD2-CB 4.4Å; F81-Q85 HydrophobicContact CD2-CG 3.74Å; F81-Q85 HydrophobicContact CE1-CG 4.34Å; F81-Q85 HydrophobicContact CE2-CB 4.48Å; F81-Q85 HydrophobicContact CE2-CG 3.99Å; F81-Q85 HydrophobicContact CG-CG 3.8Å; F81-Q85 HydrophobicContact CZ-CG 4.28Å; S83-Q85 PolarHBondContact O-N 3.38Å; S83-Q85 PolarHBondContact O-NE2 3.01Å
86W63Low63.6Low181 Ų18191.5 Ų91.569%0.68654%0.54SS*.  trans-109110-178.1-6776000110K59K59-W86 WeakPolarHBondContact O-CH2 3.17Å; K59-W86 WeakPolarHBondContact O-CZ2 3.49Å
87G54.8Low61.7Low65 Ų6596.2 Ų96.267%0.6757%0.567SS**SBendtrans162.2160.7174.400000114.3
88P51.7Low59.9Low110 Ų11096.6 Ų96.671%0.71458%0.578SS**  trans-67.5161.2175.530-34.6000111.8F90P88-F90 PolarHBondContact O-N 3.36Å; P88-F90 VanDerWaalsContact O-N 3.12Å
89P50Low58.6Low112 Ų112100.3 Ų100.373%0.72760%0.599SS**  trans-60.9118.1177.625.1-32.1000109.1P91P89-P91 WeakPolarHBondContact O-CD 3.35Å; P89-P91 VanDerWaalsContact O-N 3.08Å
90F48.4Very low57.6Low189 Ų18998.4 Ų98.483%0.82959%0.593SS**  trans-53.5115.7179.2-68.8-82000110.1P88P88-F90 PolarHBondContact O-N 3.36Å; P88-F90 VanDerWaalsContact O-N 3.12Å
91P43.9Very low57.2Low114 Ų114101 Ų10174%0.7462%0.616SS**  trans-83.8122.8172.619.9-7.5000108.8P89P89-P91 WeakPolarHBondContact O-CD 3.35Å; P89-P91 VanDerWaalsContact O-N 3.08Å
92N39.3Very low57.2Low159 Ų159102.8 Ų102.885%0.8563%0.629SS**SBendtrans60.7125.3165.6-68-21000116.6T94N92-T94 PolarHBondContact O-N 2.85Å
93G48.1Very low57.3Low75 Ų75102.4 Ų102.477%0.77362%0.623SS**SBendtrans-61.1130.9-169.600000113.1
94T38Very low57.7Low143 Ų143103.8 Ų103.888%0.87763%0.631SS**  trans-17149.913622.90000110.6N92N92-T94 PolarHBondContact O-N 2.85Å
95E36.9Very low58.1Low190 Ų190103 Ų10389%0.88863%0.626SS**  trans-145.6107.3160-72.1-159.8176.300110.5N97E95-N97 VanDerWaalsContact C-N 3.33Å; E95-N97 PolarHBondContact O-N 3.24Å
96A38.4Very low58.5Low98 Ų98104 Ų10481%0.8164%0.638SS**THydrogen-bonded Turntrans-87.217-172.700000114.6
97N40.2Very low59.6Low167 Ų16798.7 Ų98.789%0.89362%0.622SS**THydrogen-bonded Turntrans-127.812.3-171.5-81.5-11.2000115.6E95E95-N97 VanDerWaalsContact C-N 3.33Å; E95-N97 PolarHBondContact O-N 3.24Å
98G45.7Very low61.1Low51 Ų5196 Ų9653%0.52660%0.595SS.*  trans-113.218.8-177.900000115.8G100G98-G100 PolarHBondContact O-N 2.98Å; G98-G100 VanDerWaalsContact O-N 3.08Å
99T59.1Low62.9Low128 Ų12892.3 Ų92.379%0.78557%0.567SS**  trans-73.6102.2172.952.70000108.1A101T99-A101 PolarHBondContact O-N 2.89Å
100G64.8Low64.7Low14 Ų1490.1 Ų90.114%0.14455%0.548CS..PPolyproline II helixtrans-46.4138170.200000110F81 G98 T102F81-G100 WeakPolarHBondContact CD1-O 3.3Å; G98-G100 PolarHBondContact O-N 2.98Å; G98-G100 VanDerWaalsContact O-N 3.08Å; G100-T102 PolarHBondContact O-N 3.49Å
101A79.6Confident66.6Low63 Ų6382.6 Ų82.652%0.52152%0.515SS..PPolyproline II helixtrans-57.6126.3-177.800000109.5T82 T99T82-A101 HydrophobicContact CG2-CB 4.21Å; T82-A101 WeakPolarHBondContact CG2-O 3.41Å; T82-A101 PolarHBondContact N-O 3.44Å; T82-A101 PolarHBondContact OG1-O 3.3Å; T82-A101 VanDerWaalsContact OG1-O 3.1Å; T99-A101 PolarHBondContact O-N 2.89Å
102T84Confident68.6Low69 Ų6980.7 Ų80.742%0.42350%0.498SS..EExtended strand (participates in β ladder)trans-101.5144.8179.555.20000110.8P68 R80 F81 G100P68-T102 HydrophobicContact CB-CG2 4.21Å; P68-T102 HydrophobicContact CG-CG2 4.1Å; R80-T102 CarbonylContact O-C 3.47Å; R80-T102 WeakPolarHBondContact O-CA 3.09Å; F81-T102 HydrophobicContact CD1-CG2 3.81Å; F81-T102 HydrophobicContact CE1-CG2 3.88Å; G100-T102 PolarHBondContact O-N 3.49Å
103E85.2Confident70.9Confident57 Ų5777.7 Ų77.727%0.26648%0.482SS..EExtended strand (participates in β ladder)trans-130.8157.3173.662.2173.8-162.600111.5L79 R80 T82L79-E103 WeakPolarHBondContact CA-O 3.43Å; R80-E103 HydrophobicContact CG-CG 3.85Å; R80-E103 IonicContact CZ-OE1 3.95Å; R80-E103 PolarHBondContact N-O 3.46Å; R80-E103 IonicContact NE-OE1 3.55Å; R80-E103 PolarHBondContact NE-OE1 3.45Å; R80-E103 IonicContact NH2-OE1 3.42Å; R80-E103 PolarHBondContact NH2-OE1 2.89Å; R80-E103 PolarHBondContact O-N 2.94Å; T82-E103 HydrophobicContact CG2-CB 4.06Å; T82-E103 HydrophobicContact CG2-CG 3.88Å
104P86.8Confident72.6Confident87 Ų8778.2 Ų78.257%0.56547%0.474SS*.EExtended strand (participates in β ladder)trans-61.1152.9170.3-19.131.9000111.8T106P104-T106 PolarHBondContact O-N 3.36Å
105C86.1Confident74.6Confident14 Ų1475.2 Ų75.210%0.09546%0.456CS..  trans-63.3107.1176.1-38.90000111.2C49 W109C49-C105 WeakPolarHBondContact CA-SG 3.35Å; C49-C105 HydrophobicContact CB-CB 3.68Å; C49-C105 WeakPolarHBondContact CB-SG 3.33Å; C49-C105 VanDerWaalsContact SG-CA 3.59Å; C49-C105 WeakPolarHBondContact SG-CB 3.43Å; C49-C105 CovalentContact SG-SG 2.01Å; C49-C105 PolarHBondContact SG-SG 3.25Å; C105-W109 HydrophobicContact CB-CZ2 4.13Å; C105-W109 PolarHBondContact SG-NE1 2.79Å
106T85.2Confident76.9Confident99 Ų9966.8 Ų66.861%0.60742%0.416SS*.SBendtrans-95.9-30.4177.550.70000113.1R80 P104 G108R80-T106 PolarHBondContact NH2-OG1 2.9Å; P104-T106 PolarHBondContact O-N 3.36Å; T106-G108 VanDerWaalsContact C-N 3.3Å; T106-G108 PolarHBondContact O-N 3Å
107D84.4Confident79.1Confident68 Ų6865 Ų6536%0.36440%0.396SS..SBendtrans-9115.2-178.5-63-69.4000113.9R50 R80R50-D107 WeakPolarHBondContact CD-O 3.37Å; R50-D107 PolarHBondContact NH1-O 3.24Å; R80-D107 IonicContact CZ-OD2 3.3Å; R80-D107 IonicContact NH1-OD2 3.4Å; R80-D107 PolarHBondContact NH1-OD2 3.33Å; R80-D107 IonicContact NH2-OD2 2.64Å; R80-D107 PolarHBondContact NH2-OD2 2.96Å
108G86.6Confident81.5Confident10 Ų1057.9 Ų57.910%0.10336%0.359CS..  trans89.5-163.218000000114.2R50 T106R50-G108 WeakPolarHBondContact CB-O 3.05Å; R50-G108 PolarHBondContact N-O 3.28Å; T106-G108 VanDerWaalsContact C-N 3.3Å; T106-G108 PolarHBondContact O-N 3Å
109W89.5Confident83.8Confident31 Ų3155.4 Ų55.412%0.11733%0.334CS..EExtended strand (participates in β ladder)trans-126.7157-171.7-61.3-93.2000112.9H47 H48 R50 C105 Y111 D125 V127H47-W109 AromaticContact CD2-CD1 3.97Å; H48-W109 CarbonylContact O-C 3.45Å; H48-W109 WeakPolarHBondContact O-CA 3.38Å; R50-W109 PolarHBondContact NH2-O 3.1Å; C105-W109 HydrophobicContact CB-CZ2 4.13Å; C105-W109 PolarHBondContact SG-NE1 2.79Å; W109-Y111 HydrophobicContact CB-CD2 4.49Å; W109-Y111 HydrophobicContact CB-CE1 4.3Å; W109-Y111 HydrophobicContact CB-CE2 3.81Å; W109-D125 HydrophobicContact CE3-CB 3.54Å; W109-D125 VanDerWaalsContact CE3-CG 3.4Å; W109-D125 HydrophobicContact CH2-CB 4.37Å; W109-D125 HydrophobicContact CZ3-CB 3.42Å; W109-D125 VanDerWaalsContact CZ3-CB 3.42Å; W109-V127 HydrophobicContact CD2-CG2 3.61Å; W109-V127 VanDerWaalsContact CE2-CG2 3.42Å; W109-V127 HydrophobicContact CE3-CG2 4.31Å; W109-V127 HydrophobicContact CG-CG2 3.79Å; W109-V127 HydrophobicContact CZ2-CG2 3.99Å
110I87.6Confident85.3Confident66 Ų6649.3 Ų49.334%0.33830%0.297SS..EExtended strand (participates in β ladder)trans-114.5122169.1-60.2171.5000106.5H47 H48 R50 L63H47-I110 VanDerWaalsContact CA-O 3.26Å; H47-I110 WeakPolarHBondContact CA-O 3.28Å; H48-I110 PolarHBondContact N-O 3.28Å; H48-I110 PolarHBondContact O-N 2.9Å; R50-I110 HydrophobicContact CB-CD1 4.45Å; R50-I110 HydrophobicContact CB-CG1 4.15Å; R50-I110 HydrophobicContact CG-CD1 4.3Å; R50-I110 HydrophobicContact CG-CG1 4.26Å; L63-I110 HydrophobicContact CD1-CD1 4.16Å
111Y89.6Confident86.5Confident32 Ų3248.7 Ų48.713%0.12529%0.29CS..EExtended strand (participates in β ladder)trans-105144.3-179.3-60.3-81.4000110.7P45 H47 W109 N113 T122 D125 V127P45-Y111 HydrophobicContact CG-CD1 3.91Å; P45-Y111 HydrophobicContact CG-CG 4.39Å; H47-Y111 HydrophobicContact CB-CD1 3.44Å; H47-Y111 VanDerWaalsContact CB-CD1 3.44Å; H47-Y111 HydrophobicContact CB-CE1 3.67Å; H47-Y111 HydrophobicContact CB-CG 4.35Å; W109-Y111 HydrophobicContact CB-CD2 4.49Å; W109-Y111 HydrophobicContact CB-CE1 4.3Å; W109-Y111 HydrophobicContact CB-CE2 3.81Å; Y111-N113 PolarHBondContact O-N 2.92Å; Y111-T122 HydrophobicContact CD1-CG2 3.65Å; Y111-T122 HydrophobicContact CD2-CG2 3.87Å; Y111-T122 HydrophobicContact CE1-CG2 4.14Å; Y111-T122 HydrophobicContact CE2-CG2 4.33Å; Y111-T122 HydrophobicContact CG-CG2 3.51Å; Y111-D125 VanDerWaalsContact CE2-OD1 3.26Å; Y111-D125 WeakPolarHBondContact CE2-OD1 3.49Å; Y111-D125 WeakPolarHBondContact OH-CA 3.26Å; Y111-D125 PolarHBondContact OH-OD1 2.8Å; Y111-V127 HydrophobicContact CE1-CG1 3.87Å
112D86.2Confident87Confident73 Ų7346.8 Ų46.839%0.3927%0.272SS..  trans-76.2118.5167.3-177.115.7000110.5P45 T46 S114P45-D112 WeakPolarHBondContact CB-O 3.39Å; T46-D112 PolarHBondContact O-N 3.44Å; T46-D112 WeakPolarHBondContact OG1-CB 3.41Å; D112-S114 VanDerWaalsContact OD1-CB 3.24Å; D112-S114 WeakPolarHBondContact OD1-CB 3.16Å; D112-S114 PolarHBondContact OD1-N 3.3Å; D112-S114 PolarHBondContact OD1-OG 3.32Å; D112-S114 PolarHBondContact OD2-OG 2.84Å
113N86.4Confident87.3Confident97 Ų9746.6 Ų46.652%0.51927%0.266SS..THydrogen-bonded Turntrans-94.17.1-178.7-68.6-8.7000113Y111 T115Y111-N113 PolarHBondContact O-N 2.92Å; N113-T115 PolarHBondContact O-N 2.9Å
114S84.2Confident87.6Confident85 Ų8545.9 Ų45.959%0.59426%0.261SS*.THydrogen-bonded Turntrans-59.6-43.1-177.666.50000113.6D112D112-S114 VanDerWaalsContact OD1-CB 3.24Å; D112-S114 WeakPolarHBondContact OD1-CB 3.16Å; D112-S114 PolarHBondContact OD1-N 3.3Å; D112-S114 PolarHBondContact OD1-OG 3.32Å; D112-S114 PolarHBondContact OD2-OG 2.84Å
115T80.9Confident87.7Confident80 Ų8044.4 Ų44.449%0.49125%0.249SC..THydrogen-bonded Turntrans-103.3-41.4-175.1-52.60000111.9N113N113-T115 PolarHBondContact O-N 2.9Å
116F83.6Confident87.8Confident13 Ų1343.9 Ų43.96%0.05725%0.245CC..  trans-122.5111.2177.8-63.2-77.2000109.3A43 S118 T119 I367 Y368A43-F116 HydrophobicContact CB-CD1 4.31Å; A43-F116 HydrophobicContact CB-CD2 4.09Å; A43-F116 HydrophobicContact CB-CE1 4.11Å; A43-F116 HydrophobicContact CB-CE2 3.88Å; A43-F116 HydrophobicContact CB-CG 4.33Å; A43-F116 HydrophobicContact CB-CZ 3.94Å; F116-S118 VanDerWaalsContact C-N 3.27Å; F116-S118 PolarHBondContact O-N 3.32Å; F116-T119 HydrophobicContact CB-CG2 3.68Å; F116-T119 HydrophobicContact CD1-CG2 4.29Å; F116-T119 HydrophobicContact CG-CG2 4.04Å; F116-I367 HydrophobicContact CE1-CD1 3.82Å; F116-I367 HydrophobicContact CE2-CD1 4.1Å; F116-I367 HydrophobicContact CZ-CD1 3.22Å; F116-I367 HydrophobicContact CZ-CG1 3.79Å; F116-Y368 HydrophobicContact CE1-CE2 4.41Å; F116-Y368 AromaticContact CE1-CZ 3.88Å; F116-Y368 WeakPolarHBondContact CE1-OH 3.09Å; F116-Y368 HydrophobicContact CZ-CE2 4.13Å
117P86.4Confident87.8Confident60 Ų6039.3 Ų39.339%0.3922%0.217SC..SBendtrans-69.9-27.9179.928-34.1000112.2P245 H246P117-P245 HydrophobicContact CG-CB 4.45Å; P117-P245 HydrophobicContact CG-CG 4.11Å; P117-H246 HydrophobicContact CG-CB 4.23Å
118S90.1Very high87.8Confident18 Ų1837.6 Ų37.613%0.12621%0.21CC..  trans-163.1137.3175.8-178.80000110.3F116 H246 W247F116-S118 VanDerWaalsContact C-N 3.27Å; F116-S118 PolarHBondContact O-N 3.32Å; S118-H246 VanDerWaalsContact CB-CE1 3.45Å; S118-H246 WeakPolarHBondContact CB-CE1 3.46Å; S118-H246 WeakPolarHBondContact CB-ND1 3.45Å; S118-W247 PolarHBondContact O-N 3.05Å; S118-W247 PolarHBondContact OG-NE1 2.6Å
119T92.5Very high87.6Confident0 Ų041.7 Ų41.70%024%0.237CC..  trans-132.4166.5173.668.90000110.3T41 A43 F116 V121 T122 E123 W247T41-T119 WeakPolarHBondContact O-CA 3.35Å; T41-T119 VanDerWaalsContact O-CB 3.3Å; T41-T119 WeakPolarHBondContact O-CB 3.17Å; A43-T119 HydrophobicContact CB-CG2 4.46Å; A43-T119 WeakPolarHBondContact O-CG2 3.47Å; A43-T119 PolarHBondContact O-OG1 3.13Å; F116-T119 HydrophobicContact CB-CG2 3.68Å; F116-T119 HydrophobicContact CD1-CG2 4.29Å; F116-T119 HydrophobicContact CG-CG2 4.04Å; T119-V121 PolarHBondContact O-N 2.87Å; T119-V121 VanDerWaalsContact O-N 3.16Å; T119-V121 PolarHBondContact OG1-N 2.68Å; T119-T122 PolarHBondContact N-OG1 2.81Å; T119-T122 PolarHBondContact O-N 2.94Å; T119-T122 PolarHBondContact O-OG1 2.83Å; T119-T122 WeakPolarHBondContact OG1-CG2 3.3Å; T119-T122 PolarHBondContact OG1-N 3.23Å; T119-T122 VanDerWaalsContact OG1-N 3.09Å; T119-T122 PolarHBondContact OG1-OG1 3.42Å; T119-E123 WeakPolarHBondContact O-CB 3.35Å; T119-E123 PolarHBondContact O-N 3.48Å; T119-W247 VanDerWaalsContact CA-CD1 3.44Å
120I91.8Very high87.3Confident0 Ų044.5 Ų44.50%025%0.251CS..Hα-helixtrans-61.1-23.6172.171.5173.2000111.8T41 A42 W124 L126 Y188 W247T41-I120 WeakPolarHBondContact O-CG1 3.42Å; T41-I120 PolarHBondContact O-N 2.91Å; A42-I120 HydrophobicContact CB-CD1 3.53Å; A42-I120 HydrophobicContact CB-CG1 3.64Å; I120-W124 HydrophobicContact CB-CE3 3.92Å; I120-W124 HydrophobicContact CB-CZ3 3.71Å; I120-W124 HydrophobicContact CG2-CZ3 3.92Å; I120-W124 PolarHBondContact O-N 2.8Å; I120-L126 HydrophobicContact CG1-CD1 4.41Å; I120-Y188 HydrophobicContact CD1-CE1 3.81Å; I120-Y188 HydrophobicContact CG2-CE2 4.21Å; I120-W247 HydrophobicContact CG2-CD2 3.62Å; I120-W247 HydrophobicContact CG2-CE3 3.6Å; I120-W247 HydrophobicContact CG2-CG 4.18Å; I120-W247 HydrophobicContact CG2-CH2 4.24Å; I120-W247 HydrophobicContact CG2-CZ2 4.24Å; I120-W247 HydrophobicContact CG2-CZ3 3.93Å
121V89.8Confident87Confident0 Ų047.1 Ų47.10%026%0.257CS..Hα-helixtrans-74.1-47.2177.41760000110.2A42 I44 T119 E123 D125 L126 V127A42-V121 HydrophobicContact CB-CG2 4.33Å; A42-V121 WeakPolarHBondContact O-CG2 3.37Å; I44-V121 HydrophobicContact CG1-CG1 4.23Å; I44-V121 HydrophobicContact CG1-CG2 4.21Å; T119-V121 PolarHBondContact O-N 2.87Å; T119-V121 VanDerWaalsContact O-N 3.16Å; T119-V121 PolarHBondContact OG1-N 2.68Å; V121-E123 VanDerWaalsContact C-N 3.3Å; V121-E123 PolarHBondContact O-N 3.31Å; V121-D125 VanDerWaalsContact O-CA 3.23Å; V121-D125 WeakPolarHBondContact O-CA 3.47Å; V121-D125 PolarHBondContact O-N 3.42Å; V121-L126 HydrophobicContact CB-CB 4.49Å; V121-L126 HydrophobicContact CG1-CB 4.34Å; V121-L126 HydrophobicContact CG2-CB 4.4Å; V121-L126 PolarHBondContact O-N 3.36Å; V121-V127 HydrophobicContact CG1-CG1 3.47Å; V121-V127 VanDerWaalsContact CG1-CG1 3.47Å
122T89.8Confident86.7Confident24 Ų2446.8 Ų46.815%0.14726%0.26CS..Hα-helixtrans-71.1-24.8179.858.30000113.3P45 Y111 T119P45-T122 HydrophobicContact CG-CG2 3.48Å; P45-T122 VanDerWaalsContact CG-CG2 3.48Å; Y111-T122 HydrophobicContact CD1-CG2 3.65Å; Y111-T122 HydrophobicContact CD2-CG2 3.87Å; Y111-T122 HydrophobicContact CE1-CG2 4.14Å; Y111-T122 HydrophobicContact CE2-CG2 4.33Å; Y111-T122 HydrophobicContact CG-CG2 3.51Å; T119-T122 PolarHBondContact N-OG1 2.81Å; T119-T122 PolarHBondContact O-N 2.94Å; T119-T122 PolarHBondContact O-OG1 2.83Å; T119-T122 WeakPolarHBondContact OG1-CG2 3.3Å; T119-T122 PolarHBondContact OG1-N 3.23Å; T119-T122 VanDerWaalsContact OG1-N 3.09Å; T119-T122 PolarHBondContact OG1-OG1 3.42Å
123E90.8Very high86.7Confident64 Ų6445.7 Ų45.730%0.29926%0.255SS..Hα-helixtrans-84.3-33.3-177-169.3169.6155.500113.2T119 V121 W247 R248T119-E123 WeakPolarHBondContact O-CB 3.35Å; T119-E123 PolarHBondContact O-N 3.48Å; V121-E123 VanDerWaalsContact C-N 3.3Å; V121-E123 PolarHBondContact O-N 3.31Å; E123-W247 VanDerWaalsContact OE2-CE2 3.22Å; E123-W247 WeakPolarHBondContact OE2-CZ2 3.34Å; E123-W247 PolarHBondContact OE2-NE1 3.45Å; E123-R248 IonicContact OE1-CZ 3.07Å; E123-R248 IonicContact OE1-NE 2.64Å; E123-R248 PolarHBondContact OE1-NE 3.29Å; E123-R248 IonicContact OE1-NH2 3.22Å; E123-R248 PolarHBondContact OE1-NH2 3.19Å; E123-R248 IonicContact OE2-NE 2.82Å; E123-R248 PolarHBondContact OE2-NE 2.9Å; E123-R248 IonicContact OE2-NH2 2.68Å
124W91.3Very high86.7Confident42 Ų4242 Ų4216%0.15923%0.233CC..THydrogen-bonded Turntrans-117.216.6-179.9-58.6-45000113.3I120 L126 A182 P183 F185 Y188 W247I120-W124 HydrophobicContact CB-CE3 3.92Å; I120-W124 HydrophobicContact CB-CZ3 3.71Å; I120-W124 HydrophobicContact CG2-CZ3 3.92Å; I120-W124 PolarHBondContact O-N 2.8Å; W124-L126 HydrophobicContact CB-CD2 4.12Å; W124-L126 HydrophobicContact CB-CG 4.07Å; W124-L126 HydrophobicContact CE3-CD1 4.38Å; W124-L126 PolarHBondContact O-N 3.23Å; W124-A182 HydrophobicContact CH2-CB 4.35Å; W124-A182 HydrophobicContact CZ2-CB 4.35Å; W124-P183 PolarHBondContact NE1-O 2.78Å; W124-F185 HydrophobicContact CB-CB 4.41Å; W124-F185 HydrophobicContact CD2-CB 3.87Å; W124-F185 HydrophobicContact CD2-CD2 4.42Å; W124-F185 HydrophobicContact CE3-CB 3.79Å; W124-F185 AromaticContact CE3-CD2 3.52Å; W124-F185 HydrophobicContact CE3-CD2 3.52Å; W124-F185 HydrophobicContact CE3-CG 4.15Å; W124-F185 HydrophobicContact CG-CB 4.17Å; W124-F185 HydrophobicContact CZ3-CB 4.35Å; W124-F185 AromaticContact CZ3-CD2 3.78Å; W124-F185 HydrophobicContact CZ3-CD2 3.78Å; W124-Y188 VanDerWaalsContact CH2-CB 3.41Å; W124-Y188 HydrophobicContact CH2-CD1 4.38Å; W124-Y188 AromaticContact CH2-CD2 3.96Å; W124-Y188 HydrophobicContact CH2-CD2 3.96Å; W124-Y188 AromaticContact CH2-CG 3.67Å; W124-Y188 HydrophobicContact CH2-CG 3.67Å; W124-Y188 AromaticContact CZ3-CD1 3.99Å; W124-Y188 HydrophobicContact CZ3-CD1 3.99Å; W124-Y188 HydrophobicContact CZ3-CD2 4.26Å; W124-Y188 AromaticContact CZ3-CG 3.75Å; W124-Y188 HydrophobicContact CZ3-CG 3.75Å; W124-W247 AromaticContact CH2-CH2 3.92Å; W124-W247 HydrophobicContact CH2-CH2 3.92Å; W124-W247 HydrophobicContact CH2-CZ2 4.21Å; W124-W247 HydrophobicContact CZ2-CH2 4.38Å; W124-W247 HydrophobicContact CZ2-CZ2 4.43Å
125D89.5Confident86.8Confident56 Ų5639.3 Ų39.330%0.29921%0.211SC..THydrogen-bonded Turntrans49.849.3177.2-69.6-40.4000114.5W109 Y111 V121 V127W109-D125 HydrophobicContact CE3-CB 3.54Å; W109-D125 VanDerWaalsContact CE3-CG 3.4Å; W109-D125 HydrophobicContact CH2-CB 4.37Å; W109-D125 HydrophobicContact CZ3-CB 3.42Å; W109-D125 VanDerWaalsContact CZ3-CB 3.42Å; Y111-D125 VanDerWaalsContact CE2-OD1 3.26Å; Y111-D125 WeakPolarHBondContact CE2-OD1 3.49Å; Y111-D125 WeakPolarHBondContact OH-CA 3.26Å; Y111-D125 PolarHBondContact OH-OD1 2.8Å; V121-D125 VanDerWaalsContact O-CA 3.23Å; V121-D125 WeakPolarHBondContact O-CA 3.47Å; V121-D125 PolarHBondContact O-N 3.42Å; D125-V127 PolarHBondContact O-N 2.94Å
126L88Confident87.2Confident4 Ų439 Ų392%0.02121%0.206CC..  trans-83.644.7-176.1-52.1175.6000112.5I120 V121 W124 R131 L133 F185I120-L126 HydrophobicContact CG1-CD1 4.41Å; V121-L126 HydrophobicContact CB-CB 4.49Å; V121-L126 HydrophobicContact CG1-CB 4.34Å; V121-L126 HydrophobicContact CG2-CB 4.4Å; V121-L126 PolarHBondContact O-N 3.36Å; W124-L126 HydrophobicContact CB-CD2 4.12Å; W124-L126 HydrophobicContact CB-CG 4.07Å; W124-L126 HydrophobicContact CE3-CD1 4.38Å; W124-L126 PolarHBondContact O-N 3.23Å; L126-R131 WeakPolarHBondContact O-CA 3.27Å; L126-L133 HydrophobicContact CD2-CB 4.12Å; L126-L133 HydrophobicContact CD2-CD1 3.88Å; L126-F185 HydrophobicContact CD1-CD2 3.6Å; L126-F185 HydrophobicContact CD1-CE2 3.54Å; L126-F185 HydrophobicContact CD1-CG 4.37Å; L126-F185 HydrophobicContact CD1-CZ 4.3Å; L126-F185 HydrophobicContact CD2-CD2 4.35Å; L126-F185 HydrophobicContact CD2-CG 4.32Å
127V85.6Confident87.6Confident2 Ų238.4 Ų38.41%0.01220%0.203CC..SBendtrans-111.6167.8179.4-66.60000111.5I44 W109 Y111 V121 D125 S129 H130I44-V127 HydrophobicContact CG2-CG1 4.38Å; W109-V127 HydrophobicContact CD2-CG2 3.61Å; W109-V127 VanDerWaalsContact CE2-CG2 3.42Å; W109-V127 HydrophobicContact CE3-CG2 4.31Å; W109-V127 HydrophobicContact CG-CG2 3.79Å; W109-V127 HydrophobicContact CZ2-CG2 3.99Å; Y111-V127 HydrophobicContact CE1-CG1 3.87Å; V121-V127 HydrophobicContact CG1-CG1 3.47Å; V121-V127 VanDerWaalsContact CG1-CG1 3.47Å; D125-V127 PolarHBondContact O-N 2.94Å; V127-S129 PolarHBondContact O-N 2.85Å; V127-S129 VanDerWaalsContact O-N 3.1Å; V127-H130 PolarHBondContact O-N 3.49Å
128C84.1Confident87.8Confident33 Ų3335.6 Ų35.622%0.22319%0.185CC..G310 helixtrans53.2-114.2176.5-50.70000112.3C78 H130 R131C78-C128 WeakPolarHBondContact CA-SG 3.46Å; C78-C128 HydrophobicContact CB-CB 3.81Å; C78-C128 WeakPolarHBondContact CB-SG 3.21Å; C78-C128 VanDerWaalsContact SG-CA 3.52Å; C78-C128 WeakPolarHBondContact SG-CB 3.49Å; C78-C128 CovalentContact SG-SG 2.03Å; C78-C128 PolarHBondContact SG-SG 3.48Å; C128-H130 PolarHBondContact O-N 3.04Å; C128-R131 VanDerWaalsContact O-CB 3.29Å; C128-R131 WeakPolarHBondContact O-CB 3.44Å; C128-R131 PolarHBondContact O-N 3.44Å
129S82Confident87.9Confident95 Ų9535 Ų3566%0.66418%0.181SC*.G310 helixtrans-60.7-24.8179.453.30000114.2V127V127-S129 PolarHBondContact O-N 2.85Å; V127-S129 VanDerWaalsContact O-N 3.1Å
130H83.1Confident87.9Confident91 Ų9137.5 Ų37.542%0.42119%0.194SC..G310 helixtrans-99.75.3-178.2-65.299.8000113.4V127 C128 A132 L133V127-H130 PolarHBondContact O-N 3.49Å; C128-H130 PolarHBondContact O-N 3.04Å; H130-A132 VanDerWaalsContact C-N 3.26Å; H130-A132 PolarHBondContact O-N 3.44Å; H130-L133 HydrophobicContact CB-CD1 4.1Å; H130-L133 VanDerWaalsContact O-CB 3.31Å; H130-L133 WeakPolarHBondContact O-CB 3.33Å; H130-L133 PolarHBondContact O-N 3.2Å
131R80.8Confident88Confident121 Ų12137.5 Ų37.546%0.45719%0.194SC..Hα-helixtrans-57.6-37.7-178.5-169.9-178.2-164.9-176.24.6113I44 L126 C128 L133 R134I44-R131 HydrophobicContact CD1-CG 4.49Å; L126-R131 WeakPolarHBondContact O-CA 3.27Å; C128-R131 VanDerWaalsContact O-CB 3.29Å; C128-R131 WeakPolarHBondContact O-CB 3.44Å; C128-R131 PolarHBondContact O-N 3.44Å; R131-L133 PolarHBondContact O-N 3.25Å; R131-R134 PolarHBondContact O-N 3.13Å
132A83.6Confident88.1Confident24 Ų2437.6 Ų37.620%0.19819%0.194CC..Hα-helixtrans-51.4-35.4174.800000113.8H130 R134 Q135 L136 M477H130-A132 VanDerWaalsContact C-N 3.26Å; H130-A132 PolarHBondContact O-N 3.44Å; A132-R134 VanDerWaalsContact C-N 3.27Å; A132-R134 PolarHBondContact O-N 3.16Å; A132-Q135 PolarHBondContact O-N 3.09Å; A132-Q135 VanDerWaalsContact O-N 3.08Å; A132-L136 PolarHBondContact O-N 3.22Å; A132-M477 HydrophobicContact CB-CE 3.39Å; A132-M477 HydrophobicContact CB-SD 4.32Å
133L86.4Confident88.4Confident51 Ų5138.5 Ų38.527%0.26720%0.2SC..Hα-helixtrans-62.2-35.2-176.4-68.4178.4000111.8L126 H130 R131 Q135 L136 A137 F185L126-L133 HydrophobicContact CD2-CB 4.12Å; L126-L133 HydrophobicContact CD2-CD1 3.88Å; H130-L133 HydrophobicContact CB-CD1 4.1Å; H130-L133 VanDerWaalsContact O-CB 3.31Å; H130-L133 WeakPolarHBondContact O-CB 3.33Å; H130-L133 PolarHBondContact O-N 3.2Å; R131-L133 PolarHBondContact O-N 3.25Å; L133-Q135 VanDerWaalsContact C-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.38Å; L133-L136 HydrophobicContact CD2-CD2 4.12Å; L133-L136 WeakPolarHBondContact O-CB 3.34Å; L133-L136 PolarHBondContact O-N 3.45Å; L133-A137 PolarHBondContact O-N 2.95Å; L133-F185 HydrophobicContact CB-CD1 4.45Å; L133-F185 HydrophobicContact CB-CE1 3.68Å; L133-F185 HydrophobicContact CB-CZ 3.88Å; L133-F185 HydrophobicContact CD1-CD1 4.43Å; L133-F185 HydrophobicContact CD1-CE1 4.37Å; L133-F185 HydrophobicContact CD2-CE1 4.17Å; L133-F185 HydrophobicContact CG-CE1 4.3Å; L133-F185 WeakPolarHBondContact O-CZ 3.17Å
134R86.2Confident88.6Confident19 Ų1935.4 Ų35.47%0.07219%0.186CC..Hα-helixtrans-57-46.1174.2170.9-179.4168.7-169.8-0.9111.6Q38 A42 R131 A132 L136 A137 Q138Q38-R134 PolarHBondContact NE2-O 2.75Å; A42-R134 HydrophobicContact CB-CG 3.69Å; A42-R134 VanDerWaalsContact O-CD 3.28Å; A42-R134 WeakPolarHBondContact O-CD 3.41Å; A42-R134 PolarHBondContact O-NE 3.41Å; A42-R134 PolarHBondContact O-NH1 2.99Å; R131-R134 PolarHBondContact O-N 3.13Å; A132-R134 VanDerWaalsContact C-N 3.27Å; A132-R134 PolarHBondContact O-N 3.16Å; R134-L136 VanDerWaalsContact C-N 3.31Å; R134-A137 PolarHBondContact O-N 3.44Å; R134-Q138 PolarHBondContact O-N 2.98Å
135Q86.9Confident88.6Confident29 Ų2933.7 Ų33.714%0.13618%0.179CC..Hα-helixtrans-70.8-32.1-179.4-61.6-60.95.200111.8A132 L133 Q138 S139 P473 M477A132-Q135 PolarHBondContact O-N 3.09Å; A132-Q135 VanDerWaalsContact O-N 3.08Å; L133-Q135 VanDerWaalsContact C-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.38Å; Q135-Q138 PolarHBondContact O-N 2.92Å; Q135-S139 WeakPolarHBondContact O-CB 3.38Å; Q135-S139 PolarHBondContact O-N 3.16Å; Q135-S139 PolarHBondContact O-OG 2.91Å; Q135-P473 HydrophobicContact CB-CB 4.26Å; Q135-P473 WeakPolarHBondContact CB-O 3.34Å; Q135-M477 HydrophobicContact CB-CG 3.91Å; Q135-M477 HydrophobicContact CB-SD 4.36Å; Q135-M477 HydrophobicContact CG-CG 4.1Å
136L89.6Confident88.8Confident73 Ų7332.2 Ų32.238%0.38217%0.172SC..Hα-helixtrans-59.8-44.6171.5-176.265.9000111.6A132 L133 R134 Q138 S139 L140A132-L136 PolarHBondContact O-N 3.22Å; L133-L136 HydrophobicContact CD2-CD2 4.12Å; L133-L136 WeakPolarHBondContact O-CB 3.34Å; L133-L136 PolarHBondContact O-N 3.45Å; R134-L136 VanDerWaalsContact C-N 3.31Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 3.11Å; L136-S139 PolarHBondContact O-N 3.01Å; L136-L140 HydrophobicContact CD1-CG 4.37Å; L136-L140 HydrophobicContact CG-CD1 4.1Å; L136-L140 HydrophobicContact CG-CG 4.35Å; L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.18Å; L136-L140 PolarHBondContact O-N 3.37Å
137A91.2Very high89.1Confident0 Ų035.6 Ų35.60%019%0.189CC..Hα-helixtrans-59.1-40.6177.500000112.7L133 R134 Y141 F185 Y188L133-A137 PolarHBondContact O-N 2.95Å; R134-A137 PolarHBondContact O-N 3.44Å; A137-Y141 PolarHBondContact O-N 3.1Å; A137-F185 HydrophobicContact CB-CE2 4.07Å; A137-F185 HydrophobicContact CB-CZ 3.86Å; A137-Y188 HydrophobicContact CB-CE1 4.38Å
138Q90.1Very high89.4Confident2 Ų235.5 Ų35.51%0.00919%0.189CC..Hα-helixtrans-69.5-39.5177.2-172.561.520.600111.2N35 Q38 R134 Q135 L136 Y141 M142 M358 P473N35-Q138 PolarHBondContact O-NE2 3.1Å; Q38-Q138 VanDerWaalsContact NE2-N 3.12Å; R134-Q138 PolarHBondContact O-N 2.98Å; Q135-Q138 PolarHBondContact O-N 2.92Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 3.11Å; Q138-Y141 WeakPolarHBondContact O-CB 3.37Å; Q138-Y141 PolarHBondContact O-N 2.96Å; Q138-M142 WeakPolarHBondContact O-CG 3.31Å; Q138-M142 PolarHBondContact O-N 3.14Å; Q138-M358 HydrophobicContact CG-CE 4.4Å; Q138-M358 HydrophobicContact CG-CG 4.45Å; Q138-M358 HydrophobicContact CG-SD 3.88Å; Q138-P473 HydrophobicContact CB-CB 4.28Å; Q138-P473 HydrophobicContact CB-CG 4.19Å; Q138-P473 HydrophobicContact CG-CB 4.41Å; Q138-P473 HydrophobicContact CG-CG 3.84Å
139S91.9Very high89.7Confident5 Ų535.2 Ų35.24%0.03519%0.189CC..Hα-helixtrans-63.4-43.7176.3-55.90000111.4Q135 L136 Y141 M142 V143 L474Q135-S139 WeakPolarHBondContact O-CB 3.38Å; Q135-S139 PolarHBondContact O-N 3.16Å; Q135-S139 PolarHBondContact O-OG 2.91Å; L136-S139 PolarHBondContact O-N 3.01Å; S139-Y141 VanDerWaalsContact C-N 3.33Å; S139-Y141 PolarHBondContact O-N 3.5Å; S139-M142 CarbonylContact O-C 3.51Å; S139-M142 WeakPolarHBondContact O-CB 3.22Å; S139-M142 PolarHBondContact O-N 3.15Å; S139-M142 VanDerWaalsContact O-N 3.11Å; S139-V143 WeakPolarHBondContact O-CG2 3.37Å; S139-V143 PolarHBondContact O-N 2.78Å; S139-L474 WeakPolarHBondContact OG-CD2 3.49Å
140L94.3Very high90Very high52 Ų5235.5 Ų35.527%0.27218%0.181SC..Hα-helixtrans-62.7-38.5175.6-73.4174000112.2L136 V143 G144 C189 L193L136-L140 HydrophobicContact CD1-CG 4.37Å; L136-L140 HydrophobicContact CG-CD1 4.1Å; L136-L140 HydrophobicContact CG-CG 4.35Å; L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.18Å; L136-L140 PolarHBondContact O-N 3.37Å; L140-V143 PolarHBondContact O-N 3.33Å; L140-G144 PolarHBondContact O-N 2.98Å; L140-C189 HydrophobicContact CD1-CB 3.83Å; L140-L193 HydrophobicContact CD2-CD1 4.36Å
141Y93.5Very high90.4Very high1 Ų134.6 Ų34.60%0.00418%0.182CC..Hα-helixtrans-59.2-45.9170.8172.1-89.8000111.4N35 A137 Q138 S139 V143 G144 V145 R192 L199N35-Y141 WeakPolarHBondContact CA-OH 3.3Å; N35-Y141 WeakPolarHBondContact OD1-CE1 3.49Å; A137-Y141 PolarHBondContact O-N 3.1Å; Q138-Y141 WeakPolarHBondContact O-CB 3.37Å; Q138-Y141 PolarHBondContact O-N 2.96Å; S139-Y141 VanDerWaalsContact C-N 3.33Å; S139-Y141 PolarHBondContact O-N 3.5Å; Y141-V143 PolarHBondContact O-N 3.3Å; Y141-G144 CarbonylContact O-C 3.57Å; Y141-G144 WeakPolarHBondContact O-CA 3.28Å; Y141-G144 PolarHBondContact O-N 3.23Å; Y141-G144 VanDerWaalsContact O-N 3.12Å; Y141-V145 HydrophobicContact CD1-CG2 4.26Å; Y141-V145 HydrophobicContact CE1-CG2 3.8Å; Y141-V145 WeakPolarHBondContact O-CG2 3.33Å; Y141-V145 PolarHBondContact O-N 3.03Å; Y141-R192 VanDerWaalsContact CD2-O 3.29Å; Y141-R192 WeakPolarHBondContact CD2-O 3.45Å; Y141-L199 WeakPolarHBondContact OH-CD2 3.49Å
142M92.1Very high90.9Very high1 Ų129.3 Ų29.31%0.00516%0.162CC..Hα-helixtrans-66.9-34.5177.5-67.7-65.917800113.1N35 Q138 S139 G144 V145 L146 Y354 M358 I470N35-M142 WeakPolarHBondContact OD1-CE 3.3Å; Q138-M142 WeakPolarHBondContact O-CG 3.31Å; Q138-M142 PolarHBondContact O-N 3.14Å; S139-M142 CarbonylContact O-C 3.51Å; S139-M142 WeakPolarHBondContact O-CB 3.22Å; S139-M142 PolarHBondContact O-N 3.15Å; S139-M142 VanDerWaalsContact O-N 3.11Å; M142-G144 VanDerWaalsContact C-N 3.32Å; M142-V145 WeakPolarHBondContact O-CB 3.5Å; M142-V145 PolarHBondContact O-N 3.26Å; M142-L146 PolarHBondContact O-N 3.44Å; M142-Y354 HydrophobicContact CE-CD1 3.59Å; M142-Y354 HydrophobicContact CE-CE1 3.48Å; M142-Y354 VanDerWaalsContact CE-CE1 3.48Å; M142-Y354 HydrophobicContact CE-CG 4.26Å; M142-M358 HydrophobicContact CE-CE 4.01Å; M142-I470 HydrophobicContact CB-CB 4.43Å; M142-I470 HydrophobicContact CB-CG1 3.59Å
143V94.9Very high91Very high43 Ų4329.2 Ų29.226%0.26116%0.164SC..Hα-helixtrans-61.1-44.4169.41700000109.9S139 L140 Y141 V145 L146 L147 I470S139-V143 WeakPolarHBondContact O-CG2 3.37Å; S139-V143 PolarHBondContact O-N 2.78Å; L140-V143 PolarHBondContact O-N 3.33Å; Y141-V143 PolarHBondContact O-N 3.3Å; V143-V145 VanDerWaalsContact C-N 3.33Å; V143-V145 PolarHBondContact O-N 3.38Å; V143-L146 WeakPolarHBondContact O-CB 3.2Å; V143-L146 PolarHBondContact O-N 2.91Å; V143-L146 VanDerWaalsContact O-N 3.17Å; V143-L147 HydrophobicContact CG1-CD1 3.99Å; V143-L147 HydrophobicContact CG1-CG 4.35Å; V143-L147 WeakPolarHBondContact O-CG 3.42Å; V143-L147 PolarHBondContact O-N 3.42Å; V143-I470 HydrophobicContact CB-CD1 4.46Å; V143-I470 HydrophobicContact CG2-CD1 3.87Å; V143-I470 HydrophobicContact CG2-CG1 4.01Å; V143-I470 HydrophobicContact CG2-CG2 3.8Å
144G95Very high90.9Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-53.6-49.5171.500000111.6L140 Y141 M142 L146 L147 G148 L193 M197L140-G144 PolarHBondContact O-N 2.98Å; Y141-G144 CarbonylContact O-C 3.57Å; Y141-G144 WeakPolarHBondContact O-CA 3.28Å; Y141-G144 PolarHBondContact O-N 3.23Å; Y141-G144 VanDerWaalsContact O-N 3.12Å; M142-G144 VanDerWaalsContact C-N 3.32Å; G144-L146 VanDerWaalsContact C-N 3.3Å; G144-L146 PolarHBondContact O-N 2.64Å; G144-L147 PolarHBondContact O-N 3.48Å; G144-G148 PolarHBondContact O-N 3.45Å; G144-L193 WeakPolarHBondContact CA-O 3.12Å; G144-M197 WeakPolarHBondContact O-CA 3.14Å; G144-M197 WeakPolarHBondContact O-CG 3.36Å; G144-M197 PolarHBondContact O-N 3.13Å
145V92.9Very high91Very high5 Ų534.3 Ų34.33%0.0318%0.184CC..Hα-helixtrans-57.6-41.1177.5174.70000112.3Y141 M142 V143 A149 G196 A200Y141-V145 HydrophobicContact CD1-CG2 4.26Å; Y141-V145 HydrophobicContact CE1-CG2 3.8Å; Y141-V145 WeakPolarHBondContact O-CG2 3.33Å; Y141-V145 PolarHBondContact O-N 3.03Å; M142-V145 WeakPolarHBondContact O-CB 3.5Å; M142-V145 PolarHBondContact O-N 3.26Å; V143-V145 VanDerWaalsContact C-N 3.33Å; V143-V145 PolarHBondContact O-N 3.38Å; V145-A149 WeakPolarHBondContact O-CB 3.36Å; V145-A149 PolarHBondContact O-N 3.4Å; V145-G196 WeakPolarHBondContact CA-O 3.47Å; V145-G196 WeakPolarHBondContact CG2-O 3.44Å; V145-A200 HydrophobicContact CB-CB 4.43Å; V145-A200 HydrophobicContact CG1-CB 3.93Å; V145-A200 WeakPolarHBondContact O-CB 3.36Å
146L92.5Very high91Very high26 Ų2633.1 Ų33.114%0.13618%0.179CC..Hα-helixtrans-63.9-51.7176177.458.6000112.1M142 V143 G144 G148 A149 M150 T463 R466 I470M142-L146 PolarHBondContact O-N 3.44Å; V143-L146 WeakPolarHBondContact O-CB 3.2Å; V143-L146 PolarHBondContact O-N 2.91Å; V143-L146 VanDerWaalsContact O-N 3.17Å; G144-L146 VanDerWaalsContact C-N 3.3Å; G144-L146 PolarHBondContact O-N 2.64Å; L146-G148 VanDerWaalsContact C-N 3.3Å; L146-G148 PolarHBondContact O-N 3.02Å; L146-A149 PolarHBondContact O-N 3.5Å; L146-M150 HydrophobicContact CD1-CE 3.73Å; L146-M150 HydrophobicContact CG-CE 4.14Å; L146-M150 PolarHBondContact O-N 3.33Å; L146-T463 HydrophobicContact CD1-CG2 3.96Å; L146-R466 HydrophobicContact CB-CB 4.2Å; L146-R466 HydrophobicContact CD1-CB 3.86Å; L146-R466 HydrophobicContact CD1-CG 4.35Å; L146-I470 HydrophobicContact CB-CD1 4.14Å; L146-I470 HydrophobicContact CD2-CD1 3.77Å
147L94.2Very high90.8Very high74 Ų7433.9 Ų33.939%0.38718%0.183SC..Hα-helixtrans-61.9-40.8179.6-66.9176.3000111.3V143 G144 A149 M150 V151 M197V143-L147 HydrophobicContact CG1-CD1 3.99Å; V143-L147 HydrophobicContact CG1-CG 4.35Å; V143-L147 WeakPolarHBondContact O-CG 3.42Å; V143-L147 PolarHBondContact O-N 3.42Å; G144-L147 PolarHBondContact O-N 3.48Å; L147-A149 PolarHBondContact O-N 2.89Å; L147-M150 PolarHBondContact O-N 2.96Å; L147-V151 WeakPolarHBondContact O-CB 3.18Å; L147-V151 WeakPolarHBondContact O-CG2 3.42Å; L147-V151 PolarHBondContact O-N 3.38Å; L147-M197 HydrophobicContact CB-CE 4.43Å; L147-M197 HydrophobicContact CB-CG 4.32Å
148G92.3Very high90.5Very high0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-61.4-42.217600000112.9G144 L146 M150 F152 M197G144-G148 PolarHBondContact O-N 3.45Å; L146-G148 VanDerWaalsContact C-N 3.3Å; L146-G148 PolarHBondContact O-N 3.02Å; G148-M150 VanDerWaalsContact C-N 3.32Å; G148-M150 PolarHBondContact O-N 3.38Å; G148-F152 VanDerWaalsContact O-CB 3.27Å; G148-F152 WeakPolarHBondContact O-CB 3.06Å; G148-F152 WeakPolarHBondContact O-CD2 3.48Å; G148-F152 PolarHBondContact O-N 3.34Å; G148-M197 WeakPolarHBondContact CA-O 3.44Å
149A89.9Confident90.4Very high28 Ų2845.5 Ų45.523%0.23123%0.232CC..Hα-helixtrans-60.2-42.1176.100000112V145 L146 L147 G153 A200 L204V145-A149 WeakPolarHBondContact O-CB 3.36Å; V145-A149 PolarHBondContact O-N 3.4Å; L146-A149 PolarHBondContact O-N 3.5Å; L147-A149 PolarHBondContact O-N 2.89Å; A149-G153 WeakPolarHBondContact O-CA 3.44Å; A149-G153 PolarHBondContact O-N 3.38Å; A149-G153 VanDerWaalsContact O-N 3.08Å; A149-A200 HydrophobicContact CB-CB 4.24Å; A149-L204 HydrophobicContact CB-CD1 3.83Å
150M89Confident90.1Very high100 Ų10045.3 Ų45.349%0.49323%0.231SC..Hα-helixtrans-69.1-52.9178-64.5-178.9178.600111.9L146 L147 G148 Y154 T463L146-M150 HydrophobicContact CD1-CE 3.73Å; L146-M150 HydrophobicContact CG-CE 4.14Å; L146-M150 PolarHBondContact O-N 3.33Å; L147-M150 PolarHBondContact O-N 2.96Å; G148-M150 VanDerWaalsContact C-N 3.32Å; G148-M150 PolarHBondContact O-N 3.38Å; M150-Y154 WeakPolarHBondContact O-CB 3.08Å; M150-Y154 PolarHBondContact O-N 3.48Å; M150-Y154 VanDerWaalsContact O-N 3.15Å; M150-T463 HydrophobicContact CE-CG2 3.98Å
151V91.8Very high89.9Confident72 Ų7243.8 Ų43.844%0.43622%0.221SC..Hα-helixtrans-68.1-52.9-174.9173.80000111L147 Y154 L155L147-V151 WeakPolarHBondContact O-CB 3.18Å; L147-V151 WeakPolarHBondContact O-CG2 3.42Å; L147-V151 PolarHBondContact O-N 3.38Å; V151-Y154 PolarHBondContact O-N 3.16Å; V151-L155 VanDerWaalsContact O-CB 3.28Å; V151-L155 WeakPolarHBondContact O-CB 3.43Å; V151-L155 PolarHBondContact O-N 2.96Å
152F90.4Very high89.8Confident10 Ų1047.4 Ų47.44%0.04424%0.235CC..Hα-helixtrans-77.9-22.8-176.6-63.9-58.1000113.3G148 L155 A156 V164 L167 N168 Q171 M197G148-F152 VanDerWaalsContact O-CB 3.27Å; G148-F152 WeakPolarHBondContact O-CB 3.06Å; G148-F152 WeakPolarHBondContact O-CD2 3.48Å; G148-F152 PolarHBondContact O-N 3.34Å; F152-L155 HydrophobicContact CD1-CD2 4.24Å; F152-L155 HydrophobicContact CE1-CD2 4.47Å; F152-A156 WeakPolarHBondContact O-CB 3.36Å; F152-A156 PolarHBondContact O-N 3.28Å; F152-V164 HydrophobicContact CB-CG1 3.9Å; F152-V164 HydrophobicContact CD1-CG1 3.96Å; F152-V164 HydrophobicContact CG-CG1 4.28Å; F152-L167 HydrophobicContact CE1-CD2 3.96Å; F152-N168 VanDerWaalsContact CD1-OD1 3.29Å; F152-N168 WeakPolarHBondContact CD1-OD1 3.4Å; F152-N168 WeakPolarHBondContact CD2-OD1 3.16Å; F152-N168 WeakPolarHBondContact CE1-OD1 3.47Å; F152-N168 WeakPolarHBondContact CE2-OD1 3.49Å; F152-N168 WeakPolarHBondContact CG-OD1 2.9Å; F152-N168 WeakPolarHBondContact CZ-OD1 3.4Å; F152-Q171 VanDerWaalsContact CZ-OE1 3.29Å; F152-M197 WeakPolarHBondContact CD2-O 3.34Å; F152-M197 HydrophobicContact CE2-CB 4.14Å; F152-M197 WeakPolarHBondContact CE2-O 3.26Å
153G85Confident89.9Confident23 Ų2353.3 Ų53.324%0.23726%0.261CS..Hα-helixtrans-62.5-5316700000110.9A149 L155 A156 D157A149-G153 WeakPolarHBondContact O-CA 3.44Å; A149-G153 PolarHBondContact O-N 3.38Å; A149-G153 VanDerWaalsContact O-N 3.08Å; G153-L155 PolarHBondContact O-N 3.43Å; G153-A156 PolarHBondContact O-N 3Å; G153-D157 PolarHBondContact O-N 3.4Å
154Y85.1Confident89.8Confident131 Ų13151.3 Ų51.351%0.51425%0.248SC..Hα-helixtrans-61.1-43.3176.5174.6-105000112.8M150 V151 A156 D157 R158M150-Y154 WeakPolarHBondContact O-CB 3.08Å; M150-Y154 PolarHBondContact O-N 3.48Å; M150-Y154 VanDerWaalsContact O-N 3.15Å; V151-Y154 PolarHBondContact O-N 3.16Å; Y154-A156 VanDerWaalsContact C-N 3.29Å; Y154-A156 PolarHBondContact O-N 3.08Å; Y154-D157 PolarHBondContact O-N 3.43Å; Y154-R158 VanDerWaalsContact CZ-NE 3.31Å; Y154-R158 PolarHBondContact O-N 2.92Å; Y154-R158 PolarHBondContact OH-NE 2.99Å; Y154-R158 PolarHBondContact OH-NH2 3.26Å
155L88.4Confident89.8Confident46 Ų4651.3 Ų51.324%0.24125%0.248CC..Hα-helixtrans-65.9-33.8-179.8-157.569.7000111.7V151 F152 G153 D157 R158 L159 V164 L167V151-L155 VanDerWaalsContact O-CB 3.28Å; V151-L155 WeakPolarHBondContact O-CB 3.43Å; V151-L155 PolarHBondContact O-N 2.96Å; F152-L155 HydrophobicContact CD1-CD2 4.24Å; F152-L155 HydrophobicContact CE1-CD2 4.47Å; G153-L155 PolarHBondContact O-N 3.43Å; L155-D157 VanDerWaalsContact C-N 3.31Å; L155-D157 PolarHBondContact O-N 3.47Å; L155-R158 PolarHBondContact O-N 2.93Å; L155-L159 HydrophobicContact CD1-CD1 3.73Å; L155-L159 HydrophobicContact CD1-CG 4.02Å; L155-L159 HydrophobicContact CD2-CD1 3.86Å; L155-L159 HydrophobicContact CG-CD1 3.56Å; L155-L159 HydrophobicContact CG-CG 3.96Å; L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 PolarHBondContact O-N 3.16Å; L155-V164 HydrophobicContact CB-CG2 4.13Å; L155-V164 HydrophobicContact CD2-CG2 4.19Å; L155-V164 HydrophobicContact CG-CG2 4.08Å; L155-L167 HydrophobicContact CD2-CD2 4.27Å
156A87.3Confident89.9Confident4 Ų452.4 Ų52.43%0.03325%0.254CS..Hα-helixtrans-67.4-31.6177.900000113.1F152 G153 Y154 G160 R161 V164 N205F152-A156 WeakPolarHBondContact O-CB 3.36Å; F152-A156 PolarHBondContact O-N 3.28Å; G153-A156 PolarHBondContact O-N 3Å; Y154-A156 VanDerWaalsContact C-N 3.29Å; Y154-A156 PolarHBondContact O-N 3.08Å; A156-G160 CarbonylContact O-C 3.59Å; A156-G160 VanDerWaalsContact O-CA 3.24Å; A156-G160 WeakPolarHBondContact O-CA 3.23Å; A156-G160 PolarHBondContact O-N 3.22Å; A156-G160 VanDerWaalsContact O-N 3.08Å; A156-R161 PolarHBondContact O-NH1 3.3Å; A156-V164 HydrophobicContact CB-CB 4.33Å; A156-V164 HydrophobicContact CB-CG1 4.41Å; A156-V164 HydrophobicContact CB-CG2 4.23Å; A156-N205 WeakPolarHBondContact CB-OD1 3.38Å
157D84.9Confident90.1Very high89 Ų8955 Ų5548%0.47627%0.267SS..Hα-helixtrans-72.9-28.7174.3-73.7-26.8000112.9G153 Y154 L155 R161 W274G153-D157 PolarHBondContact O-N 3.4Å; Y154-D157 PolarHBondContact O-N 3.43Å; L155-D157 VanDerWaalsContact C-N 3.31Å; L155-D157 PolarHBondContact O-N 3.47Å; D157-R161 IonicContact OD1-CZ 3.74Å; D157-R161 IonicContact OD1-NH1 3.57Å; D157-R161 PolarHBondContact OD1-NH1 3.17Å; D157-R161 IonicContact OD1-NH2 3.1Å; D157-R161 PolarHBondContact OD1-NH2 2.94Å; D157-W274 PolarHBondContact O-NE1 3.09Å
158R85.1Confident90.1Very high167 Ų16751.4 Ų51.463%0.6325%0.249SC*.Hα-helixtrans-89.8-44.7177.4-71.6-164.1170-156.8-0.6114.8Y154 L155 W274Y154-R158 VanDerWaalsContact CZ-NE 3.31Å; Y154-R158 PolarHBondContact O-N 2.92Å; Y154-R158 PolarHBondContact OH-NE 2.99Å; Y154-R158 PolarHBondContact OH-NH2 3.26Å; L155-R158 PolarHBondContact O-N 2.93Å; R158-W274 WeakPolarHBondContact O-CZ2 3.41Å
159L88.3Confident90.3Very high79 Ų7951.4 Ų51.441%0.41425%0.249SC..Hα-helixtrans-94-22.1-173.5-61.4-171.8000113.1L155 K163 V164 W274L155-L159 HydrophobicContact CD1-CD1 3.73Å; L155-L159 HydrophobicContact CD1-CG 4.02Å; L155-L159 HydrophobicContact CD2-CD1 3.86Å; L155-L159 HydrophobicContact CG-CD1 3.56Å; L155-L159 HydrophobicContact CG-CG 3.96Å; L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 PolarHBondContact O-N 3.16Å; L159-K163 WeakPolarHBondContact O-CD 3.28Å; L159-V164 HydrophobicContact CB-CG2 4.33Å; L159-W274 VanDerWaalsContact C-CH2 3.45Å; L159-W274 VanDerWaalsContact O-CH2 3.3Å; L159-W274 WeakPolarHBondContact O-CH2 3.29Å
160G86.3Confident90.6Very high0 Ų053.1 Ų53.10%025%0.254CS..  trans103.4155.1-171.900000111.8A156 V164 E270A156-G160 CarbonylContact O-C 3.59Å; A156-G160 VanDerWaalsContact O-CA 3.24Å; A156-G160 WeakPolarHBondContact O-CA 3.23Å; A156-G160 PolarHBondContact O-N 3.22Å; A156-G160 VanDerWaalsContact O-N 3.08Å; G160-V164 WeakPolarHBondContact O-CG2 3.36Å; G160-V164 PolarHBondContact O-N 2.97Å; G160-E270 VanDerWaalsContact C-OE2 3.25Å; G160-E270 VanDerWaalsContact CA-OE2 3.31Å; G160-E270 WeakPolarHBondContact CA-OE2 3.33Å
161R89.5Confident91Very high21 Ų2150.5 Ų50.58%0.07924%0.24CC..Hα-helixtrans-72.6-39.6-171.4-62.778.3168.198.44.9110.6A156 D157 L165 T208 L209 E212 E270 W274A156-R161 PolarHBondContact O-NH1 3.3Å; D157-R161 IonicContact OD1-CZ 3.74Å; D157-R161 IonicContact OD1-NH1 3.57Å; D157-R161 PolarHBondContact OD1-NH1 3.17Å; D157-R161 IonicContact OD1-NH2 3.1Å; D157-R161 PolarHBondContact OD1-NH2 2.94Å; R161-L165 WeakPolarHBondContact O-CG 3.44Å; R161-L165 PolarHBondContact O-N 3.17Å; R161-T208 HydrophobicContact CG-CG2 4.3Å; R161-L209 HydrophobicContact CB-CD1 4.47Å; R161-E212 IonicContact CZ-OE1 3.17Å; R161-E212 IonicContact NE-OE1 2.77Å; R161-E212 PolarHBondContact NE-OE1 3.48Å; R161-E212 IonicContact NE-OE2 3.18Å; R161-E212 PolarHBondContact NE-OE2 3.3Å; R161-E212 VanDerWaalsContact NE-OE2 3.1Å; R161-E212 IonicContact NH2-OE1 2.72Å; R161-E212 PolarHBondContact NH2-OE1 2.94Å; R161-E270 PolarHBondContact N-OE1 3.36Å; R161-E270 PolarHBondContact N-OE2 3.06Å; R161-E270 VanDerWaalsContact N-OE2 3.16Å; R161-W274 VanDerWaalsContact CZ-CD1 3.44Å
162R91.9Very high91.2Very high76 Ų7647.1 Ų47.129%0.28722%0.22SC..Hα-helixtrans-62.4-47.9179174.4-174.7169.8-161-7.5112V164 L165 I166 W266 F268 E270R162-V164 VanDerWaalsContact C-N 3.3Å; R162-V164 PolarHBondContact O-N 3.5Å; R162-L165 WeakPolarHBondContact O-CB 3.39Å; R162-L165 PolarHBondContact O-N 2.59Å; R162-I166 HydrophobicContact CG-CD1 3.9Å; R162-I166 WeakPolarHBondContact O-CG1 3.4Å; R162-I166 PolarHBondContact O-N 2.98Å; R162-W266 PolarHBondContact NH2-O 2.67Å; R162-F268 WeakPolarHBondContact CD-O 3.25Å; R162-F268 HydrophobicContact CG-CB 4.11Å; R162-F268 PolarHBondContact NE-O 3.42Å; R162-F268 PolarHBondContact NH1-O 3.48Å; R162-E270 HydrophobicContact CB-CB 4.22Å; R162-E270 VanDerWaalsContact CB-OE2 3.26Å; R162-E270 WeakPolarHBondContact CB-OE2 3.26Å; R162-E270 PolarHBondContact N-OE1 3.05Å; R162-E270 VanDerWaalsContact N-OE1 3.08Å; R162-E270 PolarHBondContact N-OE2 2.88Å
163K93Very high91.4Very high125 Ų12546.6 Ų46.654%0.54322%0.218SC..Hα-helixtrans-62.9-41.2-177.3-65.7-171.6-171.6174.50111.5L159 I166 L167L159-K163 WeakPolarHBondContact O-CD 3.28Å; K163-I166 PolarHBondContact O-N 3.23Å; K163-L167 PolarHBondContact O-N 3.38Å; K163-L167 VanDerWaalsContact O-N 3.07Å
164V94.1Very high92Very high1 Ų148.7 Ų48.71%0.00623%0.226CC..Hα-helixtrans-67.4-37.8176.8174.40000111.3F152 L155 A156 L159 G160 R162 L167 N168 N205F152-V164 HydrophobicContact CB-CG1 3.9Å; F152-V164 HydrophobicContact CD1-CG1 3.96Å; F152-V164 HydrophobicContact CG-CG1 4.28Å; L155-V164 HydrophobicContact CB-CG2 4.13Å; L155-V164 HydrophobicContact CD2-CG2 4.19Å; L155-V164 HydrophobicContact CG-CG2 4.08Å; A156-V164 HydrophobicContact CB-CB 4.33Å; A156-V164 HydrophobicContact CB-CG1 4.41Å; A156-V164 HydrophobicContact CB-CG2 4.23Å; L159-V164 HydrophobicContact CB-CG2 4.33Å; G160-V164 WeakPolarHBondContact O-CG2 3.36Å; G160-V164 PolarHBondContact O-N 2.97Å; R162-V164 VanDerWaalsContact C-N 3.3Å; R162-V164 PolarHBondContact O-N 3.5Å; V164-L167 PolarHBondContact O-N 3.35Å; V164-N168 VanDerWaalsContact CG1-ND2 3.33Å; V164-N168 WeakPolarHBondContact CG1-ND2 3.38Å; V164-N168 WeakPolarHBondContact O-CB 3.21Å; V164-N168 PolarHBondContact O-N 3.42Å; V164-N168 PolarHBondContact O-ND2 3.31Å; V164-N168 VanDerWaalsContact O-ND2 3.09Å; V164-N205 WeakPolarHBondContact CG1-ND2 3.36Å
165L93.6Very high92.6Very high0 Ų042.7 Ų42.70%020%0.203CC..Hα-helixtrans-59.9-46.7171.9-77.1169.8000112.8R161 R162 L167 N168 Y169 N205 C206 L209R161-L165 WeakPolarHBondContact O-CG 3.44Å; R161-L165 PolarHBondContact O-N 3.17Å; R162-L165 WeakPolarHBondContact O-CB 3.39Å; R162-L165 PolarHBondContact O-N 2.59Å; L165-L167 VanDerWaalsContact C-N 3.32Å; L165-L167 PolarHBondContact O-N 3.12Å; L165-N168 PolarHBondContact O-N 3.17Å; L165-Y169 HydrophobicContact CB-CE2 4.23Å; L165-Y169 VanDerWaalsContact O-CD2 3.24Å; L165-Y169 WeakPolarHBondContact O-CD2 3.38Å; L165-Y169 PolarHBondContact O-N 3.09Å; L165-N205 HydrophobicContact CD1-CB 4.09Å; L165-N205 HydrophobicContact CD2-CB 3.54Å; L165-N205 HydrophobicContact CG-CB 3.55Å; L165-C206 VanDerWaalsContact CD2-SG 3.51Å; L165-L209 HydrophobicContact CD1-CD2 3.76Å
166I95.3Very high92.9Very high29 Ų2940.5 Ų40.515%0.14919%0.191CC..Hα-helixtrans-57.4-47.3177.6-65.8162.5000110.2R162 K163 N168 Y169 L170 F262 S265R162-I166 HydrophobicContact CG-CD1 3.9Å; R162-I166 WeakPolarHBondContact O-CG1 3.4Å; R162-I166 PolarHBondContact O-N 2.98Å; K163-I166 PolarHBondContact O-N 3.23Å; I166-N168 PolarHBondContact O-N 3.44Å; I166-Y169 PolarHBondContact O-N 3.02Å; I166-L170 PolarHBondContact O-N 2.97Å; I166-L170 VanDerWaalsContact O-N 3.17Å; I166-F262 HydrophobicContact CG2-CD2 3.83Å; I166-F262 HydrophobicContact CG2-CE2 3.52Å; I166-F262 WeakPolarHBondContact O-CD2 3.46Å; I166-S265 VanDerWaalsContact CG1-OG 3.3Å; I166-S265 WeakPolarHBondContact CG1-OG 3.41Å
167L95.9Very high93.3Very high79 Ų7941.6 Ų41.641%0.41420%0.198SC..Hα-helixtrans-60.2-46177.6-179.366.6000111.8F152 L155 K163 V164 L165 L170 Q171F152-L167 HydrophobicContact CE1-CD2 3.96Å; L155-L167 HydrophobicContact CD2-CD2 4.27Å; K163-L167 PolarHBondContact O-N 3.38Å; K163-L167 VanDerWaalsContact O-N 3.07Å; V164-L167 PolarHBondContact O-N 3.35Å; L165-L167 VanDerWaalsContact C-N 3.32Å; L165-L167 PolarHBondContact O-N 3.12Å; L167-L170 PolarHBondContact O-N 3.42Å; L167-Q171 WeakPolarHBondContact O-CB 3.42Å; L167-Q171 PolarHBondContact O-N 3.13Å
168N95.6Very high93.8Very high0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-70-33.8-177.3-66.7-28.3000112.9F152 V164 L165 I166 Q171 T172 S198 G201 I202F152-N168 VanDerWaalsContact CD1-OD1 3.29Å; F152-N168 WeakPolarHBondContact CD1-OD1 3.4Å; F152-N168 WeakPolarHBondContact CD2-OD1 3.16Å; F152-N168 WeakPolarHBondContact CE1-OD1 3.47Å; F152-N168 WeakPolarHBondContact CE2-OD1 3.49Å; F152-N168 WeakPolarHBondContact CG-OD1 2.9Å; F152-N168 WeakPolarHBondContact CZ-OD1 3.4Å; V164-N168 VanDerWaalsContact CG1-ND2 3.33Å; V164-N168 WeakPolarHBondContact CG1-ND2 3.38Å; V164-N168 WeakPolarHBondContact O-CB 3.21Å; V164-N168 PolarHBondContact O-N 3.42Å; V164-N168 PolarHBondContact O-ND2 3.31Å; V164-N168 VanDerWaalsContact O-ND2 3.09Å; L165-N168 PolarHBondContact O-N 3.17Å; I166-N168 PolarHBondContact O-N 3.44Å; N168-Q171 PolarHBondContact O-N 2.99Å; N168-T172 WeakPolarHBondContact O-CB 3.16Å; N168-T172 PolarHBondContact O-N 2.96Å; N168-T172 PolarHBondContact O-OG1 3.34Å; N168-S198 WeakPolarHBondContact O-CB 3.29Å; N168-G201 VanDerWaalsContact ND2-C 3.31Å; N168-G201 VanDerWaalsContact ND2-CA 3.3Å; N168-G201 WeakPolarHBondContact ND2-CA 3.39Å; N168-I202 HydrophobicContact CB-CD1 4.3Å; N168-I202 HydrophobicContact CB-CG1 3.68Å
169Y96Very high94.3Very high0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-64-45.5172.8-69.8-39.7000111.4P27 L165 I166 T172 A173 I202 C206 F258 F261 F268P27-Y169 HydrophobicContact CB-CE1 3.86Å; P27-Y169 HydrophobicContact CG-CE1 4.16Å; L165-Y169 HydrophobicContact CB-CE2 4.23Å; L165-Y169 VanDerWaalsContact O-CD2 3.24Å; L165-Y169 WeakPolarHBondContact O-CD2 3.38Å; L165-Y169 PolarHBondContact O-N 3.09Å; I166-Y169 PolarHBondContact O-N 3.02Å; Y169-T172 PolarHBondContact O-N 3.34Å; Y169-A173 WeakPolarHBondContact O-CB 3.49Å; Y169-A173 PolarHBondContact O-N 2.94Å; Y169-I202 HydrophobicContact CD1-CD1 3.55Å; Y169-I202 HydrophobicContact CD1-CG1 3.85Å; Y169-I202 HydrophobicContact CE1-CB 4.43Å; Y169-I202 HydrophobicContact CE1-CD1 3.82Å; Y169-I202 HydrophobicContact CE1-CG1 3.82Å; Y169-I202 HydrophobicContact CE1-CG2 3.71Å; Y169-C206 PolarHBondContact OH-SG 2.94Å; Y169-C206 VanDerWaalsContact OH-SG 3.33Å; Y169-F258 AromaticContact CD1-CD1 3.88Å; Y169-F258 HydrophobicContact CD1-CD1 3.88Å; Y169-F258 HydrophobicContact CD1-CE1 4.27Å; Y169-F258 HydrophobicContact CE1-CD1 4.47Å; Y169-F258 HydrophobicContact CE1-CE1 4.47Å; Y169-F261 HydrophobicContact CD1-CB 4.28Å; Y169-F261 HydrophobicContact CD2-CB 4.47Å; Y169-F261 HydrophobicContact CE1-CB 4.49Å; Y169-F261 HydrophobicContact CG-CB 4.28Å; Y169-F268 HydrophobicContact CE2-CE2 4.1Å
170L96.7Very high94.6Very high64 Ų6427.8 Ų27.834%0.33514%0.139SC..Hα-helixtrans-61.1-47.2175-176.261000111.4I166 L167 T172 A173 V174 F259 F262I166-L170 PolarHBondContact O-N 2.97Å; I166-L170 VanDerWaalsContact O-N 3.17Å; L167-L170 PolarHBondContact O-N 3.42Å; L170-T172 VanDerWaalsContact C-N 3.34Å; L170-T172 PolarHBondContact O-N 3.2Å; L170-A173 PolarHBondContact O-N 3.15Å; L170-V174 HydrophobicContact CD1-CG2 3.98Å; L170-V174 HydrophobicContact CG-CG2 4.34Å; L170-V174 WeakPolarHBondContact O-CB 3.28Å; L170-V174 WeakPolarHBondContact O-CG2 3.28Å; L170-V174 PolarHBondContact O-N 3.18Å; L170-F259 HydrophobicContact CD1-CE1 4.47Å; L170-F262 HydrophobicContact CB-CD2 3.69Å; L170-F262 HydrophobicContact CB-CE2 3.83Å; L170-F262 HydrophobicContact CB-CG 4.3Å; L170-F262 HydrophobicContact CD1-CD1 4.39Å; L170-F262 HydrophobicContact CD1-CD2 4.44Å; L170-F262 HydrophobicContact CD1-CE1 4.33Å; L170-F262 HydrophobicContact CD1-CE2 4.37Å; L170-F262 HydrophobicContact CD1-CG 4.43Å; L170-F262 HydrophobicContact CD1-CZ 4.31Å; L170-F262 HydrophobicContact CD2-CE2 4.11Å; L170-F262 HydrophobicContact CD2-CZ 4.26Å; L170-F262 HydrophobicContact CG-CE2 4.33Å
171Q96.9Very high95.1Very high45 Ų4534 Ų3421%0.2117%0.167CC..Hα-helixtrans-60.5-43179.1-179.9174.2-25.300111.8F152 L167 N168 S175 L194F152-Q171 VanDerWaalsContact CZ-OE1 3.29Å; L167-Q171 WeakPolarHBondContact O-CB 3.42Å; L167-Q171 PolarHBondContact O-N 3.13Å; N168-Q171 PolarHBondContact O-N 2.99Å; Q171-S175 VanDerWaalsContact O-CB 3.23Å; Q171-S175 WeakPolarHBondContact O-CB 3.32Å; Q171-S175 PolarHBondContact O-N 3.41Å; Q171-S175 PolarHBondContact O-OG 2.86Å; Q171-L194 PolarHBondContact NE2-O 2.83Å
172T95.4Very high95.3Very high0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-64.9-43.7177.3-52.70000111.1N168 Y169 L170 G176 S198 I202 F258N168-T172 WeakPolarHBondContact O-CB 3.16Å; N168-T172 PolarHBondContact O-N 2.96Å; N168-T172 PolarHBondContact O-OG1 3.34Å; Y169-T172 PolarHBondContact O-N 3.34Å; L170-T172 VanDerWaalsContact C-N 3.34Å; L170-T172 PolarHBondContact O-N 3.2Å; T172-G176 WeakPolarHBondContact O-CA 3.36Å; T172-G176 PolarHBondContact O-N 3.36Å; T172-S198 WeakPolarHBondContact OG1-CB 3.1Å; T172-S198 PolarHBondContact OG1-OG 3.45Å; T172-I202 WeakPolarHBondContact OG1-CD1 3.42Å; T172-F258 HydrophobicContact CG2-CD1 3.96Å; T172-F258 HydrophobicContact CG2-CD2 4.12Å; T172-F258 HydrophobicContact CG2-CE1 4.1Å; T172-F258 HydrophobicContact CG2-CE2 4.25Å; T172-F258 HydrophobicContact CG2-CG 3.98Å; T172-F258 HydrophobicContact CG2-CZ 4.24Å
173A96Very high95.4Very high0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-62.1-48.217900000111.7Y169 L170 T177 F258 F259Y169-A173 WeakPolarHBondContact O-CB 3.49Å; Y169-A173 PolarHBondContact O-N 2.94Å; L170-A173 PolarHBondContact O-N 3.15Å; A173-T177 WeakPolarHBondContact O-CB 3.13Å; A173-T177 PolarHBondContact O-N 2.97Å; A173-T177 VanDerWaalsContact O-N 3.08Å; A173-T177 PolarHBondContact O-OG1 3.44Å; A173-F258 HydrophobicContact CB-CB 3.78Å; A173-F259 HydrophobicContact CB-CD1 3.84Å; A173-F259 HydrophobicContact CB-CD2 3.82Å; A173-F259 HydrophobicContact CB-CE1 3.84Å; A173-F259 HydrophobicContact CB-CE2 3.81Å; A173-F259 HydrophobicContact CB-CG 3.83Å; A173-F259 HydrophobicContact CB-CZ 3.82Å
174V97.3Very high95.5Very high67 Ų6730.9 Ų30.941%0.40617%0.169SC..Hα-helixtrans-68.3-56-179.9174.70000110.8L170 G176 T177 C178 F259L170-V174 HydrophobicContact CD1-CG2 3.98Å; L170-V174 HydrophobicContact CG-CG2 4.34Å; L170-V174 WeakPolarHBondContact O-CB 3.28Å; L170-V174 WeakPolarHBondContact O-CG2 3.28Å; L170-V174 PolarHBondContact O-N 3.18Å; V174-G176 VanDerWaalsContact C-N 3.34Å; V174-G176 PolarHBondContact O-N 3.43Å; V174-T177 PolarHBondContact O-N 3.3Å; V174-C178 WeakPolarHBondContact O-CB 3.41Å; V174-C178 PolarHBondContact O-N 3.49Å; V174-C178 PolarHBondContact O-SG 2.95Å; V174-F259 HydrophobicContact CG2-CE1 4.33Å; V174-F259 HydrophobicContact CG2-CZ 4.35Å
175S96.8Very high95.4Very high5 Ų531.9 Ų31.94%0.03517%0.173CC..Hα-helixtrans-61.7-41.1-177.760.50000112.3Q171 C178 A179 S195Q171-S175 VanDerWaalsContact O-CB 3.23Å; Q171-S175 WeakPolarHBondContact O-CB 3.32Å; Q171-S175 PolarHBondContact O-N 3.41Å; Q171-S175 PolarHBondContact O-OG 2.86Å; S175-C178 PolarHBondContact O-N 3.42Å; S175-A179 WeakPolarHBondContact O-CB 3.31Å; S175-A179 PolarHBondContact O-N 3.16Å; S175-S195 WeakPolarHBondContact CB-OG 3.33Å; S175-S195 WeakPolarHBondContact OG-CA 3.49Å; S175-S195 PolarHBondContact OG-N 2.87Å; S175-S195 PolarHBondContact OG-OG 3.26Å
176G94.5Very high95.5Very high0 Ų036.2 Ų36.20%020%0.201CC..Hα-helixtrans-66.5-38.6178.100000113.1T172 V174 A179 A180 S195 Q251 S255T172-G176 WeakPolarHBondContact O-CA 3.36Å; T172-G176 PolarHBondContact O-N 3.36Å; V174-G176 VanDerWaalsContact C-N 3.34Å; V174-G176 PolarHBondContact O-N 3.43Å; G176-A179 PolarHBondContact O-N 2.77Å; G176-A180 PolarHBondContact O-N 3.19Å; G176-S195 PolarHBondContact N-OG 2.88Å; G176-Q251 WeakPolarHBondContact O-CG 3.48Å; G176-Q251 PolarHBondContact O-NE2 3Å; G176-S255 VanDerWaalsContact C-OG 3.26Å; G176-S255 VanDerWaalsContact CA-OG 3.29Å; G176-S255 WeakPolarHBondContact CA-OG 3.47Å; G176-S255 PolarHBondContact O-OG 3.07Å
177T96Very high95.5Very high27 Ų2737.8 Ų37.817%0.16621%0.209CC..Hα-helixtrans-68-46.1174.6-57.80000110.8A173 V174 A179 A180 F181 L252A173-T177 WeakPolarHBondContact O-CB 3.13Å; A173-T177 PolarHBondContact O-N 2.97Å; A173-T177 VanDerWaalsContact O-N 3.08Å; A173-T177 PolarHBondContact O-OG1 3.44Å; V174-T177 PolarHBondContact O-N 3.3Å; T177-A179 VanDerWaalsContact C-N 3.28Å; T177-A179 PolarHBondContact O-N 2.84Å; T177-A180 WeakPolarHBondContact O-CB 3.5Å; T177-A180 PolarHBondContact O-N 3.48Å; T177-A180 VanDerWaalsContact O-N 3.12Å; T177-F181 HydrophobicContact CG2-CD2 4.21Å; T177-F181 HydrophobicContact CG2-CE2 3.95Å; T177-F181 VanDerWaalsContact O-CD2 3.25Å; T177-F181 WeakPolarHBondContact O-CD2 3.36Å; T177-F181 PolarHBondContact O-N 3.27Å; T177-L252 HydrophobicContact CG2-CD2 3.74Å
178C96.6Very high95.5Very high43 Ų4334 Ų3429%0.29119%0.189SC..Hα-helixtrans-62.6-34176.6-66.50000112.5V174 S175 A180 F181 A182 F191V174-C178 WeakPolarHBondContact O-CB 3.41Å; V174-C178 PolarHBondContact O-N 3.49Å; V174-C178 PolarHBondContact O-SG 2.95Å; S175-C178 PolarHBondContact O-N 3.42Å; C178-A180 VanDerWaalsContact C-N 3.27Å; C178-A180 PolarHBondContact O-N 3.15Å; C178-F181 CarbonylContact O-C 3.6Å; C178-F181 PolarHBondContact O-N 3.45Å; C178-F181 VanDerWaalsContact O-N 3.08Å; C178-A182 PolarHBondContact O-N 3.38Å; C178-F191 HydrophobicContact CB-CD1 3.81Å; C178-F191 HydrophobicContact CB-CD2 3.81Å; C178-F191 HydrophobicContact CB-CE1 3.57Å; C178-F191 HydrophobicContact CB-CE2 3.55Å; C178-F191 HydrophobicContact CB-CG 3.95Å; C178-F191 HydrophobicContact CB-CZ 3.45Å; C178-F191 VanDerWaalsContact CB-CZ 3.45Å
179A94.9Very high95.5Very high0 Ų034.4 Ų34.40%019%0.192CC..Hα-helixtrans-60.2-35.5174.200000112.5S175 G176 T177 F181 A182 Y188 F191 Q251S175-A179 WeakPolarHBondContact O-CB 3.31Å; S175-A179 PolarHBondContact O-N 3.16Å; G176-A179 PolarHBondContact O-N 2.77Å; T177-A179 VanDerWaalsContact C-N 3.28Å; T177-A179 PolarHBondContact O-N 2.84Å; A179-F181 VanDerWaalsContact C-N 3.27Å; A179-F181 PolarHBondContact O-N 2.94Å; A179-A182 WeakPolarHBondContact O-CB 3.28Å; A179-A182 PolarHBondContact O-N 3.39Å; A179-Y188 HydrophobicContact CB-CD2 4.22Å; A179-Y188 HydrophobicContact CB-CE2 4.38Å; A179-F191 HydrophobicContact CB-CB 3.8Å; A179-Q251 HydrophobicContact CB-CG 4.34Å
180A95.2Very high95.5Very high1 Ų136.9 Ų36.91%0.00821%0.212CC..Hα-helixtrans-71-22.2176.300000113.6G176 T177 C178 R248 Q251 L252G176-A180 PolarHBondContact O-N 3.19Å; T177-A180 WeakPolarHBondContact O-CB 3.5Å; T177-A180 PolarHBondContact O-N 3.48Å; T177-A180 VanDerWaalsContact O-N 3.12Å; C178-A180 VanDerWaalsContact C-N 3.27Å; C178-A180 PolarHBondContact O-N 3.15Å; A180-R248 WeakPolarHBondContact CB-O 3.41Å; A180-R248 WeakPolarHBondContact O-CG 3.29Å; A180-R248 PolarHBondContact O-NH1 3.02Å; A180-Q251 HydrophobicContact CB-CB 3.96Å; A180-Q251 HydrophobicContact CB-CG 3.87Å; A180-L252 HydrophobicContact CB-CD1 4.38Å; A180-L252 HydrophobicContact CB-CD2 3.79Å; A180-L252 HydrophobicContact CB-CG 3.59Å
181F95.3Very high95.5Very high130 Ų13036.6 Ų36.657%0.5721%0.208SC*.THydrogen-bonded Turntrans-103.19.2176.9-64.9-70.5000113.1T177 C178 A179 L252T177-F181 HydrophobicContact CG2-CD2 4.21Å; T177-F181 HydrophobicContact CG2-CE2 3.95Å; T177-F181 VanDerWaalsContact O-CD2 3.25Å; T177-F181 WeakPolarHBondContact O-CD2 3.36Å; T177-F181 PolarHBondContact O-N 3.27Å; C178-F181 CarbonylContact O-C 3.6Å; C178-F181 PolarHBondContact O-N 3.45Å; C178-F181 VanDerWaalsContact O-N 3.08Å; A179-F181 VanDerWaalsContact C-N 3.27Å; A179-F181 PolarHBondContact O-N 2.94Å; F181-L252 HydrophobicContact CD2-CD2 4.44Å; F181-L252 HydrophobicContact CE2-CD1 4.32Å; F181-L252 HydrophobicContact CE2-CD2 3.7Å; F181-L252 HydrophobicContact CZ-CD1 4Å; F181-L252 HydrophobicContact CZ-CD2 4.22Å
182A95.3Very high95.4Very high0 Ų034.4 Ų34.40%020%0.198CC..  trans-58.6129.2-179.400000110.4W124 C178 A179 I187 R248W124-A182 HydrophobicContact CH2-CB 4.35Å; W124-A182 HydrophobicContact CZ2-CB 4.35Å; C178-A182 PolarHBondContact O-N 3.38Å; A179-A182 WeakPolarHBondContact O-CB 3.28Å; A179-A182 PolarHBondContact O-N 3.39Å; A182-I187 HydrophobicContact CB-CG2 4.14Å; A182-R248 PolarHBondContact O-NH2 3.44Å
183P93.4Very high95.4Very high91 Ų9136.4 Ų36.459%0.59121%0.209SC*.SBendtrans-82.5-22.7179.831.8-34.5000112.3W124 I187W124-P183 PolarHBondContact NE1-O 2.78Å; P183-I187 HydrophobicContact CG-CD1 3.83Å
184N94.1Very high95.4Very high67 Ų6739.7 Ų39.736%0.35823%0.226SC..SBendtrans-143.4161.9-179.461.945.9000111.7P186 I187 Y188N184-P186 WeakPolarHBondContact OD1-CD 3.41Å; N184-I187 WeakPolarHBondContact ND2-CD1 3.28Å; N184-I187 PolarHBondContact O-N 2.95Å; N184-I187 VanDerWaalsContact OD1-CB 3.27Å; N184-I187 WeakPolarHBondContact OD1-CB 3.5Å; N184-I187 WeakPolarHBondContact OD1-CD1 3.38Å; N184-I187 WeakPolarHBondContact OD1-CG1 3.22Å; N184-I187 PolarHBondContact OD1-N 2.78Å; N184-Y188 PolarHBondContact O-N 3.37Å; N184-Y188 VanDerWaalsContact O-N 3.14Å
185F92.8Very high95.3Very high21 Ų2136.6 Ų36.69%0.09221%0.207CC..Hα-helixtrans-61.2-42-175.5-178.3-105.7000114.6W124 L126 L133 A137 I187 Y188 C189W124-F185 HydrophobicContact CB-CB 4.41Å; W124-F185 HydrophobicContact CD2-CB 3.87Å; W124-F185 HydrophobicContact CD2-CD2 4.42Å; W124-F185 HydrophobicContact CE3-CB 3.79Å; W124-F185 AromaticContact CE3-CD2 3.52Å; W124-F185 HydrophobicContact CE3-CD2 3.52Å; W124-F185 HydrophobicContact CE3-CG 4.15Å; W124-F185 HydrophobicContact CG-CB 4.17Å; W124-F185 HydrophobicContact CZ3-CB 4.35Å; W124-F185 AromaticContact CZ3-CD2 3.78Å; W124-F185 HydrophobicContact CZ3-CD2 3.78Å; L126-F185 HydrophobicContact CD1-CD2 3.6Å; L126-F185 HydrophobicContact CD1-CE2 3.54Å; L126-F185 HydrophobicContact CD1-CG 4.37Å; L126-F185 HydrophobicContact CD1-CZ 4.3Å; L126-F185 HydrophobicContact CD2-CD2 4.35Å; L126-F185 HydrophobicContact CD2-CG 4.32Å; L133-F185 HydrophobicContact CB-CD1 4.45Å; L133-F185 HydrophobicContact CB-CE1 3.68Å; L133-F185 HydrophobicContact CB-CZ 3.88Å; L133-F185 HydrophobicContact CD1-CD1 4.43Å; L133-F185 HydrophobicContact CD1-CE1 4.37Å; L133-F185 HydrophobicContact CD2-CE1 4.17Å; L133-F185 HydrophobicContact CG-CE1 4.3Å; L133-F185 WeakPolarHBondContact O-CZ 3.17Å; A137-F185 HydrophobicContact CB-CE2 4.07Å; A137-F185 HydrophobicContact CB-CZ 3.86Å; F185-I187 PolarHBondContact O-N 3.06Å; F185-Y188 HydrophobicContact CD2-CD1 4.37Å; F185-Y188 HydrophobicContact CE2-CD1 4.33Å; F185-Y188 WeakPolarHBondContact O-CB 3.26Å; F185-Y188 PolarHBondContact O-N 3.28Å; F185-C189 VanDerWaalsContact CE1-SG 3.55Å; F185-C189 WeakPolarHBondContact CZ-SG 3.46Å; F185-C189 PolarHBondContact O-N 3.35Å; F185-C189 PolarHBondContact O-SG 2.91Å
186P95.1Very high95.2Very high91 Ų9136.4 Ų36.459%0.59121%0.206SC*.Hα-helixtrans-61.7-40.5176.8-25.835.7000113.8N184 Y188 C189 A190N184-P186 WeakPolarHBondContact OD1-CD 3.41Å; P186-Y188 VanDerWaalsContact C-N 3.33Å; P186-C189 WeakPolarHBondContact O-CB 3.17Å; P186-C189 PolarHBondContact O-N 3.35Å; P186-A190 PolarHBondContact O-N 2.94Å
187I95.8Very high95.2Very high62 Ų6237.9 Ų37.932%0.31821%0.213SC..Hα-helixtrans-64.9-40.5176.4-70.6170.9000110.4A182 P183 N184 F185 C189 A190 F191A182-I187 HydrophobicContact CB-CG2 4.14Å; P183-I187 HydrophobicContact CG-CD1 3.83Å; N184-I187 WeakPolarHBondContact ND2-CD1 3.28Å; N184-I187 PolarHBondContact O-N 2.95Å; N184-I187 VanDerWaalsContact OD1-CB 3.27Å; N184-I187 WeakPolarHBondContact OD1-CB 3.5Å; N184-I187 WeakPolarHBondContact OD1-CD1 3.38Å; N184-I187 WeakPolarHBondContact OD1-CG1 3.22Å; N184-I187 PolarHBondContact OD1-N 2.78Å; F185-I187 PolarHBondContact O-N 3.06Å; I187-C189 PolarHBondContact O-N 2.98Å; I187-A190 PolarHBondContact O-N 3.03Å; I187-F191 HydrophobicContact CG2-CD2 3.64Å; I187-F191 HydrophobicContact CG2-CE2 3.28Å; I187-F191 HydrophobicContact CG2-CZ 4.26Å; I187-F191 VanDerWaalsContact O-CD2 3.25Å; I187-F191 WeakPolarHBondContact O-CD2 3.13Å; I187-F191 PolarHBondContact O-N 3.29Å
188Y95.2Very high95.2Very high0 Ų036.6 Ų36.60%021%0.205CC..Hα-helixtrans-58-47172.6173-96.8000112I120 W124 A137 A179 N184 F185 P186 A190 F191 R192 W247I120-Y188 HydrophobicContact CD1-CE1 3.81Å; I120-Y188 HydrophobicContact CG2-CE2 4.21Å; W124-Y188 VanDerWaalsContact CH2-CB 3.41Å; W124-Y188 HydrophobicContact CH2-CD1 4.38Å; W124-Y188 AromaticContact CH2-CD2 3.96Å; W124-Y188 HydrophobicContact CH2-CD2 3.96Å; W124-Y188 AromaticContact CH2-CG 3.67Å; W124-Y188 HydrophobicContact CH2-CG 3.67Å; W124-Y188 AromaticContact CZ3-CD1 3.99Å; W124-Y188 HydrophobicContact CZ3-CD1 3.99Å; W124-Y188 HydrophobicContact CZ3-CD2 4.26Å; W124-Y188 AromaticContact CZ3-CG 3.75Å; W124-Y188 HydrophobicContact CZ3-CG 3.75Å; A137-Y188 HydrophobicContact CB-CE1 4.38Å; A179-Y188 HydrophobicContact CB-CD2 4.22Å; A179-Y188 HydrophobicContact CB-CE2 4.38Å; N184-Y188 PolarHBondContact O-N 3.37Å; N184-Y188 VanDerWaalsContact O-N 3.14Å; F185-Y188 HydrophobicContact CD2-CD1 4.37Å; F185-Y188 HydrophobicContact CE2-CD1 4.33Å; F185-Y188 WeakPolarHBondContact O-CB 3.26Å; F185-Y188 PolarHBondContact O-N 3.28Å; P186-Y188 VanDerWaalsContact C-N 3.33Å; Y188-A190 PolarHBondContact O-N 3.37Å; Y188-F191 PolarHBondContact O-N 3.2Å; Y188-R192 HydrophobicContact CD1-CG 4.11Å; Y188-R192 HydrophobicContact CD2-CG 4.35Å; Y188-R192 HydrophobicContact CE1-CG 3.68Å; Y188-R192 HydrophobicContact CE2-CG 3.94Å; Y188-R192 HydrophobicContact CG-CG 4.42Å; Y188-R192 WeakPolarHBondContact O-CB 2.96Å; Y188-R192 WeakPolarHBondContact O-CG 3.32Å; Y188-R192 PolarHBondContact O-N 2.93Å; Y188-W247 HydrophobicContact CD2-CH2 4.49Å; Y188-W247 HydrophobicContact CD2-CZ3 4.18Å; Y188-W247 HydrophobicContact CE2-CZ3 4Å
189C95.5Very high95Very high9 Ų935 Ų356%0.06119%0.194CC..Hα-helixtrans-59.6-42.6176.4-750000112.6L140 F185 P186 I187 R192 L193L140-C189 HydrophobicContact CD1-CB 3.83Å; F185-C189 VanDerWaalsContact CE1-SG 3.55Å; F185-C189 WeakPolarHBondContact CZ-SG 3.46Å; F185-C189 PolarHBondContact O-N 3.35Å; F185-C189 PolarHBondContact O-SG 2.91Å; P186-C189 WeakPolarHBondContact O-CB 3.17Å; P186-C189 PolarHBondContact O-N 3.35Å; I187-C189 PolarHBondContact O-N 2.98Å; C189-R192 PolarHBondContact O-N 3.44Å; C189-L193 WeakPolarHBondContact O-CB 3.36Å; C189-L193 PolarHBondContact O-N 3.17Å
190A96.9Very high94.8Very high52 Ų5235.2 Ų35.243%0.4320%0.195SC..Hα-helixtrans-61.6-46.2176.800000111.7P186 I187 Y188 L193 L194P186-A190 PolarHBondContact O-N 2.94Å; I187-A190 PolarHBondContact O-N 3.03Å; Y188-A190 PolarHBondContact O-N 3.37Å; A190-L193 PolarHBondContact O-N 2.85Å; A190-L194 WeakPolarHBondContact O-CG 3.15Å; A190-L194 PolarHBondContact O-N 3.45Å
191F96.6Very high94.5Very high57 Ų5735.1 Ų35.125%0.2520%0.195CC..Hα-helixtrans-66.4-38.6176.7-71.8-50.9000112.8C178 A179 I187 Y188 L193 L194 S195C178-F191 HydrophobicContact CB-CD1 3.81Å; C178-F191 HydrophobicContact CB-CD2 3.81Å; C178-F191 HydrophobicContact CB-CE1 3.57Å; C178-F191 HydrophobicContact CB-CE2 3.55Å; C178-F191 HydrophobicContact CB-CG 3.95Å; C178-F191 HydrophobicContact CB-CZ 3.45Å; C178-F191 VanDerWaalsContact CB-CZ 3.45Å; A179-F191 HydrophobicContact CB-CB 3.8Å; I187-F191 HydrophobicContact CG2-CD2 3.64Å; I187-F191 HydrophobicContact CG2-CE2 3.28Å; I187-F191 HydrophobicContact CG2-CZ 4.26Å; I187-F191 VanDerWaalsContact O-CD2 3.25Å; I187-F191 WeakPolarHBondContact O-CD2 3.13Å; I187-F191 PolarHBondContact O-N 3.29Å; Y188-F191 PolarHBondContact O-N 3.2Å; F191-L193 PolarHBondContact O-N 3.4Å; F191-L194 HydrophobicContact CD1-CD1 4.28Å; F191-L194 PolarHBondContact O-N 2.99Å; F191-S195 PolarHBondContact O-N 3.46Å; F191-S195 PolarHBondContact O-OG 3.36Å; F191-S195 VanDerWaalsContact O-OG 3.07Å
192R94.1Very high94.3Very high0 Ų029 Ų290%017%0.168CC..Hα-helixtrans-61.8-41.8173.9-74.2-75.3-74.1156.52.9111.7H34 Y141 Y188 C189 S195 G196H34-R192 PolarHBondContact O-NH1 3.2Å; Y141-R192 VanDerWaalsContact CD2-O 3.29Å; Y141-R192 WeakPolarHBondContact CD2-O 3.45Å; Y188-R192 HydrophobicContact CD1-CG 4.11Å; Y188-R192 HydrophobicContact CD2-CG 4.35Å; Y188-R192 HydrophobicContact CE1-CG 3.68Å; Y188-R192 HydrophobicContact CE2-CG 3.94Å; Y188-R192 HydrophobicContact CG-CG 4.42Å; Y188-R192 WeakPolarHBondContact O-CB 2.96Å; Y188-R192 WeakPolarHBondContact O-CG 3.32Å; Y188-R192 PolarHBondContact O-N 2.93Å; C189-R192 PolarHBondContact O-N 3.44Å; R192-S195 PolarHBondContact O-N 3.34Å; R192-G196 PolarHBondContact O-N 3.1Å
193L96.1Very high94Very high41 Ų4130.3 Ų30.322%0.21518%0.179CC..Hα-helixtrans-59.9-46.9174.1-175153.7000111L140 G144 C189 A190 F191 S195 G196 M197L140-L193 HydrophobicContact CD2-CD1 4.36Å; G144-L193 WeakPolarHBondContact CA-O 3.12Å; C189-L193 WeakPolarHBondContact O-CB 3.36Å; C189-L193 PolarHBondContact O-N 3.17Å; A190-L193 PolarHBondContact O-N 2.85Å; F191-L193 PolarHBondContact O-N 3.4Å; L193-S195 VanDerWaalsContact C-N 3.35Å; L193-S195 PolarHBondContact O-N 3.25Å; L193-G196 PolarHBondContact O-N 3.36Å; L193-G196 VanDerWaalsContact O-N 3.16Å; L193-M197 HydrophobicContact CD2-CG 4.17Å; L193-M197 HydrophobicContact CD2-SD 3.69Å; L193-M197 WeakPolarHBondContact O-CG 3.47Å; L193-M197 PolarHBondContact O-N 3.32Å
194L96.6Very high93.7Very high70 Ų7029.3 Ų29.337%0.36617%0.169SC..Hα-helixtrans-62.4-38.8177-69.8173.9000112.8Q171 A190 F191 M197 S198Q171-L194 PolarHBondContact NE2-O 2.83Å; A190-L194 WeakPolarHBondContact O-CG 3.15Å; A190-L194 PolarHBondContact O-N 3.45Å; F191-L194 HydrophobicContact CD1-CD1 4.28Å; F191-L194 PolarHBondContact O-N 2.99Å; L194-M197 HydrophobicContact CD2-SD 4.25Å; L194-M197 PolarHBondContact O-N 3.46Å; L194-S198 PolarHBondContact O-N 3.39Å; L194-S198 PolarHBondContact O-OG 3.02Å
195S94.9Very high93.4Very high2 Ų226.3 Ų26.31%0.01415%0.152CC..Hα-helixtrans-65.9-38.9173.2-59.70000111.8S175 G176 F191 R192 L193 M197 S198 L199S175-S195 WeakPolarHBondContact CB-OG 3.33Å; S175-S195 WeakPolarHBondContact OG-CA 3.49Å; S175-S195 PolarHBondContact OG-N 2.87Å; S175-S195 PolarHBondContact OG-OG 3.26Å; G176-S195 PolarHBondContact N-OG 2.88Å; F191-S195 PolarHBondContact O-N 3.46Å; F191-S195 PolarHBondContact O-OG 3.36Å; F191-S195 VanDerWaalsContact O-OG 3.07Å; R192-S195 PolarHBondContact O-N 3.34Å; L193-S195 VanDerWaalsContact C-N 3.35Å; L193-S195 PolarHBondContact O-N 3.25Å; S195-M197 VanDerWaalsContact C-N 3.35Å; S195-S198 PolarHBondContact O-N 3.05Å; S195-S198 PolarHBondContact O-OG 3.5Å; S195-L199 VanDerWaalsContact O-CB 3.3Å; S195-L199 WeakPolarHBondContact O-CB 3.44Å; S195-L199 PolarHBondContact O-N 3.38Å
196G94.6Very high93.3Very high0 Ų025.3 Ų25.30%015%0.148CC..Hα-helixtrans-60.2-44.8173.900000111.8V145 R192 L193 L199 A200V145-G196 WeakPolarHBondContact CA-O 3.47Å; V145-G196 WeakPolarHBondContact CG2-O 3.44Å; R192-G196 PolarHBondContact O-N 3.1Å; L193-G196 PolarHBondContact O-N 3.36Å; L193-G196 VanDerWaalsContact O-N 3.16Å; G196-L199 PolarHBondContact O-N 3.45Å; G196-A200 PolarHBondContact O-N 2.93Å
197M95Very high92.8Very high32 Ų3224.5 Ų24.516%0.15814%0.137CC..Hα-helixtrans-58.3-51.1177.3-69177.369.600112.3G144 L147 G148 F152 L193 L194 S195 L199 A200 G201G144-M197 WeakPolarHBondContact O-CA 3.14Å; G144-M197 WeakPolarHBondContact O-CG 3.36Å; G144-M197 PolarHBondContact O-N 3.13Å; L147-M197 HydrophobicContact CB-CE 4.43Å; L147-M197 HydrophobicContact CB-CG 4.32Å; G148-M197 WeakPolarHBondContact CA-O 3.44Å; F152-M197 WeakPolarHBondContact CD2-O 3.34Å; F152-M197 HydrophobicContact CE2-CB 4.14Å; F152-M197 WeakPolarHBondContact CE2-O 3.26Å; L193-M197 HydrophobicContact CD2-CG 4.17Å; L193-M197 HydrophobicContact CD2-SD 3.69Å; L193-M197 WeakPolarHBondContact O-CG 3.47Å; L193-M197 PolarHBondContact O-N 3.32Å; L194-M197 HydrophobicContact CD2-SD 4.25Å; L194-M197 PolarHBondContact O-N 3.46Å; S195-M197 VanDerWaalsContact C-N 3.35Å; M197-L199 VanDerWaalsContact C-N 3.32Å; M197-L199 PolarHBondContact O-N 3.13Å; M197-A200 PolarHBondContact O-N 3.45Å; M197-G201 PolarHBondContact O-N 3.18Å
198S95.1Very high92.3Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-66.3-36.2-178.655.50000112.1N168 T172 L194 S195 A200 G201 I202N168-S198 WeakPolarHBondContact O-CB 3.29Å; T172-S198 WeakPolarHBondContact OG1-CB 3.1Å; T172-S198 PolarHBondContact OG1-OG 3.45Å; L194-S198 PolarHBondContact O-N 3.39Å; L194-S198 PolarHBondContact O-OG 3.02Å; S195-S198 PolarHBondContact O-N 3.05Å; S195-S198 PolarHBondContact O-OG 3.5Å; S198-A200 PolarHBondContact O-N 3Å; S198-G201 CarbonylContact O-C 3.44Å; S198-G201 WeakPolarHBondContact O-CA 3.35Å; S198-G201 PolarHBondContact O-N 3.33Å; S198-G201 VanDerWaalsContact O-N 3.15Å; S198-I202 WeakPolarHBondContact O-CG1 3.45Å; S198-I202 PolarHBondContact O-N 3.11Å
199L92.2Very high92Very high9 Ų924 Ų245%0.04714%0.137CC..Hα-helixtrans-65.5-38.9-179.1-156.270.3000113M31 H34 Y141 S195 G196 M197 G201 I202 A203M31-L199 HydrophobicContact CB-CD1 4.07Å; M31-L199 HydrophobicContact CG-CD1 3.58Å; M31-L199 HydrophobicContact CG-CD2 3.68Å; M31-L199 HydrophobicContact CG-CG 3.54Å; M31-L199 HydrophobicContact SD-CD1 4.44Å; M31-L199 HydrophobicContact SD-CG 4.22Å; H34-L199 HydrophobicContact CB-CD1 4.49Å; H34-L199 HydrophobicContact CB-CD2 3.87Å; Y141-L199 WeakPolarHBondContact OH-CD2 3.49Å; S195-L199 VanDerWaalsContact O-CB 3.3Å; S195-L199 WeakPolarHBondContact O-CB 3.44Å; S195-L199 PolarHBondContact O-N 3.38Å; G196-L199 PolarHBondContact O-N 3.45Å; M197-L199 VanDerWaalsContact C-N 3.32Å; M197-L199 PolarHBondContact O-N 3.13Å; L199-G201 VanDerWaalsContact C-N 3.3Å; L199-G201 PolarHBondContact O-N 2.86Å; L199-I202 HydrophobicContact CD1-CD1 4.3Å; L199-I202 PolarHBondContact O-N 3.41Å; L199-A203 PolarHBondContact O-N 3.01Å
200A90.4Very high91.7Very high4 Ų423.6 Ų23.63%0.03313%0.134CC..Hα-helixtrans-60.1-43.8172.400000111.5V145 A149 G196 M197 S198 I202 A203 L204V145-A200 HydrophobicContact CB-CB 4.43Å; V145-A200 HydrophobicContact CG1-CB 3.93Å; V145-A200 WeakPolarHBondContact O-CB 3.36Å; A149-A200 HydrophobicContact CB-CB 4.24Å; G196-A200 PolarHBondContact O-N 2.93Å; M197-A200 PolarHBondContact O-N 3.45Å; S198-A200 PolarHBondContact O-N 3Å; A200-I202 VanDerWaalsContact C-N 3.34Å; A200-I202 PolarHBondContact O-N 3.37Å; A200-A203 PolarHBondContact O-N 3.1Å; A200-L204 WeakPolarHBondContact O-CG 3.18Å; A200-L204 PolarHBondContact O-N 2.51Å
201G89.2Confident91.1Very high0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-62-39.6175.700000112.7N168 M197 S198 L199 N205N168-G201 VanDerWaalsContact ND2-C 3.31Å; N168-G201 VanDerWaalsContact ND2-CA 3.3Å; N168-G201 WeakPolarHBondContact ND2-CA 3.39Å; M197-G201 PolarHBondContact O-N 3.18Å; S198-G201 CarbonylContact O-C 3.44Å; S198-G201 WeakPolarHBondContact O-CA 3.35Å; S198-G201 PolarHBondContact O-N 3.33Å; S198-G201 VanDerWaalsContact O-N 3.15Å; L199-G201 VanDerWaalsContact C-N 3.3Å; L199-G201 PolarHBondContact O-N 2.86Å; G201-N205 VanDerWaalsContact O-CB 3.28Å; G201-N205 WeakPolarHBondContact O-CB 3.16Å; G201-N205 PolarHBondContact O-N 3.22Å; G201-N205 VanDerWaalsContact O-N 3.13Å; G201-N205 PolarHBondContact O-ND2 3.19Å
202I92.4Very high90.6Very high0 Ų021.1 Ų21.10%012%0.117CC..Hα-helixtrans-62-52.4173.8-67.3164.4000110.1L28 N168 Y169 T172 S198 L199 A200 L204 N205 C206 F258L28-I202 HydrophobicContact CD2-CG2 4.27Å; N168-I202 HydrophobicContact CB-CD1 4.3Å; N168-I202 HydrophobicContact CB-CG1 3.68Å; Y169-I202 HydrophobicContact CD1-CD1 3.55Å; Y169-I202 HydrophobicContact CD1-CG1 3.85Å; Y169-I202 HydrophobicContact CE1-CB 4.43Å; Y169-I202 HydrophobicContact CE1-CD1 3.82Å; Y169-I202 HydrophobicContact CE1-CG1 3.82Å; Y169-I202 HydrophobicContact CE1-CG2 3.71Å; T172-I202 WeakPolarHBondContact OG1-CD1 3.42Å; S198-I202 WeakPolarHBondContact O-CG1 3.45Å; S198-I202 PolarHBondContact O-N 3.11Å; L199-I202 HydrophobicContact CD1-CD1 4.3Å; L199-I202 PolarHBondContact O-N 3.41Å; A200-I202 VanDerWaalsContact C-N 3.34Å; A200-I202 PolarHBondContact O-N 3.37Å; I202-L204 PolarHBondContact O-N 3.07Å; I202-N205 PolarHBondContact O-N 3.48Å; I202-C206 WeakPolarHBondContact O-CB 3.48Å; I202-C206 PolarHBondContact O-N 3.21Å; I202-C206 PolarHBondContact O-SG 2.89Å; I202-F258 HydrophobicContact CD1-CD1 4.25Å; I202-F258 HydrophobicContact CD1-CE1 3.91Å
203A88.6Confident90.3Very high29 Ų2921.2 Ų21.224%0.2412%0.117CC..Hα-helixtrans-54.9-50.6-177.700000112.5M31 L199 A200 M207M31-A203 HydrophobicContact CE-CB 4Å; M31-A203 HydrophobicContact SD-CB 3.61Å; L199-A203 PolarHBondContact O-N 3.01Å; A200-A203 PolarHBondContact O-N 3.1Å; A203-M207 WeakPolarHBondContact O-CB 3.22Å; A203-M207 PolarHBondContact O-N 3.06Å
204L85.7Confident89.8Confident70 Ų7019.4 Ų19.437%0.36611%0.108SC..Hα-helixtrans-66.3-46.5-177.1-69.2173.1000112.2A149 A200 I202 T208A149-L204 HydrophobicContact CB-CD1 3.83Å; A200-L204 WeakPolarHBondContact O-CG 3.18Å; A200-L204 PolarHBondContact O-N 2.51Å; I202-L204 PolarHBondContact O-N 3.07Å; L204-T208 WeakPolarHBondContact O-CB 3.27Å; L204-T208 PolarHBondContact O-N 3.39Å; L204-T208 PolarHBondContact O-OG1 3.45Å
205N89.3Confident89.2Confident4 Ų416 Ų162%0.0219%0.09CC..Hα-helixtrans-76.5-33.5-174.6-73.3-73.6000112.4A156 V164 L165 G201 I202 L209A156-N205 WeakPolarHBondContact CB-OD1 3.38Å; V164-N205 WeakPolarHBondContact CG1-ND2 3.36Å; L165-N205 HydrophobicContact CD1-CB 4.09Å; L165-N205 HydrophobicContact CD2-CB 3.54Å; L165-N205 HydrophobicContact CG-CB 3.55Å; G201-N205 VanDerWaalsContact O-CB 3.28Å; G201-N205 WeakPolarHBondContact O-CB 3.16Å; G201-N205 PolarHBondContact O-N 3.22Å; G201-N205 VanDerWaalsContact O-N 3.13Å; G201-N205 PolarHBondContact O-ND2 3.19Å; I202-N205 PolarHBondContact O-N 3.48Å; N205-L209 WeakPolarHBondContact O-CB 3.15Å; N205-L209 PolarHBondContact O-N 3.17Å
206C90.1Very high88.5Confident0 Ų020.3 Ų20.30%011%0.112CC..Hα-helixtrans-62.8-46.8172.5-760000111V24 L28 L165 Y169 I202 N210V24-C206 HydrophobicContact CG1-CB 3.6Å; L28-C206 HydrophobicContact CD1-CB 4.4Å; L28-C206 HydrophobicContact CD2-CB 4.08Å; L165-C206 VanDerWaalsContact CD2-SG 3.51Å; Y169-C206 PolarHBondContact OH-SG 2.94Å; Y169-C206 VanDerWaalsContact OH-SG 3.33Å; I202-C206 WeakPolarHBondContact O-CB 3.48Å; I202-C206 PolarHBondContact O-N 3.21Å; I202-C206 PolarHBondContact O-SG 2.89Å; C206-N210 WeakPolarHBondContact O-CB 3.46Å; C206-N210 PolarHBondContact O-N 3.33Å; C206-N210 VanDerWaalsContact O-N 3.11Å; C206-N210 PolarHBondContact O-ND2 2.77Å
207M85.2Confident87.7Confident73 Ų7326.6 Ų26.636%0.3614%0.141SC..Hα-helixtrans-61.3-50.3177.8-177.461.8-179.800111.1A203 L209 N210 V211 I226A203-M207 WeakPolarHBondContact O-CB 3.22Å; A203-M207 PolarHBondContact O-N 3.06Å; M207-L209 PolarHBondContact O-N 2.92Å; M207-N210 PolarHBondContact O-N 3.12Å; M207-V211 HydrophobicContact CE-CG2 3.78Å; M207-V211 VanDerWaalsContact O-CG2 3.3Å; M207-V211 WeakPolarHBondContact O-CG2 3.15Å; M207-V211 PolarHBondContact O-N 2.95Å; M207-V211 HydrophobicContact SD-CG2 4.18Å; M207-I226 HydrophobicContact SD-CD1 3.52Å; M207-I226 VanDerWaalsContact SD-CD1 3.52Å
208T85.2Confident87.1Confident51 Ų5126.4 Ų26.431%0.31314%0.142SC..Hα-helixtrans-61.7-46.9-178.3-56.20000111.6R161 L204 N210 V211 E212R161-T208 HydrophobicContact CG-CG2 4.3Å; L204-T208 WeakPolarHBondContact O-CB 3.27Å; L204-T208 PolarHBondContact O-N 3.39Å; L204-T208 PolarHBondContact O-OG1 3.45Å; T208-N210 VanDerWaalsContact C-N 3.34Å; T208-N210 PolarHBondContact O-N 3.08Å; T208-V211 PolarHBondContact O-N 3.44Å; T208-E212 HydrophobicContact CG2-CG 4.15Å; T208-E212 WeakPolarHBondContact CG2-OE1 3.49Å; T208-E212 WeakPolarHBondContact O-CB 3.47Å; T208-E212 VanDerWaalsContact O-CG 3.29Å; T208-E212 WeakPolarHBondContact O-CG 3.47Å; T208-E212 PolarHBondContact O-N 3.3Å
209L88.9Confident86.5Confident0 Ų028.8 Ų28.80%015%0.151CC..Hα-helixtrans-63.2-39.4-179.2-175.864.3000112.1V24 R161 L165 N205 M207 W213 F268V24-L209 HydrophobicContact CG2-CD2 4.3Å; R161-L209 HydrophobicContact CB-CD1 4.47Å; L165-L209 HydrophobicContact CD1-CD2 3.76Å; N205-L209 WeakPolarHBondContact O-CB 3.15Å; N205-L209 PolarHBondContact O-N 3.17Å; M207-L209 PolarHBondContact O-N 2.92Å; L209-W213 PolarHBondContact O-N 3.39Å; L209-F268 HydrophobicContact CD2-CD2 4.43Å
210N87.8Confident85.7Confident1 Ų132 Ų321%0.00518%0.178CC..Hα-helixtrans-63.1-51.4174.8-81.4-51.2000111.2V21 V24 C206 M207 T208 E212 W213 M214 V222 I226V21-N210 WeakPolarHBondContact CA-OD1 3.46Å; V21-N210 WeakPolarHBondContact CG2-OD1 3.43Å; V24-N210 WeakPolarHBondContact CG1-ND2 3.35Å; C206-N210 WeakPolarHBondContact O-CB 3.46Å; C206-N210 PolarHBondContact O-N 3.33Å; C206-N210 VanDerWaalsContact O-N 3.11Å; C206-N210 PolarHBondContact O-ND2 2.77Å; M207-N210 PolarHBondContact O-N 3.12Å; T208-N210 VanDerWaalsContact C-N 3.34Å; T208-N210 PolarHBondContact O-N 3.08Å; N210-E212 VanDerWaalsContact C-N 3.33Å; N210-E212 PolarHBondContact O-N 3Å; N210-W213 PolarHBondContact O-N 3.11Å; N210-M214 VanDerWaalsContact O-CG 3.31Å; N210-M214 WeakPolarHBondContact O-CG 3.4Å; N210-M214 PolarHBondContact O-N 2.89Å; N210-V222 HydrophobicContact CB-CG1 4.16Å; N210-I226 HydrophobicContact CB-CD1 4.42Å
211V85Confident85.3Confident35 Ų3536.1 Ų36.121%0.21221%0.206CC..Hα-helixtrans-62.9-38.6-177.3171.10000112.3M207 T208 W213 M214 R219M207-V211 HydrophobicContact CE-CG2 3.78Å; M207-V211 VanDerWaalsContact O-CG2 3.3Å; M207-V211 WeakPolarHBondContact O-CG2 3.15Å; M207-V211 PolarHBondContact O-N 2.95Å; M207-V211 HydrophobicContact SD-CG2 4.18Å; T208-V211 PolarHBondContact O-N 3.44Å; V211-W213 VanDerWaalsContact C-N 3.28Å; V211-W213 PolarHBondContact O-N 3.06Å; V211-M214 PolarHBondContact O-N 3.05Å; V211-R219 HydrophobicContact CG1-CG 3.93Å; V211-R219 PolarHBondContact O-NE 2.92Å; V211-R219 VanDerWaalsContact O-NE 3.1Å
212E86.3Confident85Confident22 Ų2236.9 Ų36.910%0.10321%0.211CC..Hα-helixtrans-67.4-27.3-179.1-75.5177.1165.900112.9R161 T208 N210 S271R161-E212 IonicContact CZ-OE1 3.17Å; R161-E212 IonicContact NE-OE1 2.77Å; R161-E212 PolarHBondContact NE-OE1 3.48Å; R161-E212 IonicContact NE-OE2 3.18Å; R161-E212 PolarHBondContact NE-OE2 3.3Å; R161-E212 VanDerWaalsContact NE-OE2 3.1Å; R161-E212 IonicContact NH2-OE1 2.72Å; R161-E212 PolarHBondContact NH2-OE1 2.94Å; T208-E212 HydrophobicContact CG2-CG 4.15Å; T208-E212 WeakPolarHBondContact CG2-OE1 3.49Å; T208-E212 WeakPolarHBondContact O-CB 3.47Å; T208-E212 VanDerWaalsContact O-CG 3.29Å; T208-E212 WeakPolarHBondContact O-CG 3.47Å; T208-E212 PolarHBondContact O-N 3.3Å; N210-E212 VanDerWaalsContact C-N 3.33Å; N210-E212 PolarHBondContact O-N 3Å; E212-S271 VanDerWaalsContact CD-OG 3.31Å; E212-S271 WeakPolarHBondContact OE2-CB 3.29Å; E212-S271 PolarHBondContact OE2-OG 3.36Å
213W86.9Confident84.4Confident2 Ų237.9 Ų37.91%0.00822%0.221CC..Hα-helixtrans-90.6-10174.8-81.6110.7000114.3L7 F16 L209 N210 V211 I269 E270 A272 A287 L288 V291L7-W213 HydrophobicContact CD2-CE3 3.87Å; L7-W213 HydrophobicContact CD2-CZ3 4.07Å; F16-W213 AromaticContact CE1-CD2 3.7Å; F16-W213 HydrophobicContact CE1-CD2 3.7Å; F16-W213 AromaticContact CE1-CE3 3.69Å; F16-W213 HydrophobicContact CE1-CE3 3.69Å; F16-W213 HydrophobicContact CE1-CG 4.14Å; F16-W213 HydrophobicContact CE1-CH2 4.49Å; F16-W213 HydrophobicContact CE1-CZ3 4.11Å; F16-W213 HydrophobicContact CZ-CD2 4.19Å; F16-W213 HydrophobicContact CZ-CE3 4.47Å; F16-W213 HydrophobicContact CZ-CZ2 4.4Å; L209-W213 PolarHBondContact O-N 3.39Å; N210-W213 PolarHBondContact O-N 3.11Å; V211-W213 VanDerWaalsContact C-N 3.28Å; V211-W213 PolarHBondContact O-N 3.06Å; W213-I269 HydrophobicContact CH2-CG2 4.42Å; W213-I269 HydrophobicContact CZ2-CB 4.37Å; W213-I269 HydrophobicContact CZ2-CG2 3.73Å; W213-I269 PolarHBondContact NE1-O 3.44Å; W213-E270 VanDerWaalsContact CZ2-O 3.26Å; W213-E270 WeakPolarHBondContact CZ2-O 3.15Å; W213-E270 PolarHBondContact NE1-O 3.13Å; W213-A272 HydrophobicContact CH2-CB 3.57Å; W213-A272 HydrophobicContact CZ2-CB 3.87Å; W213-A272 HydrophobicContact CZ3-CB 4.16Å; W213-A287 HydrophobicContact CH2-CB 4.3Å; W213-L288 HydrophobicContact CZ3-CD2 4.33Å; W213-V291 HydrophobicContact CE3-CG2 4.34Å; W213-V291 HydrophobicContact CH2-CG2 3.55Å; W213-V291 HydrophobicContact CZ2-CG2 4.33Å; W213-V291 HydrophobicContact CZ3-CB 4.22Å; W213-V291 HydrophobicContact CZ3-CG1 4.34Å; W213-V291 HydrophobicContact CZ3-CG2 3.56Å
214M86.1Confident84Confident3 Ų339.7 Ų39.72%0.01523%0.229CC..SBendtrans-92.2141.3179.1-71.8-47.395.900113.1Q17 V21 N210 V211 R219 V222Q17-M214 HydrophobicContact CB-CE 3.45Å; Q17-M214 VanDerWaalsContact CB-CE 3.45Å; Q17-M214 HydrophobicContact CB-SD 4.19Å; Q17-M214 HydrophobicContact CG-CE 3.38Å; Q17-M214 HydrophobicContact CG-SD 4.31Å; V21-M214 HydrophobicContact CG2-CE 3.72Å; V21-M214 HydrophobicContact CG2-SD 4.03Å; N210-M214 VanDerWaalsContact O-CG 3.31Å; N210-M214 WeakPolarHBondContact O-CG 3.4Å; N210-M214 PolarHBondContact O-N 2.89Å; V211-M214 PolarHBondContact O-N 3.05Å; M214-R219 HydrophobicContact CB-CG 3.94Å; M214-R219 PolarHBondContact O-NE 3.32Å; M214-R219 PolarHBondContact O-NH2 2.93Å; M214-R219 VanDerWaalsContact O-NH2 3.14Å; M214-V222 HydrophobicContact CG-CB 4.49Å; M214-V222 HydrophobicContact CG-CG2 3.92Å; M214-V222 HydrophobicContact SD-CG2 4.2Å
215P83.9Confident84Confident0 Ų040.2 Ų40.20%023%0.232CC..  trans-56.1150.7163.3-23.233.7000112.2N4 V13 H217 T218 R219N4-P215 WeakPolarHBondContact OD1-CA 3.43Å; V13-P215 HydrophobicContact CG2-CG 4.12Å; P215-H217 VanDerWaalsContact C-N 3.3Å; P215-H217 VanDerWaalsContact CB-CE1 3.43Å; P215-H217 WeakPolarHBondContact CB-CE1 3.12Å; P215-H217 PolarHBondContact O-N 2.98Å; P215-T218 PolarHBondContact O-N 3.23Å; P215-T218 PolarHBondContact O-OG1 3.31Å; P215-T218 VanDerWaalsContact O-OG1 3.13Å; P215-R219 WeakPolarHBondContact O-CG 3.17Å; P215-R219 PolarHBondContact O-N 2.7Å
216I80.4Confident83.7Confident91 Ų9141.1 Ų41.147%0.46724%0.236SC..G310 helixtrans-56.5-41.5-172.6-66.5166.4000112.8N4 T218 R219N4-I216 HydrophobicContact CB-CD1 3.72Å; N4-I216 HydrophobicContact CB-CG1 4.12Å; N4-I216 WeakPolarHBondContact OD1-CG1 2.91Å; N4-I216 PolarHBondContact OD1-N 2.86Å; I216-T218 VanDerWaalsContact C-N 3.3Å; I216-T218 PolarHBondContact O-N 3.15Å; I216-R219 PolarHBondContact O-N 3.41Å
217H78.9Confident83.2Confident132 Ų13242.3 Ų42.361%0.61125%0.249SC*.G310 helixtrans-67.9-23.8-176.162.5-86.7000114.2P215P215-H217 VanDerWaalsContact C-N 3.3Å; P215-H217 VanDerWaalsContact CB-CE1 3.43Å; P215-H217 WeakPolarHBondContact CB-CE1 3.12Å; P215-H217 PolarHBondContact O-N 2.98Å
218T81.2Confident83.2Confident29 Ų2942.7 Ų42.718%0.17825%0.247CC..G310 helixtrans-97.5-10.8-179.855.10000114.2V13 P215 I216 A220 C221 V222V13-T218 HydrophobicContact CG2-CG2 3.65Å; P215-T218 PolarHBondContact O-N 3.23Å; P215-T218 PolarHBondContact O-OG1 3.31Å; P215-T218 VanDerWaalsContact O-OG1 3.13Å; I216-T218 VanDerWaalsContact C-N 3.3Å; I216-T218 PolarHBondContact O-N 3.15Å; T218-A220 VanDerWaalsContact C-N 3.3Å; T218-A220 PolarHBondContact O-N 3.45Å; T218-C221 WeakPolarHBondContact O-CB 3.28Å; T218-C221 PolarHBondContact O-N 3.39Å; T218-C221 VanDerWaalsContact O-N 3.15Å; T218-V222 PolarHBondContact O-N 3.19Å; T218-V222 VanDerWaalsContact O-N 3.07Å
219R82.2Confident83.3Confident50 Ų5041.2 Ų41.219%0.18924%0.238CC..Hα-helixtrans-56.5-41.5-177.8-73.4172-178.2-1783113.3V211 M214 P215 I216 V222 G223V211-R219 HydrophobicContact CG1-CG 3.93Å; V211-R219 PolarHBondContact O-NE 2.92Å; V211-R219 VanDerWaalsContact O-NE 3.1Å; M214-R219 HydrophobicContact CB-CG 3.94Å; M214-R219 PolarHBondContact O-NE 3.32Å; M214-R219 PolarHBondContact O-NH2 2.93Å; M214-R219 VanDerWaalsContact O-NH2 3.14Å; P215-R219 WeakPolarHBondContact O-CG 3.17Å; P215-R219 PolarHBondContact O-N 2.7Å; I216-R219 PolarHBondContact O-N 3.41Å; R219-V222 PolarHBondContact O-N 3.08Å; R219-G223 PolarHBondContact O-N 3.23Å
220A76.9Confident83.1Confident76 Ų7643.2 Ų43.263%0.62825%0.246SC*.Hα-helixtrans-61.8-46.9178.400000111.3T218 V222 G223 T224T218-A220 VanDerWaalsContact C-N 3.3Å; T218-A220 PolarHBondContact O-N 3.45Å; A220-V222 PolarHBondContact O-N 3.48Å; A220-G223 PolarHBondContact O-N 2.58Å; A220-T224 PolarHBondContact O-N 3.17Å; A220-T224 PolarHBondContact O-OG1 3.11Å; A220-T224 VanDerWaalsContact O-OG1 3.09Å
221C81.4Confident82.9Confident91 Ų9143.2 Ų43.262%0.61525%0.246SC*.Hα-helixtrans-59.8-45.5177.9-176.80000112.1T218 G223 T224 L225T218-C221 WeakPolarHBondContact O-CB 3.28Å; T218-C221 PolarHBondContact O-N 3.39Å; T218-C221 VanDerWaalsContact O-N 3.15Å; C221-G223 VanDerWaalsContact C-N 3.35Å; C221-G223 PolarHBondContact O-N 3.27Å; C221-T224 PolarHBondContact O-N 3.07Å; C221-L225 WeakPolarHBondContact O-CB 3.2Å; C221-L225 PolarHBondContact O-N 3.16Å
222V83.6Confident83.1Confident15 Ų1546.4 Ų46.49%0.09126%0.261CS..Hα-helixtrans-64.9-38.7177.4176.10000111.8V21 N210 M214 T218 R219 A220 L225 I226V21-V222 HydrophobicContact CG1-CG1 4.21Å; V21-V222 HydrophobicContact CG2-CG1 4.41Å; N210-V222 HydrophobicContact CB-CG1 4.16Å; M214-V222 HydrophobicContact CG-CB 4.49Å; M214-V222 HydrophobicContact CG-CG2 3.92Å; M214-V222 HydrophobicContact SD-CG2 4.2Å; T218-V222 PolarHBondContact O-N 3.19Å; T218-V222 VanDerWaalsContact O-N 3.07Å; R219-V222 PolarHBondContact O-N 3.08Å; A220-V222 PolarHBondContact O-N 3.48Å; V222-L225 PolarHBondContact O-N 3.26Å; V222-I226 HydrophobicContact CG1-CD1 4.09Å; V222-I226 WeakPolarHBondContact O-CG1 3.35Å; V222-I226 PolarHBondContact O-N 3.43Å
223G79.7Confident83.2Confident21 Ų2145.3 Ų45.322%0.21626%0.256CS..Hα-helixtrans-61.4-44173.700000112.8R219 A220 C221 I226 G227R219-G223 PolarHBondContact O-N 3.23Å; A220-G223 PolarHBondContact O-N 2.58Å; C221-G223 VanDerWaalsContact C-N 3.35Å; C221-G223 PolarHBondContact O-N 3.27Å; G223-I226 PolarHBondContact O-N 2.94Å; G223-G227 PolarHBondContact O-N 2.99Å; G223-G227 VanDerWaalsContact O-N 3.11Å
224T79.9Confident83Confident68 Ų6845.4 Ų45.442%0.41726%0.256SS..Hα-helixtrans-64.4-42.9175.5-54.30000111.7A220 C221 I226 G227 Y228A220-T224 PolarHBondContact O-N 3.17Å; A220-T224 PolarHBondContact O-OG1 3.11Å; A220-T224 VanDerWaalsContact O-OG1 3.09Å; C221-T224 PolarHBondContact O-N 3.07Å; T224-I226 VanDerWaalsContact C-N 3.34Å; T224-I226 PolarHBondContact O-N 3.36Å; T224-G227 WeakPolarHBondContact O-CA 3.48Å; T224-G227 PolarHBondContact O-N 2.99Å; T224-G227 VanDerWaalsContact O-N 3.1Å; T224-Y228 HydrophobicContact CG2-CD2 3.91Å; T224-Y228 HydrophobicContact CG2-CE2 3.44Å; T224-Y228 VanDerWaalsContact CG2-CE2 3.44Å; T224-Y228 WeakPolarHBondContact O-CD2 3.24Å; T224-Y228 PolarHBondContact O-N 2.88Å
225L85Confident83Confident81 Ų8147.6 Ų47.642%0.42427%0.266SS..Hα-helixtrans-57.7-46175.7177.763.6000111.7C221 V222 G227 Y228 V229C221-L225 WeakPolarHBondContact O-CB 3.2Å; C221-L225 PolarHBondContact O-N 3.16Å; V222-L225 PolarHBondContact O-N 3.26Å; L225-G227 VanDerWaalsContact C-N 3.28Å; L225-G227 PolarHBondContact O-N 3.49Å; L225-Y228 PolarHBondContact O-N 2.73Å; L225-Y228 VanDerWaalsContact O-N 3.16Å; L225-V229 HydrophobicContact CD1-CG2 4.29Å; L225-V229 HydrophobicContact CG-CG2 4.41Å; L225-V229 WeakPolarHBondContact O-CG2 3.45Å; L225-V229 PolarHBondContact O-N 2.92Å
226I83.5Confident83.2Confident22 Ų2251.5 Ų51.511%0.11329%0.287CS..Hα-helixtrans-56.6-44.2174.5-75163.4000111V25 L28 M207 N210 V222 G223 T224 Y228 V229 Y230V25-I226 HydrophobicContact CG2-CD1 4.43Å; V25-I226 HydrophobicContact CG2-CG1 3.76Å; L28-I226 HydrophobicContact CD1-CB 4.41Å; L28-I226 HydrophobicContact CD1-CG1 4.11Å; L28-I226 HydrophobicContact CD1-CG2 3.65Å; M207-I226 HydrophobicContact SD-CD1 3.52Å; M207-I226 VanDerWaalsContact SD-CD1 3.52Å; N210-I226 HydrophobicContact CB-CD1 4.42Å; V222-I226 HydrophobicContact CG1-CD1 4.09Å; V222-I226 WeakPolarHBondContact O-CG1 3.35Å; V222-I226 PolarHBondContact O-N 3.43Å; G223-I226 PolarHBondContact O-N 2.94Å; T224-I226 VanDerWaalsContact C-N 3.34Å; T224-I226 PolarHBondContact O-N 3.36Å; I226-Y228 VanDerWaalsContact C-N 3.33Å; I226-Y228 PolarHBondContact O-N 2.98Å; I226-V229 PolarHBondContact O-N 3.24Å; I226-Y230 PolarHBondContact O-N 3.23Å
227G80.1Confident83.6Confident26 Ų2647.2 Ų47.227%0.26827%0.265SS..Hα-helixtrans-62.5-36.5177.200000113.7G223 T224 L225 S231G223-G227 PolarHBondContact O-N 2.99Å; G223-G227 VanDerWaalsContact O-N 3.11Å; T224-G227 WeakPolarHBondContact O-CA 3.48Å; T224-G227 PolarHBondContact O-N 2.99Å; T224-G227 VanDerWaalsContact O-N 3.1Å; L225-G227 VanDerWaalsContact C-N 3.28Å; L225-G227 PolarHBondContact O-N 3.49Å; G227-S231 PolarHBondContact O-N 3.47Å; G227-S231 PolarHBondContact O-OG 2.96Å
228Y84.1Confident84.2Confident81 Ų8141.1 Ų41.132%0.31824%0.237SC..Hα-helixtrans-73.1-40175.7-72.7-45.7000112.9T224 L225 I226 Y230 S231 L232 L379T224-Y228 HydrophobicContact CG2-CD2 3.91Å; T224-Y228 HydrophobicContact CG2-CE2 3.44Å; T224-Y228 VanDerWaalsContact CG2-CE2 3.44Å; T224-Y228 WeakPolarHBondContact O-CD2 3.24Å; T224-Y228 PolarHBondContact O-N 2.88Å; L225-Y228 PolarHBondContact O-N 2.73Å; L225-Y228 VanDerWaalsContact O-N 3.16Å; I226-Y228 VanDerWaalsContact C-N 3.33Å; I226-Y228 PolarHBondContact O-N 2.98Å; Y228-Y230 VanDerWaalsContact C-N 3.25Å; Y228-Y230 PolarHBondContact O-N 2.88Å; Y228-S231 PolarHBondContact O-N 2.82Å; Y228-S231 VanDerWaalsContact O-N 3.13Å; Y228-L232 PolarHBondContact O-N 3.37Å; Y228-L379 HydrophobicContact CD1-CD2 3.36Å; Y228-L379 HydrophobicContact CE1-CD2 3.9Å; Y228-L379 HydrophobicContact CG-CD2 4.34Å
229V87.8Confident84.6Confident20 Ų2041.9 Ų41.912%0.12125%0.251CS..Hα-helixtrans-59.5-40.8174.4171.90000110.1V25 L28 L29 L225 I226 S231 L232 G233V25-V229 HydrophobicContact CG1-CB 3.87Å; V25-V229 HydrophobicContact CG1-CG1 3.65Å; V25-V229 HydrophobicContact CG1-CG2 3.44Å; V25-V229 VanDerWaalsContact CG1-CG2 3.44Å; L28-V229 HydrophobicContact CB-CG1 4.29Å; L29-V229 HydrophobicContact CD2-CB 4.48Å; L29-V229 HydrophobicContact CD2-CG1 3.52Å; L29-V229 WeakPolarHBondContact CD2-O 3.31Å; L29-V229 HydrophobicContact CG-CG1 3.62Å; L225-V229 HydrophobicContact CD1-CG2 4.29Å; L225-V229 HydrophobicContact CG-CG2 4.41Å; L225-V229 WeakPolarHBondContact O-CG2 3.45Å; L225-V229 PolarHBondContact O-N 2.92Å; I226-V229 PolarHBondContact O-N 3.24Å; V229-S231 PolarHBondContact O-N 3.29Å; V229-L232 PolarHBondContact O-N 3.3Å; V229-G233 PolarHBondContact O-N 3.2Å
230Y84.5Confident85Confident42 Ų4241.3 Ų41.317%0.16525%0.252CS..Hα-helixtrans-59.6-45.6174.2-171.6-95.4000112.6M31 A32 N35 I226 Y228 L232 G233 Q234M31-Y230 HydrophobicContact CE-CD2 3.5Å; M31-Y230 VanDerWaalsContact CE-CD2 3.5Å; M31-Y230 HydrophobicContact CE-CE2 3.6Å; M31-Y230 HydrophobicContact CG-CE2 4.26Å; A32-Y230 VanDerWaalsContact CA-CE2 3.48Å; A32-Y230 HydrophobicContact CB-CD1 4.32Å; A32-Y230 HydrophobicContact CB-CD2 3.79Å; A32-Y230 HydrophobicContact CB-CE1 4.19Å; A32-Y230 HydrophobicContact CB-CE2 3.65Å; A32-Y230 HydrophobicContact CB-CG 4.14Å; A32-Y230 WeakPolarHBondContact CB-O 3.41Å; N35-Y230 PolarHBondContact ND2-OH 3.5Å; I226-Y230 PolarHBondContact O-N 3.23Å; Y228-Y230 VanDerWaalsContact C-N 3.25Å; Y228-Y230 PolarHBondContact O-N 2.88Å; Y230-L232 PolarHBondContact O-N 3.35Å; Y230-G233 PolarHBondContact O-N 3.3Å; Y230-Q234 PolarHBondContact O-N 2.9Å
231S84.6Confident85.7Confident0 Ų037.7 Ų37.70%022%0.223CC..Hα-helixtrans-63.6-40.1176-63.30000111.8G227 Y228 V229 G233 Q234 F235 D378 K382G227-S231 PolarHBondContact O-N 3.47Å; G227-S231 PolarHBondContact O-OG 2.96Å; Y228-S231 PolarHBondContact O-N 2.82Å; Y228-S231 VanDerWaalsContact O-N 3.13Å; V229-S231 PolarHBondContact O-N 3.29Å; S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact O-N 2.97Å; S231-Q234 WeakPolarHBondContact O-CB 3.3Å; S231-Q234 PolarHBondContact O-N 3.49Å; S231-Q234 VanDerWaalsContact O-N 3.1Å; S231-F235 VanDerWaalsContact O-CD2 3.28Å; S231-F235 WeakPolarHBondContact O-CD2 3.45Å; S231-F235 PolarHBondContact O-N 3.44Å; S231-D378 PolarHBondContact OG-OD2 2.89Å; S231-K382 PolarHBondContact OG-NZ 3.45Å
232L87.4Confident86.2Confident102 Ų10241.6 Ų41.653%0.53423%0.226SC..Hα-helixtrans-60.6-35.9173.9-17561.5000112.3L29 Y228 V229 Y230 Q234 F235 L236L29-L232 HydrophobicContact CD2-CB 4.05Å; L29-L232 HydrophobicContact CD2-CD2 3.97Å; L29-L232 HydrophobicContact CD2-CG 4.04Å; Y228-L232 PolarHBondContact O-N 3.37Å; V229-L232 PolarHBondContact O-N 3.3Å; Y230-L232 PolarHBondContact O-N 3.35Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; L232-Q234 PolarHBondContact O-N 2.88Å; L232-F235 WeakPolarHBondContact O-CB 3.41Å; L232-F235 PolarHBondContact O-N 2.69Å; L232-L236 PolarHBondContact O-N 3.09Å
233G88.4Confident86.6Confident0 Ų044.5 Ų44.50%025%0.251CS..Hα-helixtrans-60.3-38.9172.700000113.6L29 V229 Y230 S231 F235 L236 L237L29-G233 WeakPolarHBondContact O-CA 3.28Å; V229-G233 PolarHBondContact O-N 3.2Å; Y230-G233 PolarHBondContact O-N 3.3Å; S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact O-N 2.97Å; G233-F235 VanDerWaalsContact C-N 3.32Å; G233-F235 PolarHBondContact O-N 2.96Å; G233-L236 PolarHBondContact O-N 2.93Å; G233-L237 PolarHBondContact O-N 2.92Å
234Q83.9Confident87.2Confident3 Ų345.5 Ų45.51%0.01425%0.253CS..Hα-helixtrans-63.8-37.6175.9-68.1-159.1-34.600112.5A32 Y230 S231 L232 A238A32-Q234 HydrophobicContact CB-CG 3.88Å; Y230-Q234 PolarHBondContact O-N 2.9Å; S231-Q234 WeakPolarHBondContact O-CB 3.3Å; S231-Q234 PolarHBondContact O-N 3.49Å; S231-Q234 VanDerWaalsContact O-N 3.1Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; L232-Q234 PolarHBondContact O-N 2.88Å; Q234-A238 PolarHBondContact O-N 3.43Å
235F85.7Confident87.6Confident50 Ų5044.2 Ų44.222%0.21925%0.246CC..Hα-helixtrans-64.9-47173.4-77.8-78.3000112.3S231 L232 G233 L237 A238 G239 V372 G375 A376 L379S231-F235 VanDerWaalsContact O-CD2 3.28Å; S231-F235 WeakPolarHBondContact O-CD2 3.45Å; S231-F235 PolarHBondContact O-N 3.44Å; L232-F235 WeakPolarHBondContact O-CB 3.41Å; L232-F235 PolarHBondContact O-N 2.69Å; G233-F235 VanDerWaalsContact C-N 3.32Å; G233-F235 PolarHBondContact O-N 2.96Å; F235-L237 VanDerWaalsContact C-N 3.26Å; F235-L237 PolarHBondContact O-N 3.24Å; F235-A238 WeakPolarHBondContact O-CB 3.3Å; F235-A238 PolarHBondContact O-N 3.31Å; F235-A238 VanDerWaalsContact O-N 3.11Å; F235-G239 PolarHBondContact O-N 3.13Å; F235-V372 HydrophobicContact CD1-CG1 4.03Å; F235-V372 HydrophobicContact CE1-CG1 3.95Å; F235-V372 VanDerWaalsContact CE1-O 3.23Å; F235-V372 WeakPolarHBondContact CE1-O 3.32Å; F235-G375 VanDerWaalsContact CE2-O 3.25Å; F235-G375 WeakPolarHBondContact CE2-O 3.07Å; F235-A376 HydrophobicContact CE1-CB 3.68Å; F235-A376 HydrophobicContact CZ-CB 3.45Å; F235-A376 VanDerWaalsContact CZ-CB 3.45Å; F235-L379 HydrophobicContact CE2-CD1 4.04Å
236L88.1Confident87.9Confident82 Ų8242.7 Ų42.743%0.42924%0.237SC..Hα-helixtrans-58.9-40.9-179.9-176.864.9000111L30 L232 G233 A238 G239 V240L30-L236 HydrophobicContact CD2-CD2 4.46Å; L232-L236 PolarHBondContact O-N 3.09Å; G233-L236 PolarHBondContact O-N 2.93Å; L236-A238 VanDerWaalsContact C-N 3.31Å; L236-A238 PolarHBondContact O-N 3.47Å; L236-G239 PolarHBondContact O-N 2.89Å; L236-V240 HydrophobicContact CD1-CG2 4.34Å; L236-V240 HydrophobicContact CG-CG2 4.29Å; L236-V240 VanDerWaalsContact O-CG2 3.29Å; L236-V240 WeakPolarHBondContact O-CG2 3.37Å; L236-V240 PolarHBondContact O-N 2.96Å
237L89.2Confident88.4Confident1 Ų141.7 Ų41.71%0.00523%0.231CC..Hα-helixtrans-56.2-43.9175.8175.866.3000112.2T36 F40 G233 F235 G239 V240 A241 I254T36-L237 WeakPolarHBondContact OG1-CD2 3.39Å; F40-L237 HydrophobicContact CD2-CD2 4Å; F40-L237 HydrophobicContact CD2-CG 4.17Å; F40-L237 HydrophobicContact CE2-CD2 3.74Å; F40-L237 HydrophobicContact CE2-CG 3.88Å; G233-L237 PolarHBondContact O-N 2.92Å; F235-L237 VanDerWaalsContact C-N 3.26Å; F235-L237 PolarHBondContact O-N 3.24Å; L237-G239 VanDerWaalsContact C-N 3.35Å; L237-G239 PolarHBondContact O-N 3.31Å; L237-V240 PolarHBondContact O-N 2.95Å; L237-A241 VanDerWaalsContact O-CB 3.25Å; L237-A241 WeakPolarHBondContact O-CB 3.24Å; L237-A241 PolarHBondContact O-N 3.47Å; L237-I254 HydrophobicContact CD1-CD1 3.5Å; L237-I254 HydrophobicContact CD1-CG1 4.5Å
238A90.3Very high89.1Confident3 Ų343.1 Ų43.13%0.02523%0.229CC..Hα-helixtrans-61.8-43.6-177.800000111.8Q234 F235 L236 Y242 Q371 V372Q234-A238 PolarHBondContact O-N 3.43Å; F235-A238 WeakPolarHBondContact O-CB 3.3Å; F235-A238 PolarHBondContact O-N 3.31Å; F235-A238 VanDerWaalsContact O-N 3.11Å; L236-A238 VanDerWaalsContact C-N 3.31Å; L236-A238 PolarHBondContact O-N 3.47Å; A238-Y242 WeakPolarHBondContact O-CB 3.14Å; A238-Y242 PolarHBondContact O-N 2.86Å; A238-Q371 HydrophobicContact CB-CB 4.06Å; A238-Q371 HydrophobicContact CB-CG 3.81Å; A238-V372 HydrophobicContact CB-CG2 3.58Å
239G90.4Very high89.6Confident46 Ų4644.4 Ų44.447%0.47424%0.237SC..Hα-helixtrans-65.5-42.5176.100000112.6F235 L236 L237 Y242 A243F235-G239 PolarHBondContact O-N 3.13Å; L236-G239 PolarHBondContact O-N 2.89Å; L237-G239 VanDerWaalsContact C-N 3.35Å; L237-G239 PolarHBondContact O-N 3.31Å; G239-Y242 PolarHBondContact O-N 3.15Å; G239-A243 PolarHBondContact O-N 3.39Å
240V91.6Very high89.9Confident37 Ų3743.5 Ų43.522%0.22423%0.232CC..Hα-helixtrans-65.2-42.2177.5174.30000111.6L236 L237 Y242 A243 V244 L250 L253L236-V240 HydrophobicContact CD1-CG2 4.34Å; L236-V240 HydrophobicContact CG-CG2 4.29Å; L236-V240 VanDerWaalsContact O-CG2 3.29Å; L236-V240 WeakPolarHBondContact O-CG2 3.37Å; L236-V240 PolarHBondContact O-N 2.96Å; L237-V240 PolarHBondContact O-N 2.95Å; V240-Y242 VanDerWaalsContact C-N 3.29Å; V240-Y242 PolarHBondContact O-N 2.88Å; V240-A243 PolarHBondContact O-N 2.83Å; V240-V244 PolarHBondContact O-N 3.48Å; V240-L250 HydrophobicContact CG1-CD1 3.79Å; V240-L253 HydrophobicContact CG1-CD2 3.4Å; V240-L253 HydrophobicContact CG1-CG 4.17Å
241A91Very high90.4Very high0 Ų041.5 Ų41.50%022%0.224CC..Hα-helixtrans-67.7-29.4178.200000112.7F40 L237 V244 P245 L250 Y368F40-A241 HydrophobicContact CB-CB 4.15Å; F40-A241 HydrophobicContact CD1-CB 3.59Å; F40-A241 HydrophobicContact CD2-CB 3.9Å; F40-A241 HydrophobicContact CE1-CB 3.93Å; F40-A241 HydrophobicContact CE2-CB 4.19Å; F40-A241 HydrophobicContact CG-CB 3.59Å; F40-A241 HydrophobicContact CZ-CB 4.2Å; L237-A241 VanDerWaalsContact O-CB 3.25Å; L237-A241 WeakPolarHBondContact O-CB 3.24Å; L237-A241 PolarHBondContact O-N 3.47Å; A241-V244 CarbonylContact O-C 3.48Å; A241-P245 WeakPolarHBondContact O-CA 3.33Å; A241-L250 HydrophobicContact CB-CD1 4.19Å; A241-L250 HydrophobicContact CB-CD2 3.91Å; A241-Y368 HydrophobicContact CB-CD1 4.27Å; A241-Y368 HydrophobicContact CB-CE1 3.82Å; A241-Y368 VanDerWaalsContact O-CE1 3.3Å; A241-Y368 WeakPolarHBondContact O-CE1 3.13Å; A241-Y368 PolarHBondContact O-OH 3.17Å
242Y91.2Very high90.9Very high174 Ų17443.1 Ų43.168%0.68223%0.232SC*.Hα-helixtrans-71.3-41.9173.3-179.5-99.3000111.4A238 G239 V240 Y368A238-Y242 WeakPolarHBondContact O-CB 3.14Å; A238-Y242 PolarHBondContact O-N 2.86Å; G239-Y242 PolarHBondContact O-N 3.15Å; V240-Y242 VanDerWaalsContact C-N 3.29Å; V240-Y242 PolarHBondContact O-N 2.88Å; Y242-Y368 HydrophobicContact CD2-CD1 4.5Å; Y242-Y368 AromaticContact CD2-CD2 4Å; Y242-Y368 HydrophobicContact CD2-CD2 4Å; Y242-Y368 HydrophobicContact CD2-CE2 4.19Å; Y242-Y368 HydrophobicContact CD2-CG 4.14Å
243A92Very high91.2Very high76 Ų7642.4 Ų42.463%0.62823%0.228SC*.Hα-helixtrans-71.6-33.6178.500000113.1G239 V240G239-A243 PolarHBondContact O-N 3.39Å; V240-A243 PolarHBondContact O-N 2.83Å
244V92.3Very high91.4Very high42 Ų4242.6 Ų42.626%0.25523%0.23SC..  trans-128.181.8-177.9-1720000109.5V240 A241 H246 H249 L253V240-V244 PolarHBondContact O-N 3.48Å; A241-V244 CarbonylContact O-C 3.48Å; V244-H246 VanDerWaalsContact C-N 3.3Å; V244-H246 PolarHBondContact O-N 2.64Å; V244-H249 HydrophobicContact CG1-CB 3.49Å; V244-H249 VanDerWaalsContact CG1-CB 3.49Å; V244-L253 HydrophobicContact CG2-CD2 4.07Å
245P87.8Confident91.9Very high41 Ų4142.5 Ų42.527%0.26623%0.229SC..  trans-77.5-13.5-175.130.2-35.9000113.6P117 A241 W247P117-P245 HydrophobicContact CG-CB 4.45Å; P117-P245 HydrophobicContact CG-CG 4.11Å; A241-P245 WeakPolarHBondContact O-CA 3.33Å; P245-W247 PolarHBondContact O-N 3.49Å
246H92.4Very high92.3Very high49 Ų4943.6 Ų43.623%0.22724%0.24CC..SBendtrans-74.1119.8177.2-171.789.8000111.2P117 S118 V244 R248 H249 L250P117-H246 HydrophobicContact CG-CB 4.23Å; S118-H246 VanDerWaalsContact CB-CE1 3.45Å; S118-H246 WeakPolarHBondContact CB-CE1 3.46Å; S118-H246 WeakPolarHBondContact CB-ND1 3.45Å; V244-H246 VanDerWaalsContact C-N 3.3Å; V244-H246 PolarHBondContact O-N 2.64Å; H246-R248 PolarHBondContact O-N 2.69Å; H246-H249 HydrophobicContact CB-CB 4.48Å; H246-H249 AromaticContact CD2-CD2 3.34Å; H246-H249 PolarHBondContact CD2-CD2 3.4Å; H246-H249 AromaticContact CD2-CG 3.87Å; H246-H249 AromaticContact CD2-NE2 3.87Å; H246-H249 AromaticContact CG-CD2 3.67Å; H246-H249 PolarHBondContact O-N 2.9Å; H246-L250 PolarHBondContact O-N 3.16Å
247W93.6Very high92.6Very high1 Ų141.6 Ų41.60%0.00423%0.232CC..Hα-helixtrans-60.6-38.1-167.379.3-90.6000114.9T41 S118 T119 I120 E123 W124 Y188 P245 L250 Q251T41-W247 HydrophobicContact CG2-CB 3.95Å; S118-W247 PolarHBondContact O-N 3.05Å; S118-W247 PolarHBondContact OG-NE1 2.6Å; T119-W247 VanDerWaalsContact CA-CD1 3.44Å; I120-W247 HydrophobicContact CG2-CD2 3.62Å; I120-W247 HydrophobicContact CG2-CE3 3.6Å; I120-W247 HydrophobicContact CG2-CG 4.18Å; I120-W247 HydrophobicContact CG2-CH2 4.24Å; I120-W247 HydrophobicContact CG2-CZ2 4.24Å; I120-W247 HydrophobicContact CG2-CZ3 3.93Å; E123-W247 VanDerWaalsContact OE2-CE2 3.22Å; E123-W247 WeakPolarHBondContact OE2-CZ2 3.34Å; E123-W247 PolarHBondContact OE2-NE1 3.45Å; W124-W247 AromaticContact CH2-CH2 3.92Å; W124-W247 HydrophobicContact CH2-CH2 3.92Å; W124-W247 HydrophobicContact CH2-CZ2 4.21Å; W124-W247 HydrophobicContact CZ2-CH2 4.38Å; W124-W247 HydrophobicContact CZ2-CZ2 4.43Å; Y188-W247 HydrophobicContact CD2-CH2 4.49Å; Y188-W247 HydrophobicContact CD2-CZ3 4.18Å; Y188-W247 HydrophobicContact CE2-CZ3 4Å; P245-W247 PolarHBondContact O-N 3.49Å; W247-L250 PolarHBondContact O-N 3.09Å; W247-Q251 WeakPolarHBondContact O-CB 3.26Å; W247-Q251 PolarHBondContact O-N 3.49Å
248R95Very high92.9Very high56 Ų5641.6 Ų41.621%0.21123%0.232CC..Hα-helixtrans-64.8-44.4178.7-63.2179.7163.5-114.56.2111.2E123 A180 A182 H246 Q251 L252E123-R248 IonicContact OE1-CZ 3.07Å; E123-R248 IonicContact OE1-NE 2.64Å; E123-R248 PolarHBondContact OE1-NE 3.29Å; E123-R248 IonicContact OE1-NH2 3.22Å; E123-R248 PolarHBondContact OE1-NH2 3.19Å; E123-R248 IonicContact OE2-NE 2.82Å; E123-R248 PolarHBondContact OE2-NE 2.9Å; E123-R248 IonicContact OE2-NH2 2.68Å; A180-R248 WeakPolarHBondContact CB-O 3.41Å; A180-R248 WeakPolarHBondContact O-CG 3.29Å; A180-R248 PolarHBondContact O-NH1 3.02Å; A182-R248 PolarHBondContact O-NH2 3.44Å; H246-R248 PolarHBondContact O-N 2.69Å; R248-Q251 PolarHBondContact O-N 3.34Å; R248-L252 WeakPolarHBondContact O-CG 3.5Å; R248-L252 PolarHBondContact O-N 3.26Å
249H95.1Very high93.2Very high107 Ų10745 Ų4550%0.49525%0.246SC..Hα-helixtrans-68.5-40178.4-63.8-46.4000111.5V244 H246 L252 L253V244-H249 HydrophobicContact CG1-CB 3.49Å; V244-H249 VanDerWaalsContact CG1-CB 3.49Å; H246-H249 HydrophobicContact CB-CB 4.48Å; H246-H249 AromaticContact CD2-CD2 3.34Å; H246-H249 PolarHBondContact CD2-CD2 3.4Å; H246-H249 AromaticContact CD2-CG 3.87Å; H246-H249 AromaticContact CD2-NE2 3.87Å; H246-H249 AromaticContact CG-CD2 3.67Å; H246-H249 PolarHBondContact O-N 2.9Å; H249-L252 PolarHBondContact O-N 3.32Å; H249-L253 VanDerWaalsContact O-CB 3.3Å; H249-L253 WeakPolarHBondContact O-CB 3.39Å; H249-L253 PolarHBondContact O-N 3.42Å
250L94.1Very high93.4Very high2 Ų245.3 Ų45.31%0.0124%0.244CC..Hα-helixtrans-60.1-46.7174.3-177.458.6000111.5V37 F40 T41 V240 A241 H246 W247 L252 L253 I254V37-L250 HydrophobicContact CG2-CD2 4.21Å; V37-L250 HydrophobicContact CG2-CG 4.17Å; F40-L250 HydrophobicContact CB-CD2 3.85Å; T41-L250 HydrophobicContact CG2-CD2 4.15Å; V240-L250 HydrophobicContact CG1-CD1 3.79Å; A241-L250 HydrophobicContact CB-CD1 4.19Å; A241-L250 HydrophobicContact CB-CD2 3.91Å; H246-L250 PolarHBondContact O-N 3.16Å; W247-L250 PolarHBondContact O-N 3.09Å; L250-L252 PolarHBondContact O-N 3.05Å; L250-L253 PolarHBondContact O-N 3.36Å; L250-I254 HydrophobicContact CD1-CD1 3.86Å; L250-I254 HydrophobicContact CD1-CG1 4.46Å; L250-I254 HydrophobicContact CG-CD1 4.02Å; L250-I254 WeakPolarHBondContact O-CD1 3.35Å; L250-I254 VanDerWaalsContact O-CG1 3.31Å; L250-I254 WeakPolarHBondContact O-CG1 3.43Å; L250-I254 PolarHBondContact O-N 3.11Å
251Q94.4Very high93.5Very high0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-62-41.6177.2-177.264.23000111.7G176 A179 A180 W247 R248 S255G176-Q251 WeakPolarHBondContact O-CG 3.48Å; G176-Q251 PolarHBondContact O-NE2 3Å; A179-Q251 HydrophobicContact CB-CG 4.34Å; A180-Q251 HydrophobicContact CB-CB 3.96Å; A180-Q251 HydrophobicContact CB-CG 3.87Å; W247-Q251 WeakPolarHBondContact O-CB 3.26Å; W247-Q251 PolarHBondContact O-N 3.49Å; R248-Q251 PolarHBondContact O-N 3.34Å; Q251-S255 PolarHBondContact NE2-OG 3.3Å; Q251-S255 VanDerWaalsContact O-CB 3.26Å; Q251-S255 WeakPolarHBondContact O-CB 3.37Å; Q251-S255 PolarHBondContact O-N 2.87Å; Q251-S255 VanDerWaalsContact O-N 3.09Å; Q251-S255 PolarHBondContact O-OG 3.02Å
252L94.6Very high93.7Very high34 Ų3446.1 Ų46.118%0.17825%0.245CC..Hα-helixtrans-63.8-47.7174.7-73.9171.1000112.1T177 A180 F181 R248 H249 L250 I254 S255 V256T177-L252 HydrophobicContact CG2-CD2 3.74Å; A180-L252 HydrophobicContact CB-CD1 4.38Å; A180-L252 HydrophobicContact CB-CD2 3.79Å; A180-L252 HydrophobicContact CB-CG 3.59Å; F181-L252 HydrophobicContact CD2-CD2 4.44Å; F181-L252 HydrophobicContact CE2-CD1 4.32Å; F181-L252 HydrophobicContact CE2-CD2 3.7Å; F181-L252 HydrophobicContact CZ-CD1 4Å; F181-L252 HydrophobicContact CZ-CD2 4.22Å; R248-L252 WeakPolarHBondContact O-CG 3.5Å; R248-L252 PolarHBondContact O-N 3.26Å; H249-L252 PolarHBondContact O-N 3.32Å; L250-L252 PolarHBondContact O-N 3.05Å; L252-I254 PolarHBondContact O-N 3.14Å; L252-S255 PolarHBondContact O-N 3.36Å; L252-V256 HydrophobicContact CB-CG2 4.5Å; L252-V256 HydrophobicContact CD2-CG2 4.48Å; L252-V256 WeakPolarHBondContact O-CB 3.42Å; L252-V256 VanDerWaalsContact O-CG2 3.26Å; L252-V256 WeakPolarHBondContact O-CG2 3.37Å; L252-V256 PolarHBondContact O-N 3.44Å
253L93.9Very high93.9Very high86 Ų8642.6 Ų42.645%0.4524%0.237SC..Hα-helixtrans-60.9-33-176.6-17657.7000112.4V240 V244 H249 L250 P257V240-L253 HydrophobicContact CG1-CD2 3.4Å; V240-L253 HydrophobicContact CG1-CG 4.17Å; V244-L253 HydrophobicContact CG2-CD2 4.07Å; H249-L253 VanDerWaalsContact O-CB 3.3Å; H249-L253 WeakPolarHBondContact O-CB 3.39Å; H249-L253 PolarHBondContact O-N 3.42Å; L250-L253 PolarHBondContact O-N 3.36Å; L253-P257 WeakPolarHBondContact O-CD 3.41Å; L253-P257 VanDerWaalsContact O-CG 3.28Å; L253-P257 WeakPolarHBondContact O-CG 3.3Å
254I92.9Very high93.9Very high5 Ų540.9 Ų40.93%0.02621%0.214CC..Hα-helixtrans-82.2-29.5176.7-59.1162.6000111.5H34 V37 L237 L250 L252 F258H34-I254 PolarHBondContact NE2-O 3.43Å; V37-I254 HydrophobicContact CB-CD1 4.15Å; V37-I254 HydrophobicContact CG2-CD1 3.51Å; L237-I254 HydrophobicContact CD1-CD1 3.5Å; L237-I254 HydrophobicContact CD1-CG1 4.5Å; L250-I254 HydrophobicContact CD1-CD1 3.86Å; L250-I254 HydrophobicContact CD1-CG1 4.46Å; L250-I254 HydrophobicContact CG-CD1 4.02Å; L250-I254 WeakPolarHBondContact O-CD1 3.35Å; L250-I254 VanDerWaalsContact O-CG1 3.31Å; L250-I254 WeakPolarHBondContact O-CG1 3.43Å; L250-I254 PolarHBondContact O-N 3.11Å; L252-I254 PolarHBondContact O-N 3.14Å; I254-F258 WeakPolarHBondContact O-CD2 3.34Å; I254-F258 WeakPolarHBondContact O-CE2 3.4Å
255S94.3Very high93.9Very high0 Ų038.9 Ų38.90%020%0.202CC..Hα-helixtrans-87.9-41.1-175.4-550000113.8H34 G176 Q251 L252 P257 F258H34-S255 PolarHBondContact CE1-OG 3.46Å; H34-S255 VanDerWaalsContact CE1-OG 3.3Å; G176-S255 VanDerWaalsContact C-OG 3.26Å; G176-S255 VanDerWaalsContact CA-OG 3.29Å; G176-S255 WeakPolarHBondContact CA-OG 3.47Å; G176-S255 PolarHBondContact O-OG 3.07Å; Q251-S255 PolarHBondContact NE2-OG 3.3Å; Q251-S255 VanDerWaalsContact O-CB 3.26Å; Q251-S255 WeakPolarHBondContact O-CB 3.37Å; Q251-S255 PolarHBondContact O-N 2.87Å; Q251-S255 VanDerWaalsContact O-N 3.09Å; Q251-S255 PolarHBondContact O-OG 3.02Å; L252-S255 PolarHBondContact O-N 3.36Å; S255-P257 VanDerWaalsContact C-CD 3.49Å; S255-F258 WeakPolarHBondContact O-CB 3.43Å; S255-F258 PolarHBondContact O-N 2.8Å
256V94.4Very high94Very high73 Ų7343.9 Ų43.944%0.44222%0.216SC..THydrogen-bonded Turntrans-58.6-39.8-175.6168.90000113.4L252 F258 F259L252-V256 HydrophobicContact CB-CG2 4.5Å; L252-V256 HydrophobicContact CD2-CG2 4.48Å; L252-V256 WeakPolarHBondContact O-CB 3.42Å; L252-V256 VanDerWaalsContact O-CG2 3.26Å; L252-V256 WeakPolarHBondContact O-CG2 3.37Å; L252-V256 PolarHBondContact O-N 3.44Å; V256-F258 PolarHBondContact O-N 3.13Å; V256-F259 WeakPolarHBondContact O-CB 3.42Å; V256-F259 PolarHBondContact O-N 3.34Å
257P94.8Very high93.8Very high41 Ų4149.1 Ų49.127%0.26624%0.238SC..Hα-helixtrans-57.6-23.1176.2-27.536.3000114.2L30 L253 S255 F259 A260 F261L30-P257 HydrophobicContact CD1-CB 3.4Å; L30-P257 HydrophobicContact CD1-CG 3.73Å; L253-P257 WeakPolarHBondContact O-CD 3.41Å; L253-P257 VanDerWaalsContact O-CG 3.28Å; L253-P257 WeakPolarHBondContact O-CG 3.3Å; S255-P257 VanDerWaalsContact C-CD 3.49Å; P257-F259 PolarHBondContact O-N 2.95Å; P257-A260 WeakPolarHBondContact O-CB 3.5Å; P257-A260 PolarHBondContact O-N 3.26Å; P257-A260 VanDerWaalsContact O-N 3.07Å; P257-F261 HydrophobicContact CB-CE2 4.47Å; P257-F261 HydrophobicContact CB-CZ 4.35Å; P257-F261 WeakPolarHBondContact O-CD1 3.2Å; P257-F261 WeakPolarHBondContact O-CG 3.25Å; P257-F261 PolarHBondContact O-N 3.4Å; P257-F261 VanDerWaalsContact O-N 3.11Å
258F94.9Very high93.6Very high0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-66.8-20.3175.1-74.3-92.9000113.4L30 H34 Y169 T172 A173 I202 I254 S255 V256 F261 F262L30-F258 HydrophobicContact CB-CE2 3.75Å; L30-F258 HydrophobicContact CB-CZ 3.98Å; L30-F258 HydrophobicContact CD1-CE2 4.43Å; H34-F258 AromaticContact CD2-CE2 3.48Å; H34-F258 VanDerWaalsContact CD2-CE2 3.48Å; H34-F258 WeakPolarHBondContact CD2-CE2 3.34Å; H34-F258 AromaticContact CD2-CZ 3.97Å; H34-F258 AromaticContact NE2-CD2 3.86Å; H34-F258 AromaticContact NE2-CE2 3.46Å; H34-F258 WeakPolarHBondContact NE2-CE2 3.35Å; Y169-F258 AromaticContact CD1-CD1 3.88Å; Y169-F258 HydrophobicContact CD1-CD1 3.88Å; Y169-F258 HydrophobicContact CD1-CE1 4.27Å; Y169-F258 HydrophobicContact CE1-CD1 4.47Å; Y169-F258 HydrophobicContact CE1-CE1 4.47Å; T172-F258 HydrophobicContact CG2-CD1 3.96Å; T172-F258 HydrophobicContact CG2-CD2 4.12Å; T172-F258 HydrophobicContact CG2-CE1 4.1Å; T172-F258 HydrophobicContact CG2-CE2 4.25Å; T172-F258 HydrophobicContact CG2-CG 3.98Å; T172-F258 HydrophobicContact CG2-CZ 4.24Å; A173-F258 HydrophobicContact CB-CB 3.78Å; I202-F258 HydrophobicContact CD1-CD1 4.25Å; I202-F258 HydrophobicContact CD1-CE1 3.91Å; I254-F258 WeakPolarHBondContact O-CD2 3.34Å; I254-F258 WeakPolarHBondContact O-CE2 3.4Å; S255-F258 WeakPolarHBondContact O-CB 3.43Å; S255-F258 PolarHBondContact O-N 2.8Å; V256-F258 PolarHBondContact O-N 3.13Å; F258-F261 HydrophobicContact CB-CD2 4.42Å; F258-F261 AromaticContact CD1-CD2 3.72Å; F258-F261 HydrophobicContact CD1-CD2 3.72Å; F258-F261 HydrophobicContact CD1-CE2 4.41Å; F258-F261 HydrophobicContact CD2-CD2 4.48Å; F258-F261 HydrophobicContact CE1-CD2 4.01Å; F258-F261 HydrophobicContact CE1-CE2 4.38Å; F258-F261 AromaticContact CG-CD2 3.97Å; F258-F261 HydrophobicContact CG-CD2 3.97Å; F258-F261 HydrophobicContact CZ-CE2 4.47Å; F258-F261 PolarHBondContact O-N 3.28Å; F258-F262 WeakPolarHBondContact O-CB 3.35Å; F258-F262 PolarHBondContact O-N 2.95Å
259F96.2Very high93.2Very high76 Ų7647.4 Ų47.433%0.33323%0.233SC..Hα-helixtrans-66.6-40.1168.6-75.5-71.6000111.7L170 A173 V174 V256 P257 F261 F262 I263L170-F259 HydrophobicContact CD1-CE1 4.47Å; A173-F259 HydrophobicContact CB-CD1 3.84Å; A173-F259 HydrophobicContact CB-CD2 3.82Å; A173-F259 HydrophobicContact CB-CE1 3.84Å; A173-F259 HydrophobicContact CB-CE2 3.81Å; A173-F259 HydrophobicContact CB-CG 3.83Å; A173-F259 HydrophobicContact CB-CZ 3.82Å; V174-F259 HydrophobicContact CG2-CE1 4.33Å; V174-F259 HydrophobicContact CG2-CZ 4.35Å; V256-F259 WeakPolarHBondContact O-CB 3.42Å; V256-F259 PolarHBondContact O-N 3.34Å; P257-F259 PolarHBondContact O-N 2.95Å; F259-F261 VanDerWaalsContact C-N 3.33Å; F259-F262 WeakPolarHBondContact O-CB 3.2Å; F259-F262 PolarHBondContact O-N 2.97Å; F259-I263 WeakPolarHBondContact O-CG1 3.45Å; F259-I263 PolarHBondContact O-N 2.88Å
260A95.4Very high93Very high52 Ų5242.9 Ų42.943%0.4321%0.212SC..Hα-helixtrans-65.1-40.9174.200000110.8P257 F262 I263 Y264P257-A260 WeakPolarHBondContact O-CB 3.5Å; P257-A260 PolarHBondContact O-N 3.26Å; P257-A260 VanDerWaalsContact O-N 3.07Å; A260-F262 VanDerWaalsContact C-N 3.33Å; A260-F262 PolarHBondContact O-N 2.97Å; A260-I263 PolarHBondContact O-N 3.06Å; A260-Y264 WeakPolarHBondContact O-CD1 3.25Å; A260-Y264 PolarHBondContact O-N 3.24Å
261F94.1Very high92.7Very high15 Ų1542.8 Ų42.87%0.06621%0.212CC..Hα-helixtrans-62.9-40.5176.1-57.2-17.2000111.9L26 P27 L30 Y169 P257 F258 F259 Y264 S265L26-F261 HydrophobicContact CD2-CE1 4.15Å; L26-F261 HydrophobicContact CG-CE1 4.42Å; P27-F261 VanDerWaalsContact CA-CE2 3.46Å; P27-F261 HydrophobicContact CB-CD2 3.53Å; P27-F261 HydrophobicContact CB-CE2 3.64Å; P27-F261 HydrophobicContact CB-CG 4.16Å; P27-F261 HydrophobicContact CB-CZ 4.32Å; P27-F261 HydrophobicContact CG-CB 4.26Å; P27-F261 HydrophobicContact CG-CD1 4.18Å; P27-F261 HydrophobicContact CG-CD2 3.68Å; P27-F261 HydrophobicContact CG-CE1 4.38Å; P27-F261 HydrophobicContact CG-CE2 3.95Å; P27-F261 HydrophobicContact CG-CG 3.79Å; P27-F261 HydrophobicContact CG-CZ 4.27Å; L30-F261 HydrophobicContact CD1-CE2 3.78Å; L30-F261 HydrophobicContact CD1-CZ 3.85Å; L30-F261 HydrophobicContact CG-CE2 4.47Å; Y169-F261 HydrophobicContact CD1-CB 4.28Å; Y169-F261 HydrophobicContact CD2-CB 4.47Å; Y169-F261 HydrophobicContact CE1-CB 4.49Å; Y169-F261 HydrophobicContact CG-CB 4.28Å; P257-F261 HydrophobicContact CB-CE2 4.47Å; P257-F261 HydrophobicContact CB-CZ 4.35Å; P257-F261 WeakPolarHBondContact O-CD1 3.2Å; P257-F261 WeakPolarHBondContact O-CG 3.25Å; P257-F261 PolarHBondContact O-N 3.4Å; P257-F261 VanDerWaalsContact O-N 3.11Å; F258-F261 HydrophobicContact CB-CD2 4.42Å; F258-F261 AromaticContact CD1-CD2 3.72Å; F258-F261 HydrophobicContact CD1-CD2 3.72Å; F258-F261 HydrophobicContact CD1-CE2 4.41Å; F258-F261 HydrophobicContact CD2-CD2 4.48Å; F258-F261 HydrophobicContact CE1-CD2 4.01Å; F258-F261 HydrophobicContact CE1-CE2 4.38Å; F258-F261 AromaticContact CG-CD2 3.97Å; F258-F261 HydrophobicContact CG-CD2 3.97Å; F258-F261 HydrophobicContact CZ-CE2 4.47Å; F258-F261 PolarHBondContact O-N 3.28Å; F259-F261 VanDerWaalsContact C-N 3.33Å; F261-Y264 HydrophobicContact CB-CE1 4.23Å; F261-Y264 HydrophobicContact CD1-CD1 4.35Å; F261-Y264 AromaticContact CD1-CE1 3.35Å; F261-Y264 HydrophobicContact CD1-CE1 3.35Å; F261-Y264 AromaticContact CD1-CZ 3.78Å; F261-Y264 HydrophobicContact CE1-CE1 4.08Å; F261-Y264 HydrophobicContact CG-CE1 4.18Å; F261-S265 WeakPolarHBondContact O-CB 3.39Å; F261-S265 PolarHBondContact O-N 3.33Å; F261-S265 PolarHBondContact O-OG 3.11Å
262F95.3Very high92.2Very high38 Ų3842.9 Ų42.917%0.16721%0.212CC..Hα-helixtrans-57.2-50.9172.2167-107.1000111.5I166 L170 F258 F259 A260 S265 W266I166-F262 HydrophobicContact CG2-CD2 3.83Å; I166-F262 HydrophobicContact CG2-CE2 3.52Å; I166-F262 WeakPolarHBondContact O-CD2 3.46Å; L170-F262 HydrophobicContact CB-CD2 3.69Å; L170-F262 HydrophobicContact CB-CE2 3.83Å; L170-F262 HydrophobicContact CB-CG 4.3Å; L170-F262 HydrophobicContact CD1-CD1 4.39Å; L170-F262 HydrophobicContact CD1-CD2 4.44Å; L170-F262 HydrophobicContact CD1-CE1 4.33Å; L170-F262 HydrophobicContact CD1-CE2 4.37Å; L170-F262 HydrophobicContact CD1-CG 4.43Å; L170-F262 HydrophobicContact CD1-CZ 4.31Å; L170-F262 HydrophobicContact CD2-CE2 4.11Å; L170-F262 HydrophobicContact CD2-CZ 4.26Å; L170-F262 HydrophobicContact CG-CE2 4.33Å; F258-F262 WeakPolarHBondContact O-CB 3.35Å; F258-F262 PolarHBondContact O-N 2.95Å; F259-F262 WeakPolarHBondContact O-CB 3.2Å; F259-F262 PolarHBondContact O-N 2.97Å; A260-F262 VanDerWaalsContact C-N 3.33Å; A260-F262 PolarHBondContact O-N 2.97Å; F262-S265 PolarHBondContact O-N 3.03Å; F262-S265 PolarHBondContact O-OG 3.07Å; F262-W266 HydrophobicContact CE1-CZ2 4.07Å; F262-W266 AromaticContact CZ-CZ2 3.82Å; F262-W266 HydrophobicContact CZ-CZ2 3.82Å
263I94.3Very high91.5Very high101 Ų10145.6 Ų45.652%0.51822%0.22SC..Hα-helixtrans-60.4-51.8-178.1-66.5164.4000111.1F259 A260 S265 W266F259-I263 WeakPolarHBondContact O-CG1 3.45Å; F259-I263 PolarHBondContact O-N 2.88Å; A260-I263 PolarHBondContact O-N 3.06Å; I263-S265 VanDerWaalsContact C-N 3.33Å; I263-S265 PolarHBondContact O-N 3.3Å; I263-W266 WeakPolarHBondContact O-CB 3.35Å; I263-W266 PolarHBondContact O-N 3.28Å
264Y92.7Very high91.1Very high40 Ų4041.9 Ų41.916%0.15720%0.2CC..Hα-helixtrans-77.2-19.2-17678.8-116000113.4L23 P27 A260 F261 W266 F267 F268L23-Y264 HydrophobicContact CB-CE2 4.15Å; L23-Y264 HydrophobicContact CD2-CE2 4.35Å; L23-Y264 PolarHBondContact O-OH 3.08Å; P27-Y264 WeakPolarHBondContact CD-OH 3.44Å; P27-Y264 WeakPolarHBondContact CG-OH 3.44Å; A260-Y264 WeakPolarHBondContact O-CD1 3.25Å; A260-Y264 PolarHBondContact O-N 3.24Å; F261-Y264 HydrophobicContact CB-CE1 4.23Å; F261-Y264 HydrophobicContact CD1-CD1 4.35Å; F261-Y264 AromaticContact CD1-CE1 3.35Å; F261-Y264 HydrophobicContact CD1-CE1 3.35Å; F261-Y264 AromaticContact CD1-CZ 3.78Å; F261-Y264 HydrophobicContact CE1-CE1 4.08Å; F261-Y264 HydrophobicContact CG-CE1 4.18Å; Y264-W266 PolarHBondContact O-N 3.16Å; Y264-F267 WeakPolarHBondContact O-CB 3.42Å; Y264-F267 WeakPolarHBondContact O-CD2 3.45Å; Y264-F267 PolarHBondContact O-N 3.43Å; Y264-F268 AromaticContact CD2-CE1 3.86Å; Y264-F268 HydrophobicContact CD2-CE1 3.86Å; Y264-F268 HydrophobicContact CD2-CZ 4.13Å; Y264-F268 AromaticContact CE2-CE1 3.68Å; Y264-F268 HydrophobicContact CE2-CE1 3.68Å; Y264-F268 AromaticContact CE2-CZ 3.6Å; Y264-F268 HydrophobicContact CE2-CZ 3.6Å
265S92.2Very high90.6Very high0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-61-16.6175.869.20000112.9I166 F261 F262 I263 F267 F268I166-S265 VanDerWaalsContact CG1-OG 3.3Å; I166-S265 WeakPolarHBondContact CG1-OG 3.41Å; F261-S265 WeakPolarHBondContact O-CB 3.39Å; F261-S265 PolarHBondContact O-N 3.33Å; F261-S265 PolarHBondContact O-OG 3.11Å; F262-S265 PolarHBondContact O-N 3.03Å; F262-S265 PolarHBondContact O-OG 3.07Å; I263-S265 VanDerWaalsContact C-N 3.33Å; I263-S265 PolarHBondContact O-N 3.3Å; S265-F267 PolarHBondContact O-N 2.94Å; S265-F268 WeakPolarHBondContact O-CB 3.34Å; S265-F268 WeakPolarHBondContact O-CG 3.46Å; S265-F268 PolarHBondContact O-N 3Å; S265-F268 VanDerWaalsContact O-N 3.15Å
266W90.4Very high89.9Confident145 Ų14543 Ų4355%0.54921%0.205SC..THydrogen-bonded Turntrans-63.2-23.1168.7-67-3.1000113.5R162 F262 I263 Y264 F268R162-W266 PolarHBondContact NH2-O 2.67Å; F262-W266 HydrophobicContact CE1-CZ2 4.07Å; F262-W266 AromaticContact CZ-CZ2 3.82Å; F262-W266 HydrophobicContact CZ-CZ2 3.82Å; I263-W266 WeakPolarHBondContact O-CB 3.35Å; I263-W266 PolarHBondContact O-N 3.28Å; Y264-W266 PolarHBondContact O-N 3.16Å; W266-F268 VanDerWaalsContact C-N 3.31Å
267F87.8Confident88.9Confident159 Ų15943.4 Ų43.470%0.69721%0.212SC*.THydrogen-bonded Turntrans-78.7-13.4175-66.2-72.5000113.6Y264 S265Y264-F267 WeakPolarHBondContact O-CB 3.42Å; Y264-F267 WeakPolarHBondContact O-CD2 3.45Å; Y264-F267 PolarHBondContact O-N 3.43Å; S265-F267 PolarHBondContact O-N 2.94Å
268F89Confident88Confident6 Ų643.8 Ų43.83%0.02622%0.215CC..PPolyproline II helixtrans-61145.2-179.4-66.4-10.2000111.6L23 V24 R162 Y169 L209 Y264 S265 W266L23-F268 HydrophobicContact CB-CE1 3.85Å; L23-F268 HydrophobicContact CB-CZ 4.46Å; V24-F268 HydrophobicContact CB-CZ 4.48Å; V24-F268 HydrophobicContact CG2-CD1 4.45Å; V24-F268 HydrophobicContact CG2-CD2 4.32Å; V24-F268 HydrophobicContact CG2-CE1 4Å; V24-F268 HydrophobicContact CG2-CE2 3.84Å; V24-F268 HydrophobicContact CG2-CZ 3.65Å; R162-F268 WeakPolarHBondContact CD-O 3.25Å; R162-F268 HydrophobicContact CG-CB 4.11Å; R162-F268 PolarHBondContact NE-O 3.42Å; R162-F268 PolarHBondContact NH1-O 3.48Å; Y169-F268 HydrophobicContact CE2-CE2 4.1Å; L209-F268 HydrophobicContact CD2-CD2 4.43Å; Y264-F268 AromaticContact CD2-CE1 3.86Å; Y264-F268 HydrophobicContact CD2-CE1 3.86Å; Y264-F268 HydrophobicContact CD2-CZ 4.13Å; Y264-F268 AromaticContact CE2-CE1 3.68Å; Y264-F268 HydrophobicContact CE2-CE1 3.68Å; Y264-F268 AromaticContact CE2-CZ 3.6Å; Y264-F268 HydrophobicContact CE2-CZ 3.6Å; S265-F268 WeakPolarHBondContact O-CB 3.34Å; S265-F268 WeakPolarHBondContact O-CG 3.46Å; S265-F268 PolarHBondContact O-N 3Å; S265-F268 VanDerWaalsContact O-N 3.15Å; W266-F268 VanDerWaalsContact C-N 3.31Å
269I87.5Confident87.2Confident16 Ų1646 Ų468%0.08224%0.239CC..PPolyproline II helixtrans-95.9127.1171.4-53.4-170.1000107.8F16 W213 A287 R290 V291 I294F16-I269 HydrophobicContact CD2-CD1 4.12Å; F16-I269 HydrophobicContact CE2-CB 4.11Å; F16-I269 HydrophobicContact CE2-CD1 3.31Å; F16-I269 HydrophobicContact CE2-CG1 3.71Å; F16-I269 HydrophobicContact CZ-CB 3.94Å; F16-I269 HydrophobicContact CZ-CD1 3.82Å; F16-I269 HydrophobicContact CZ-CG1 4.08Å; W213-I269 HydrophobicContact CH2-CG2 4.42Å; W213-I269 HydrophobicContact CZ2-CB 4.37Å; W213-I269 HydrophobicContact CZ2-CG2 3.73Å; W213-I269 PolarHBondContact NE1-O 3.44Å; I269-A287 HydrophobicContact CG2-CB 4.32Å; I269-R290 HydrophobicContact CD1-CG 4.13Å; I269-V291 HydrophobicContact CD1-CG2 4.22Å; I269-I294 HydrophobicContact CD1-CD1 4.35Å
270E90.6Very high86.5Confident12 Ų1246.8 Ų46.86%0.05624%0.239CC..PPolyproline II helixtrans-60.9153.9176.1-174.860-85.500110.7G160 R161 R162 W213 A272 W274G160-E270 VanDerWaalsContact C-OE2 3.25Å; G160-E270 VanDerWaalsContact CA-OE2 3.31Å; G160-E270 WeakPolarHBondContact CA-OE2 3.33Å; R161-E270 PolarHBondContact N-OE1 3.36Å; R161-E270 PolarHBondContact N-OE2 3.06Å; R161-E270 VanDerWaalsContact N-OE2 3.16Å; R162-E270 HydrophobicContact CB-CB 4.22Å; R162-E270 VanDerWaalsContact CB-OE2 3.26Å; R162-E270 WeakPolarHBondContact CB-OE2 3.26Å; R162-E270 PolarHBondContact N-OE1 3.05Å; R162-E270 VanDerWaalsContact N-OE1 3.08Å; R162-E270 PolarHBondContact N-OE2 2.88Å; W213-E270 VanDerWaalsContact CZ2-O 3.26Å; W213-E270 WeakPolarHBondContact CZ2-O 3.15Å; W213-E270 PolarHBondContact NE1-O 3.13Å; E270-A272 PolarHBondContact O-N 3.44Å; E270-A272 VanDerWaalsContact O-N 3.16Å; E270-W274 HydrophobicContact CG-CE3 3.98Å; E270-W274 HydrophobicContact CG-CZ3 4.13Å
271S87Confident86Confident0 Ų045 Ų450%022%0.223CC..PPolyproline II helixtrans-59.5118179.6174.90000112.8E212 R273 W274 H275E212-S271 VanDerWaalsContact CD-OG 3.31Å; E212-S271 WeakPolarHBondContact OE2-CB 3.29Å; E212-S271 PolarHBondContact OE2-OG 3.36Å; S271-R273 PolarHBondContact O-N 3.23Å; S271-R273 PolarHBondContact OG-N 3.46Å; S271-W274 PolarHBondContact O-N 3.18Å; S271-W274 PolarHBondContact OG-N 3.05Å; S271-W274 VanDerWaalsContact OG-N 3.12Å; S271-H275 PolarHBondContact O-CD2 3.24Å; S271-H275 PolarHBondContact O-N 3.36Å; S271-H275 VanDerWaalsContact O-N 3.11Å
272A83.5Confident85.6Confident1 Ų148.8 Ų48.81%0.00824%0.243CC..Hα-helixtrans-61.6-31.8171.200000111.4F3 W213 E270 H275 S276 T284 A287 L288F3-A272 HydrophobicContact CE2-CB 4.17Å; F3-A272 HydrophobicContact CZ-CB 3.8Å; W213-A272 HydrophobicContact CH2-CB 3.57Å; W213-A272 HydrophobicContact CZ2-CB 3.87Å; W213-A272 HydrophobicContact CZ3-CB 4.16Å; E270-A272 PolarHBondContact O-N 3.44Å; E270-A272 VanDerWaalsContact O-N 3.16Å; A272-H275 PolarHBondContact O-N 3.43Å; A272-S276 WeakPolarHBondContact O-CB 3.12Å; A272-S276 PolarHBondContact O-N 3.37Å; A272-T284 HydrophobicContact CB-CG2 4.34Å; A272-A287 HydrophobicContact CB-CB 4.29Å; A272-L288 HydrophobicContact CB-CD2 4.24Å; A272-L288 HydrophobicContact CB-CG 4.34Å
273R81.2Confident85.2Confident91 Ų9150.1 Ų50.134%0.34325%0.252SS..Hα-helixtrans-66.4-44.4177.3-164.1174.7-173-177.6-1.2111.5F3 S271 S276 S277F3-R273 HydrophobicContact CD1-CB 4.33Å; F3-R273 HydrophobicContact CD1-CG 4.29Å; F3-R273 HydrophobicContact CE1-CB 3.82Å; F3-R273 HydrophobicContact CE1-CG 4.29Å; F3-R273 HydrophobicContact CE2-CB 4.27Å; F3-R273 HydrophobicContact CG-CG 4.49Å; F3-R273 HydrophobicContact CZ-CB 3.8Å; F3-R273 HydrophobicContact CZ-CG 4.5Å; S271-R273 PolarHBondContact O-N 3.23Å; S271-R273 PolarHBondContact OG-N 3.46Å; R273-S276 PolarHBondContact O-N 3.38Å; R273-S276 PolarHBondContact O-OG 3.35Å; R273-S277 PolarHBondContact O-N 2.62Å; R273-S277 PolarHBondContact O-OG 3.39Å
274W83.8Confident84.8Confident9 Ų945.3 Ų45.33%0.03423%0.227CC..Hα-helixtrans-64.4-40.1176.3176.378.3000112.9D157 R158 L159 R161 E270 S271 S276 S277 S278 R280D157-W274 PolarHBondContact O-NE1 3.09Å; R158-W274 WeakPolarHBondContact O-CZ2 3.41Å; L159-W274 VanDerWaalsContact C-CH2 3.45Å; L159-W274 VanDerWaalsContact O-CH2 3.3Å; L159-W274 WeakPolarHBondContact O-CH2 3.29Å; R161-W274 VanDerWaalsContact CZ-CD1 3.44Å; E270-W274 HydrophobicContact CG-CE3 3.98Å; E270-W274 HydrophobicContact CG-CZ3 4.13Å; S271-W274 PolarHBondContact O-N 3.18Å; S271-W274 PolarHBondContact OG-N 3.05Å; S271-W274 VanDerWaalsContact OG-N 3.12Å; W274-S276 VanDerWaalsContact C-N 3.28Å; W274-S276 PolarHBondContact O-N 2.83Å; W274-S277 WeakPolarHBondContact CA-OG 3.44Å; W274-S277 PolarHBondContact O-N 3.43Å; W274-S277 PolarHBondContact O-OG 3.04Å; W274-S277 VanDerWaalsContact O-OG 3.06Å; W274-S278 VanDerWaalsContact O-CB 3.28Å; W274-S278 WeakPolarHBondContact O-CB 3.3Å; W274-S278 PolarHBondContact O-N 3.44Å; W274-S278 PolarHBondContact O-OG 3.32Å; W274-R280 VanDerWaalsContact CZ3-NH2 3.27Å
275H82.7Confident84.6Confident22 Ų2244.5 Ų44.510%0.10223%0.225CC..Hα-helixtrans-60.1-42173.5-78-47.2000111.6S271 A272 S278 G279 R280 L283 T284S271-H275 PolarHBondContact O-CD2 3.24Å; S271-H275 PolarHBondContact O-N 3.36Å; S271-H275 VanDerWaalsContact O-N 3.11Å; A272-H275 PolarHBondContact O-N 3.43Å; H275-S278 PolarHBondContact O-N 3.35Å; H275-G279 PolarHBondContact O-N 3.1Å; H275-R280 PolarHBondContact O-N 3.34Å; H275-L283 HydrophobicContact CB-CB 4.43Å; H275-T284 VanDerWaalsContact C-OG1 3.29Å; H275-T284 WeakPolarHBondContact CB-OG1 3.22Å
276S80.2Confident84.4Confident5 Ų552.3 Ų52.34%0.03526%0.255CS..Hα-helixtrans-66-45.7179.1760000112.2A272 R273 W274 S278 G279 T284 L317A272-S276 WeakPolarHBondContact O-CB 3.12Å; A272-S276 PolarHBondContact O-N 3.37Å; R273-S276 PolarHBondContact O-N 3.38Å; R273-S276 PolarHBondContact O-OG 3.35Å; W274-S276 VanDerWaalsContact C-N 3.28Å; W274-S276 PolarHBondContact O-N 2.83Å; S276-S278 VanDerWaalsContact C-N 3.26Å; S276-S278 PolarHBondContact O-N 3.22Å; S276-G279 PolarHBondContact O-N 3.25Å; S276-T284 WeakPolarHBondContact CA-OG1 3.39Å; S276-T284 PolarHBondContact N-OG1 3.3Å; S276-T284 VanDerWaalsContact N-OG1 3.08Å; S276-L317 WeakPolarHBondContact O-CD2 3.46Å
277S74.6Confident84.4Confident82 Ų8245.9 Ų45.957%0.57323%0.233SC*.Hα-helixtrans-68.9-26.3178.564.30000112.6R273 W274 G279R273-S277 PolarHBondContact O-N 2.62Å; R273-S277 PolarHBondContact O-OG 3.39Å; W274-S277 WeakPolarHBondContact CA-OG 3.44Å; W274-S277 PolarHBondContact O-N 3.43Å; W274-S277 PolarHBondContact O-OG 3.04Å; W274-S277 VanDerWaalsContact O-OG 3.06Å; S277-G279 PolarHBondContact O-N 2.92Å
278S75.4Confident84.4Confident49 Ų4938.3 Ų38.334%0.34320%0.2SC..THydrogen-bonded Turntrans-78.11.5172.6-58.50000113.9W274 H275 S276 R280W274-S278 VanDerWaalsContact O-CB 3.28Å; W274-S278 WeakPolarHBondContact O-CB 3.3Å; W274-S278 PolarHBondContact O-N 3.44Å; W274-S278 PolarHBondContact O-OG 3.32Å; H275-S278 PolarHBondContact O-N 3.35Å; S276-S278 VanDerWaalsContact C-N 3.26Å; S276-S278 PolarHBondContact O-N 3.22Å; S278-R280 VanDerWaalsContact CB-NH2 3.3Å; S278-R280 PolarHBondContact O-N 3.28Å; S278-R280 PolarHBondContact OG-NH2 3.05Å
279G76.6Confident84.4Confident48 Ų4841.4 Ų41.450%0.49521%0.214SC..THydrogen-bonded Turntrans74.25.9-176.200000115.2H275 S276 S277 L281H275-G279 PolarHBondContact O-N 3.1Å; S276-G279 PolarHBondContact O-N 3.25Å; S277-G279 PolarHBondContact O-N 2.92Å; G279-L281 VanDerWaalsContact C-N 3.34Å; G279-L281 PolarHBondContact O-N 2.88Å; G279-L281 VanDerWaalsContact O-N 3.13Å
280R83.4Confident84.5Confident92 Ų9247.6 Ų47.635%0.34724%0.237SC..  trans-89.370.9179.5-73.5174.4-73.7-174.7-9.9110.5W274 H275 S278 D282 L283 T284W274-R280 VanDerWaalsContact CZ3-NH2 3.27Å; H275-R280 PolarHBondContact O-N 3.34Å; S278-R280 VanDerWaalsContact CB-NH2 3.3Å; S278-R280 PolarHBondContact O-N 3.28Å; S278-R280 PolarHBondContact OG-NH2 3.05Å; R280-D282 PolarHBondContact O-N 3.25Å; R280-L283 HydrophobicContact CB-CB 4.48Å; R280-L283 HydrophobicContact CB-CD1 4.23Å; R280-L283 PolarHBondContact O-N 3.37Å; R280-T284 PolarHBondContact O-N 2.92Å; R280-T284 PolarHBondContact O-OG1 3.48Å
281L84.1Confident84.5Confident15 Ų1547 Ų478%0.07923%0.234CC..Hα-helixtrans-66.9-34.2-174.8-63.6178.1000113G279 L283 T284 L285 M306 L309 R310 L313G279-L281 VanDerWaalsContact C-N 3.34Å; G279-L281 PolarHBondContact O-N 2.88Å; G279-L281 VanDerWaalsContact O-N 3.13Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 2.88Å; L281-T284 WeakPolarHBondContact O-CB 3.46Å; L281-T284 PolarHBondContact O-N 3.3Å; L281-T284 VanDerWaalsContact O-N 3.16Å; L281-L285 PolarHBondContact O-N 3.32Å; L281-M306 HydrophobicContact CB-CE 3.6Å; L281-M306 HydrophobicContact CB-SD 3.95Å; L281-L309 HydrophobicContact CB-CD2 4.22Å; L281-L309 HydrophobicContact CD2-CD2 4.21Å; L281-L309 HydrophobicContact CD2-CG 4.38Å; L281-R310 HydrophobicContact CD1-CG 3.44Å; L281-R310 VanDerWaalsContact CD1-CG 3.44Å; L281-L313 HydrophobicContact CD2-CD1 4.14Å
282D86.3Confident84.5Confident93 Ų9347 Ų4750%0.49723%0.234SC..Hα-helixtrans-61.6-42.1177.8-57.1-59.4000112.3R280 T284 R286 M306R280-D282 PolarHBondContact O-N 3.25Å; D282-T284 VanDerWaalsContact C-N 3.35Å; D282-R286 WeakPolarHBondContact O-CG 3.07Å; D282-R286 PolarHBondContact O-N 3.34Å; D282-R286 VanDerWaalsContact O-N 3.09Å; D282-M306 WeakPolarHBondContact OD1-CE 3.25Å
283L86.5Confident84.8Confident66 Ų6655 Ų5535%0.34626%0.264SS..Hα-helixtrans-69.5-36.2177.1-64.4-179.4000111.5H275 R280 L281 A287H275-L283 HydrophobicContact CB-CB 4.43Å; R280-L283 HydrophobicContact CB-CB 4.48Å; R280-L283 HydrophobicContact CB-CD1 4.23Å; R280-L283 PolarHBondContact O-N 3.37Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 2.88Å; L283-A287 WeakPolarHBondContact O-CB 3.49Å; L283-A287 PolarHBondContact O-N 3.14Å
284T85.6Confident85.2Confident0 Ų053.9 Ų53.90%026%0.264CS..Hα-helixtrans-60.9-48.8175.7-53.50000110.6A272 H275 S276 R280 L281 D282 A287 L288 L309A272-T284 HydrophobicContact CB-CG2 4.34Å; H275-T284 VanDerWaalsContact C-OG1 3.29Å; H275-T284 WeakPolarHBondContact CB-OG1 3.22Å; S276-T284 WeakPolarHBondContact CA-OG1 3.39Å; S276-T284 PolarHBondContact N-OG1 3.3Å; S276-T284 VanDerWaalsContact N-OG1 3.08Å; R280-T284 PolarHBondContact O-N 2.92Å; R280-T284 PolarHBondContact O-OG1 3.48Å; L281-T284 WeakPolarHBondContact O-CB 3.46Å; L281-T284 PolarHBondContact O-N 3.3Å; L281-T284 VanDerWaalsContact O-N 3.16Å; D282-T284 VanDerWaalsContact C-N 3.35Å; T284-A287 PolarHBondContact O-N 3.47Å; T284-L288 HydrophobicContact CG2-CD1 4.16Å; T284-L288 WeakPolarHBondContact O-CG 3.45Å; T284-L288 PolarHBondContact O-N 3.43Å; T284-L309 HydrophobicContact CG2-CD1 4.23Å; T284-L309 HydrophobicContact CG2-CD2 4.04Å
285L87.9Confident85.5Confident23 Ų2354.7 Ų54.712%0.1227%0.269CS..Hα-helixtrans-62-47.1179.3-176.6136.5000111.5L281 A287 L288 Q289 L304 S305 M306 L309L281-L285 PolarHBondContact O-N 3.32Å; L285-A287 VanDerWaalsContact C-N 3.31Å; L285-A287 PolarHBondContact O-N 2.91Å; L285-L288 PolarHBondContact O-N 3.06Å; L285-Q289 VanDerWaalsContact CD2-CD 3.48Å; L285-Q289 HydrophobicContact CD2-CG 4.37Å; L285-Q289 WeakPolarHBondContact O-CB 3.15Å; L285-Q289 VanDerWaalsContact O-CG 3.28Å; L285-Q289 WeakPolarHBondContact O-CG 3.38Å; L285-Q289 PolarHBondContact O-N 2.81Å; L285-L304 WeakPolarHBondContact CD1-O 3.47Å; L285-S305 VanDerWaalsContact CD1-C 3.41Å; L285-M306 HydrophobicContact CB-SD 4.38Å; L285-M306 HydrophobicContact CD1-CG 4.04Å; L285-M306 HydrophobicContact CD1-SD 4.15Å; L285-L309 HydrophobicContact CB-CD2 4.07Å
286R89.4Confident85.8Confident164 Ų16456.7 Ų56.762%0.61930%0.295SS*.Hα-helixtrans-59.3-40.6175.6-70.5178-161.1-179.75.6112.4D282 R290D282-R286 WeakPolarHBondContact O-CG 3.07Å; D282-R286 PolarHBondContact O-N 3.34Å; D282-R286 VanDerWaalsContact O-N 3.09Å; R286-R290 WeakPolarHBondContact O-CB 3.49Å; R286-R290 PolarHBondContact O-N 3.42Å
287A88.9Confident86.2Confident10 Ų1061.2 Ų61.28%0.08331%0.314CS..Hα-helixtrans-65-48.6177.600000111.4W213 I269 A272 L283 T284 L285 Q289 R290 V291W213-A287 HydrophobicContact CH2-CB 4.3Å; I269-A287 HydrophobicContact CG2-CB 4.32Å; A272-A287 HydrophobicContact CB-CB 4.29Å; L283-A287 WeakPolarHBondContact O-CB 3.49Å; L283-A287 PolarHBondContact O-N 3.14Å; T284-A287 PolarHBondContact O-N 3.47Å; L285-A287 VanDerWaalsContact C-N 3.31Å; L285-A287 PolarHBondContact O-N 2.91Å; A287-Q289 PolarHBondContact O-N 3.32Å; A287-R290 PolarHBondContact O-N 2.91Å; A287-V291 WeakPolarHBondContact O-CG2 3.43Å; A287-V291 PolarHBondContact O-N 2.99Å
288L88.6Confident86.5Confident1 Ų165.5 Ų65.51%0.00532%0.318CS..Hα-helixtrans-62.1-43.4178-70.6173.4000112.1L7 W213 A272 T284 L285 R290 V291 A292 L304 L309L7-L288 HydrophobicContact CD2-CD2 4.45Å; W213-L288 HydrophobicContact CZ3-CD2 4.33Å; A272-L288 HydrophobicContact CB-CD2 4.24Å; A272-L288 HydrophobicContact CB-CG 4.34Å; T284-L288 HydrophobicContact CG2-CD1 4.16Å; T284-L288 WeakPolarHBondContact O-CG 3.45Å; T284-L288 PolarHBondContact O-N 3.43Å; L285-L288 PolarHBondContact O-N 3.06Å; L288-R290 VanDerWaalsContact C-N 3.33Å; L288-R290 PolarHBondContact O-N 3.46Å; L288-V291 PolarHBondContact O-N 3.4Å; L288-A292 WeakPolarHBondContact O-CB 3.39Å; L288-A292 PolarHBondContact O-N 3.19Å; L288-L304 HydrophobicContact CB-CD1 4.15Å; L288-L309 HydrophobicContact CD1-CD1 4.2Å
289Q89.4Confident86.8Confident70 Ų7070.4 Ų70.433%0.32734%0.335SS..Hα-helixtrans-61.9-40175.6-74.9179.9-18.300112.5L285 A287 A292 R293 G301 L304L285-Q289 VanDerWaalsContact CD2-CD 3.48Å; L285-Q289 HydrophobicContact CD2-CG 4.37Å; L285-Q289 WeakPolarHBondContact O-CB 3.15Å; L285-Q289 VanDerWaalsContact O-CG 3.28Å; L285-Q289 WeakPolarHBondContact O-CG 3.38Å; L285-Q289 PolarHBondContact O-N 2.81Å; A287-Q289 PolarHBondContact O-N 3.32Å; Q289-A292 PolarHBondContact O-N 3.26Å; Q289-R293 WeakPolarHBondContact O-CB 3.08Å; Q289-R293 PolarHBondContact O-N 3.22Å; Q289-G301 WeakPolarHBondContact CG-O 3.43Å; Q289-L304 PolarHBondContact NE2-O 3.04Å
290R89.1Confident87Confident147 Ų14771 Ų7156%0.55533%0.325SS*.Hα-helixtrans-63.7-43.8175.2-175172.1-178.8179.72.1111.2I269 R286 A287 L288 R293 I294I269-R290 HydrophobicContact CD1-CG 4.13Å; R286-R290 WeakPolarHBondContact O-CB 3.49Å; R286-R290 PolarHBondContact O-N 3.42Å; A287-R290 PolarHBondContact O-N 2.91Å; L288-R290 VanDerWaalsContact C-N 3.33Å; L288-R290 PolarHBondContact O-N 3.46Å; R290-R293 WeakPolarHBondContact O-CB 3.34Å; R290-R293 PolarHBondContact O-N 2.74Å; R290-I294 HydrophobicContact CG-CD1 4.22Å; R290-I294 WeakPolarHBondContact O-CG1 3.24Å; R290-I294 PolarHBondContact O-N 2.86Å; R290-I294 VanDerWaalsContact O-N 3.1Å
291V89.3Confident86.7Confident0 Ų066.8 Ų66.80%031%0.31CS..Hα-helixtrans-65.1-42.4176.5174.50000111.3V10 F16 W213 I269 A287 L288 R293 I294 N295V10-V291 HydrophobicContact CG1-CB 3.97Å; V10-V291 HydrophobicContact CG1-CG1 3.66Å; F16-V291 HydrophobicContact CB-CG1 4.05Å; F16-V291 HydrophobicContact CD1-CB 4.12Å; F16-V291 HydrophobicContact CD1-CG1 3.38Å; F16-V291 HydrophobicContact CD1-CG2 3.6Å; F16-V291 HydrophobicContact CD2-CG2 4.14Å; F16-V291 HydrophobicContact CE1-CB 4.37Å; F16-V291 HydrophobicContact CE1-CG1 3.97Å; F16-V291 HydrophobicContact CE1-CG2 3.42Å; F16-V291 VanDerWaalsContact CE1-CG2 3.42Å; F16-V291 HydrophobicContact CE2-CG2 4.01Å; F16-V291 HydrophobicContact CG-CB 4.37Å; F16-V291 HydrophobicContact CG-CG1 3.81Å; F16-V291 HydrophobicContact CG-CG2 3.93Å; F16-V291 HydrophobicContact CZ-CG2 3.6Å; W213-V291 HydrophobicContact CE3-CG2 4.34Å; W213-V291 HydrophobicContact CH2-CG2 3.55Å; W213-V291 HydrophobicContact CZ2-CG2 4.33Å; W213-V291 HydrophobicContact CZ3-CB 4.22Å; W213-V291 HydrophobicContact CZ3-CG1 4.34Å; W213-V291 HydrophobicContact CZ3-CG2 3.56Å; I269-V291 HydrophobicContact CD1-CG2 4.22Å; A287-V291 WeakPolarHBondContact O-CG2 3.43Å; A287-V291 PolarHBondContact O-N 2.99Å; L288-V291 PolarHBondContact O-N 3.4Å; V291-R293 VanDerWaalsContact C-N 3.26Å; V291-R293 PolarHBondContact O-N 3.43Å; V291-I294 PolarHBondContact O-N 2.87Å; V291-I294 VanDerWaalsContact O-N 3.13Å; V291-N295 WeakPolarHBondContact O-CB 3.44Å; V291-N295 PolarHBondContact O-N 3.26Å
292A88.8Confident86.6Confident0 Ų069.8 Ų69.80%034%0.337CS..Hα-helixtrans-58.4-40.7175.800000111.6V10 L288 Q289 N295 G296 K297V10-A292 HydrophobicContact CB-CB 4.48Å; V10-A292 HydrophobicContact CG1-CB 3.81Å; V10-A292 HydrophobicContact CG2-CB 4.32Å; L288-A292 WeakPolarHBondContact O-CB 3.39Å; L288-A292 PolarHBondContact O-N 3.19Å; Q289-A292 PolarHBondContact O-N 3.26Å; A292-N295 PolarHBondContact O-N 3.11Å; A292-G296 PolarHBondContact O-N 2.73Å; A292-K297 CarbonylContact O-C 3.49Å; A292-K297 WeakPolarHBondContact O-CA 3.37Å; A292-K297 PolarHBondContact O-N 3.07Å
293R89.6Confident86.4Confident168 Ų16871.6 Ų71.663%0.63434%0.341SS*.Hα-helixtrans-63.6-43.4175.5-171.7-177.7-69.6-171.8-1.8112.5Q289 R290 V291 N295 G296 R298Q289-R293 WeakPolarHBondContact O-CB 3.08Å; Q289-R293 PolarHBondContact O-N 3.22Å; R290-R293 WeakPolarHBondContact O-CB 3.34Å; R290-R293 PolarHBondContact O-N 2.74Å; V291-R293 VanDerWaalsContact C-N 3.26Å; V291-R293 PolarHBondContact O-N 3.43Å; R293-N295 VanDerWaalsContact C-N 3.32Å; R293-G296 PolarHBondContact O-N 3Å; R293-R298 HydrophobicContact CB-CG 4.45Å; R293-R298 HydrophobicContact CG-CG 4.19Å
294I89.5Confident86.1Confident68 Ų6868.9 Ų68.935%0.34933%0.326SS..Hα-helixtrans-68.4-34.9179-63.6165000111F16 I269 R290 V291 G296F16-I294 HydrophobicContact CB-CB 4.13Å; F16-I294 HydrophobicContact CB-CG2 3.72Å; F16-I294 HydrophobicContact CD2-CD1 3.91Å; I269-I294 HydrophobicContact CD1-CD1 4.35Å; R290-I294 HydrophobicContact CG-CD1 4.22Å; R290-I294 WeakPolarHBondContact O-CG1 3.24Å; R290-I294 PolarHBondContact O-N 2.86Å; R290-I294 VanDerWaalsContact O-N 3.1Å; V291-I294 PolarHBondContact O-N 2.87Å; V291-I294 VanDerWaalsContact O-N 3.13Å; I294-G296 PolarHBondContact O-N 3.38Å
295N90.5Very high86Confident26 Ų2671 Ų7114%0.13934%0.341CS..THydrogen-bonded Turntrans-79.5-0.1177.1-74.4-12.9000114.2V10 G14 R15 F16 Q17 V291 A292 R293 K297V10-N295 WeakPolarHBondContact O-CB 3.33Å; V10-N295 PolarHBondContact O-ND2 3.34Å; G14-N295 WeakPolarHBondContact CA-OD1 3.42Å; R15-N295 PolarHBondContact N-OD1 2.69Å; R15-N295 VanDerWaalsContact N-OD1 3.12Å; F16-N295 WeakPolarHBondContact CB-OD1 3.29Å; F16-N295 PolarHBondContact N-OD1 3.04Å; Q17-N295 PolarHBondContact OE1-ND2 2.98Å; Q17-N295 PolarHBondContact OE1-OD1 3.46Å; V291-N295 WeakPolarHBondContact O-CB 3.44Å; V291-N295 PolarHBondContact O-N 3.26Å; A292-N295 PolarHBondContact O-N 3.11Å; R293-N295 VanDerWaalsContact C-N 3.32Å; N295-K297 VanDerWaalsContact C-N 3.25Å; N295-K297 PolarHBondContact O-N 3.46Å
296G87.7Confident85.6Confident63 Ų6372 Ų7265%0.64935%0.346SS*.THydrogen-bonded Turntrans76.16.2-178.400000114.8A292 R293 I294 R298A292-G296 PolarHBondContact O-N 2.73Å; R293-G296 PolarHBondContact O-N 3Å; I294-G296 PolarHBondContact O-N 3.38Å; G296-R298 PolarHBondContact O-N 3.17Å
297K88.1Confident85Confident100 Ų10071.7 Ų71.744%0.43535%0.351SS..  trans-94.750.2179.8-72.1-88.6-175.91710111.5A292 N295 E299 E300 G301A292-K297 CarbonylContact O-C 3.49Å; A292-K297 WeakPolarHBondContact O-CA 3.37Å; A292-K297 PolarHBondContact O-N 3.07Å; N295-K297 VanDerWaalsContact C-N 3.25Å; N295-K297 PolarHBondContact O-N 3.46Å; K297-E299 VanDerWaalsContact C-N 3.35Å; K297-E299 PolarHBondContact O-N 2.87Å; K297-E300 HydrophobicContact CB-CB 4.42Å; K297-E300 HydrophobicContact CD-CG 4.24Å; K297-E300 PolarHBondContact O-N 2.68Å; K297-G301 PolarHBondContact O-N 3.43Å
298R82.8Confident84.5Confident172 Ų17274.2 Ų74.265%0.64937%0.366SS*.Hα-helixtrans-61.3-39.3-173.2-73.8-175.1-177.1-174.50.9113.5R293 G296 G301 A302R293-R298 HydrophobicContact CB-CG 4.45Å; R293-R298 HydrophobicContact CG-CG 4.19Å; G296-R298 PolarHBondContact O-N 3.17Å; R298-G301 PolarHBondContact O-N 3.32Å; R298-A302 PolarHBondContact O-N 3.48Å
299E80Confident84.1Confident153 Ų15374.3 Ų74.372%0.71537%0.366SS*.Hα-helixtrans-67.5-46.5-179.1-65-177.717700112.1K297 G301 A302 K303K297-E299 VanDerWaalsContact C-N 3.35Å; K297-E299 PolarHBondContact O-N 2.87Å; E299-G301 VanDerWaalsContact C-N 3.27Å; E299-G301 PolarHBondContact O-N 3.42Å; E299-A302 PolarHBondContact O-N 2.86Å; E299-A302 VanDerWaalsContact O-N 3.08Å; E299-K303 WeakPolarHBondContact O-CG 3.42Å; E299-K303 PolarHBondContact O-N 3.34Å
300E80.9Confident83.5Confident61 Ų6177.7 Ų77.729%0.28538%0.376SS..Hα-helixtrans-61.6-37.3173.5-65.1-59130.400111.6K297 A302 K303 L304K297-E300 HydrophobicContact CB-CB 4.42Å; K297-E300 HydrophobicContact CD-CG 4.24Å; K297-E300 PolarHBondContact O-N 2.68Å; E300-A302 VanDerWaalsContact C-N 3.35Å; E300-A302 PolarHBondContact O-N 3.32Å; E300-K303 PolarHBondContact O-N 3Å; E300-K303 IonicContact OE1-NZ 2.69Å; E300-K303 PolarHBondContact OE1-NZ 3.48Å; E300-L304 PolarHBondContact O-N 3.5Å
301G78.2Confident82.9Confident3 Ų374.2 Ų74.23%0.03138%0.379CS..Hα-helixtrans-61.3-39.1171.400000113.6Q289 K297 R298 E299 L304Q289-G301 WeakPolarHBondContact CG-O 3.43Å; K297-G301 PolarHBondContact O-N 3.43Å; R298-G301 PolarHBondContact O-N 3.32Å; E299-G301 VanDerWaalsContact C-N 3.27Å; E299-G301 PolarHBondContact O-N 3.42Å; G301-L304 WeakPolarHBondContact O-CB 3.09Å; G301-L304 PolarHBondContact O-N 3.04Å
302A81.1Confident82Confident78 Ų7876 Ų7665%0.64539%0.391SS*.Hα-helixtrans-72.5-29179.200000112.8R298 E299 E300 L304R298-A302 PolarHBondContact O-N 3.48Å; E299-A302 PolarHBondContact O-N 2.86Å; E299-A302 VanDerWaalsContact O-N 3.08Å; E300-A302 VanDerWaalsContact C-N 3.35Å; E300-A302 PolarHBondContact O-N 3.32Å; A302-L304 VanDerWaalsContact C-N 3.25Å; A302-L304 PolarHBondContact O-N 3.44Å
303K82.8Confident81.3Confident131 Ų13176.1 Ų76.157%0.5739%0.392SS*.Hα-helixtrans-69.4-20.9174.1-67.3172.3-169.4172.70113.1E299 E300 S305E299-K303 WeakPolarHBondContact O-CG 3.42Å; E299-K303 PolarHBondContact O-N 3.34Å; E300-K303 PolarHBondContact O-N 3Å; E300-K303 IonicContact OE1-NZ 2.69Å; E300-K303 PolarHBondContact OE1-NZ 3.48Å; K303-S305 PolarHBondContact O-N 3.34Å; K303-S305 VanDerWaalsContact O-N 3.08Å
304L80.8Confident80.3Confident8 Ų874.2 Ų74.24%0.04239%0.39CS..  trans-70.6102.8174.6-71.6162.7000110.1L6 V10 L285 L288 Q289 E300 G301 A302L6-L304 HydrophobicContact CD2-CD2 3.63Å; V10-L304 HydrophobicContact CG2-CD1 3.62Å; L285-L304 WeakPolarHBondContact CD1-O 3.47Å; L288-L304 HydrophobicContact CB-CD1 4.15Å; Q289-L304 PolarHBondContact NE2-O 3.04Å; E300-L304 PolarHBondContact O-N 3.5Å; G301-L304 WeakPolarHBondContact O-CB 3.09Å; G301-L304 PolarHBondContact O-N 3.04Å; A302-L304 VanDerWaalsContact C-N 3.25Å; A302-L304 PolarHBondContact O-N 3.44Å
305S82.9Confident79.1Confident45 Ų4578.9 Ų78.932%0.31541%0.408SS..  trans-103.2164.2171.776.70000111.6L285 K303 E307 V308 L309L285-S305 VanDerWaalsContact CD1-C 3.41Å; K303-S305 PolarHBondContact O-N 3.34Å; K303-S305 VanDerWaalsContact O-N 3.08Å; S305-E307 PolarHBondContact O-N 3.33Å; S305-E307 PolarHBondContact OG-N 3.06Å; S305-V308 PolarHBondContact O-N 2.63Å; S305-V308 PolarHBondContact OG-N 3.21Å; S305-L309 WeakPolarHBondContact O-CB 3.27Å; S305-L309 PolarHBondContact O-N 2.91Å
306M78.7Confident77.9Confident45 Ų4580.4 Ų80.422%0.22241%0.414CS..Hα-helixtrans-59.4-30.2176.1-79.7-68.1-79.900112.6L281 D282 L285 R310L281-M306 HydrophobicContact CB-CE 3.6Å; L281-M306 HydrophobicContact CB-SD 3.95Å; D282-M306 WeakPolarHBondContact OD1-CE 3.25Å; L285-M306 HydrophobicContact CB-SD 4.38Å; L285-M306 HydrophobicContact CD1-CG 4.04Å; L285-M306 HydrophobicContact CD1-SD 4.15Å; M306-R310 WeakPolarHBondContact O-CB 3.38Å; M306-R310 WeakPolarHBondContact O-CG 3.3Å; M306-R310 PolarHBondContact O-N 3.42Å
307E78.3Confident76.6Confident156 Ų15680.5 Ų80.573%0.72940%0.399SS*.Hα-helixtrans-71.3-47.8179.2-65.9171.6-179.700111.5S305 L309 R310 A311S305-E307 PolarHBondContact O-N 3.33Å; S305-E307 PolarHBondContact OG-N 3.06Å; E307-L309 VanDerWaalsContact C-N 3.27Å; E307-L309 PolarHBondContact O-N 3.08Å; E307-R310 PolarHBondContact O-N 2.91Å; E307-A311 WeakPolarHBondContact O-CB 3.3Å; E307-A311 PolarHBondContact O-N 3.43Å
308V78.2Confident75Confident63 Ų6380.6 Ų80.638%0.38241%0.409SS..Hα-helixtrans-60.2-41.3175.4175.20000110.6S305 S312S305-V308 PolarHBondContact O-N 2.63Å; S305-V308 PolarHBondContact OG-N 3.21Å; V308-S312 VanDerWaalsContact O-CB 3.3Å; V308-S312 WeakPolarHBondContact O-CB 2.95Å; V308-S312 PolarHBondContact O-N 2.95Å; V308-S312 PolarHBondContact O-OG 3.26Å
309L79.2Confident73.6Confident3 Ų379.5 Ų79.52%0.01641%0.413CS..Hα-helixtrans-65.8-45.3178.6-172.565.3000111.8L6 L281 T284 L285 L288 S305 E307 S312 L313L6-L309 HydrophobicContact CD1-CD1 3.81Å; L281-L309 HydrophobicContact CB-CD2 4.22Å; L281-L309 HydrophobicContact CD2-CD2 4.21Å; L281-L309 HydrophobicContact CD2-CG 4.38Å; T284-L309 HydrophobicContact CG2-CD1 4.23Å; T284-L309 HydrophobicContact CG2-CD2 4.04Å; L285-L309 HydrophobicContact CB-CD2 4.07Å; L288-L309 HydrophobicContact CD1-CD1 4.2Å; S305-L309 WeakPolarHBondContact O-CB 3.27Å; S305-L309 PolarHBondContact O-N 2.91Å; E307-L309 VanDerWaalsContact C-N 3.27Å; E307-L309 PolarHBondContact O-N 3.08Å; L309-S312 PolarHBondContact O-N 3.41Å; L309-L313 HydrophobicContact CD1-CD1 3.41Å; L309-L313 VanDerWaalsContact CD1-CD1 3.41Å; L309-L313 HydrophobicContact CD1-CG 4.47Å; L309-L313 HydrophobicContact CG-CD1 3.75Å; L309-L313 WeakPolarHBondContact O-CB 3.3Å; L309-L313 PolarHBondContact O-N 3.03Å
310R77.7Confident72.1Confident141 Ų14175 Ų7553%0.53241%0.408SS..Hα-helixtrans-61.2-49.6175.6-82.2-178.4-179.2160.12111.5L281 M306 E307 S312 L313 Q314L281-R310 HydrophobicContact CD1-CG 3.44Å; L281-R310 VanDerWaalsContact CD1-CG 3.44Å; M306-R310 WeakPolarHBondContact O-CB 3.38Å; M306-R310 WeakPolarHBondContact O-CG 3.3Å; M306-R310 PolarHBondContact O-N 3.42Å; E307-R310 PolarHBondContact O-N 2.91Å; R310-S312 VanDerWaalsContact C-N 3.28Å; R310-S312 PolarHBondContact O-N 2.93Å; R310-L313 PolarHBondContact O-N 2.83Å; R310-Q314 WeakPolarHBondContact O-CB 3.48Å; R310-Q314 PolarHBondContact O-N 3.34Å
311A75.5Confident70.3Confident74 Ų7481.5 Ų81.561%0.61244%0.435SS*.Hα-helixtrans-58.2-41.5179.600000111.9E307E307-A311 WeakPolarHBondContact O-CB 3.3Å; E307-A311 PolarHBondContact O-N 3.43Å
312S71.9Confident68.7Low39 Ų3983.9 Ų83.927%0.27346%0.459SS..Hα-helixtrans-70.2-34.4179.9-57.70000113.1A2 V308 L309 R310A2-S312 WeakPolarHBondContact CB-O 3.36Å; V308-S312 VanDerWaalsContact O-CB 3.3Å; V308-S312 WeakPolarHBondContact O-CB 2.95Å; V308-S312 PolarHBondContact O-N 2.95Å; V308-S312 PolarHBondContact O-OG 3.26Å; L309-S312 PolarHBondContact O-N 3.41Å; R310-S312 VanDerWaalsContact C-N 3.28Å; R310-S312 PolarHBondContact O-N 2.93Å
313L74.1Confident67.3Low2 Ų288.7 Ų88.71%0.0147%0.468CS..Hα-helixtrans-99.7-8.2-173.4-74.7159.7000114.8F3 L281 L309 R310 K315 E316 L317F3-L313 HydrophobicContact CD2-CD2 4.39Å; L281-L313 HydrophobicContact CD2-CD1 4.14Å; L309-L313 HydrophobicContact CD1-CD1 3.41Å; L309-L313 VanDerWaalsContact CD1-CD1 3.41Å; L309-L313 HydrophobicContact CD1-CG 4.47Å; L309-L313 HydrophobicContact CG-CD1 3.75Å; L309-L313 WeakPolarHBondContact O-CB 3.3Å; L309-L313 PolarHBondContact O-N 3.03Å; R310-L313 PolarHBondContact O-N 2.83Å; L313-K315 PolarHBondContact O-N 3.39Å; L313-K315 VanDerWaalsContact O-N 3.15Å; L313-E316 PolarHBondContact O-N 3.12Å; L313-L317 HydrophobicContact CB-CD1 4.04Å; L313-L317 WeakPolarHBondContact O-CG 3.49Å; L313-L317 PolarHBondContact O-N 3.27Å
314Q68.6Low66Low128 Ų12883.1 Ų83.160%0.59845%0.447SS*.Hα-helixtrans-56.7-34.7-175.9-164.5147.4-19.900113.2R310 T318R310-Q314 WeakPolarHBondContact O-CB 3.48Å; R310-Q314 PolarHBondContact O-N 3.34Å; Q314-T318 WeakPolarHBondContact O-CG2 3.3Å; Q314-T318 PolarHBondContact O-N 3.24Å; Q314-T318 PolarHBondContact O-OG1 3.37Å
315K62.5Low65.3Low165 Ų16585.7 Ų85.772%0.71747%0.466SS*.Hα-helixtrans-73.4-33.6176.5-160.2175.2-176.9177.90113L313 T318 M319L313-K315 PolarHBondContact O-N 3.39Å; L313-K315 VanDerWaalsContact O-N 3.15Å; K315-T318 PolarHBondContact O-OG1 3.1Å; K315-M319 WeakPolarHBondContact O-CG 3.15Å; K315-M319 PolarHBondContact O-N 3.06Å
316E65.1Low64.5Low58 Ų5885.8 Ų85.827%0.27147%0.469SS..Hα-helixtrans-79.5-34177-67.3-166-177.100111.9M1 L313 G320M1-E316 PolarHBondContact N-OE1 3.13Å; L313-E316 PolarHBondContact O-N 3.12Å; E316-G320 PolarHBondContact O-N 3.02Å; E316-G320 VanDerWaalsContact O-N 3.13Å
317L60.6Low64.1Low65 Ų6588.9 Ų88.934%0.3448%0.484SS..Hα-helixtrans-67.4-32.7177.3-78.1159.4000113.6S276 L313S276-L317 WeakPolarHBondContact O-CD2 3.46Å; L313-L317 HydrophobicContact CB-CD1 4.04Å; L313-L317 WeakPolarHBondContact O-CG 3.49Å; L313-L317 PolarHBondContact O-N 3.27Å
318T55.4Low63.7Low103 Ų10385.3 Ų85.363%0.63247%0.468SS*.Hα-helixtrans-81.7-32.1179.643.40000112.5Q314 K315Q314-T318 WeakPolarHBondContact O-CG2 3.3Å; Q314-T318 PolarHBondContact O-N 3.24Å; Q314-T318 PolarHBondContact O-OG1 3.37Å; K315-T318 PolarHBondContact O-OG1 3.1Å
319M52.7Low63.4Low148 Ų14882.3 Ų82.373%0.72945%0.45SS*.Hα-helixtrans-81.6-21.2176.6-67.9-17180.600113.9K315 K321K315-M319 WeakPolarHBondContact O-CG 3.15Å; K315-M319 PolarHBondContact O-N 3.06Å; M319-K321 PolarHBondContact O-N 3.15Å
320G48.5Very low63.3Low59 Ų5985.9 Ų85.961%0.60847%0.468SS*.THydrogen-bonded Turntrans-70.73.8-172.400000117.5E316E316-G320 PolarHBondContact O-N 3.02Å; E316-G320 VanDerWaalsContact O-N 3.13Å
321K43.2Very low63.4Low198 Ų19888.1 Ų88.186%0.86148%0.477SS*.THydrogen-bonded Turntrans-94.4-7-175.9-78.2-174.8176179.90115.6M319M319-K321 PolarHBondContact O-N 3.15Å
322G44.8Very low63.7Low53 Ų5386.5 Ų86.555%0.54646%0.46SS..  trans-10070.6178.400000112.6A324G322-A324 PolarHBondContact O-N 3.06Å; G322-A324 VanDerWaalsContact O-N 3.16Å
323Q52.2Low64.2Low178 Ų17888.5 Ų88.583%0.83247%0.472SS*.  trans-73.9103.2163.1-80.1-170.3-21.500108S325Q323-S325 PolarHBondContact O-N 2.93Å
324A55.1Low64.7Low14 Ų1489.4 Ų89.412%0.11648%0.478CS..  trans-57.2120.6171.600000109.7G322 E328 I453G322-A324 PolarHBondContact O-N 3.06Å; G322-A324 VanDerWaalsContact O-N 3.16Å; A324-E328 WeakPolarHBondContact CA-OE2 3.42Å; A324-E328 WeakPolarHBondContact CB-OE2 3.31Å; A324-I453 HydrophobicContact CB-CG2 3.4Å
325S65.4Low65.5Low63 Ų6383.4 Ų83.444%0.44145%0.45SS..  trans-66.9149.1-174.3178.50000111.3Q323 M327 E328Q323-S325 PolarHBondContact O-N 2.93Å; S325-M327 PolarHBondContact O-N 3.38Å; S325-M327 PolarHBondContact OG-N 3.17Å; S325-E328 VanDerWaalsContact O-CB 3.29Å; S325-E328 WeakPolarHBondContact O-CB 3.5Å; S325-E328 PolarHBondContact O-N 3.5Å
326A67.3Low66.7Low47 Ų4781.8 Ų81.839%0.38844%0.44SS..Hα-helixtrans-53.6-27171.800000112.5E328 L329 T456 M460A326-E328 VanDerWaalsContact C-N 3.26Å; A326-E328 PolarHBondContact O-N 2.92Å; A326-L329 PolarHBondContact O-N 3.44Å; A326-T456 HydrophobicContact CB-CG2 4.15Å; A326-M460 HydrophobicContact CB-SD 4.17Å
327M69.6Low67.8Low109 Ų10982.1 Ų82.154%0.53744%0.441SS..Hα-helixtrans-65.7-26.3175-163.865.274.200113S325 L329 L330 R331S325-M327 PolarHBondContact O-N 3.38Å; S325-M327 PolarHBondContact OG-N 3.17Å; M327-L329 VanDerWaalsContact C-N 3.31Å; M327-L329 PolarHBondContact O-N 3.34Å; M327-L330 PolarHBondContact O-N 2.81Å; M327-R331 PolarHBondContact O-N 3.3Å
328E70.1Confident69.2Low82 Ų8279 Ų7938%0.38343%0.425SS..Hα-helixtrans-70-28.4178.1-66.7174.4-163.800112.1A324 S325 A326 L330 R331A324-E328 WeakPolarHBondContact CA-OE2 3.42Å; A324-E328 WeakPolarHBondContact CB-OE2 3.31Å; S325-E328 VanDerWaalsContact O-CB 3.29Å; S325-E328 WeakPolarHBondContact O-CB 3.5Å; S325-E328 PolarHBondContact O-N 3.5Å; A326-E328 VanDerWaalsContact C-N 3.26Å; A326-E328 PolarHBondContact O-N 2.92Å; E328-L330 PolarHBondContact O-N 3.32Å; E328-R331 PolarHBondContact O-N 3Å
329L71.6Confident70.9Confident0 Ų075.3 Ų75.30%040%0.4CS..Hα-helixtrans-64.1-31.3175.1-80.682.2000112.2A326 M327 L335 R336 F339 Y449 I453 T456 M460A326-L329 PolarHBondContact O-N 3.44Å; M327-L329 VanDerWaalsContact C-N 3.31Å; M327-L329 PolarHBondContact O-N 3.34Å; L329-L335 CarbonylContact O-C 3.51Å; L329-L335 WeakPolarHBondContact O-CB 3.48Å; L329-R336 PolarHBondContact O-N 3.34Å; L329-F339 HydrophobicContact CD2-CD2 4.44Å; L329-Y449 HydrophobicContact CD2-CE1 3.79Å; L329-I453 HydrophobicContact CD1-CB 4.32Å; L329-I453 HydrophobicContact CD1-CG2 4.35Å; L329-I453 HydrophobicContact CG-CD1 4.49Å; L329-T456 HydrophobicContact CD1-CG2 3.66Å; L329-M460 HydrophobicContact CD2-SD 3.82Å
330L76.9Confident72.8Confident78 Ų7873 Ų7341%0.40839%0.39SS..Hα-helixtrans-86.6-17.5-178.3-64.9175000113.2M327 E328 R336 F339M327-L330 PolarHBondContact O-N 2.81Å; E328-L330 PolarHBondContact O-N 3.32Å; L330-R336 HydrophobicContact CD2-CG 4.49Å; L330-F339 HydrophobicContact CD2-CD1 3.9Å; L330-F339 HydrophobicContact CD2-CE1 4.06Å
331R79.9Confident74.9Confident188 Ų18870.5 Ų70.571%0.70936%0.363SS*.Hα-helixtrans-76.9-43-177.8-78.8179.8178.5169.3-1.1113M327 E328M327-R331 PolarHBondContact O-N 3.3Å; E328-R331 PolarHBondContact O-N 3Å
332C81.3Confident77.3Confident39 Ų3961.1 Ų61.126%0.26432%0.322SS..SBendtrans-85.2130.9-179.4-650000110.7T334 L335 R336 V516C332-T334 VanDerWaalsContact C-N 3.35Å; C332-T334 PolarHBondContact O-N 3.3Å; C332-L335 HydrophobicContact CB-CB 4.03Å; C332-L335 HydrophobicContact CB-CD1 3.9Å; C332-L335 HydrophobicContact CB-CG 3.96Å; C332-L335 PolarHBondContact O-N 3.37Å; C332-R336 WeakPolarHBondContact O-CB 3.46Å; C332-R336 PolarHBondContact O-N 3.4Å; C332-V516 HydrophobicContact CB-CG1 4.48Å
333P83.4Confident79.7Confident81 Ų8159.1 Ų59.153%0.52630%0.3SS..Hα-helixtrans-62.4-39.4-175.424.2-33.1000112.8R336 H337P333-R336 PolarHBondContact O-N 2.8Å; P333-H337 WeakPolarHBondContact O-CB 3.33Å; P333-H337 PolarHBondContact O-N 3.2Å
334T84.4Confident81.7Confident21 Ų2155.6 Ų55.613%0.12929%0.285CS..Hα-helixtrans-65.3-44.2177.5-47.70000111.8C332 H337 L338 L519 E520 W523C332-T334 VanDerWaalsContact C-N 3.35Å; C332-T334 PolarHBondContact O-N 3.3Å; T334-H337 PolarHBondContact O-N 3.35Å; T334-L338 WeakPolarHBondContact O-CB 3.19Å; T334-L338 PolarHBondContact O-N 3.48Å; T334-L519 HydrophobicContact CG2-CD2 3.95Å; T334-L519 HydrophobicContact CG2-CG 4.06Å; T334-E520 HydrophobicContact CG2-CG 4.47Å; T334-W523 HydrophobicContact CG2-CB 4.28Å; T334-W523 HydrophobicContact CG2-CD2 3.91Å; T334-W523 HydrophobicContact CG2-CE3 4.42Å; T334-W523 HydrophobicContact CG2-CG 3.82Å
335L84.9Confident83.7Confident3 Ų355 Ų552%0.01628%0.279CS..Hα-helixtrans-68-38176.8-66.1-178.9000112.2L329 C332 L338 F339 P450 I453 V516 L519L329-L335 CarbonylContact O-C 3.51Å; L329-L335 WeakPolarHBondContact O-CB 3.48Å; C332-L335 HydrophobicContact CB-CB 4.03Å; C332-L335 HydrophobicContact CB-CD1 3.9Å; C332-L335 HydrophobicContact CB-CG 3.96Å; C332-L335 PolarHBondContact O-N 3.37Å; L335-L338 PolarHBondContact O-N 3.26Å; L335-F339 WeakPolarHBondContact O-CB 3.41Å; L335-F339 PolarHBondContact O-N 2.89Å; L335-P450 HydrophobicContact CD2-CG 4.36Å; L335-I453 HydrophobicContact CD1-CD1 3.43Å; L335-I453 VanDerWaalsContact CD1-CD1 3.43Å; L335-I453 HydrophobicContact CD2-CD1 3.43Å; L335-I453 VanDerWaalsContact CD2-CD1 3.43Å; L335-I453 HydrophobicContact CG-CD1 4.04Å; L335-V516 HydrophobicContact CD1-CG1 4.08Å; L335-V516 HydrophobicContact CD1-CG2 3.95Å; L335-V516 HydrophobicContact CG-CG1 4.2Å; L335-L519 HydrophobicContact CD2-CD2 3.48Å; L335-L519 VanDerWaalsContact CD2-CD2 3.48Å
336R88.3Confident85.1Confident131 Ų13152 Ų5249%0.49426%0.259SS..Hα-helixtrans-63.9-44.4175.1-176.2178.466.5-179.10.8111.3L329 L330 C332 P333 F339 L340L329-R336 PolarHBondContact O-N 3.34Å; L330-R336 HydrophobicContact CD2-CG 4.49Å; C332-R336 WeakPolarHBondContact O-CB 3.46Å; C332-R336 PolarHBondContact O-N 3.4Å; P333-R336 PolarHBondContact O-N 2.8Å; R336-F339 PolarHBondContact O-N 2.78Å; R336-L340 HydrophobicContact CG-CD1 4.28Å; R336-L340 VanDerWaalsContact O-CG 3.32Å; R336-L340 WeakPolarHBondContact O-CG 3.42Å; R336-L340 PolarHBondContact O-N 3.15Å
337H88.9Confident86.5Confident64 Ų6451.9 Ų51.930%0.29625%0.249SC..Hα-helixtrans-61.9-46.1176.5-178.8-82.5000111.4P333 T334 F339 L340 C341 W523P333-H337 WeakPolarHBondContact O-CB 3.33Å; P333-H337 PolarHBondContact O-N 3.2Å; T334-H337 PolarHBondContact O-N 3.35Å; H337-F339 VanDerWaalsContact C-N 3.34Å; H337-F339 PolarHBondContact O-N 3.48Å; H337-L340 PolarHBondContact O-N 3.17Å; H337-C341 VanDerWaalsContact CE1-SG 3.51Å; H337-C341 PolarHBondContact O-N 3.19Å; H337-C341 PolarHBondContact O-SG 3.44Å; H337-W523 AromaticContact CE1-CH2 3.32Å; H337-W523 WeakPolarHBondContact CE1-CH2 3.14Å; H337-W523 AromaticContact CE1-CZ3 3.46Å; H337-W523 VanDerWaalsContact CE1-CZ3 3.46Å; H337-W523 WeakPolarHBondContact CE1-CZ3 3.41Å; H337-W523 AromaticContact CG-CZ3 3.93Å; H337-W523 AromaticContact ND1-CH2 2.96Å; H337-W523 WeakPolarHBondContact ND1-CH2 3.41Å; H337-W523 AromaticContact ND1-CZ3 3.17Å; H337-W523 WeakPolarHBondContact ND1-CZ3 3.48Å
338L89.8Confident87.8Confident0 Ų046.7 Ų46.70%022%0.224CC..Hα-helixtrans-58.6-45.9174.4-177.661.5000111.8T334 L335 C341 L342 L448 Y449 L504 L519T334-L338 WeakPolarHBondContact O-CB 3.19Å; T334-L338 PolarHBondContact O-N 3.48Å; L335-L338 PolarHBondContact O-N 3.26Å; L338-C341 PolarHBondContact O-N 3.34Å; L338-L342 HydrophobicContact CD1-CD1 3.69Å; L338-L342 HydrophobicContact CD1-CG 4.02Å; L338-L342 HydrophobicContact CD2-CD1 4.49Å; L338-L342 HydrophobicContact CG-CD1 3.8Å; L338-L342 HydrophobicContact CG-CG 4.43Å; L338-L342 WeakPolarHBondContact O-CB 3.39Å; L338-L342 WeakPolarHBondContact O-CG 3.44Å; L338-L342 PolarHBondContact O-N 3.26Å; L338-L448 HydrophobicContact CD1-CB 3.99Å; L338-L448 HydrophobicContact CD1-CD1 3.91Å; L338-L448 HydrophobicContact CD1-CD2 4.18Å; L338-L448 HydrophobicContact CD1-CG 4.26Å; L338-L448 HydrophobicContact CD2-CB 4.09Å; L338-Y449 HydrophobicContact CD2-CD1 3.72Å; L338-Y449 HydrophobicContact CD2-CE1 3.72Å; L338-Y449 HydrophobicContact CD2-CG 4.15Å; L338-Y449 HydrophobicContact CG-CE1 4.17Å; L338-L504 HydrophobicContact CD1-CD2 3.61Å; L338-L519 HydrophobicContact CD2-CD2 4.23Å
339F90.6Very high89Confident26 Ų2642.8 Ų42.811%0.11421%0.206CC..Hα-helixtrans-60.3-46.7178.9170.9-107.5000112.3L329 L330 L335 R336 H337 S343 Y449 M460L329-F339 HydrophobicContact CD2-CD2 4.44Å; L330-F339 HydrophobicContact CD2-CD1 3.9Å; L330-F339 HydrophobicContact CD2-CE1 4.06Å; L335-F339 WeakPolarHBondContact O-CB 3.41Å; L335-F339 PolarHBondContact O-N 2.89Å; R336-F339 PolarHBondContact O-N 2.78Å; H337-F339 VanDerWaalsContact C-N 3.34Å; H337-F339 PolarHBondContact O-N 3.48Å; F339-S343 WeakPolarHBondContact CE2-OG 3.33Å; F339-S343 WeakPolarHBondContact CZ-OG 3.4Å; F339-S343 WeakPolarHBondContact O-CB 3.4Å; F339-S343 PolarHBondContact O-N 2.82Å; F339-S343 PolarHBondContact O-OG 3.35Å; F339-Y449 VanDerWaalsContact CA-OH 3.3Å; F339-Y449 WeakPolarHBondContact CA-OH 3.42Å; F339-M460 HydrophobicContact CD2-CB 4.38Å; F339-M460 HydrophobicContact CD2-CE 4.09Å; F339-M460 HydrophobicContact CD2-SD 4.26Å; F339-M460 HydrophobicContact CE1-CE 4.17Å; F339-M460 HydrophobicContact CE2-CB 3.71Å; F339-M460 HydrophobicContact CE2-CE 3.34Å; F339-M460 HydrophobicContact CE2-CG 4.4Å; F339-M460 HydrophobicContact CE2-SD 3.92Å; F339-M460 HydrophobicContact CZ-CE 3.38Å
340L92.1Very high90.1Very high98 Ų9843 Ų4351%0.51321%0.207SC..Hα-helixtrans-63.2-47.2178.2-70.4171.2000111.4R336 H337 S343 M344R336-L340 HydrophobicContact CG-CD1 4.28Å; R336-L340 VanDerWaalsContact O-CG 3.32Å; R336-L340 WeakPolarHBondContact O-CG 3.42Å; R336-L340 PolarHBondContact O-N 3.15Å; H337-L340 PolarHBondContact O-N 3.17Å; L340-S343 PolarHBondContact O-N 3.48Å; L340-M344 WeakPolarHBondContact O-CG 3.3Å; L340-M344 PolarHBondContact O-N 3.46Å; L340-M344 VanDerWaalsContact O-N 3.08Å
341C93.8Very high91Very high7 Ų739.4 Ų39.45%0.04719%0.188CC..Hα-helixtrans-61.7-50179.4-67.20000111.7H337 L338 S343 M344 L345 V500 L504H337-C341 VanDerWaalsContact CE1-SG 3.51Å; H337-C341 PolarHBondContact O-N 3.19Å; H337-C341 PolarHBondContact O-SG 3.44Å; L338-C341 PolarHBondContact O-N 3.34Å; C341-S343 VanDerWaalsContact C-N 3.35Å; C341-S343 PolarHBondContact O-N 3.46Å; C341-M344 PolarHBondContact O-N 3.29Å; C341-L345 WeakPolarHBondContact O-CG 3.07Å; C341-L345 PolarHBondContact O-N 3.42Å; C341-L345 VanDerWaalsContact O-N 3.14Å; C341-V500 HydrophobicContact CB-CG1 3.81Å; C341-L504 HydrophobicContact CB-CD1 4.38Å; C341-L504 HydrophobicContact CB-CD2 3.71Å; C341-L504 HydrophobicContact CB-CG 4.13Å
342L93.1Very high91.7Very high1 Ų130.5 Ų30.51%0.00515%0.154CC..Hα-helixtrans-65.1-39179.2-71.6177.4000111.8L338 M344 L345 W346 T445 L448 Y449 L504L338-L342 HydrophobicContact CD1-CD1 3.69Å; L338-L342 HydrophobicContact CD1-CG 4.02Å; L338-L342 HydrophobicContact CD2-CD1 4.49Å; L338-L342 HydrophobicContact CG-CD1 3.8Å; L338-L342 HydrophobicContact CG-CG 4.43Å; L338-L342 WeakPolarHBondContact O-CB 3.39Å; L338-L342 WeakPolarHBondContact O-CG 3.44Å; L338-L342 PolarHBondContact O-N 3.26Å; L342-M344 VanDerWaalsContact C-N 3.33Å; L342-M344 PolarHBondContact O-N 2.98Å; L342-L345 HydrophobicContact CD2-CD1 4.27Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-W346 WeakPolarHBondContact O-CB 3.26Å; L342-W346 PolarHBondContact O-N 2.9Å; L342-T445 HydrophobicContact CD1-CG2 4.21Å; L342-L448 HydrophobicContact CD1-CD1 4.13Å; L342-L448 HydrophobicContact CD2-CD1 3.85Å; L342-L448 HydrophobicContact CG-CD1 4.38Å; L342-Y449 HydrophobicContact CD1-CD2 4.06Å; L342-Y449 HydrophobicContact CD1-CE2 3.42Å; L342-Y449 VanDerWaalsContact CD1-CE2 3.42Å; L342-L504 HydrophobicContact CD2-CD1 3.99Å
343S94.1Very high92.2Very high12 Ų1229.4 Ų29.48%0.08415%0.145CC..Hα-helixtrans-58.9-44.3176.5-67.40000111.8F339 L340 C341 L345 W346 F347 M464F339-S343 WeakPolarHBondContact CE2-OG 3.33Å; F339-S343 WeakPolarHBondContact CZ-OG 3.4Å; F339-S343 WeakPolarHBondContact O-CB 3.4Å; F339-S343 PolarHBondContact O-N 2.82Å; F339-S343 PolarHBondContact O-OG 3.35Å; L340-S343 PolarHBondContact O-N 3.48Å; C341-S343 VanDerWaalsContact C-N 3.35Å; C341-S343 PolarHBondContact O-N 3.46Å; S343-L345 VanDerWaalsContact C-N 3.35Å; S343-L345 PolarHBondContact O-N 3.4Å; S343-W346 PolarHBondContact O-N 3.3Å; S343-F347 VanDerWaalsContact O-CB 3.3Å; S343-F347 WeakPolarHBondContact O-CB 3.32Å; S343-F347 PolarHBondContact O-N 3.4Å; S343-M464 WeakPolarHBondContact O-CG 3.23Å
344M95.3Very high92.5Very high104 Ų10426.5 Ų26.551%0.51212%0.124SC..Hα-helixtrans-62.8-40.3175.7-68.8-65.8-67.400112.1L340 C341 L342 A348L340-M344 WeakPolarHBondContact O-CG 3.3Å; L340-M344 PolarHBondContact O-N 3.46Å; L340-M344 VanDerWaalsContact O-N 3.08Å; C341-M344 PolarHBondContact O-N 3.29Å; L342-M344 VanDerWaalsContact C-N 3.33Å; L342-M344 PolarHBondContact O-N 2.98Å; M344-A348 VanDerWaalsContact O-CB 3.25Å; M344-A348 WeakPolarHBondContact O-CB 3.36Å; M344-A348 PolarHBondContact O-N 3.48Å
345L95.9Very high92.8Very high0 Ų025.5 Ų25.50%012%0.117CC..Hα-helixtrans-67.5-43.3178.1-66.6168.8000112.4C341 L342 S343 T349 L402 I441 A497 T501 L504C341-L345 WeakPolarHBondContact O-CG 3.07Å; C341-L345 PolarHBondContact O-N 3.42Å; C341-L345 VanDerWaalsContact O-N 3.14Å; L342-L345 HydrophobicContact CD2-CD1 4.27Å; L342-L345 PolarHBondContact O-N 3.34Å; S343-L345 VanDerWaalsContact C-N 3.35Å; S343-L345 PolarHBondContact O-N 3.4Å; L345-T349 WeakPolarHBondContact O-CB 3.34Å; L345-T349 PolarHBondContact O-N 3.09Å; L345-T349 PolarHBondContact O-OG1 3.36Å; L345-L402 HydrophobicContact CD2-CD1 3.38Å; L345-I441 VanDerWaalsContact C-CD1 3.43Å; L345-I441 HydrophobicContact CB-CD1 3.45Å; L345-I441 VanDerWaalsContact CB-CD1 3.45Å; L345-I441 HydrophobicContact CB-CG1 4.5Å; L345-A497 HydrophobicContact CD2-CB 4.2Å; L345-A497 VanDerWaalsContact CD2-O 3.3Å; L345-A497 WeakPolarHBondContact CD2-O 3.31Å; L345-T501 HydrophobicContact CD1-CG2 4.02Å; L345-T501 HydrophobicContact CD2-CG2 3.33Å; L345-T501 HydrophobicContact CG-CG2 4.33Å; L345-L504 HydrophobicContact CD1-CD1 3.44Å; L345-L504 VanDerWaalsContact CD1-CD1 3.44Å
346W96Very high93Very high1 Ų125.3 Ų25.30%0.00412%0.117CC..Hα-helixtrans-63.5-44175.7-84.4107.2000111.4L342 S343 S350 F438 I441 F442 T445 L458 G461 M464 A465L342-W346 WeakPolarHBondContact O-CB 3.26Å; L342-W346 PolarHBondContact O-N 2.9Å; S343-W346 PolarHBondContact O-N 3.3Å; W346-S350 WeakPolarHBondContact O-CB 3.42Å; W346-S350 PolarHBondContact O-N 2.92Å; W346-F438 HydrophobicContact CE3-CE1 4.41Å; W346-F438 HydrophobicContact CZ3-CD1 4.18Å; W346-F438 HydrophobicContact CZ3-CE1 4.19Å; W346-I441 HydrophobicContact CB-CD1 4.11Å; W346-I441 HydrophobicContact CD2-CD1 3.7Å; W346-I441 HydrophobicContact CD2-CG1 4.13Å; W346-I441 HydrophobicContact CD2-CG2 4.12Å; W346-I441 HydrophobicContact CE3-CD1 4.34Å; W346-I441 HydrophobicContact CE3-CG2 3.95Å; W346-I441 HydrophobicContact CG-CD1 3.53Å; W346-I441 HydrophobicContact CG-CG1 4.31Å; W346-I441 HydrophobicContact CH2-CG2 3.82Å; W346-I441 HydrophobicContact CZ2-CG1 4.23Å; W346-I441 HydrophobicContact CZ2-CG2 3.94Å; W346-I441 HydrophobicContact CZ3-CG2 3.83Å; W346-I441 VanDerWaalsContact N-CD1 3.28Å; W346-F442 HydrophobicContact CH2-CB 4.31Å; W346-F442 AromaticContact CH2-CD1 3.5Å; W346-F442 HydrophobicContact CH2-CD1 3.5Å; W346-F442 AromaticContact CH2-CD2 3.6Å; W346-F442 HydrophobicContact CH2-CD2 3.6Å; W346-F442 AromaticContact CH2-CE1 3.47Å; W346-F442 HydrophobicContact CH2-CE1 3.47Å; W346-F442 VanDerWaalsContact CH2-CE1 3.47Å; W346-F442 AromaticContact CH2-CE2 3.55Å; W346-F442 HydrophobicContact CH2-CE2 3.55Å; W346-F442 AromaticContact CH2-CG 3.53Å; W346-F442 HydrophobicContact CH2-CG 3.53Å; W346-F442 AromaticContact CH2-CZ 3.47Å; W346-F442 HydrophobicContact CH2-CZ 3.47Å; W346-F442 VanDerWaalsContact CH2-CZ 3.47Å; W346-F442 HydrophobicContact CZ2-CD1 4.19Å; W346-F442 HydrophobicContact CZ2-CE1 4.4Å; W346-F442 HydrophobicContact CZ2-CG 4.3Å; W346-F442 HydrophobicContact CZ3-CD2 4.06Å; W346-F442 HydrophobicContact CZ3-CE1 4.15Å; W346-F442 AromaticContact CZ3-CE2 3.66Å; W346-F442 HydrophobicContact CZ3-CE2 3.66Å; W346-F442 HydrophobicContact CZ3-CG 4.43Å; W346-F442 AromaticContact CZ3-CZ 3.69Å; W346-F442 HydrophobicContact CZ3-CZ 3.69Å; W346-T445 PolarHBondContact NE1-OG1 3.04Å; W346-L458 HydrophobicContact CH2-CD1 4.38Å; W346-L458 HydrophobicContact CZ2-CD1 3.79Å; W346-G461 VanDerWaalsContact CB-O 3.26Å; W346-G461 WeakPolarHBondContact CB-O 3.37Å; W346-G461 VanDerWaalsContact CD1-CA 3.43Å; W346-M464 HydrophobicContact CB-CB 4.45Å; W346-A465 HydrophobicContact CB-CB 4.3Å; W346-A465 HydrophobicContact CE3-CB 3.76Å; W346-A465 HydrophobicContact CZ3-CB 4.5Å; W346-A465 WeakPolarHBondContact O-CA 3.35Å
347F96.6Very high92.8Very high44 Ų4419.1 Ų19.119%0.1939%0.093CC..Hα-helixtrans-57.1-58.9173.5-178.5-95.1000110.8S343 T349 S350 F351 M464 V467 G468 V471 V493S343-F347 VanDerWaalsContact O-CB 3.3Å; S343-F347 WeakPolarHBondContact O-CB 3.32Å; S343-F347 PolarHBondContact O-N 3.4Å; F347-T349 PolarHBondContact O-N 3.22Å; F347-S350 PolarHBondContact O-N 2.69Å; F347-F351 HydrophobicContact CD1-CB 4.38Å; F347-F351 HydrophobicContact CE1-CB 4.15Å; F347-F351 HydrophobicContact CE1-CD2 4.47Å; F347-F351 HydrophobicContact CE1-CG 4.16Å; F347-F351 HydrophobicContact CZ-CB 4.44Å; F347-F351 HydrophobicContact CZ-CD2 4.28Å; F347-F351 HydrophobicContact CZ-CG 4.38Å; F347-F351 WeakPolarHBondContact O-CB 3.48Å; F347-F351 PolarHBondContact O-N 2.75Å; F347-M464 HydrophobicContact CB-CG 3.92Å; F347-M464 HydrophobicContact CD2-SD 4.35Å; F347-V467 HydrophobicContact CD2-CG1 4.38Å; F347-V467 HydrophobicContact CE2-CG1 4.14Å; F347-G468 VanDerWaalsContact CE2-CA 3.45Å; F347-V471 HydrophobicContact CE2-CG2 4.37Å; F347-V471 HydrophobicContact CZ-CB 4.44Å; F347-V471 HydrophobicContact CZ-CG1 4.47Å; F347-V493 HydrophobicContact CD1-CG1 4.32Å; F347-V493 HydrophobicContact CE1-CG1 4.26Å
348A96.7Very high92.4Very high1 Ų116.3 Ų16.31%0.0088%0.081CC..Hα-helixtrans-61.1-42.9-173.100000112.6M344 A352 V493 A497M344-A348 VanDerWaalsContact O-CB 3.25Å; M344-A348 WeakPolarHBondContact O-CB 3.36Å; M344-A348 PolarHBondContact O-N 3.48Å; A348-A352 WeakPolarHBondContact O-CB 3.13Å; A348-A352 PolarHBondContact O-N 2.89Å; A348-V493 HydrophobicContact CB-CG1 3.74Å; A348-A497 HydrophobicContact CB-CB 3.4Å; A348-A497 VanDerWaalsContact CB-CB 3.4Å
349T95.5Very high91.7Very high0 Ų018.7 Ų18.70%09%0.093CC..Hα-helixtrans-61.5-48.4178.5-54.10000110.9L345 F347 Y353 S437 F438L345-T349 WeakPolarHBondContact O-CB 3.34Å; L345-T349 PolarHBondContact O-N 3.09Å; L345-T349 PolarHBondContact O-OG1 3.36Å; F347-T349 PolarHBondContact O-N 3.22Å; T349-Y353 WeakPolarHBondContact O-CB 3.38Å; T349-Y353 PolarHBondContact O-N 3.09Å; T349-S437 WeakPolarHBondContact CG2-OG 3.3Å; T349-S437 PolarHBondContact OG1-OG 3.29Å; T349-S437 VanDerWaalsContact OG1-OG 3.09Å; T349-F438 HydrophobicContact CG2-CB 4.37Å; T349-F438 HydrophobicContact CG2-CD1 4.09Å; T349-F438 HydrophobicContact CG2-CD2 3.61Å; T349-F438 HydrophobicContact CG2-CE1 4.32Å; T349-F438 HydrophobicContact CG2-CE2 3.87Å; T349-F438 HydrophobicContact CG2-CG 3.75Å; T349-F438 HydrophobicContact CG2-CZ 4.23Å
350S94.6Very high90.9Very high3 Ų317.5 Ų17.52%0.0219%0.088CC..Hα-helixtrans-71.4-42.6-178.6-168.80000112.8W346 F347 Y353 Y354 A465W346-S350 WeakPolarHBondContact O-CB 3.42Å; W346-S350 PolarHBondContact O-N 2.92Å; F347-S350 PolarHBondContact O-N 2.69Å; S350-Y353 PolarHBondContact O-N 3.23Å; S350-Y354 WeakPolarHBondContact O-CD2 3.42Å; S350-Y354 PolarHBondContact O-N 2.86Å; S350-A465 WeakPolarHBondContact CB-O 3.45Å; S350-A465 PolarHBondContact OG-O 2.79Å
351F95.2Very high89.9Confident4 Ų415.9 Ų15.92%0.0188%0.078CC..Hα-helixtrans-56.1-52.3177.7172.2-104.2000111.7F347 G355 G468 V471 S472 V475 I489 Y490 V493F347-F351 HydrophobicContact CD1-CB 4.38Å; F347-F351 HydrophobicContact CE1-CB 4.15Å; F347-F351 HydrophobicContact CE1-CD2 4.47Å; F347-F351 HydrophobicContact CE1-CG 4.16Å; F347-F351 HydrophobicContact CZ-CB 4.44Å; F347-F351 HydrophobicContact CZ-CD2 4.28Å; F347-F351 HydrophobicContact CZ-CG 4.38Å; F347-F351 WeakPolarHBondContact O-CB 3.48Å; F347-F351 PolarHBondContact O-N 2.75Å; F351-G355 PolarHBondContact O-N 3.06Å; F351-G468 WeakPolarHBondContact CA-O 3.28Å; F351-V471 HydrophobicContact CD2-CB 4.37Å; F351-V471 HydrophobicContact CD2-CG1 4.31Å; F351-V471 HydrophobicContact CE2-CB 4.48Å; F351-V471 HydrophobicContact CE2-CG1 4Å; F351-S472 WeakPolarHBondContact O-CB 3.48Å; F351-S472 PolarHBondContact O-OG 2.8Å; F351-V475 HydrophobicContact CE2-CB 4.13Å; F351-V475 HydrophobicContact CE2-CG2 3.69Å; F351-V475 HydrophobicContact CZ-CB 4.09Å; F351-V475 HydrophobicContact CZ-CG1 4.16Å; F351-V475 HydrophobicContact CZ-CG2 3.77Å; F351-I489 HydrophobicContact CE1-CG2 4.04Å; F351-I489 HydrophobicContact CZ-CG2 3.79Å; F351-Y490 HydrophobicContact CD1-CD1 4.14Å; F351-Y490 AromaticContact CE1-CD1 3.52Å; F351-Y490 HydrophobicContact CE1-CD1 3.52Å; F351-Y490 HydrophobicContact CE1-CE1 4.06Å; F351-Y490 HydrophobicContact CE2-CD1 4.2Å; F351-Y490 AromaticContact CE2-CE1 3.89Å; F351-Y490 HydrophobicContact CE2-CE1 3.89Å; F351-Y490 AromaticContact CZ-CD1 3.53Å; F351-Y490 HydrophobicContact CZ-CD1 3.53Å; F351-Y490 AromaticContact CZ-CE1 3.59Å; F351-Y490 HydrophobicContact CZ-CE1 3.59Å; F351-V493 HydrophobicContact CD1-CB 4.06Å; F351-V493 HydrophobicContact CD1-CG1 3.95Å; F351-V493 HydrophobicContact CD1-CG2 4.31Å; F351-V493 HydrophobicContact CE1-CB 4.07Å; F351-V493 HydrophobicContact CE1-CG1 4.4Å; F351-V493 HydrophobicContact CE1-CG2 3.92Å
352A95.2Very high88.9Confident0 Ų016.7 Ų16.70%09%0.087CC..Hα-helixtrans-70.8-36179.100000112.7A348 G355 L356 I409 L434 Y490 P494A348-A352 WeakPolarHBondContact O-CB 3.13Å; A348-A352 PolarHBondContact O-N 2.89Å; A352-G355 PolarHBondContact O-N 3.23Å; A352-L356 WeakPolarHBondContact O-CB 3.36Å; A352-L356 PolarHBondContact O-N 3.04Å; A352-I409 HydrophobicContact CB-CD1 4.38Å; A352-L434 HydrophobicContact CB-CD1 3.85Å; A352-L434 HydrophobicContact CB-CD2 3.87Å; A352-Y490 WeakPolarHBondContact CB-O 3.35Å; A352-P494 HydrophobicContact CB-CG 3.43Å; A352-P494 VanDerWaalsContact CB-CG 3.43Å
353Y92.6Very high88Confident17 Ų1716.7 Ų16.77%0.0679%0.087CC..Hα-helixtrans-62.2-50.3178.9179.8-89.4000111.6T349 S350 G355 V357 K431 L434 A435 F438T349-Y353 WeakPolarHBondContact O-CB 3.38Å; T349-Y353 PolarHBondContact O-N 3.09Å; S350-Y353 PolarHBondContact O-N 3.23Å; Y353-G355 VanDerWaalsContact C-N 3.34Å; Y353-V357 HydrophobicContact CD1-CG2 4.33Å; Y353-V357 HydrophobicContact CE1-CG2 4.04Å; Y353-V357 HydrophobicContact CE2-CG2 4.49Å; Y353-V357 WeakPolarHBondContact O-CB 2.94Å; Y353-V357 VanDerWaalsContact O-CG2 3.22Å; Y353-V357 WeakPolarHBondContact O-CG2 3.17Å; Y353-V357 PolarHBondContact O-N 2.95Å; Y353-K431 HydrophobicContact CE2-CD 4.49Å; Y353-L434 HydrophobicContact CD2-CB 4.01Å; Y353-A435 HydrophobicContact CE2-CB 4.44Å; Y353-F438 HydrophobicContact CD1-CE2 4.02Å; Y353-F438 HydrophobicContact CD2-CD2 4.13Å; Y353-F438 HydrophobicContact CD2-CE2 4.09Å; Y353-F438 HydrophobicContact CG-CD2 4.16Å; Y353-F438 AromaticContact CG-CE2 3.65Å; Y353-F438 HydrophobicContact CG-CE2 3.65Å
354Y89.3Confident86.8Confident19 Ų1918.8 Ų18.88%0.07511%0.111CC..Hα-helixtrans-71.7-30.6177.5-75.7-72.7000112N35 M142 S350 L356 V357 M358 S472N35-Y354 PolarHBondContact ND2-OH 2.81Å; N35-Y354 VanDerWaalsContact ND2-OH 3.15Å; M142-Y354 HydrophobicContact CE-CD1 3.59Å; M142-Y354 HydrophobicContact CE-CE1 3.48Å; M142-Y354 VanDerWaalsContact CE-CE1 3.48Å; M142-Y354 HydrophobicContact CE-CG 4.26Å; S350-Y354 WeakPolarHBondContact O-CD2 3.42Å; S350-Y354 PolarHBondContact O-N 2.86Å; Y354-L356 VanDerWaalsContact C-N 3.3Å; Y354-L356 PolarHBondContact O-N 3.05Å; Y354-V357 PolarHBondContact O-N 3.38Å; Y354-M358 HydrophobicContact CD1-CE 3.74Å; Y354-M358 HydrophobicContact CE1-CE 4.27Å; Y354-M358 VanDerWaalsContact O-CB 3.24Å; Y354-M358 WeakPolarHBondContact O-CB 3.32Å; Y354-M358 WeakPolarHBondContact O-CG 3.1Å; Y354-M358 PolarHBondContact O-N 3.33Å; Y354-S472 VanDerWaalsContact C-OG 3.26Å
355G89.9Confident86.1Confident0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-59.7-4417600000112F351 A352 Y353 S472 Y490F351-G355 PolarHBondContact O-N 3.06Å; A352-G355 PolarHBondContact O-N 3.23Å; Y353-G355 VanDerWaalsContact C-N 3.34Å; G355-S472 WeakPolarHBondContact CA-OG 3.41Å; G355-S472 PolarHBondContact N-OG 2.96Å; G355-Y490 VanDerWaalsContact CA-CZ 3.41Å
356L88.6Confident85.7Confident0 Ų019 Ų190%012%0.12CC..Hα-helixtrans-76.2-41.7179.8-162.368.5000112.7A352 Y354 M358 D359 F363 F374 I409 A427 K431A352-L356 WeakPolarHBondContact O-CB 3.36Å; A352-L356 PolarHBondContact O-N 3.04Å; Y354-L356 VanDerWaalsContact C-N 3.3Å; Y354-L356 PolarHBondContact O-N 3.05Å; L356-M358 VanDerWaalsContact C-N 3.27Å; L356-M358 PolarHBondContact O-N 2.85Å; L356-D359 PolarHBondContact O-N 3.41Å; L356-F363 HydrophobicContact CD1-CE1 4.4Å; L356-F363 HydrophobicContact CD1-CZ 3.7Å; L356-F363 HydrophobicContact CG-CZ 4.42Å; L356-F374 HydrophobicContact CG-CE2 4.42Å; L356-F374 HydrophobicContact CG-CZ 4.26Å; L356-I409 HydrophobicContact CD2-CD1 4.44Å; L356-I409 HydrophobicContact CD2-CG1 4.43Å; L356-A427 HydrophobicContact CD1-CB 4.23Å; L356-A427 WeakPolarHBondContact CD2-O 3.44Å; L356-K431 HydrophobicContact CD2-CB 3.78Å; L356-K431 HydrophobicContact CD2-CG 4.47Å
357V85.3Confident85.2Confident1 Ų119.6 Ų19.61%0.00612%0.124CC..Hα-helixtrans-68.4-26.4-179.4170.10000112.4T36 N39 Y353 Y354 L360 F374 K431T36-V357 HydrophobicContact CG2-CG1 3.96Å; N39-V357 PolarHBondContact ND2-O 3.17Å; Y353-V357 HydrophobicContact CD1-CG2 4.33Å; Y353-V357 HydrophobicContact CE1-CG2 4.04Å; Y353-V357 HydrophobicContact CE2-CG2 4.49Å; Y353-V357 WeakPolarHBondContact O-CB 2.94Å; Y353-V357 VanDerWaalsContact O-CG2 3.22Å; Y353-V357 WeakPolarHBondContact O-CG2 3.17Å; Y353-V357 PolarHBondContact O-N 2.95Å; Y354-V357 PolarHBondContact O-N 3.38Å; V357-L360 WeakPolarHBondContact O-CD2 3.11Å; V357-L360 WeakPolarHBondContact O-CG 3.06Å; V357-F374 HydrophobicContact CG2-CD2 4.26Å; V357-K431 HydrophobicContact CG2-CG 4.32Å
358M80.2Confident84.9Confident5 Ų518.7 Ų18.73%0.02512%0.119CC..Hα-helixtrans-87.9-14.2-179.9-63.1-65.5160.800113.3Q138 M142 Y354 L356 L360Q138-M358 HydrophobicContact CG-CE 4.4Å; Q138-M358 HydrophobicContact CG-CG 4.45Å; Q138-M358 HydrophobicContact CG-SD 3.88Å; M142-M358 HydrophobicContact CE-CE 4.01Å; Y354-M358 HydrophobicContact CD1-CE 3.74Å; Y354-M358 HydrophobicContact CE1-CE 4.27Å; Y354-M358 VanDerWaalsContact O-CB 3.24Å; Y354-M358 WeakPolarHBondContact O-CB 3.32Å; Y354-M358 WeakPolarHBondContact O-CG 3.1Å; Y354-M358 PolarHBondContact O-N 3.33Å; L356-M358 VanDerWaalsContact C-N 3.27Å; L356-M358 PolarHBondContact O-N 2.85Å; M358-L360 PolarHBondContact O-N 2.91Å
359D75.6Confident84.5Confident49 Ų4922.8 Ų22.826%0.26214%0.141SC..  trans-99.642.6-179.6-165.928.7000113.5L356 Q361 G362 F363L356-D359 PolarHBondContact O-N 3.41Å; D359-Q361 PolarHBondContact O-N 3.45Å; D359-G362 PolarHBondContact O-N 3.23Å; D359-G362 VanDerWaalsContact O-N 3.13Å; D359-F363 WeakPolarHBondContact O-CD2 3.25Å; D359-F363 WeakPolarHBondContact O-CE2 3.22Å
360L73.3Confident84.2Confident2 Ų222.8 Ų22.81%0.0114%0.141CC..G310 helixtrans-63.8-26.8-175.7-62.7-171.5000114.3N39 V357 M358 G362 I370 Q371 F374N39-L360 HydrophobicContact CB-CD1 3.82Å; N39-L360 HydrophobicContact CB-CG 4.45Å; N39-L360 VanDerWaalsContact ND2-CD1 3.29Å; N39-L360 WeakPolarHBondContact ND2-CD1 3.43Å; V357-L360 WeakPolarHBondContact O-CD2 3.11Å; V357-L360 WeakPolarHBondContact O-CG 3.06Å; M358-L360 PolarHBondContact O-N 2.91Å; L360-G362 PolarHBondContact O-N 3.42Å; L360-I370 HydrophobicContact CB-CG2 3.78Å; L360-I370 HydrophobicContact CD1-CG2 4.16Å; L360-I370 HydrophobicContact CD2-CG1 4.09Å; L360-I370 HydrophobicContact CD2-CG2 3.99Å; L360-I370 HydrophobicContact CG-CG2 4.18Å; L360-Q371 HydrophobicContact CD1-CB 4.13Å; L360-Q371 VanDerWaalsContact CD1-OE1 3.25Å; L360-F374 HydrophobicContact CD2-CD2 3.57Å; L360-F374 HydrophobicContact CD2-CE2 3.45Å; L360-F374 VanDerWaalsContact CD2-CE2 3.45Å; L360-F374 HydrophobicContact CD2-CZ 4.37Å
361Q71.6Confident83.9Confident63 Ų6322.7 Ų22.729%0.29414%0.14SC..G310 helixtrans-73.7-20.2179.6-64.8-169.4-67.900112I44 D359 F363 I367I44-Q361 PolarHBondContact O-NE2 3.49Å; I44-Q361 VanDerWaalsContact O-NE2 3.15Å; D359-Q361 PolarHBondContact O-N 3.45Å; Q361-F363 PolarHBondContact O-N 3.07Å; Q361-I367 HydrophobicContact CG-CG2 3.8Å
362G72.6Confident83.7Confident24 Ų2425.1 Ų25.125%0.24716%0.155CC..G310 helixtrans-71.8-6.1-176.600000114.8D359 L360 R423D359-G362 PolarHBondContact O-N 3.23Å; D359-G362 VanDerWaalsContact O-N 3.13Å; L360-G362 PolarHBondContact O-N 3.42Å; G362-R423 PolarHBondContact O-NE 2.94Å; G362-R423 PolarHBondContact O-NH1 3.26Å; G362-R423 PolarHBondContact O-NH2 2.96Å
363F73.8Confident83.5Confident1 Ų127.4 Ų27.40%0.00417%0.167CC..G310 helixtrans-99.2-10.2-170.1-61.4-66.4000116.1L356 D359 Q361 V365 I370 F374 R423 A427L356-F363 HydrophobicContact CD1-CE1 4.4Å; L356-F363 HydrophobicContact CD1-CZ 3.7Å; L356-F363 HydrophobicContact CG-CZ 4.42Å; D359-F363 WeakPolarHBondContact O-CD2 3.25Å; D359-F363 WeakPolarHBondContact O-CE2 3.22Å; Q361-F363 PolarHBondContact O-N 3.07Å; F363-V365 VanDerWaalsContact C-N 3.26Å; F363-V365 PolarHBondContact O-N 3.38Å; F363-I370 HydrophobicContact CB-CD1 4.4Å; F363-I370 HydrophobicContact CD2-CD1 4.2Å; F363-I370 HydrophobicContact CD2-CG1 3.98Å; F363-I370 HydrophobicContact CG-CD1 4.36Å; F363-F374 HydrophobicContact CE2-CE2 4.44Å; F363-F374 AromaticContact CE2-CZ 3.99Å; F363-F374 HydrophobicContact CE2-CZ 3.99Å; F363-F374 HydrophobicContact CZ-CZ 4.4Å; F363-R423 HydrophobicContact CD1-CG 4.19Å; F363-R423 PolarHBondContact O-NH2 2.95Å; F363-A427 HydrophobicContact CD1-CB 3.87Å; F363-A427 HydrophobicContact CE1-CB 3.32Å; F363-A427 HydrophobicContact CE2-CB 4.49Å; F363-A427 HydrophobicContact CZ-CB 3.69Å
364G70.1Confident83.3Confident56 Ų5626.7 Ų26.758%0.57716%0.164SC*.SBendtrans73.618.7177.800000113.8
365V80.6Confident83.1Confident41 Ų4125.8 Ų25.825%0.24816%0.16CC..SBendtrans-120.9156.7173.7-179.10000107.5F363 I367 L369 T424F363-V365 VanDerWaalsContact C-N 3.26Å; F363-V365 PolarHBondContact O-N 3.38Å; V365-I367 PolarHBondContact O-N 2.91Å; V365-L369 HydrophobicContact CG1-CB 4.06Å; V365-L369 HydrophobicContact CG1-CD2 3.67Å; V365-L369 HydrophobicContact CG1-CG 4.07Å; V365-T424 WeakPolarHBondContact CG2-OG1 3.3Å
366S85.8Confident83.1Confident67 Ų6727.6 Ų27.647%0.46918%0.175SC..  trans-55.6137177.873.30000111.3Y368 L369 I370S366-Y368 PolarHBondContact O-N 3.37Å; S366-Y368 VanDerWaalsContact O-N 3.12Å; S366-L369 PolarHBondContact O-N 3.39Å; S366-L369 VanDerWaalsContact OG-CB 3.22Å; S366-L369 WeakPolarHBondContact OG-CB 3.04Å; S366-L369 PolarHBondContact OG-N 3.24Å; S366-I370 PolarHBondContact O-N 3.27Å; S366-I370 VanDerWaalsContact O-N 3.1Å
367I87.1Confident83.2Confident14 Ų1428.8 Ų28.87%0.07218%0.183CC..Hα-helixtrans-61.3-26.4-175.667.2166.2000112.6F40 A43 F116 Q361 V365 I370 Q371F40-I367 HydrophobicContact CD1-CD1 3.5Å; F40-I367 HydrophobicContact CD1-CG1 4.02Å; F40-I367 HydrophobicContact CE1-CD1 3.91Å; F40-I367 HydrophobicContact CE1-CG1 3.91Å; F40-I367 HydrophobicContact CG-CD1 4.41Å; A43-I367 HydrophobicContact CB-CD1 3.99Å; F116-I367 HydrophobicContact CE1-CD1 3.82Å; F116-I367 HydrophobicContact CE2-CD1 4.1Å; F116-I367 HydrophobicContact CZ-CD1 3.22Å; F116-I367 HydrophobicContact CZ-CG1 3.79Å; Q361-I367 HydrophobicContact CG-CG2 3.8Å; V365-I367 PolarHBondContact O-N 2.91Å; I367-I370 VanDerWaalsContact O-CG2 3.24Å; I367-I370 WeakPolarHBondContact O-CG2 3.5Å; I367-Q371 WeakPolarHBondContact O-CB 3.4Å; I367-Q371 PolarHBondContact O-N 3.44Å
368Y89.3Confident83.3Confident26 Ų2628.9 Ų28.910%0.10218%0.183CC..Hα-helixtrans-69.2-47.7175.3-56.3-71.4000111.5F40 F116 A241 Y242 S366 Q371 V372F40-Y368 AromaticContact CD1-CD1 3.89Å; F40-Y368 HydrophobicContact CD1-CD1 3.89Å; F40-Y368 AromaticContact CD1-CE1 3.6Å; F40-Y368 HydrophobicContact CD1-CE1 3.6Å; F40-Y368 AromaticContact CE1-CD1 3.37Å; F40-Y368 HydrophobicContact CE1-CD1 3.37Å; F40-Y368 AromaticContact CE1-CE1 3.62Å; F40-Y368 HydrophobicContact CE1-CE1 3.62Å; F40-Y368 HydrophobicContact CE1-CG 4.21Å; F40-Y368 HydrophobicContact CZ-CD1 4.32Å; F116-Y368 HydrophobicContact CE1-CE2 4.41Å; F116-Y368 AromaticContact CE1-CZ 3.88Å; F116-Y368 WeakPolarHBondContact CE1-OH 3.09Å; F116-Y368 HydrophobicContact CZ-CE2 4.13Å; A241-Y368 HydrophobicContact CB-CD1 4.27Å; A241-Y368 HydrophobicContact CB-CE1 3.82Å; A241-Y368 VanDerWaalsContact O-CE1 3.3Å; A241-Y368 WeakPolarHBondContact O-CE1 3.13Å; A241-Y368 PolarHBondContact O-OH 3.17Å; Y242-Y368 HydrophobicContact CD2-CD1 4.5Å; Y242-Y368 AromaticContact CD2-CD2 4Å; Y242-Y368 HydrophobicContact CD2-CD2 4Å; Y242-Y368 HydrophobicContact CD2-CE2 4.19Å; Y242-Y368 HydrophobicContact CD2-CG 4.14Å; S366-Y368 PolarHBondContact O-N 3.37Å; S366-Y368 VanDerWaalsContact O-N 3.12Å; Y368-Q371 PolarHBondContact O-N 2.89Å; Y368-V372 WeakPolarHBondContact O-CG2 3.36Å; Y368-V372 PolarHBondContact O-N 3.36Å; Y368-V372 VanDerWaalsContact O-N 3.09Å
369L88.9Confident83.6Confident87 Ų8731.7 Ų31.746%0.45520%0.198SC..Hα-helixtrans-67.4-43.5-177.8-179.359.3000111.1V365 S366 Q371 V372 I373V365-L369 HydrophobicContact CG1-CB 4.06Å; V365-L369 HydrophobicContact CG1-CD2 3.67Å; V365-L369 HydrophobicContact CG1-CG 4.07Å; S366-L369 PolarHBondContact O-N 3.39Å; S366-L369 VanDerWaalsContact OG-CB 3.22Å; S366-L369 WeakPolarHBondContact OG-CB 3.04Å; S366-L369 PolarHBondContact OG-N 3.24Å; L369-Q371 VanDerWaalsContact C-N 3.3Å; L369-Q371 PolarHBondContact O-N 3.33Å; L369-V372 WeakPolarHBondContact O-CB 3.38Å; L369-V372 PolarHBondContact O-N 3.13Å; L369-V372 VanDerWaalsContact O-N 3.15Å; L369-I373 HydrophobicContact CD1-CD1 4.17Å; L369-I373 HydrophobicContact CD1-CG1 4.26Å; L369-I373 HydrophobicContact CG-CD1 3.85Å; L369-I373 HydrophobicContact CG-CG1 4.39Å; L369-I373 VanDerWaalsContact O-CG1 3.27Å; L369-I373 WeakPolarHBondContact O-CG1 3.5Å; L369-I373 PolarHBondContact O-N 3.38Å
370I88.9Confident84.3Confident0 Ų032.6 Ų32.60%021%0.207CC..Hα-helixtrans-62.6-37.8177.5-16970.7000111.8L360 F363 S366 I367 V372 I373 F374 T424L360-I370 HydrophobicContact CB-CG2 3.78Å; L360-I370 HydrophobicContact CD1-CG2 4.16Å; L360-I370 HydrophobicContact CD2-CG1 4.09Å; L360-I370 HydrophobicContact CD2-CG2 3.99Å; L360-I370 HydrophobicContact CG-CG2 4.18Å; F363-I370 HydrophobicContact CB-CD1 4.4Å; F363-I370 HydrophobicContact CD2-CD1 4.2Å; F363-I370 HydrophobicContact CD2-CG1 3.98Å; F363-I370 HydrophobicContact CG-CD1 4.36Å; S366-I370 PolarHBondContact O-N 3.27Å; S366-I370 VanDerWaalsContact O-N 3.1Å; I367-I370 VanDerWaalsContact O-CG2 3.24Å; I367-I370 WeakPolarHBondContact O-CG2 3.5Å; I370-V372 PolarHBondContact O-N 2.87Å; I370-I373 PolarHBondContact O-N 3.47Å; I370-F374 HydrophobicContact CD1-CD1 4.07Å; I370-F374 HydrophobicContact CD1-CE1 3.62Å; I370-F374 HydrophobicContact CD1-CZ 4.09Å; I370-F374 HydrophobicContact CG1-CD1 4.21Å; I370-F374 HydrophobicContact CG1-CE1 3.95Å; I370-F374 HydrophobicContact CG1-CE2 4.42Å; I370-F374 HydrophobicContact CG1-CZ 4.06Å; I370-F374 WeakPolarHBondContact O-CB 3.39Å; I370-F374 WeakPolarHBondContact O-CG 3.38Å; I370-F374 PolarHBondContact O-N 3.22Å; I370-T424 HydrophobicContact CD1-CG2 3.67Å
371Q88.8Confident85.1Confident0 Ų033.3 Ų33.30%021%0.212CC..Hα-helixtrans-63.1-41.2174.3-178.771.411.700111.6T36 F40 A238 L360 I367 Y368 L369 F374 G375T36-Q371 PolarHBondContact OG1-NE2 3.46Å; F40-Q371 HydrophobicContact CE2-CB 4.48Å; F40-Q371 HydrophobicContact CE2-CG 4.06Å; F40-Q371 HydrophobicContact CZ-CB 3.79Å; F40-Q371 HydrophobicContact CZ-CG 3.81Å; A238-Q371 HydrophobicContact CB-CB 4.06Å; A238-Q371 HydrophobicContact CB-CG 3.81Å; L360-Q371 HydrophobicContact CD1-CB 4.13Å; L360-Q371 VanDerWaalsContact CD1-OE1 3.25Å; I367-Q371 WeakPolarHBondContact O-CB 3.4Å; I367-Q371 PolarHBondContact O-N 3.44Å; Y368-Q371 PolarHBondContact O-N 2.89Å; L369-Q371 VanDerWaalsContact C-N 3.3Å; L369-Q371 PolarHBondContact O-N 3.33Å; Q371-F374 PolarHBondContact O-N 3.39Å; Q371-G375 PolarHBondContact O-N 3.08Å
372V90.7Very high85.7Confident55 Ų5531.9 Ų31.933%0.33321%0.205SC..Hα-helixtrans-62.6-47174.4170.80000110.7F235 A238 Y368 L369 I370 F374 G375 A376F235-V372 HydrophobicContact CD1-CG1 4.03Å; F235-V372 HydrophobicContact CE1-CG1 3.95Å; F235-V372 VanDerWaalsContact CE1-O 3.23Å; F235-V372 WeakPolarHBondContact CE1-O 3.32Å; A238-V372 HydrophobicContact CB-CG2 3.58Å; Y368-V372 WeakPolarHBondContact O-CG2 3.36Å; Y368-V372 PolarHBondContact O-N 3.36Å; Y368-V372 VanDerWaalsContact O-N 3.09Å; L369-V372 WeakPolarHBondContact O-CB 3.38Å; L369-V372 PolarHBondContact O-N 3.13Å; L369-V372 VanDerWaalsContact O-N 3.15Å; I370-V372 PolarHBondContact O-N 2.87Å; V372-F374 VanDerWaalsContact C-N 3.33Å; V372-F374 PolarHBondContact O-N 3.31Å; V372-G375 PolarHBondContact O-N 3.44Å; V372-A376 WeakPolarHBondContact O-CB 3.24Å; V372-A376 PolarHBondContact O-N 2.93Å
373I90.3Very high86.4Confident49 Ų4935.1 Ų35.125%0.25122%0.216SC..Hα-helixtrans-63.8-41.6-179.9-61.7165000110.5L369 I370 A376 V377 T424 V428L369-I373 HydrophobicContact CD1-CD1 4.17Å; L369-I373 HydrophobicContact CD1-CG1 4.26Å; L369-I373 HydrophobicContact CG-CD1 3.85Å; L369-I373 HydrophobicContact CG-CG1 4.39Å; L369-I373 VanDerWaalsContact O-CG1 3.27Å; L369-I373 WeakPolarHBondContact O-CG1 3.5Å; L369-I373 PolarHBondContact O-N 3.38Å; I370-I373 PolarHBondContact O-N 3.47Å; I373-A376 PolarHBondContact O-N 3.29Å; I373-A376 VanDerWaalsContact O-N 3.17Å; I373-V377 PolarHBondContact O-N 3.27Å; I373-T424 HydrophobicContact CD1-CG2 4.49Å; I373-V428 HydrophobicContact CB-CG2 4.47Å; I373-V428 HydrophobicContact CG2-CB 4.34Å; I373-V428 HydrophobicContact CG2-CG1 3.94Å; I373-V428 HydrophobicContact CG2-CG2 3.38Å
374F88.3Confident87.1Confident1 Ų139.1 Ų39.10%0.00424%0.241CC..Hα-helixtrans-64-43.2175.4-81.514.1000111.4L356 V357 L360 F363 I370 Q371 V372 A376 V377 A427 V428 K431L356-F374 HydrophobicContact CG-CE2 4.42Å; L356-F374 HydrophobicContact CG-CZ 4.26Å; V357-F374 HydrophobicContact CG2-CD2 4.26Å; L360-F374 HydrophobicContact CD2-CD2 3.57Å; L360-F374 HydrophobicContact CD2-CE2 3.45Å; L360-F374 VanDerWaalsContact CD2-CE2 3.45Å; L360-F374 HydrophobicContact CD2-CZ 4.37Å; F363-F374 HydrophobicContact CE2-CE2 4.44Å; F363-F374 AromaticContact CE2-CZ 3.99Å; F363-F374 HydrophobicContact CE2-CZ 3.99Å; F363-F374 HydrophobicContact CZ-CZ 4.4Å; I370-F374 HydrophobicContact CD1-CD1 4.07Å; I370-F374 HydrophobicContact CD1-CE1 3.62Å; I370-F374 HydrophobicContact CD1-CZ 4.09Å; I370-F374 HydrophobicContact CG1-CD1 4.21Å; I370-F374 HydrophobicContact CG1-CE1 3.95Å; I370-F374 HydrophobicContact CG1-CE2 4.42Å; I370-F374 HydrophobicContact CG1-CZ 4.06Å; I370-F374 WeakPolarHBondContact O-CB 3.39Å; I370-F374 WeakPolarHBondContact O-CG 3.38Å; I370-F374 PolarHBondContact O-N 3.22Å; Q371-F374 PolarHBondContact O-N 3.39Å; V372-F374 VanDerWaalsContact C-N 3.33Å; V372-F374 PolarHBondContact O-N 3.31Å; F374-A376 VanDerWaalsContact C-N 3.26Å; F374-A376 PolarHBondContact O-N 3.19Å; F374-V377 WeakPolarHBondContact O-CG1 3.36Å; F374-A427 HydrophobicContact CE1-CB 4.32Å; F374-A427 HydrophobicContact CZ-CB 4.2Å; F374-V428 HydrophobicContact CD1-CG2 4.07Å; F374-V428 HydrophobicContact CE1-CG2 3.88Å; F374-K431 HydrophobicContact CB-CD 4.31Å; F374-K431 HydrophobicContact CD1-CG 4.45Å; F374-K431 HydrophobicContact CD2-CG 4.24Å; F374-K431 HydrophobicContact CG-CD 4.35Å; F374-K431 HydrophobicContact CG-CG 4.22Å; F374-K431 WeakPolarHBondContact O-CE 3.24Å; F374-K431 PolarHBondContact O-NZ 3.26Å
375G86.7Confident87.9Confident0 Ų036.9 Ų36.90%022%0.217CC..Hα-helixtrans-58.8-39.6171.600000112.3F235 Q371 V372 D378F235-G375 VanDerWaalsContact CE2-O 3.25Å; F235-G375 WeakPolarHBondContact CE2-O 3.07Å; Q371-G375 PolarHBondContact O-N 3.08Å; V372-G375 PolarHBondContact O-N 3.44Å; G375-D378 WeakPolarHBondContact O-CB 3.31Å
376A89.6Confident88.1Confident39 Ų3939.8 Ų39.832%0.32223%0.227SC..Hα-helixtrans-70.6-45.1-176.700000114.2F235 V372 I373 F374 D378 L379 P380F235-A376 HydrophobicContact CE1-CB 3.68Å; F235-A376 HydrophobicContact CZ-CB 3.45Å; F235-A376 VanDerWaalsContact CZ-CB 3.45Å; V372-A376 WeakPolarHBondContact O-CB 3.24Å; V372-A376 PolarHBondContact O-N 2.93Å; I373-A376 PolarHBondContact O-N 3.29Å; I373-A376 VanDerWaalsContact O-N 3.17Å; F374-A376 VanDerWaalsContact C-N 3.26Å; F374-A376 PolarHBondContact O-N 3.19Å; A376-D378 PolarHBondContact O-N 3.17Å; A376-L379 PolarHBondContact O-N 2.85Å; A376-P380 WeakPolarHBondContact O-CD 3.38Å
377V91.2Very high88.2Confident25 Ų2541.4 Ų41.415%0.15223%0.23CC..Hα-helixtrans-65.4-22.8-178.372.50000112.5I373 F374 L379 P380 A381 V428 K431I373-V377 PolarHBondContact O-N 3.27Å; F374-V377 WeakPolarHBondContact O-CG1 3.36Å; V377-L379 VanDerWaalsContact C-N 3.32Å; V377-L379 PolarHBondContact O-N 2.83Å; V377-P380 VanDerWaalsContact O-CD 3.32Å; V377-P380 WeakPolarHBondContact O-CD 3.45Å; V377-P380 WeakPolarHBondContact O-CG 3.13Å; V377-A381 WeakPolarHBondContact O-CB 3.44Å; V377-A381 PolarHBondContact O-N 3.33Å; V377-V428 HydrophobicContact CB-CG1 3.77Å; V377-V428 HydrophobicContact CG1-CG1 4.09Å; V377-V428 HydrophobicContact CG2-CG1 3.71Å; V377-K431 HydrophobicContact CG1-CD 3.62Å
378D85.7Confident88.3Confident3 Ų342.9 Ų42.92%0.01624%0.239CC..Hα-helixtrans-60.3-39.3179-123.637000113S231 G375 A376 K382 K431 A435S231-D378 PolarHBondContact OG-OD2 2.89Å; G375-D378 WeakPolarHBondContact O-CB 3.31Å; A376-D378 PolarHBondContact O-N 3.17Å; D378-K382 WeakPolarHBondContact O-CB 3.45Å; D378-K382 WeakPolarHBondContact O-CD 3.31Å; D378-K382 WeakPolarHBondContact O-CG 3.07Å; D378-K382 PolarHBondContact O-N 2.88Å; D378-K382 VanDerWaalsContact O-N 3.13Å; D378-K382 IonicContact OD2-NZ 3.23Å; D378-K382 PolarHBondContact OD2-NZ 3.13Å; D378-K431 IonicContact OD1-NZ 2.99Å; D378-K431 PolarHBondContact OD1-NZ 3.37Å; D378-K431 IonicContact OD2-NZ 3.65Å; D378-A435 WeakPolarHBondContact OD1-CB 3.37Å
379L86.6Confident88.2Confident63 Ų6341.8 Ų41.833%0.3324%0.235SC..Hα-helixtrans-67.4-58.6-177.5-57.8175.8000112.5Y228 F235 A376 V377 A381 K382 L383Y228-L379 HydrophobicContact CD1-CD2 3.36Å; Y228-L379 HydrophobicContact CE1-CD2 3.9Å; Y228-L379 HydrophobicContact CG-CD2 4.34Å; F235-L379 HydrophobicContact CE2-CD1 4.04Å; A376-L379 PolarHBondContact O-N 2.85Å; V377-L379 VanDerWaalsContact C-N 3.32Å; V377-L379 PolarHBondContact O-N 2.83Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 3.43Å; L379-K382 PolarHBondContact O-N 3.22Å; L379-L383 PolarHBondContact O-N 3.22Å
380P90.5Very high88.1Confident69 Ų6941.4 Ų41.445%0.44823%0.233SC..Hα-helixtrans-66.9-34.9178.429.1-34.5000111.7A376 V377 K382 L383 V384A376-P380 WeakPolarHBondContact O-CD 3.38Å; V377-P380 VanDerWaalsContact O-CD 3.32Å; V377-P380 WeakPolarHBondContact O-CD 3.45Å; V377-P380 WeakPolarHBondContact O-CG 3.13Å; P380-K382 PolarHBondContact O-N 2.8Å; P380-L383 PolarHBondContact O-N 3.26Å; P380-V384 WeakPolarHBondContact O-CG2 3.37Å; P380-V384 PolarHBondContact O-N 2.89Å
381A90.3Very high88Confident16 Ų1645.4 Ų45.413%0.13226%0.261CS..Hα-helixtrans-64.7-38.717900000112.5V377 L379 G385 G432V377-A381 WeakPolarHBondContact O-CB 3.44Å; V377-A381 PolarHBondContact O-N 3.33Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 3.43Å; A381-G385 PolarHBondContact O-N 3.39Å; A381-G432 WeakPolarHBondContact CB-O 3.42Å
382K83.4Confident88Confident34 Ų3450.8 Ų50.815%0.14829%0.29CS..Hα-helixtrans-64.6-39.6173.3-74.9168-172.5167.60111.9S231 D378 L379 P380 F386S231-K382 PolarHBondContact OG-NZ 3.45Å; D378-K382 WeakPolarHBondContact O-CB 3.45Å; D378-K382 WeakPolarHBondContact O-CD 3.31Å; D378-K382 WeakPolarHBondContact O-CG 3.07Å; D378-K382 PolarHBondContact O-N 2.88Å; D378-K382 VanDerWaalsContact O-N 3.13Å; D378-K382 IonicContact OD2-NZ 3.23Å; D378-K382 PolarHBondContact OD2-NZ 3.13Å; L379-K382 PolarHBondContact O-N 3.22Å; P380-K382 PolarHBondContact O-N 2.8Å; K382-F386 WeakPolarHBondContact O-CB 3.43Å; K382-F386 PolarHBondContact O-N 3.4Å
383L87.4Confident87.9Confident92 Ų9248.2 Ų48.248%0.48227%0.274SS..Hα-helixtrans-65.5-49.2176.8-178.765.8000111.7L379 P380 G385 F386 L387L379-L383 PolarHBondContact O-N 3.22Å; P380-L383 PolarHBondContact O-N 3.26Å; L383-G385 VanDerWaalsContact C-N 3.33Å; L383-G385 PolarHBondContact O-N 3.39Å; L383-F386 WeakPolarHBondContact O-CB 3.48Å; L383-F386 PolarHBondContact O-N 2.85Å; L383-L387 WeakPolarHBondContact O-CG 3.4Å; L383-L387 PolarHBondContact O-N 2.96Å; L383-L387 VanDerWaalsContact O-N 3.08Å
384V89.1Confident87.9Confident85 Ų8547.2 Ų47.252%0.51527%0.267SS..Hα-helixtrans-60.5-45.5176.2173.10000110.2P380 F386 L387 V388P380-V384 WeakPolarHBondContact O-CG2 3.37Å; P380-V384 PolarHBondContact O-N 2.89Å; V384-F386 VanDerWaalsContact C-N 3.31Å; V384-F386 PolarHBondContact O-N 3.41Å; V384-L387 PolarHBondContact O-N 2.97Å; V384-L387 VanDerWaalsContact O-N 3.13Å; V384-V388 HydrophobicContact CG1-CG2 4.14Å; V384-V388 VanDerWaalsContact O-CG2 3.26Å; V384-V388 WeakPolarHBondContact O-CG2 3.39Å; V384-V388 PolarHBondContact O-N 3.35Å
385G86.1Confident88.2Confident8 Ų851.1 Ų51.18%0.08228%0.282CS..Hα-helixtrans-55-46.1175.100000112.2A381 L383 L387 V388 I389A381-G385 PolarHBondContact O-N 3.39Å; L383-G385 VanDerWaalsContact C-N 3.33Å; L383-G385 PolarHBondContact O-N 3.39Å; G385-L387 PolarHBondContact O-N 2.99Å; G385-V388 PolarHBondContact O-N 3.12Å; G385-I389 WeakPolarHBondContact O-CB 3.17Å; G385-I389 VanDerWaalsContact O-CD1 3.27Å; G385-I389 WeakPolarHBondContact O-CD1 3.45Å; G385-I389 WeakPolarHBondContact O-CG1 3.39Å; G385-I389 PolarHBondContact O-N 3.42Å
386F85.3Confident88.5Confident103 Ų10353.1 Ų53.145%0.45230%0.295SS..Hα-helixtrans-59-43.7175.8176.6-100.3000113K382 L383 V384 N390K382-F386 WeakPolarHBondContact O-CB 3.43Å; K382-F386 PolarHBondContact O-N 3.4Å; L383-F386 WeakPolarHBondContact O-CB 3.48Å; L383-F386 PolarHBondContact O-N 2.85Å; V384-F386 VanDerWaalsContact C-N 3.31Å; V384-F386 PolarHBondContact O-N 3.41Å; F386-N390 WeakPolarHBondContact CE1-ND2 3.29Å; F386-N390 WeakPolarHBondContact CZ-ND2 3.33Å; F386-N390 PolarHBondContact O-N 3.27Å
387L87.9Confident88.7Confident100 Ų10051.6 Ų51.652%0.52428%0.282SS..Hα-helixtrans-65.5-41.8177.2-65.1174.4000112.2L383 V384 G385 N390 S391L383-L387 WeakPolarHBondContact O-CG 3.4Å; L383-L387 PolarHBondContact O-N 2.96Å; L383-L387 VanDerWaalsContact O-N 3.08Å; V384-L387 PolarHBondContact O-N 2.97Å; V384-L387 VanDerWaalsContact O-N 3.13Å; G385-L387 PolarHBondContact O-N 2.99Å; L387-N390 PolarHBondContact O-N 3.43Å; L387-S391 WeakPolarHBondContact O-CB 3.49Å; L387-S391 PolarHBondContact O-N 2.97Å; L387-S391 PolarHBondContact O-OG 3.01Å
388V89.4Confident88.8Confident45 Ų4550.4 Ų50.427%0.27328%0.275SS..Hα-helixtrans-63.9-45.9177.9171.30000110.7V384 G385 N390 S391 L392 A397V384-V388 HydrophobicContact CG1-CG2 4.14Å; V384-V388 VanDerWaalsContact O-CG2 3.26Å; V384-V388 WeakPolarHBondContact O-CG2 3.39Å; V384-V388 PolarHBondContact O-N 3.35Å; G385-V388 PolarHBondContact O-N 3.12Å; V388-N390 VanDerWaalsContact C-N 3.26Å; V388-N390 PolarHBondContact O-N 3.44Å; V388-S391 PolarHBondContact O-N 3.25Å; V388-S391 PolarHBondContact O-OG 3.49Å; V388-L392 HydrophobicContact CG1-CD1 4.1Å; V388-L392 PolarHBondContact O-N 3.29Å; V388-A397 HydrophobicContact CG1-CB 3.73Å
389I87.7Confident89.3Confident3 Ų353.4 Ų53.42%0.01529%0.29CS..Hα-helixtrans-60.1-37.4178.5-69160000111.7G385 G393 R394 A397 C440 L443G385-I389 WeakPolarHBondContact O-CB 3.17Å; G385-I389 VanDerWaalsContact O-CD1 3.27Å; G385-I389 WeakPolarHBondContact O-CD1 3.45Å; G385-I389 WeakPolarHBondContact O-CG1 3.39Å; G385-I389 PolarHBondContact O-N 3.42Å; I389-G393 CarbonylContact O-C 3.59Å; I389-G393 WeakPolarHBondContact O-CA 3.35Å; I389-G393 PolarHBondContact O-N 3.43Å; I389-R394 HydrophobicContact CG2-CG 4.01Å; I389-R394 PolarHBondContact O-NH1 3.01Å; I389-A397 HydrophobicContact CG1-CB 3.89Å; I389-C440 HydrophobicContact CD1-CB 3.64Å; I389-C440 HydrophobicContact CG1-CB 4.06Å; I389-L443 HydrophobicContact CG2-CD2 4.04Å
390N85.9Confident89.6Confident79 Ų7953 Ų5342%0.42230%0.295SS..Hα-helixtrans-78-29-179.5-75.1-9.5000113.5F386 L387 V388F386-N390 WeakPolarHBondContact CE1-ND2 3.29Å; F386-N390 WeakPolarHBondContact CZ-ND2 3.33Å; F386-N390 PolarHBondContact O-N 3.27Å; L387-N390 PolarHBondContact O-N 3.43Å; V388-N390 VanDerWaalsContact C-N 3.26Å; V388-N390 PolarHBondContact O-N 3.44Å
391S88.2Confident89.9Confident84 Ų8450.4 Ų50.459%0.58728%0.28SS*.Hα-helixtrans-93.3-47-176.751.30000113.3L387 V388L387-S391 WeakPolarHBondContact O-CB 3.49Å; L387-S391 PolarHBondContact O-N 2.97Å; L387-S391 PolarHBondContact O-OG 3.01Å; V388-S391 PolarHBondContact O-N 3.25Å; V388-S391 PolarHBondContact O-OG 3.49Å
392L88.7Confident90.2Very high114 Ų11449.6 Ų49.660%0.59727%0.273SS*.Hα-helixtrans-97.6-17.2-174.7-69.4167.1000113.1V388 P396V388-L392 HydrophobicContact CG1-CD1 4.1Å; V388-L392 PolarHBondContact O-N 3.29Å; L392-P396 HydrophobicContact CB-CG 4.13Å; L392-P396 WeakPolarHBondContact O-CG 3.33Å
393G88.7Confident90.8Very high0 Ų051.1 Ų51.10%028%0.283CS..  trans97.1176.9-174.800000113.1I389 A397I389-G393 CarbonylContact O-C 3.59Å; I389-G393 WeakPolarHBondContact O-CA 3.35Å; I389-G393 PolarHBondContact O-N 3.43Å; G393-A397 WeakPolarHBondContact O-CB 3.16Å
394R90.4Very high91.2Very high29 Ų2951.1 Ų51.111%0.10928%0.283CS..Hα-helixtrans-84.1-38.9-168.7-72.962.9164.6147.6-0.8111.4I389 Q398 C440 L443 Y444 E447 E506 T507I389-R394 HydrophobicContact CG2-CG 4.01Å; I389-R394 PolarHBondContact O-NH1 3.01Å; R394-Q398 VanDerWaalsContact O-CB 3.31Å; R394-Q398 WeakPolarHBondContact O-CB 3.28Å; R394-Q398 PolarHBondContact O-N 3.2Å; R394-C440 PolarHBondContact O-SG 3.43Å; R394-C440 VanDerWaalsContact O-SG 3.42Å; R394-L443 HydrophobicContact CG-CD2 3.6Å; R394-L443 VanDerWaalsContact NE-CD2 3.35Å; R394-Y444 HydrophobicContact CB-CD2 3.55Å; R394-Y444 HydrophobicContact CB-CE2 3.95Å; R394-Y444 HydrophobicContact CB-CG 3.9Å; R394-Y444 HydrophobicContact CG-CD2 4.19Å; R394-E447 WeakPolarHBondContact CD-OE2 3.43Å; R394-E447 IonicContact CZ-OE1 3.69Å; R394-E447 IonicContact CZ-OE2 2.73Å; R394-E447 IonicContact NE-OE1 2.8Å; R394-E447 PolarHBondContact NE-OE1 2.99Å; R394-E447 IonicContact NE-OE2 2.78Å; R394-E447 PolarHBondContact NE-OE2 3.08Å; R394-E447 IonicContact NH2-OE1 3.78Å; R394-E447 PolarHBondContact NH2-OE1 3.27Å; R394-E447 IonicContact NH2-OE2 3.44Å; R394-E506 PolarHBondContact N-OE1 3.05Å; R394-E506 PolarHBondContact N-OE2 2.69Å; R394-T507 WeakPolarHBondContact CD-OG1 3.43Å; R394-T507 WeakPolarHBondContact CG-OG1 3.11Å
395R93.1Very high91.6Very high82 Ų8247.1 Ų47.131%0.30926%0.258SS..Hα-helixtrans-65.3-54.7-179.2178.7-169.5163.2162.7-10.8112.3A397 Q398 M399 V502 L504 E506R395-A397 VanDerWaalsContact C-N 3.3Å; R395-A397 PolarHBondContact O-N 3.39Å; R395-Q398 PolarHBondContact O-N 3.38Å; R395-M399 WeakPolarHBondContact O-CB 3.27Å; R395-M399 PolarHBondContact O-N 3.49Å; R395-V502 VanDerWaalsContact CZ-O 3.24Å; R395-V502 PolarHBondContact NH1-O 2.97Å; R395-V502 PolarHBondContact NH2-O 2.71Å; R395-V502 VanDerWaalsContact NH2-O 3.17Å; R395-L504 WeakPolarHBondContact CD-O 3.43Å; R395-L504 PolarHBondContact NH1-O 2.88Å; R395-L504 VanDerWaalsContact NH1-O 3.17Å; R395-E506 WeakPolarHBondContact CB-OE2 3.49Å; R395-E506 PolarHBondContact N-OE2 3.45Å
396P92.8Very high92.1Very high42 Ų4246.7 Ų46.727%0.27325%0.254SS..Hα-helixtrans-67.7-32.4-179.127.4-33.1000111.7L392 M399 A400 E506L392-P396 HydrophobicContact CB-CG 4.13Å; L392-P396 WeakPolarHBondContact O-CG 3.33Å; P396-M399 PolarHBondContact O-N 2.98Å; P396-A400 WeakPolarHBondContact O-CB 3.35Å; P396-A400 PolarHBondContact O-N 3.17Å; P396-E506 WeakPolarHBondContact CD-OE2 3.08Å
397A93.4Very high92.6Very high7 Ų745.3 Ų45.36%0.05825%0.251CS..Hα-helixtrans-61.4-49.3173.700000111.8V388 I389 G393 R395 A401V388-A397 HydrophobicContact CG1-CB 3.73Å; I389-A397 HydrophobicContact CG1-CB 3.89Å; G393-A397 WeakPolarHBondContact O-CB 3.16Å; R395-A397 VanDerWaalsContact C-N 3.3Å; R395-A397 PolarHBondContact O-N 3.39Å; A397-A401 WeakPolarHBondContact O-CB 3.41Å; A397-A401 PolarHBondContact O-N 3.32Å
398Q94.6Very high93Very high0 Ų040.9 Ų40.90%023%0.228CC..Hα-helixtrans-62.9-43.6178.4-172.66319.200111.9R394 R395 L402 S437 C440 T501R394-Q398 VanDerWaalsContact O-CB 3.31Å; R394-Q398 WeakPolarHBondContact O-CB 3.28Å; R394-Q398 PolarHBondContact O-N 3.2Å; R395-Q398 PolarHBondContact O-N 3.38Å; Q398-L402 HydrophobicContact CG-CD1 4.37Å; Q398-L402 PolarHBondContact O-N 3.01Å; Q398-L402 VanDerWaalsContact O-N 3.11Å; Q398-S437 PolarHBondContact NE2-OG 2.72Å; Q398-S437 PolarHBondContact OE1-O 3.08Å; Q398-C440 VanDerWaalsContact OE1-CB 3.22Å; Q398-C440 PolarHBondContact OE1-SG 3.1Å; Q398-T501 HydrophobicContact CB-CG2 4.43Å; Q398-T501 HydrophobicContact CG-CG2 3.88Å
399M95.2Very high93.2Very high67 Ų6738.8 Ų38.833%0.3322%0.215SC..Hα-helixtrans-61.9-51.7178.4-172.4177.966.100111.2R395 P396 A401 L402 L403 T501 V502R395-M399 WeakPolarHBondContact O-CB 3.27Å; R395-M399 PolarHBondContact O-N 3.49Å; P396-M399 PolarHBondContact O-N 2.98Å; M399-A401 PolarHBondContact O-N 3.03Å; M399-L402 PolarHBondContact O-N 3.09Å; M399-L403 WeakPolarHBondContact O-CB 3.21Å; M399-L403 PolarHBondContact O-N 3.38Å; M399-T501 VanDerWaalsContact CB-OG1 3.26Å; M399-T501 WeakPolarHBondContact CB-OG1 3.36Å; M399-T501 WeakPolarHBondContact CG-OG1 3.12Å; M399-V502 HydrophobicContact SD-CG2 4.02Å
400A94.6Very high93.6Very high54 Ų5441 Ų4145%0.44623%0.227SC..Hα-helixtrans-63.5-41.8-179.200000111.6P396 L404P396-A400 WeakPolarHBondContact O-CB 3.35Å; P396-A400 PolarHBondContact O-N 3.17Å; A400-L404 WeakPolarHBondContact O-CB 3.29Å; A400-L404 PolarHBondContact O-N 3.23Å
401A95.1Very high93.9Very high14 Ų1441.4 Ų41.412%0.11623%0.229CC..Hα-helixtrans-62.4-46.5178.900000112.2A397 M399 A405 C433A397-A401 WeakPolarHBondContact O-CB 3.41Å; A397-A401 PolarHBondContact O-N 3.32Å; M399-A401 PolarHBondContact O-N 3.03Å; A401-A405 WeakPolarHBondContact O-CB 3.46Å; A401-A405 PolarHBondContact O-N 3.23Å; A401-C433 WeakPolarHBondContact O-CB 3.44Å
402L96.3Very high94.1Very high0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-69.9-41.3178.6-76.7176000112.9L345 Q398 M399 G406 L434 S437 P494 A497 T501L345-L402 HydrophobicContact CD2-CD1 3.38Å; Q398-L402 HydrophobicContact CG-CD1 4.37Å; Q398-L402 PolarHBondContact O-N 3.01Å; Q398-L402 VanDerWaalsContact O-N 3.11Å; M399-L402 PolarHBondContact O-N 3.09Å; L402-G406 PolarHBondContact O-N 3.42Å; L402-L434 HydrophobicContact CD2-CD2 4.47Å; L402-S437 WeakPolarHBondContact CD2-OG 3.49Å; L402-P494 HydrophobicContact CD2-CB 4.22Å; L402-A497 HydrophobicContact CD1-CB 4.36Å; L402-T501 HydrophobicContact CD1-CG2 4.38Å
403L96.9Very high94Very high66 Ų6632.4 Ų32.435%0.34618%0.176SC..Hα-helixtrans-65.8-48.4179.3-176.263.3000111M399 G406 I407 V495M399-L403 WeakPolarHBondContact O-CB 3.21Å; M399-L403 PolarHBondContact O-N 3.38Å; L403-G406 PolarHBondContact O-N 3.04Å; L403-I407 HydrophobicContact CD1-CD1 3.97Å; L403-I407 HydrophobicContact CD1-CG1 4.39Å; L403-I407 HydrophobicContact CG-CD1 3.86Å; L403-I407 WeakPolarHBondContact O-CB 3.32Å; L403-I407 VanDerWaalsContact O-CG1 3.28Å; L403-I407 WeakPolarHBondContact O-CG1 3.19Å; L403-I407 PolarHBondContact O-N 3.42Å; L403-V495 HydrophobicContact CD1-CG1 4.18Å; L403-V495 HydrophobicContact CD1-CG2 4.43Å
404L96.4Very high94.1Very high92 Ų9237.3 Ų37.348%0.48221%0.206SC..Hα-helixtrans-63.7-42177.8-176.158.6000111.3A400 C408 C433A400-L404 WeakPolarHBondContact O-CB 3.29Å; A400-L404 PolarHBondContact O-N 3.23Å; L404-C408 WeakPolarHBondContact O-CB 3.26Å; L404-C408 PolarHBondContact O-N 2.93Å; L404-C408 PolarHBondContact O-SG 3.49Å; L404-C433 VanDerWaalsContact CD2-SG 3.55Å
405A96.6Very high94Very high0 Ų037.5 Ų37.50%021%0.21CC..Hα-helixtrans-57.7-50.7173.600000112.1A401 C408 I409 C433 L434A401-A405 WeakPolarHBondContact O-CB 3.46Å; A401-A405 PolarHBondContact O-N 3.23Å; A405-C408 PolarHBondContact O-N 3.24Å; A405-I409 WeakPolarHBondContact O-CD1 3.48Å; A405-I409 VanDerWaalsContact O-CG1 3.25Å; A405-I409 WeakPolarHBondContact O-CG1 3.42Å; A405-I409 PolarHBondContact O-N 3.42Å; A405-C433 HydrophobicContact CB-CB 3.75Å; A405-L434 HydrophobicContact CB-CD1 4.5Å; A405-L434 HydrophobicContact CB-CD2 3.91Å; A405-L434 HydrophobicContact CB-CG 3.73Å
406G96.4Very high93.5Very high0 Ų037.5 Ų37.50%022%0.221CC..Hα-helixtrans-62.4-45.3-178.500000112.6L402 L403 I409 L410 G491L402-G406 PolarHBondContact O-N 3.42Å; L403-G406 PolarHBondContact O-N 3.04Å; G406-I409 PolarHBondContact O-N 3.15Å; G406-L410 WeakPolarHBondContact O-CB 3.22Å; G406-L410 VanDerWaalsContact O-CG 3.28Å; G406-L410 WeakPolarHBondContact O-CG 3.23Å; G406-L410 PolarHBondContact O-N 3.28Å; G406-G491 WeakPolarHBondContact CA-O 3.34Å
407I96.9Very high92.6Very high73 Ų7341.2 Ų41.237%0.37424%0.235SC..Hα-helixtrans-61.3-46.6176.5-67.7167.7000110.9L403 I409 L410 L411L403-I407 HydrophobicContact CD1-CD1 3.97Å; L403-I407 HydrophobicContact CD1-CG1 4.39Å; L403-I407 HydrophobicContact CG-CD1 3.86Å; L403-I407 WeakPolarHBondContact O-CB 3.32Å; L403-I407 VanDerWaalsContact O-CG1 3.28Å; L403-I407 WeakPolarHBondContact O-CG1 3.19Å; L403-I407 PolarHBondContact O-N 3.42Å; I407-I409 VanDerWaalsContact C-N 3.28Å; I407-I409 PolarHBondContact O-N 3.46Å; I407-L410 PolarHBondContact O-N 3.08Å; I407-L411 HydrophobicContact CG2-CD1 3.85Å; I407-L411 HydrophobicContact CG2-CG 4.2Å; I407-L411 WeakPolarHBondContact O-CB 3.33Å; I407-L411 VanDerWaalsContact O-CG 3.29Å; I407-L411 WeakPolarHBondContact O-CG 3.48Å; I407-L411 PolarHBondContact O-N 3.3Å
408C95.8Very high91.9Very high8 Ų847.6 Ų47.65%0.05427%0.268CS..Hα-helixtrans-58.1-41.1177.7-74.60000112.2L404 A405 N412L404-C408 WeakPolarHBondContact O-CB 3.26Å; L404-C408 PolarHBondContact O-N 2.93Å; L404-C408 PolarHBondContact O-SG 3.49Å; A405-C408 PolarHBondContact O-N 3.24Å; C408-N412 WeakPolarHBondContact O-CB 3.29Å; C408-N412 PolarHBondContact O-N 3.23Å
409I93.9Very high91.4Very high1 Ų152.4 Ų52.41%0.00529%0.29CS..Hα-helixtrans-71.9-39.5178.7-63.9166.2000111.4A352 L356 A405 G406 I407 N412 G413 L434 L487A352-I409 HydrophobicContact CB-CD1 4.38Å; L356-I409 HydrophobicContact CD2-CD1 4.44Å; L356-I409 HydrophobicContact CD2-CG1 4.43Å; A405-I409 WeakPolarHBondContact O-CD1 3.48Å; A405-I409 VanDerWaalsContact O-CG1 3.25Å; A405-I409 WeakPolarHBondContact O-CG1 3.42Å; A405-I409 PolarHBondContact O-N 3.42Å; G406-I409 PolarHBondContact O-N 3.15Å; I407-I409 VanDerWaalsContact C-N 3.28Å; I407-I409 PolarHBondContact O-N 3.46Å; I409-N412 WeakPolarHBondContact O-CB 3.45Å; I409-N412 PolarHBondContact O-N 2.97Å; I409-G413 PolarHBondContact O-N 3.05Å; I409-L434 HydrophobicContact CD1-CD1 3.91Å; I409-L487 HydrophobicContact CG2-CD2 4.28Å; I409-L487 WeakPolarHBondContact CG2-O 3.44Å
410L95Very high90.8Very high48 Ų4851.1 Ų51.125%0.25129%0.287SS..Hα-helixtrans-62.8-46.4175.1-72.4173.8000111.6G406 I407 N412 G413 F488 V495G406-L410 WeakPolarHBondContact O-CB 3.22Å; G406-L410 VanDerWaalsContact O-CG 3.28Å; G406-L410 WeakPolarHBondContact O-CG 3.23Å; G406-L410 PolarHBondContact O-N 3.28Å; I407-L410 PolarHBondContact O-N 3.08Å; L410-N412 PolarHBondContact O-N 3.47Å; L410-G413 PolarHBondContact O-N 3.36Å; L410-G413 VanDerWaalsContact O-N 3.13Å; L410-F488 HydrophobicContact CD2-CD1 3.86Å; L410-V495 HydrophobicContact CD1-CG2 4.01Å
411L94Very high90.5Very high89 Ų8953.6 Ų53.647%0.46630%0.297SS..Hα-helixtrans-59.6-37.5174.9-70.4175.4000110.9I407 G413 V414 V415 L426I407-L411 HydrophobicContact CG2-CD1 3.85Å; I407-L411 HydrophobicContact CG2-CG 4.2Å; I407-L411 WeakPolarHBondContact O-CB 3.33Å; I407-L411 VanDerWaalsContact O-CG 3.29Å; I407-L411 WeakPolarHBondContact O-CG 3.48Å; I407-L411 PolarHBondContact O-N 3.3Å; L411-G413 VanDerWaalsContact C-N 3.27Å; L411-G413 PolarHBondContact O-N 2.95Å; L411-V414 PolarHBondContact O-N 3.02Å; L411-V414 VanDerWaalsContact O-N 3.17Å; L411-V415 WeakPolarHBondContact O-CG2 3.13Å; L411-V415 PolarHBondContact O-N 3.16Å; L411-L426 HydrophobicContact CB-CD1 3.95Å; L411-L426 HydrophobicContact CB-CD2 4.39Å; L411-L426 HydrophobicContact CD1-CD2 4.39Å
412N91.1Very high90.3Very high2 Ų256.8 Ų56.81%0.01131%0.311CS..Hα-helixtrans-55.9-41.6175.5-154.8-87000112.8C408 I409 L410 V414 V415 R423C408-N412 WeakPolarHBondContact O-CB 3.29Å; C408-N412 PolarHBondContact O-N 3.23Å; I409-N412 WeakPolarHBondContact O-CB 3.45Å; I409-N412 PolarHBondContact O-N 2.97Å; L410-N412 PolarHBondContact O-N 3.47Å; N412-V414 VanDerWaalsContact C-N 3.26Å; N412-V414 PolarHBondContact O-N 3.44Å; N412-V415 PolarHBondContact O-N 2.87Å; N412-R423 WeakPolarHBondContact ND2-CG 3.42Å; N412-R423 PolarHBondContact ND2-O 3.41Å; N412-R423 WeakPolarHBondContact OD1-CG 3.42Å
413G87.1Confident89.9Confident7 Ų758 Ų587%0.07232%0.316CS..Hα-helixtrans-70-18.8-17900000114.9I409 L410 L411 S484I409-G413 PolarHBondContact O-N 3.05Å; L410-G413 PolarHBondContact O-N 3.36Å; L410-G413 VanDerWaalsContact O-N 3.13Å; L411-G413 VanDerWaalsContact C-N 3.27Å; L411-G413 PolarHBondContact O-N 2.95Å; G413-S484 PolarHBondContact O-OG 3Å
414V90.1Very high89.6Confident102 Ų10255.4 Ų55.462%0.61830%0.303SS*.Hα-helixtrans-91.6-26.6178-177.80000111.7L411 N412 F488L411-V414 PolarHBondContact O-N 3.02Å; L411-V414 VanDerWaalsContact O-N 3.17Å; N412-V414 VanDerWaalsContact C-N 3.26Å; N412-V414 PolarHBondContact O-N 3.44Å; V414-F488 HydrophobicContact CG2-CE1 3.96Å; V414-F488 HydrophobicContact CG2-CZ 3.88Å
415V87.8Confident89.3Confident34 Ų3454 Ų5421%0.20630%0.301CS..SBendtrans-69.8129.4-177.7172.70000110.4L411 N412 Q419 I422 R423 L426L411-V415 WeakPolarHBondContact O-CG2 3.13Å; L411-V415 PolarHBondContact O-N 3.16Å; N412-V415 PolarHBondContact O-N 2.87Å; V415-Q419 HydrophobicContact CG1-CB 3.78Å; V415-I422 HydrophobicContact CG1-CB 4.4Å; V415-I422 HydrophobicContact CG1-CG2 4.27Å; V415-I422 HydrophobicContact CG2-CG2 4.13Å; V415-R423 HydrophobicContact CG1-CB 4.44Å; V415-L426 HydrophobicContact CG2-CD1 4.08Å
416P82.9Confident89.2Confident81 Ų8155.3 Ų55.353%0.52631%0.307SS..  trans-58.6151.2176.6-23.432.9000113D418 Q419P416-D418 PolarHBondContact O-N 2.98Å; P416-D418 VanDerWaalsContact O-N 3.17Å; P416-Q419 PolarHBondContact O-N 3.49Å
417Q74.4Confident88.9Confident121 Ų12155.3 Ų55.357%0.56531%0.307SS*.THydrogen-bonded Turntrans-62.6-26-176.4-61.7-166.2-12.300113.6Q419Q417-Q419 PolarHBondContact O-N 3.39Å
418D77.9Confident88.7Confident141 Ų14153 Ų5375%0.75430%0.297SS*.THydrogen-bonded Turntrans-67.9-21.1-178.7-49.6-43000112.8P416 S420P416-D418 PolarHBondContact O-N 2.98Å; P416-D418 VanDerWaalsContact O-N 3.17Å; D418-S420 PolarHBondContact O-N 3.41Å
419Q84.4Confident88.7Confident101 Ų10157.4 Ų57.447%0.47232%0.319SS..  trans-94.758.9-177.7-66.9-78.8-19.600111.4V415 P416 Q417 V421 I422 R423V415-Q419 HydrophobicContact CG1-CB 3.78Å; P416-Q419 PolarHBondContact O-N 3.49Å; Q417-Q419 PolarHBondContact O-N 3.39Å; Q419-V421 VanDerWaalsContact C-N 3.28Å; Q419-V421 PolarHBondContact O-N 2.88Å; Q419-I422 HydrophobicContact CB-CB 4.46Å; Q419-I422 HydrophobicContact CB-CD1 4.34Å; Q419-I422 PolarHBondContact O-N 3.42Å; Q419-R423 PolarHBondContact O-N 2.97Å; Q419-R423 VanDerWaalsContact O-N 3.11Å
420S83.8Confident88.7Confident39 Ų3957.4 Ų57.427%0.27332%0.319SS..Hα-helixtrans-58.4-33.9-173.364.50000114.1D418 T424D418-S420 PolarHBondContact O-N 3.41Å; S420-T424 VanDerWaalsContact O-CB 3.25Å; S420-T424 WeakPolarHBondContact O-CB 3.44Å; S420-T424 PolarHBondContact O-N 2.8Å; S420-T424 PolarHBondContact O-OG1 2.85Å
421V88.3Confident88.6Confident106 Ų10655.1 Ų55.164%0.64231%0.307SS*.Hα-helixtrans-66.8-46.5179.4178.50000111.6Q419 T424 S425Q419-V421 VanDerWaalsContact C-N 3.28Å; Q419-V421 PolarHBondContact O-N 2.88Å; V421-T424 PolarHBondContact O-N 2.88Å; V421-S425 WeakPolarHBondContact O-CB 3.46Å; V421-S425 PolarHBondContact O-N 2.9Å; V421-S425 PolarHBondContact O-OG 3.04Å
422I89.9Confident88.5Confident82 Ų8251 Ų5142%0.42129%0.287SS..Hα-helixtrans-65.9-46.4179.6-60.8178.6000109.3V415 Q419 T424 S425 L426V415-I422 HydrophobicContact CG1-CB 4.4Å; V415-I422 HydrophobicContact CG1-CG2 4.27Å; V415-I422 HydrophobicContact CG2-CG2 4.13Å; Q419-I422 HydrophobicContact CB-CB 4.46Å; Q419-I422 HydrophobicContact CB-CD1 4.34Å; Q419-I422 PolarHBondContact O-N 3.42Å; I422-T424 PolarHBondContact O-N 3.17Å; I422-S425 PolarHBondContact O-N 3.18Å; I422-L426 HydrophobicContact CG2-CD1 4.02Å; I422-L426 HydrophobicContact CG2-CG 4.49Å; I422-L426 WeakPolarHBondContact O-CG 3.23Å; I422-L426 PolarHBondContact O-N 3.4Å
423R88.8Confident88.7Confident24 Ų2452 Ų529%0.09129%0.293CS..Hα-helixtrans-61.6-43.8179-159175.255.4177.3-7.7111.9G362 F363 N412 V415 Q419 A427G362-R423 PolarHBondContact O-NE 2.94Å; G362-R423 PolarHBondContact O-NH1 3.26Å; G362-R423 PolarHBondContact O-NH2 2.96Å; F363-R423 HydrophobicContact CD1-CG 4.19Å; F363-R423 PolarHBondContact O-NH2 2.95Å; N412-R423 WeakPolarHBondContact ND2-CG 3.42Å; N412-R423 PolarHBondContact ND2-O 3.41Å; N412-R423 WeakPolarHBondContact OD1-CG 3.42Å; V415-R423 HydrophobicContact CG1-CB 4.44Å; Q419-R423 PolarHBondContact O-N 2.97Å; Q419-R423 VanDerWaalsContact O-N 3.11Å; R423-A427 WeakPolarHBondContact O-CB 3.4Å; R423-A427 PolarHBondContact O-N 3.45Å
424T89.7Confident89Confident13 Ų1351.6 Ų51.68%0.0829%0.29CS..Hα-helixtrans-64-44.8175.5-58.90000111V365 I370 I373 S420 V421 I422 L426 A427 V428V365-T424 WeakPolarHBondContact CG2-OG1 3.3Å; I370-T424 HydrophobicContact CD1-CG2 3.67Å; I373-T424 HydrophobicContact CD1-CG2 4.49Å; S420-T424 VanDerWaalsContact O-CB 3.25Å; S420-T424 WeakPolarHBondContact O-CB 3.44Å; S420-T424 PolarHBondContact O-N 2.8Å; S420-T424 PolarHBondContact O-OG1 2.85Å; V421-T424 PolarHBondContact O-N 2.88Å; I422-T424 PolarHBondContact O-N 3.17Å; T424-L426 PolarHBondContact O-N 3.3Å; T424-A427 PolarHBondContact O-N 3.43Å; T424-V428 HydrophobicContact CG2-CG2 4.13Å; T424-V428 WeakPolarHBondContact O-CB 3.37Å; T424-V428 WeakPolarHBondContact O-CG2 3.1Å; T424-V428 PolarHBondContact O-N 3.47Å
425S91.6Very high89Confident62 Ų6246.9 Ų46.943%0.43426%0.262SS..Hα-helixtrans-60.5-45.7-179.8-59.30000112.2V421 I422 V428 L429V421-S425 WeakPolarHBondContact O-CB 3.46Å; V421-S425 PolarHBondContact O-N 2.9Å; V421-S425 PolarHBondContact O-OG 3.04Å; I422-S425 PolarHBondContact O-N 3.18Å; S425-V428 PolarHBondContact O-N 3.35Å; S425-L429 WeakPolarHBondContact O-CG 3.28Å; S425-L429 PolarHBondContact O-N 3.32Å
426L92.8Very high89.2Confident27 Ų2745.9 Ų45.914%0.14126%0.257CS..Hα-helixtrans-62.6-42.4176.1-73.8171.6000112.1L411 V415 I422 T424 L429 G430L411-L426 HydrophobicContact CB-CD1 3.95Å; L411-L426 HydrophobicContact CB-CD2 4.39Å; L411-L426 HydrophobicContact CD1-CD2 4.39Å; V415-L426 HydrophobicContact CG2-CD1 4.08Å; I422-L426 HydrophobicContact CG2-CD1 4.02Å; I422-L426 HydrophobicContact CG2-CG 4.49Å; I422-L426 WeakPolarHBondContact O-CG 3.23Å; I422-L426 PolarHBondContact O-N 3.4Å; T424-L426 PolarHBondContact O-N 3.3Å; L426-L429 PolarHBondContact O-N 2.78Å; L426-G430 PolarHBondContact O-N 3.34Å
427A91.6Very high89.7Confident0 Ų042 Ų420%023%0.232CC..Hα-helixtrans-64-43.3177.200000111.5L356 F363 F374 R423 T424 L429 G430 K431L356-A427 HydrophobicContact CD1-CB 4.23Å; L356-A427 WeakPolarHBondContact CD2-O 3.44Å; F363-A427 HydrophobicContact CD1-CB 3.87Å; F363-A427 HydrophobicContact CE1-CB 3.32Å; F363-A427 HydrophobicContact CE2-CB 4.49Å; F363-A427 HydrophobicContact CZ-CB 3.69Å; F374-A427 HydrophobicContact CE1-CB 4.32Å; F374-A427 HydrophobicContact CZ-CB 4.2Å; R423-A427 WeakPolarHBondContact O-CB 3.4Å; R423-A427 PolarHBondContact O-N 3.45Å; T424-A427 PolarHBondContact O-N 3.43Å; A427-L429 PolarHBondContact O-N 3.44Å; A427-G430 PolarHBondContact O-N 3.32Å; A427-K431 VanDerWaalsContact O-CB 3.26Å; A427-K431 WeakPolarHBondContact O-CB 3.38Å; A427-K431 PolarHBondContact O-N 3.31Å
428V92.9Very high90.4Very high24 Ų2438 Ų3815%0.14521%0.212CC..Hα-helixtrans-63-44.7178.5172.60000111.3I373 F374 V377 T424 S425 K431 G432I373-V428 HydrophobicContact CB-CG2 4.47Å; I373-V428 HydrophobicContact CG2-CB 4.34Å; I373-V428 HydrophobicContact CG2-CG1 3.94Å; I373-V428 HydrophobicContact CG2-CG2 3.38Å; F374-V428 HydrophobicContact CD1-CG2 4.07Å; F374-V428 HydrophobicContact CE1-CG2 3.88Å; V377-V428 HydrophobicContact CB-CG1 3.77Å; V377-V428 HydrophobicContact CG1-CG1 4.09Å; V377-V428 HydrophobicContact CG2-CG1 3.71Å; T424-V428 HydrophobicContact CG2-CG2 4.13Å; T424-V428 WeakPolarHBondContact O-CB 3.37Å; T424-V428 WeakPolarHBondContact O-CG2 3.1Å; T424-V428 PolarHBondContact O-N 3.47Å; S425-V428 PolarHBondContact O-N 3.35Å; V428-K431 PolarHBondContact O-N 2.67Å; V428-G432 PolarHBondContact O-N 3.07Å
429L94.3Very high90.8Very high102 Ų10233.9 Ų33.953%0.53419%0.191SC..Hα-helixtrans-61.9-46.3174.5-72.2173.4000111.7S425 L426 A427 K431 G432 C433S425-L429 WeakPolarHBondContact O-CG 3.28Å; S425-L429 PolarHBondContact O-N 3.32Å; L426-L429 PolarHBondContact O-N 2.78Å; A427-L429 PolarHBondContact O-N 3.44Å; L429-K431 PolarHBondContact O-N 3.43Å; L429-G432 PolarHBondContact O-N 3.18Å; L429-C433 PolarHBondContact O-N 3.27Å; L429-C433 PolarHBondContact O-SG 2.88Å
430G94.5Very high91Very high0 Ų029.2 Ų29.20%017%0.169CC..Hα-helixtrans-60-45.8177.100000112.4L426 A427 C433 L434L426-G430 PolarHBondContact O-N 3.34Å; A427-G430 PolarHBondContact O-N 3.32Å; G430-C433 PolarHBondContact O-N 3.42Å; G430-L434 WeakPolarHBondContact O-CG 3.41Å; G430-L434 PolarHBondContact O-N 2.99Å
431K92.3Very high91.4Very high0 Ų027.3 Ų27.30%016%0.156CC..Hα-helixtrans-60.4-46.5176.8-164.8-92.3-176-178.30111.9Y353 L356 V357 F374 V377 D378 A427 V428 L429 L434 A435Y353-K431 HydrophobicContact CE2-CD 4.49Å; L356-K431 HydrophobicContact CD2-CB 3.78Å; L356-K431 HydrophobicContact CD2-CG 4.47Å; V357-K431 HydrophobicContact CG2-CG 4.32Å; F374-K431 HydrophobicContact CB-CD 4.31Å; F374-K431 HydrophobicContact CD1-CG 4.45Å; F374-K431 HydrophobicContact CD2-CG 4.24Å; F374-K431 HydrophobicContact CG-CD 4.35Å; F374-K431 HydrophobicContact CG-CG 4.22Å; F374-K431 WeakPolarHBondContact O-CE 3.24Å; F374-K431 PolarHBondContact O-NZ 3.26Å; V377-K431 HydrophobicContact CG1-CD 3.62Å; D378-K431 IonicContact OD1-NZ 2.99Å; D378-K431 PolarHBondContact OD1-NZ 3.37Å; D378-K431 IonicContact OD2-NZ 3.65Å; A427-K431 VanDerWaalsContact O-CB 3.26Å; A427-K431 WeakPolarHBondContact O-CB 3.38Å; A427-K431 PolarHBondContact O-N 3.31Å; V428-K431 PolarHBondContact O-N 2.67Å; L429-K431 PolarHBondContact O-N 3.43Å; K431-L434 PolarHBondContact O-N 3.37Å; K431-A435 PolarHBondContact O-N 3.08Å
432G92.9Very high91.3Very high4 Ų427.1 Ų27.14%0.04115%0.146CC..Hα-helixtrans-59.8-45.117600000112.1A381 V428 L429 L434 A435 A436A381-G432 WeakPolarHBondContact CB-O 3.42Å; V428-G432 PolarHBondContact O-N 3.07Å; L429-G432 PolarHBondContact O-N 3.18Å; G432-L434 VanDerWaalsContact C-N 3.34Å; G432-L434 PolarHBondContact O-N 2.9Å; G432-A435 WeakPolarHBondContact O-CB 3.5Å; G432-A435 PolarHBondContact O-N 2.65Å; G432-A436 PolarHBondContact O-N 2.9Å
433C94.8Very high91.1Very high21 Ų2126.1 Ų26.114%0.14214%0.142CC..Hα-helixtrans-63.1-38.8176.9-65.90000112.4A401 L404 A405 L429 G430 A436 S437A401-C433 WeakPolarHBondContact O-CB 3.44Å; L404-C433 VanDerWaalsContact CD2-SG 3.55Å; A405-C433 HydrophobicContact CB-CB 3.75Å; L429-C433 PolarHBondContact O-N 3.27Å; L429-C433 PolarHBondContact O-SG 2.88Å; G430-C433 PolarHBondContact O-N 3.42Å; C433-A436 PolarHBondContact O-N 2.87Å; C433-S437 WeakPolarHBondContact O-CB 3.37Å; C433-S437 PolarHBondContact O-N 3.45Å
434L94.4Very high91.1Very high0 Ų025 Ų250%014%0.137CC..Hα-helixtrans-65.8-37.4173.8-70.7164.5000112.4A352 Y353 L402 A405 I409 G430 K431 G432 S437 F438A352-L434 HydrophobicContact CB-CD1 3.85Å; A352-L434 HydrophobicContact CB-CD2 3.87Å; Y353-L434 HydrophobicContact CD2-CB 4.01Å; L402-L434 HydrophobicContact CD2-CD2 4.47Å; A405-L434 HydrophobicContact CB-CD1 4.5Å; A405-L434 HydrophobicContact CB-CD2 3.91Å; A405-L434 HydrophobicContact CB-CG 3.73Å; I409-L434 HydrophobicContact CD1-CD1 3.91Å; G430-L434 WeakPolarHBondContact O-CG 3.41Å; G430-L434 PolarHBondContact O-N 2.99Å; K431-L434 PolarHBondContact O-N 3.37Å; G432-L434 VanDerWaalsContact C-N 3.34Å; G432-L434 PolarHBondContact O-N 2.9Å; L434-S437 WeakPolarHBondContact O-CB 3.45Å; L434-S437 PolarHBondContact O-N 3.31Å; L434-F438 PolarHBondContact O-N 3.25Å
435A90.3Very high90.9Very high3 Ų324.4 Ų24.43%0.02513%0.133CC..Hα-helixtrans-64.9-40.8174.100000112.2Y353 D378 K431 G432 F438 N439Y353-A435 HydrophobicContact CE2-CB 4.44Å; D378-A435 WeakPolarHBondContact OD1-CB 3.37Å; K431-A435 PolarHBondContact O-N 3.08Å; G432-A435 WeakPolarHBondContact O-CB 3.5Å; G432-A435 PolarHBondContact O-N 2.65Å; A435-F438 WeakPolarHBondContact O-CB 3.41Å; A435-F438 PolarHBondContact O-N 3.28Å; A435-N439 PolarHBondContact O-N 3.06Å
436A90.8Very high90.5Very high13 Ų1322.2 Ų22.211%0.10712%0.121CC..Hα-helixtrans-64.1-43.3172.800000111.8G432 C433 F438 N439 C440G432-A436 PolarHBondContact O-N 2.9Å; C433-A436 PolarHBondContact O-N 2.87Å; A436-F438 VanDerWaalsContact C-N 3.32Å; A436-F438 PolarHBondContact O-N 3.2Å; A436-N439 PolarHBondContact O-N 3.14Å; A436-N439 VanDerWaalsContact O-N 3.16Å; A436-C440 PolarHBondContact O-N 3.1Å
437S93.4Very high90.1Very high0 Ų022.6 Ų22.60%012%0.122CC..Hα-helixtrans-56.7-43.6173.2177.40000111.7T349 Q398 L402 C433 L434 N439 C440 I441T349-S437 WeakPolarHBondContact CG2-OG 3.3Å; T349-S437 PolarHBondContact OG1-OG 3.29Å; T349-S437 VanDerWaalsContact OG1-OG 3.09Å; Q398-S437 PolarHBondContact NE2-OG 2.72Å; Q398-S437 PolarHBondContact OE1-O 3.08Å; L402-S437 WeakPolarHBondContact CD2-OG 3.49Å; C433-S437 WeakPolarHBondContact O-CB 3.37Å; C433-S437 PolarHBondContact O-N 3.45Å; L434-S437 WeakPolarHBondContact O-CB 3.45Å; L434-S437 PolarHBondContact O-N 3.31Å; S437-N439 PolarHBondContact O-N 2.67Å; S437-C440 PolarHBondContact O-N 3.3Å; S437-I441 WeakPolarHBondContact O-CB 3.24Å; S437-I441 WeakPolarHBondContact O-CG2 3.38Å; S437-I441 PolarHBondContact O-N 3.15Å
438F89.6Confident89.9Confident35 Ų3522.8 Ų22.815%0.15412%0.123CC..Hα-helixtrans-58.2-46.5175.1-99.8-61000112W346 T349 Y353 L434 A435 A436 C440 I441 F442W346-F438 HydrophobicContact CE3-CE1 4.41Å; W346-F438 HydrophobicContact CZ3-CD1 4.18Å; W346-F438 HydrophobicContact CZ3-CE1 4.19Å; T349-F438 HydrophobicContact CG2-CB 4.37Å; T349-F438 HydrophobicContact CG2-CD1 4.09Å; T349-F438 HydrophobicContact CG2-CD2 3.61Å; T349-F438 HydrophobicContact CG2-CE1 4.32Å; T349-F438 HydrophobicContact CG2-CE2 3.87Å; T349-F438 HydrophobicContact CG2-CG 3.75Å; T349-F438 HydrophobicContact CG2-CZ 4.23Å; Y353-F438 HydrophobicContact CD1-CE2 4.02Å; Y353-F438 HydrophobicContact CD2-CD2 4.13Å; Y353-F438 HydrophobicContact CD2-CE2 4.09Å; Y353-F438 HydrophobicContact CG-CD2 4.16Å; Y353-F438 AromaticContact CG-CE2 3.65Å; Y353-F438 HydrophobicContact CG-CE2 3.65Å; L434-F438 PolarHBondContact O-N 3.25Å; A435-F438 WeakPolarHBondContact O-CB 3.41Å; A435-F438 PolarHBondContact O-N 3.28Å; A436-F438 VanDerWaalsContact C-N 3.32Å; A436-F438 PolarHBondContact O-N 3.2Å; F438-C440 PolarHBondContact O-N 3.1Å; F438-I441 WeakPolarHBondContact O-CG2 3.42Å; F438-F442 HydrophobicContact CD1-CE2 4.18Å; F438-F442 WeakPolarHBondContact O-CD2 3.34Å; F438-F442 PolarHBondContact O-N 2.92Å
439N86.1Confident89.5Confident56 Ų5621.8 Ų21.830%0.29912%0.117SC..Hα-helixtrans-62.1-46178.4-166.1-72.2000111.6A435 A436 S437 L443A435-N439 PolarHBondContact O-N 3.06Å; A436-N439 PolarHBondContact O-N 3.14Å; A436-N439 VanDerWaalsContact O-N 3.16Å; S437-N439 PolarHBondContact O-N 2.67Å; N439-L443 PolarHBondContact O-N 3.32Å
440C89.3Confident88.8Confident2 Ų217 Ų171%0.0149%0.092CC..Hα-helixtrans-62.6-47.5179.7-173.60000112.2I389 R394 Q398 A436 S437 F438 F442 L443 Y444I389-C440 HydrophobicContact CD1-CB 3.64Å; I389-C440 HydrophobicContact CG1-CB 4.06Å; R394-C440 PolarHBondContact O-SG 3.43Å; R394-C440 VanDerWaalsContact O-SG 3.42Å; Q398-C440 VanDerWaalsContact OE1-CB 3.22Å; Q398-C440 PolarHBondContact OE1-SG 3.1Å; A436-C440 PolarHBondContact O-N 3.1Å; S437-C440 PolarHBondContact O-N 3.3Å; F438-C440 PolarHBondContact O-N 3.1Å; C440-F442 VanDerWaalsContact C-N 3.35Å; C440-F442 PolarHBondContact O-N 3.25Å; C440-L443 PolarHBondContact O-N 2.99Å; C440-Y444 WeakPolarHBondContact O-CB 3.14Å; C440-Y444 PolarHBondContact O-N 3.05Å
441I91.2Very high87.9Confident0 Ų020.3 Ų20.30%011%0.112CC..Hα-helixtrans-66.5-33.4-177.6-160.9176.5000113L345 W346 S437 F438 T445L345-I441 VanDerWaalsContact C-CD1 3.43Å; L345-I441 HydrophobicContact CB-CD1 3.45Å; L345-I441 VanDerWaalsContact CB-CD1 3.45Å; L345-I441 HydrophobicContact CB-CG1 4.5Å; W346-I441 HydrophobicContact CB-CD1 4.11Å; W346-I441 HydrophobicContact CD2-CD1 3.7Å; W346-I441 HydrophobicContact CD2-CG1 4.13Å; W346-I441 HydrophobicContact CD2-CG2 4.12Å; W346-I441 HydrophobicContact CE3-CD1 4.34Å; W346-I441 HydrophobicContact CE3-CG2 3.95Å; W346-I441 HydrophobicContact CG-CD1 3.53Å; W346-I441 HydrophobicContact CG-CG1 4.31Å; W346-I441 HydrophobicContact CH2-CG2 3.82Å; W346-I441 HydrophobicContact CZ2-CG1 4.23Å; W346-I441 HydrophobicContact CZ2-CG2 3.94Å; W346-I441 HydrophobicContact CZ3-CG2 3.83Å; W346-I441 VanDerWaalsContact N-CD1 3.28Å; S437-I441 WeakPolarHBondContact O-CB 3.24Å; S437-I441 WeakPolarHBondContact O-CG2 3.38Å; S437-I441 PolarHBondContact O-N 3.15Å; F438-I441 WeakPolarHBondContact O-CG2 3.42Å; I441-T445 WeakPolarHBondContact O-CB 3.47Å; I441-T445 PolarHBondContact O-N 3.28Å; I441-T445 PolarHBondContact O-OG1 3.37Å
442F86.8Confident86.8Confident102 Ų10226.4 Ų26.445%0.44714%0.142SC..Hα-helixtrans-58.8-48.7172.1-93.4-72.5000111W346 F438 C440 G446 L458W346-F442 HydrophobicContact CH2-CB 4.31Å; W346-F442 AromaticContact CH2-CD1 3.5Å; W346-F442 HydrophobicContact CH2-CD1 3.5Å; W346-F442 AromaticContact CH2-CD2 3.6Å; W346-F442 HydrophobicContact CH2-CD2 3.6Å; W346-F442 AromaticContact CH2-CE1 3.47Å; W346-F442 HydrophobicContact CH2-CE1 3.47Å; W346-F442 VanDerWaalsContact CH2-CE1 3.47Å; W346-F442 AromaticContact CH2-CE2 3.55Å; W346-F442 HydrophobicContact CH2-CE2 3.55Å; W346-F442 AromaticContact CH2-CG 3.53Å; W346-F442 HydrophobicContact CH2-CG 3.53Å; W346-F442 AromaticContact CH2-CZ 3.47Å; W346-F442 HydrophobicContact CH2-CZ 3.47Å; W346-F442 VanDerWaalsContact CH2-CZ 3.47Å; W346-F442 HydrophobicContact CZ2-CD1 4.19Å; W346-F442 HydrophobicContact CZ2-CE1 4.4Å; W346-F442 HydrophobicContact CZ2-CG 4.3Å; W346-F442 HydrophobicContact CZ3-CD2 4.06Å; W346-F442 HydrophobicContact CZ3-CE1 4.15Å; W346-F442 AromaticContact CZ3-CE2 3.66Å; W346-F442 HydrophobicContact CZ3-CE2 3.66Å; W346-F442 HydrophobicContact CZ3-CG 4.43Å; W346-F442 AromaticContact CZ3-CZ 3.69Å; W346-F442 HydrophobicContact CZ3-CZ 3.69Å; F438-F442 HydrophobicContact CD1-CE2 4.18Å; F438-F442 WeakPolarHBondContact O-CD2 3.34Å; F438-F442 PolarHBondContact O-N 2.92Å; C440-F442 VanDerWaalsContact C-N 3.35Å; C440-F442 PolarHBondContact O-N 3.25Å; F442-G446 PolarHBondContact O-N 3.33Å; F442-L458 HydrophobicContact CD1-CD1 3.99Å; F442-L458 HydrophobicContact CE1-CD1 4.41Å
443L84.6Confident86.1Confident61 Ų6126.5 Ų26.532%0.31914%0.142SC..Hα-helixtrans-70.5-46.2-179.2-175.9136.9000111.5I389 R394 N439 C440 T445 G446 E447I389-L443 HydrophobicContact CG2-CD2 4.04Å; R394-L443 HydrophobicContact CG-CD2 3.6Å; R394-L443 VanDerWaalsContact NE-CD2 3.35Å; N439-L443 PolarHBondContact O-N 3.32Å; C440-L443 PolarHBondContact O-N 2.99Å; L443-T445 PolarHBondContact O-N 2.86Å; L443-G446 WeakPolarHBondContact O-CA 3.44Å; L443-G446 PolarHBondContact O-N 2.9Å; L443-E447 HydrophobicContact CD2-CG 4.48Å; L443-E447 VanDerWaalsContact CD2-OE1 3.27Å; L443-E447 WeakPolarHBondContact CD2-OE1 3.48Å; L443-E447 PolarHBondContact O-N 3.42Å
444Y88.6Confident85.3Confident0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-63.7-41.6-177.9-169.6-153.6000112.4R394 C440 G446 E447 L448 L504 P505 T507R394-Y444 HydrophobicContact CB-CD2 3.55Å; R394-Y444 HydrophobicContact CB-CE2 3.95Å; R394-Y444 HydrophobicContact CB-CG 3.9Å; R394-Y444 HydrophobicContact CG-CD2 4.19Å; C440-Y444 WeakPolarHBondContact O-CB 3.14Å; C440-Y444 PolarHBondContact O-N 3.05Å; Y444-G446 VanDerWaalsContact C-N 3.27Å; Y444-G446 PolarHBondContact O-N 3.17Å; Y444-E447 PolarHBondContact O-N 3.05Å; Y444-E447 VanDerWaalsContact O-N 3.15Å; Y444-L448 HydrophobicContact CD1-CD1 3.95Å; Y444-L448 HydrophobicContact CD2-CD1 3.59Å; Y444-L448 HydrophobicContact CD2-CG 3.8Å; Y444-L448 HydrophobicContact CE1-CD1 3.89Å; Y444-L448 HydrophobicContact CE2-CD1 3.52Å; Y444-L448 HydrophobicContact CE2-CD2 3.92Å; Y444-L448 HydrophobicContact CE2-CG 3.7Å; Y444-L448 HydrophobicContact CG-CD1 3.82Å; Y444-L448 HydrophobicContact CG-CG 4.47Å; Y444-L448 WeakPolarHBondContact O-CB 3.45Å; Y444-L448 WeakPolarHBondContact O-CD1 3.37Å; Y444-L448 VanDerWaalsContact O-CG 3.3Å; Y444-L448 WeakPolarHBondContact O-CG 3.4Å; Y444-L448 PolarHBondContact O-N 3.03Å; Y444-L504 HydrophobicContact CE1-CB 4.17Å; Y444-L504 HydrophobicContact CE1-CD1 3.75Å; Y444-L504 WeakPolarHBondContact OH-CB 3.47Å; Y444-P505 WeakPolarHBondContact CE2-O 3.27Å; Y444-P505 PolarHBondContact OH-O 2.95Å; Y444-T507 HydrophobicContact CD2-CG2 4.01Å; Y444-T507 HydrophobicContact CE2-CG2 3.78Å
445T87.1Confident84.1Confident0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-59.4-40.5172.7-59.90000111.2L342 W346 I441 L443 E447 Y449 L458L342-T445 HydrophobicContact CD1-CG2 4.21Å; W346-T445 PolarHBondContact NE1-OG1 3.04Å; I441-T445 WeakPolarHBondContact O-CB 3.47Å; I441-T445 PolarHBondContact O-N 3.28Å; I441-T445 PolarHBondContact O-OG1 3.37Å; L443-T445 PolarHBondContact O-N 2.86Å; T445-E447 VanDerWaalsContact C-N 3.32Å; T445-E447 PolarHBondContact O-N 3.49Å; T445-Y449 HydrophobicContact CG2-CD2 3.69Å; T445-Y449 HydrophobicContact CG2-CE2 3.77Å; T445-Y449 WeakPolarHBondContact O-CD2 3.42Å; T445-Y449 PolarHBondContact O-N 3.17Å; T445-L458 HydrophobicContact CG2-CB 4.27Å; T445-L458 HydrophobicContact CG2-CD1 3.83Å
446G82.3Confident83.6Confident17 Ų1736.6 Ų36.618%0.17519%0.187CC..Hα-helixtrans-67-29176.700000114F442 L443 Y444 R454F442-G446 PolarHBondContact O-N 3.33Å; L443-G446 WeakPolarHBondContact O-CA 3.44Å; L443-G446 PolarHBondContact O-N 2.9Å; Y444-G446 VanDerWaalsContact C-N 3.27Å; Y444-G446 PolarHBondContact O-N 3.17Å; G446-R454 WeakPolarHBondContact O-CD 3.4Å; G446-R454 VanDerWaalsContact O-CZ 3.26Å; G446-R454 PolarHBondContact O-NE 3.35Å
447E85.3Confident83.2Confident34 Ų3436 Ų3616%0.15918%0.183CC..Hα-helixtrans-87.9-28179.4-68.6177174.200113.1R394 L443 Y444 T445 T507 L512 P513R394-E447 WeakPolarHBondContact CD-OE2 3.43Å; R394-E447 IonicContact CZ-OE1 3.69Å; R394-E447 IonicContact CZ-OE2 2.73Å; R394-E447 IonicContact NE-OE1 2.8Å; R394-E447 PolarHBondContact NE-OE1 2.99Å; R394-E447 IonicContact NE-OE2 2.78Å; R394-E447 PolarHBondContact NE-OE2 3.08Å; R394-E447 IonicContact NH2-OE1 3.78Å; R394-E447 PolarHBondContact NH2-OE1 3.27Å; R394-E447 IonicContact NH2-OE2 3.44Å; L443-E447 HydrophobicContact CD2-CG 4.48Å; L443-E447 VanDerWaalsContact CD2-OE1 3.27Å; L443-E447 WeakPolarHBondContact CD2-OE1 3.48Å; L443-E447 PolarHBondContact O-N 3.42Å; Y444-E447 PolarHBondContact O-N 3.05Å; Y444-E447 VanDerWaalsContact O-N 3.15Å; T445-E447 VanDerWaalsContact C-N 3.32Å; T445-E447 PolarHBondContact O-N 3.49Å; E447-T507 HydrophobicContact CB-CG2 3.84Å; E447-T507 VanDerWaalsContact OE2-CB 3.23Å; E447-T507 WeakPolarHBondContact OE2-CB 3.42Å; E447-T507 PolarHBondContact OE2-OG1 3.05Å; E447-L512 HydrophobicContact CB-CD2 4.32Å; E447-L512 HydrophobicContact CG-CD2 4.18Å; E447-P513 WeakPolarHBondContact O-CD 3.44Å
448L86.9Confident82.7Confident4 Ų438 Ų382%0.02119%0.193CC..Hα-helixtrans-78.4-42.4-179.7-76.1164.2000113.4L338 L342 Y444 L504 P505 T507 L519L338-L448 HydrophobicContact CD1-CB 3.99Å; L338-L448 HydrophobicContact CD1-CD1 3.91Å; L338-L448 HydrophobicContact CD1-CD2 4.18Å; L338-L448 HydrophobicContact CD1-CG 4.26Å; L338-L448 HydrophobicContact CD2-CB 4.09Å; L342-L448 HydrophobicContact CD1-CD1 4.13Å; L342-L448 HydrophobicContact CD2-CD1 3.85Å; L342-L448 HydrophobicContact CG-CD1 4.38Å; Y444-L448 HydrophobicContact CD1-CD1 3.95Å; Y444-L448 HydrophobicContact CD2-CD1 3.59Å; Y444-L448 HydrophobicContact CD2-CG 3.8Å; Y444-L448 HydrophobicContact CE1-CD1 3.89Å; Y444-L448 HydrophobicContact CE2-CD1 3.52Å; Y444-L448 HydrophobicContact CE2-CD2 3.92Å; Y444-L448 HydrophobicContact CE2-CG 3.7Å; Y444-L448 HydrophobicContact CG-CD1 3.82Å; Y444-L448 HydrophobicContact CG-CG 4.47Å; Y444-L448 WeakPolarHBondContact O-CB 3.45Å; Y444-L448 WeakPolarHBondContact O-CD1 3.37Å; Y444-L448 VanDerWaalsContact O-CG 3.3Å; Y444-L448 WeakPolarHBondContact O-CG 3.4Å; Y444-L448 PolarHBondContact O-N 3.03Å; L448-L504 HydrophobicContact CD1-CD1 4.48Å; L448-L504 HydrophobicContact CD1-CD2 4.48Å; L448-P505 HydrophobicContact CD2-CG 3.55Å; L448-T507 HydrophobicContact CD2-CG2 4Å; L448-T507 HydrophobicContact CG-CG2 4.12Å; L448-L519 WeakPolarHBondContact O-CD1 3.37Å
449Y84.3Confident82.4Confident3 Ų338 Ų381%0.01220%0.203CC..SBendtrans-78.4135.9-177.7-79.9-70.1000112L329 L338 F339 L342 T445 I453 R454 G457L329-Y449 HydrophobicContact CD2-CE1 3.79Å; L338-Y449 HydrophobicContact CD2-CD1 3.72Å; L338-Y449 HydrophobicContact CD2-CE1 3.72Å; L338-Y449 HydrophobicContact CD2-CG 4.15Å; L338-Y449 HydrophobicContact CG-CE1 4.17Å; F339-Y449 VanDerWaalsContact CA-OH 3.3Å; F339-Y449 WeakPolarHBondContact CA-OH 3.42Å; L342-Y449 HydrophobicContact CD1-CD2 4.06Å; L342-Y449 HydrophobicContact CD1-CE2 3.42Å; L342-Y449 VanDerWaalsContact CD1-CE2 3.42Å; T445-Y449 HydrophobicContact CG2-CD2 3.69Å; T445-Y449 HydrophobicContact CG2-CE2 3.77Å; T445-Y449 WeakPolarHBondContact O-CD2 3.42Å; T445-Y449 PolarHBondContact O-N 3.17Å; Y449-I453 HydrophobicContact CD1-CD1 4.01Å; Y449-I453 HydrophobicContact CD1-CG1 4.32Å; Y449-R454 PolarHBondContact O-NE 3.37Å; Y449-G457 VanDerWaalsContact CE2-CA 3.48Å
450P80.4Confident82.3Confident1 Ų137.3 Ų37.31%0.00620%0.198CC..  trans-63.4149.2176.717.9-22000111.6L335 M452 I453 R454 P513 V516L335-P450 HydrophobicContact CD2-CG 4.36Å; P450-M452 PolarHBondContact O-N 3.46Å; P450-I453 HydrophobicContact CG-CD1 3.72Å; P450-I453 HydrophobicContact CG-CG1 3.64Å; P450-I453 PolarHBondContact O-N 2.84Å; P450-R454 WeakPolarHBondContact O-CB 3.4Å; P450-R454 PolarHBondContact O-N 3.11Å; P450-P513 WeakPolarHBondContact CA-O 3.38Å; P450-P513 HydrophobicContact CB-CB 4.24Å; P450-P513 HydrophobicContact CB-CG 4.47Å; P450-V516 HydrophobicContact CG-CG2 4.38Å
451T73.8Confident82.3Confident70 Ų7037.4 Ų37.443%0.42920%0.199SC..THydrogen-bonded Turntrans-49-37-170.9-56.70000113I453 R454 P513 D514T451-I453 PolarHBondContact O-N 3.12Å; T451-R454 PolarHBondContact OG1-NH2 2.65Å; T451-R454 VanDerWaalsContact OG1-NH2 3.16Å; T451-P513 PolarHBondContact N-O 3.47Å; T451-P513 PolarHBondContact OG1-O 3.36Å; T451-D514 PolarHBondContact OG1-OD1 3.36Å
452M71.1Confident82.1Confident129 Ų12939.1 Ų39.164%0.63521%0.211SC*.THydrogen-bonded Turntrans-65.5-31.7-179.9-60.3-60.5-70.400114.9P450P450-M452 PolarHBondContact O-N 3.46Å
453I76.3Confident82.3Confident6 Ų636.6 Ų36.63%0.03120%0.204CC..THydrogen-bonded Turntrans-120.62.3-175.453.4169.5000113.4A324 L329 L335 Y449 P450 T451 Q455 T456 G457A324-I453 HydrophobicContact CB-CG2 3.4Å; L329-I453 HydrophobicContact CD1-CB 4.32Å; L329-I453 HydrophobicContact CD1-CG2 4.35Å; L329-I453 HydrophobicContact CG-CD1 4.49Å; L335-I453 HydrophobicContact CD1-CD1 3.43Å; L335-I453 VanDerWaalsContact CD1-CD1 3.43Å; L335-I453 HydrophobicContact CD2-CD1 3.43Å; L335-I453 VanDerWaalsContact CD2-CD1 3.43Å; L335-I453 HydrophobicContact CG-CD1 4.04Å; Y449-I453 HydrophobicContact CD1-CD1 4.01Å; Y449-I453 HydrophobicContact CD1-CG1 4.32Å; P450-I453 HydrophobicContact CG-CD1 3.72Å; P450-I453 HydrophobicContact CG-CG1 3.64Å; P450-I453 PolarHBondContact O-N 2.84Å; T451-I453 PolarHBondContact O-N 3.12Å; I453-Q455 VanDerWaalsContact C-N 3.33Å; I453-Q455 PolarHBondContact O-N 3.22Å; I453-T456 WeakPolarHBondContact O-CB 3.39Å; I453-T456 PolarHBondContact O-N 2.89Å; I453-T456 VanDerWaalsContact O-N 3.13Å; I453-G457 PolarHBondContact O-N 2.95Å
454R78.6Confident82.7Confident48 Ų4836.2 Ų36.218%0.18120%0.202CC..Hα-helixtrans-54.3-45.3-177.1-173.8-177.6-61.2171.84.9113.6G446 Y449 P450 T451 G457 L458G446-R454 WeakPolarHBondContact O-CD 3.4Å; G446-R454 VanDerWaalsContact O-CZ 3.26Å; G446-R454 PolarHBondContact O-NE 3.35Å; Y449-R454 PolarHBondContact O-NE 3.37Å; P450-R454 WeakPolarHBondContact O-CB 3.4Å; P450-R454 PolarHBondContact O-N 3.11Å; T451-R454 PolarHBondContact OG1-NH2 2.65Å; T451-R454 VanDerWaalsContact OG1-NH2 3.16Å; R454-G457 PolarHBondContact O-N 3.27Å; R454-L458 WeakPolarHBondContact O-CB 3.37Å; R454-L458 PolarHBondContact O-N 2.85Å
455Q70.7Confident82.9Confident146 Ų14636.5 Ų36.568%0.68220%0.204SC*.Hα-helixtrans-67.4-40.9179.5-67-61.6-32.100111.6I453 L458 G459I453-Q455 VanDerWaalsContact C-N 3.33Å; I453-Q455 PolarHBondContact O-N 3.22Å; Q455-L458 PolarHBondContact O-N 3.45Å; Q455-G459 PolarHBondContact O-N 2.97Å
456T78.7Confident83.1Confident42 Ų4239.3 Ų39.326%0.25821%0.214SC..Hα-helixtrans-62-46.7175.3-50.30000111.1A326 L329 I453 G459 M460A326-T456 HydrophobicContact CB-CG2 4.15Å; L329-T456 HydrophobicContact CD1-CG2 3.66Å; I453-T456 WeakPolarHBondContact O-CB 3.39Å; I453-T456 PolarHBondContact O-N 2.89Å; I453-T456 VanDerWaalsContact O-N 3.13Å; T456-G459 PolarHBondContact O-N 3.46Å; T456-M460 HydrophobicContact CG2-SD 4.48Å; T456-M460 WeakPolarHBondContact O-CG 3.25Å; T456-M460 PolarHBondContact O-N 3.49Å
457G82.1Confident83.7Confident1 Ų140.8 Ų40.81%0.0122%0.22CC..Hα-helixtrans-62.5-43.7177.600000113.3Y449 I453 R454 G459 M460 G461Y449-G457 VanDerWaalsContact CE2-CA 3.48Å; I453-G457 PolarHBondContact O-N 2.95Å; R454-G457 PolarHBondContact O-N 3.27Å; G457-G459 VanDerWaalsContact C-N 3.35Å; G457-M460 PolarHBondContact O-N 3.31Å; G457-G461 PolarHBondContact O-N 2.88Å
458L83.3Confident84.1Confident41 Ų4139.1 Ų39.122%0.21521%0.212CC..Hα-helixtrans-63.4-40.7174.3-172.666.8000111.8W346 F442 T445 R454 Q455 G461 S462W346-L458 HydrophobicContact CH2-CD1 4.38Å; W346-L458 HydrophobicContact CZ2-CD1 3.79Å; F442-L458 HydrophobicContact CD1-CD1 3.99Å; F442-L458 HydrophobicContact CE1-CD1 4.41Å; T445-L458 HydrophobicContact CG2-CB 4.27Å; T445-L458 HydrophobicContact CG2-CD1 3.83Å; R454-L458 WeakPolarHBondContact O-CB 3.37Å; R454-L458 PolarHBondContact O-N 2.85Å; Q455-L458 PolarHBondContact O-N 3.45Å; L458-G461 PolarHBondContact O-N 3.28Å; L458-S462 WeakPolarHBondContact O-CB 3.28Å; L458-S462 PolarHBondContact O-N 2.92Å
459G82.6Confident84.3Confident35 Ų3539 Ų3936%0.36121%0.211SC..Hα-helixtrans-60.8-46.9175.100000112.5Q455 T456 G457 S462 T463Q455-G459 PolarHBondContact O-N 2.97Å; T456-G459 PolarHBondContact O-N 3.46Å; G457-G459 VanDerWaalsContact C-N 3.35Å; G459-S462 PolarHBondContact O-N 3.25Å; G459-T463 PolarHBondContact O-N 2.91Å; G459-T463 PolarHBondContact O-OG1 3.34Å; G459-T463 VanDerWaalsContact O-OG1 3.06Å
460M85.3Confident84.8Confident42 Ų4240 Ų4021%0.20722%0.217CC..Hα-helixtrans-67.5-38.3177.6-64179.877.700112.6A326 L329 F339 T456 G457 T463 M464A326-M460 HydrophobicContact CB-SD 4.17Å; L329-M460 HydrophobicContact CD2-SD 3.82Å; F339-M460 HydrophobicContact CD2-CB 4.38Å; F339-M460 HydrophobicContact CD2-CE 4.09Å; F339-M460 HydrophobicContact CD2-SD 4.26Å; F339-M460 HydrophobicContact CE1-CE 4.17Å; F339-M460 HydrophobicContact CE2-CB 3.71Å; F339-M460 HydrophobicContact CE2-CE 3.34Å; F339-M460 HydrophobicContact CE2-CG 4.4Å; F339-M460 HydrophobicContact CE2-SD 3.92Å; F339-M460 HydrophobicContact CZ-CE 3.38Å; T456-M460 HydrophobicContact CG2-SD 4.48Å; T456-M460 WeakPolarHBondContact O-CG 3.25Å; T456-M460 PolarHBondContact O-N 3.49Å; G457-M460 PolarHBondContact O-N 3.31Å; M460-T463 WeakPolarHBondContact O-CB 3.48Å; M460-T463 PolarHBondContact O-N 3.4Å; M460-M464 PolarHBondContact O-N 3.44Å
461G88.6Confident85.4Confident3 Ų342.4 Ų42.43%0.03123%0.231CC..Hα-helixtrans-59.3-46.7171.800000112W346 G457 L458 T463 M464 A465W346-G461 VanDerWaalsContact CB-O 3.26Å; W346-G461 WeakPolarHBondContact CB-O 3.37Å; W346-G461 VanDerWaalsContact CD1-CA 3.43Å; G457-G461 PolarHBondContact O-N 2.88Å; L458-G461 PolarHBondContact O-N 3.28Å; G461-T463 VanDerWaalsContact C-N 3.34Å; G461-T463 PolarHBondContact O-N 2.87Å; G461-M464 WeakPolarHBondContact O-CB 3.37Å; G461-M464 PolarHBondContact O-N 2.86Å; G461-M464 VanDerWaalsContact O-N 3.08Å; G461-A465 PolarHBondContact O-N 3.43Å
462S87.3Confident86.3Confident37 Ų3739 Ų3926%0.25921%0.211SC..Hα-helixtrans-60.7-40.6174.6179.60000112.5L458 G459 M464 A465 R466L458-S462 WeakPolarHBondContact O-CB 3.28Å; L458-S462 PolarHBondContact O-N 2.92Å; G459-S462 PolarHBondContact O-N 3.25Å; S462-M464 VanDerWaalsContact C-N 3.28Å; S462-M464 PolarHBondContact O-N 3.08Å; S462-A465 WeakPolarHBondContact O-CB 3.39Å; S462-A465 PolarHBondContact O-N 2.97Å; S462-R466 WeakPolarHBondContact O-CG 3.49Å; S462-R466 PolarHBondContact O-N 3.04Å
463T90.3Very high87.1Confident48 Ų4832.9 Ų32.929%0.29418%0.181SC..Hα-helixtrans-57.3-44.6172.7-630000110.6L146 M150 G459 M460 G461 A465 R466 V467L146-T463 HydrophobicContact CD1-CG2 3.96Å; M150-T463 HydrophobicContact CE-CG2 3.98Å; G459-T463 PolarHBondContact O-N 2.91Å; G459-T463 PolarHBondContact O-OG1 3.34Å; G459-T463 VanDerWaalsContact O-OG1 3.06Å; M460-T463 WeakPolarHBondContact O-CB 3.48Å; M460-T463 PolarHBondContact O-N 3.4Å; G461-T463 VanDerWaalsContact C-N 3.34Å; G461-T463 PolarHBondContact O-N 2.87Å; T463-A465 PolarHBondContact O-N 3.36Å; T463-R466 WeakPolarHBondContact O-CB 3.19Å; T463-R466 PolarHBondContact O-N 2.62Å; T463-R466 VanDerWaalsContact O-N 3.08Å; T463-V467 PolarHBondContact O-N 3.45Å
464M93.3Very high87.6Confident54 Ų5436 Ų3627%0.26620%0.197SC..Hα-helixtrans-68.6-34.7179.5-160.95440.700113.3S343 W346 F347 M460 G461 S462 R466 V467 G468S343-M464 WeakPolarHBondContact O-CG 3.23Å; W346-M464 HydrophobicContact CB-CB 4.45Å; F347-M464 HydrophobicContact CB-CG 3.92Å; F347-M464 HydrophobicContact CD2-SD 4.35Å; M460-M464 PolarHBondContact O-N 3.44Å; G461-M464 WeakPolarHBondContact O-CB 3.37Å; G461-M464 PolarHBondContact O-N 2.86Å; G461-M464 VanDerWaalsContact O-N 3.08Å; S462-M464 VanDerWaalsContact C-N 3.28Å; S462-M464 PolarHBondContact O-N 3.08Å; M464-R466 VanDerWaalsContact C-N 3.28Å; M464-R466 PolarHBondContact O-N 3.47Å; M464-V467 HydrophobicContact CE-CG2 4.34Å; M464-V467 WeakPolarHBondContact O-CB 3.48Å; M464-V467 PolarHBondContact O-N 3.37Å; M464-V467 HydrophobicContact SD-CB 4.08Å; M464-V467 HydrophobicContact SD-CG1 4.41Å; M464-V467 HydrophobicContact SD-CG2 4.29Å; M464-G468 PolarHBondContact O-N 3.49Å
465A92.6Very high88.2Confident6 Ų634.8 Ų34.85%0.0519%0.194CC..Hα-helixtrans-60.5-38.6168.700000112W346 S350 G461 S462 T463 G468 S469W346-A465 HydrophobicContact CB-CB 4.3Å; W346-A465 HydrophobicContact CE3-CB 3.76Å; W346-A465 HydrophobicContact CZ3-CB 4.5Å; W346-A465 WeakPolarHBondContact O-CA 3.35Å; S350-A465 WeakPolarHBondContact CB-O 3.45Å; S350-A465 PolarHBondContact OG-O 2.79Å; G461-A465 PolarHBondContact O-N 3.43Å; S462-A465 WeakPolarHBondContact O-CB 3.39Å; S462-A465 PolarHBondContact O-N 2.97Å; T463-A465 PolarHBondContact O-N 3.36Å; A465-G468 PolarHBondContact O-N 2.87Å; A465-S469 PolarHBondContact O-N 3.08Å
466R91.9Very high88.9Confident58 Ų5828.3 Ų28.322%0.21917%0.166CC..Hα-helixtrans-66.4-39.6174.7-64.8-56179.4-175.10.4112.3L146 S462 T463 M464 G468 S469 I470L146-R466 HydrophobicContact CB-CB 4.2Å; L146-R466 HydrophobicContact CD1-CB 3.86Å; L146-R466 HydrophobicContact CD1-CG 4.35Å; S462-R466 WeakPolarHBondContact O-CG 3.49Å; S462-R466 PolarHBondContact O-N 3.04Å; T463-R466 WeakPolarHBondContact O-CB 3.19Å; T463-R466 PolarHBondContact O-N 2.62Å; T463-R466 VanDerWaalsContact O-N 3.08Å; M464-R466 VanDerWaalsContact C-N 3.28Å; M464-R466 PolarHBondContact O-N 3.47Å; R466-G468 VanDerWaalsContact C-N 3.3Å; R466-G468 PolarHBondContact O-N 3.42Å; R466-S469 WeakPolarHBondContact CA-OG 3.21Å; R466-S469 PolarHBondContact O-N 2.84Å; R466-S469 VanDerWaalsContact O-N 3.12Å; R466-S469 PolarHBondContact O-OG 3.24Å; R466-I470 VanDerWaalsContact O-CG1 3.31Å; R466-I470 WeakPolarHBondContact O-CG1 3.46Å; R466-I470 PolarHBondContact O-N 3.12Å
467V94.3Very high89Confident48 Ų4829.2 Ų29.229%0.29117%0.168SC..Hα-helixtrans-57.4-45.7171.4179.80000110.3F347 T463 M464 S469 I470 V471F347-V467 HydrophobicContact CD2-CG1 4.38Å; F347-V467 HydrophobicContact CE2-CG1 4.14Å; T463-V467 PolarHBondContact O-N 3.45Å; M464-V467 HydrophobicContact CE-CG2 4.34Å; M464-V467 WeakPolarHBondContact O-CB 3.48Å; M464-V467 PolarHBondContact O-N 3.37Å; M464-V467 HydrophobicContact SD-CB 4.08Å; M464-V467 HydrophobicContact SD-CG1 4.41Å; M464-V467 HydrophobicContact SD-CG2 4.29Å; V467-S469 VanDerWaalsContact C-N 3.32Å; V467-S469 PolarHBondContact O-N 3.1Å; V467-I470 PolarHBondContact O-N 3.36Å; V467-I470 VanDerWaalsContact O-N 3.1Å; V467-V471 HydrophobicContact CG1-CG2 4.32Å; V467-V471 WeakPolarHBondContact O-CG2 3.33Å; V467-V471 PolarHBondContact O-N 3.4Å
468G93.9Very high89.1Confident0 Ų031.1 Ų31.10%018%0.179CC..Hα-helixtrans-56.1-43.1173.600000113.3F347 F351 M464 A465 R466 I470 V471 S472F347-G468 VanDerWaalsContact CE2-CA 3.45Å; F351-G468 WeakPolarHBondContact CA-O 3.28Å; M464-G468 PolarHBondContact O-N 3.49Å; A465-G468 PolarHBondContact O-N 2.87Å; R466-G468 VanDerWaalsContact C-N 3.3Å; R466-G468 PolarHBondContact O-N 3.42Å; G468-I470 VanDerWaalsContact C-N 3.32Å; G468-I470 PolarHBondContact O-N 2.86Å; G468-V471 PolarHBondContact O-N 3.23Å; G468-S472 WeakPolarHBondContact O-CB 3.49Å; G468-S472 PolarHBondContact O-N 3.13Å
469S92.3Very high89Confident0 Ų030.5 Ų30.50%018%0.18CC..Hα-helixtrans-69.6-24.9177.466.40000114.3A465 R466 V467 P473A465-S469 PolarHBondContact O-N 3.08Å; R466-S469 WeakPolarHBondContact CA-OG 3.21Å; R466-S469 PolarHBondContact O-N 2.84Å; R466-S469 VanDerWaalsContact O-N 3.12Å; R466-S469 PolarHBondContact O-OG 3.24Å; V467-S469 VanDerWaalsContact C-N 3.32Å; V467-S469 PolarHBondContact O-N 3.1Å; S469-P473 WeakPolarHBondContact O-CD 3.46Å
470I94.1Very high88.5Confident25 Ų2534.1 Ų34.113%0.12819%0.187CC..Hα-helixtrans-77.4-43175.3-67.3162.4000110.3M142 V143 L146 R466 V467 G468 S472M142-I470 HydrophobicContact CB-CB 4.43Å; M142-I470 HydrophobicContact CB-CG1 3.59Å; V143-I470 HydrophobicContact CB-CD1 4.46Å; V143-I470 HydrophobicContact CG2-CD1 3.87Å; V143-I470 HydrophobicContact CG2-CG1 4.01Å; V143-I470 HydrophobicContact CG2-CG2 3.8Å; L146-I470 HydrophobicContact CB-CD1 4.14Å; L146-I470 HydrophobicContact CD2-CD1 3.77Å; R466-I470 VanDerWaalsContact O-CG1 3.31Å; R466-I470 WeakPolarHBondContact O-CG1 3.46Å; R466-I470 PolarHBondContact O-N 3.12Å; V467-I470 PolarHBondContact O-N 3.36Å; V467-I470 VanDerWaalsContact O-N 3.1Å; G468-I470 VanDerWaalsContact C-N 3.32Å; G468-I470 PolarHBondContact O-N 2.86Å; I470-S472 VanDerWaalsContact C-N 3.3Å
471V93.6Very high88.2Confident51 Ų5138.4 Ų38.431%0.30921%0.21SC..Hα-helixtrans-71.4-29.4-179177.70000111.4F347 F351 V467 G468 L474 V475F347-V471 HydrophobicContact CE2-CG2 4.37Å; F347-V471 HydrophobicContact CZ-CB 4.44Å; F347-V471 HydrophobicContact CZ-CG1 4.47Å; F351-V471 HydrophobicContact CD2-CB 4.37Å; F351-V471 HydrophobicContact CD2-CG1 4.31Å; F351-V471 HydrophobicContact CE2-CB 4.48Å; F351-V471 HydrophobicContact CE2-CG1 4Å; V467-V471 HydrophobicContact CG1-CG2 4.32Å; V467-V471 WeakPolarHBondContact O-CG2 3.33Å; V467-V471 PolarHBondContact O-N 3.4Å; G468-V471 PolarHBondContact O-N 3.23Å; V471-L474 WeakPolarHBondContact O-CB 3.22Å; V471-L474 PolarHBondContact O-N 3.09Å; V471-V475 HydrophobicContact CG1-CG2 4.19Å; V471-V475 PolarHBondContact O-N 3.13Å; V471-V475 VanDerWaalsContact O-N 3.1Å
472S91.9Very high87.7Confident0 Ų046.1 Ų46.10%024%0.24CC..Hα-helixtrans-54.3-61.5-177.4157.50000113.4F351 Y354 G355 G468 I470 L474 V475 S476 Y490F351-S472 WeakPolarHBondContact O-CB 3.48Å; F351-S472 PolarHBondContact O-OG 2.8Å; Y354-S472 VanDerWaalsContact C-OG 3.26Å; G355-S472 WeakPolarHBondContact CA-OG 3.41Å; G355-S472 PolarHBondContact N-OG 2.96Å; G468-S472 WeakPolarHBondContact O-CB 3.49Å; G468-S472 PolarHBondContact O-N 3.13Å; I470-S472 VanDerWaalsContact C-N 3.3Å; S472-L474 PolarHBondContact O-N 2.62Å; S472-L474 VanDerWaalsContact O-N 3.1Å; S472-V475 WeakPolarHBondContact O-CB 3.4Å; S472-V475 PolarHBondContact O-N 3.46Å; S472-S476 PolarHBondContact O-N 2.84Å; S472-Y490 PolarHBondContact O-OH 2.95Å
473P87Confident87.3Confident0 Ų048.7 Ų48.70%026%0.256CS..Hα-helixtrans-59.8-28.8-178.8-20.629.9000113.7Q135 Q138 S469 V475 S476Q135-P473 HydrophobicContact CB-CB 4.26Å; Q135-P473 WeakPolarHBondContact CB-O 3.34Å; Q138-P473 HydrophobicContact CB-CB 4.28Å; Q138-P473 HydrophobicContact CB-CG 4.19Å; Q138-P473 HydrophobicContact CG-CB 4.41Å; Q138-P473 HydrophobicContact CG-CG 3.84Å; S469-P473 WeakPolarHBondContact O-CD 3.46Å; P473-V475 VanDerWaalsContact C-N 3.35Å; P473-S476 WeakPolarHBondContact O-CB 3.46Å; P473-S476 PolarHBondContact O-N 3.36Å
474L88.5Confident86.9Confident72 Ų7248.9 Ų48.938%0.37726%0.259SS..Hα-helixtrans-65.5-37174.3-57.7178.3000112S139 V471 S472 S476 M477S139-L474 WeakPolarHBondContact OG-CD2 3.49Å; V471-L474 WeakPolarHBondContact O-CB 3.22Å; V471-L474 PolarHBondContact O-N 3.09Å; S472-L474 PolarHBondContact O-N 2.62Å; S472-L474 VanDerWaalsContact O-N 3.1Å; L474-S476 VanDerWaalsContact C-N 3.3Å; L474-S476 PolarHBondContact O-N 2.97Å; L474-M477 HydrophobicContact CD2-SD 4.08Å; L474-M477 VanDerWaalsContact O-CB 3.23Å; L474-M477 WeakPolarHBondContact O-CB 3.46Å; L474-M477 WeakPolarHBondContact O-CG 3.46Å; L474-M477 PolarHBondContact O-N 3.11Å; L474-M477 VanDerWaalsContact O-N 3.11Å
475V90.1Very high86.7Confident21 Ų2148.7 Ų48.713%0.12726%0.26CS..Hα-helixtrans-66.4-33.4174.2169.90000111.4F351 V471 S472 P473 M477 T478 I489 Y490F351-V475 HydrophobicContact CE2-CB 4.13Å; F351-V475 HydrophobicContact CE2-CG2 3.69Å; F351-V475 HydrophobicContact CZ-CB 4.09Å; F351-V475 HydrophobicContact CZ-CG1 4.16Å; F351-V475 HydrophobicContact CZ-CG2 3.77Å; V471-V475 HydrophobicContact CG1-CG2 4.19Å; V471-V475 PolarHBondContact O-N 3.13Å; V471-V475 VanDerWaalsContact O-N 3.1Å; S472-V475 WeakPolarHBondContact O-CB 3.4Å; S472-V475 PolarHBondContact O-N 3.46Å; P473-V475 VanDerWaalsContact C-N 3.35Å; V475-M477 PolarHBondContact O-N 3.11Å; V475-M477 VanDerWaalsContact O-N 3.11Å; V475-T478 WeakPolarHBondContact O-CB 3.14Å; V475-T478 WeakPolarHBondContact O-CG2 3.25Å; V475-T478 PolarHBondContact O-N 3.24Å; V475-T478 PolarHBondContact O-OG1 2.96Å; V475-I489 HydrophobicContact CG1-CB 3.88Å; V475-I489 HydrophobicContact CG1-CD1 3.74Å; V475-I489 HydrophobicContact CG1-CG1 4.41Å; V475-I489 HydrophobicContact CG1-CG2 3.79Å; V475-I489 HydrophobicContact CG2-CG2 4.49Å; V475-Y490 HydrophobicContact CB-CE1 4.1Å; V475-Y490 HydrophobicContact CG1-CE1 3.98Å
476S84.8Confident86.6Confident11 Ų1148.6 Ų48.68%0.07726%0.259CS..Hα-helixtrans-60.2-20.2172.5-69.30000113.5S472 P473 L474 T478 A479 Y490S472-S476 PolarHBondContact O-N 2.84Å; P473-S476 WeakPolarHBondContact O-CB 3.46Å; P473-S476 PolarHBondContact O-N 3.36Å; L474-S476 VanDerWaalsContact C-N 3.3Å; L474-S476 PolarHBondContact O-N 2.97Å; S476-T478 PolarHBondContact O-N 3.47Å; S476-A479 WeakPolarHBondContact O-CB 3.21Å; S476-A479 PolarHBondContact O-N 3.32Å; S476-Y490 PolarHBondContact N-OH 3.27Å; S476-Y490 PolarHBondContact OG-OH 3.49Å
477M82.6Confident86.5Confident61 Ų6146.7 Ų46.730%0.325%0.253SS..G310 helixtrans-67-23.9173.7-59.4175.348.500112.5A132 Q135 L474 V475 A479 E480A132-M477 HydrophobicContact CB-CE 3.39Å; A132-M477 HydrophobicContact CB-SD 4.32Å; Q135-M477 HydrophobicContact CB-CG 3.91Å; Q135-M477 HydrophobicContact CB-SD 4.36Å; Q135-M477 HydrophobicContact CG-CG 4.1Å; L474-M477 HydrophobicContact CD2-SD 4.08Å; L474-M477 VanDerWaalsContact O-CB 3.23Å; L474-M477 WeakPolarHBondContact O-CB 3.46Å; L474-M477 WeakPolarHBondContact O-CG 3.46Å; L474-M477 PolarHBondContact O-N 3.11Å; L474-M477 VanDerWaalsContact O-N 3.11Å; V475-M477 PolarHBondContact O-N 3.11Å; V475-M477 VanDerWaalsContact O-N 3.11Å; M477-A479 PolarHBondContact O-N 3.04Å; M477-A479 VanDerWaalsContact O-N 3.1Å; M477-E480 WeakPolarHBondContact O-CB 3.26Å; M477-E480 WeakPolarHBondContact O-CG 3.38Å; M477-E480 PolarHBondContact O-N 3.39Å; M477-E480 VanDerWaalsContact O-N 3.12Å
478T83.4Confident86.5Confident40 Ų4048.5 Ų48.525%0.24526%0.257CS..G310 helixtrans-66-11.6175.765.50000113.4V475 S476 E480 L481 Y482V475-T478 WeakPolarHBondContact O-CB 3.14Å; V475-T478 WeakPolarHBondContact O-CG2 3.25Å; V475-T478 PolarHBondContact O-N 3.24Å; V475-T478 PolarHBondContact O-OG1 2.96Å; S476-T478 PolarHBondContact O-N 3.47Å; T478-E480 PolarHBondContact O-N 3.2Å; T478-E480 VanDerWaalsContact O-N 3.13Å; T478-L481 PolarHBondContact O-N 3.22Å; T478-L481 VanDerWaalsContact O-N 3.09Å; T478-Y482 PolarHBondContact O-N 2.86Å
479A80.6Confident86.5Confident28 Ų2851.1 Ų51.123%0.23127%0.271CS..G310 helixtrans-57.9-20.517000000113.1S476 M477 L481 Y482 P486S476-A479 WeakPolarHBondContact O-CB 3.21Å; S476-A479 PolarHBondContact O-N 3.32Å; M477-A479 PolarHBondContact O-N 3.04Å; M477-A479 VanDerWaalsContact O-N 3.1Å; A479-L481 VanDerWaalsContact C-N 3.33Å; A479-Y482 CarbonylContact O-C 3.53Å; A479-P486 HydrophobicContact CB-CG 3.84Å
480E73.1Confident86.6Confident112 Ų11251.2 Ų51.252%0.52327%0.271SS..G310 helixtrans-66.5-33.3175.5-68.9176.2-170.500112.7M477 T478M477-E480 WeakPolarHBondContact O-CB 3.26Å; M477-E480 WeakPolarHBondContact O-CG 3.38Å; M477-E480 PolarHBondContact O-N 3.39Å; M477-E480 VanDerWaalsContact O-N 3.12Å; T478-E480 PolarHBondContact O-N 3.2Å; T478-E480 VanDerWaalsContact O-N 3.13Å
481L77.8Confident86.6Confident132 Ų13250 Ų5069%0.69127%0.265SS*.THydrogen-bonded Turntrans-78.7-51.1174.7-70.9116000110.6T478 A479T478-L481 PolarHBondContact O-N 3.22Å; T478-L481 VanDerWaalsContact O-N 3.09Å; A479-L481 VanDerWaalsContact C-N 3.33Å
482Y79.1Confident86.7Confident165 Ų16549.9 Ų49.965%0.64727%0.27SS*.  trans-149.4125.4-179.4-70.4-78.8000110.2T478 A479 S484 V485T478-Y482 PolarHBondContact O-N 2.86Å; A479-Y482 CarbonylContact O-C 3.53Å; Y482-S484 PolarHBondContact O-N 2.9Å; Y482-S484 VanDerWaalsContact O-N 3.08Å; Y482-V485 HydrophobicContact CD2-CG2 4.39Å; Y482-V485 HydrophobicContact CG-CG2 4.37Å; Y482-V485 PolarHBondContact O-N 3.18Å; Y482-V485 VanDerWaalsContact O-N 3.13Å
483P78.4Confident87Confident91 Ų9151.9 Ų51.959%0.59128%0.282SS*.THydrogen-bonded Turntrans-55.7-30.8-176.2-29.335.2000115.3
484S82.8Confident87.4Confident52 Ų5251.9 Ų51.936%0.36428%0.282SS..THydrogen-bonded Turntrans-86-16-176.9-53.70000114.4G413 Y482 L487 F488G413-S484 PolarHBondContact O-OG 3Å; Y482-S484 PolarHBondContact O-N 2.9Å; Y482-S484 VanDerWaalsContact O-N 3.08Å; S484-L487 PolarHBondContact O-N 3.37Å; S484-F488 WeakPolarHBondContact O-CD2 3.49Å; S484-F488 PolarHBondContact O-N 3.33Å
485V88.9Confident87.8Confident49 Ų4950.5 Ų50.530%0.29728%0.276SS..Hα-helixtrans-59.1-43.9-174166.20000113.5Y482 L487 F488 I489Y482-V485 HydrophobicContact CD2-CG2 4.39Å; Y482-V485 HydrophobicContact CG-CG2 4.37Å; Y482-V485 PolarHBondContact O-N 3.18Å; Y482-V485 VanDerWaalsContact O-N 3.13Å; V485-L487 VanDerWaalsContact C-N 3.31Å; V485-L487 PolarHBondContact O-N 2.83Å; V485-F488 PolarHBondContact O-N 3.4Å; V485-F488 VanDerWaalsContact O-N 3.14Å; V485-I489 HydrophobicContact CG1-CD1 3.69Å; V485-I489 HydrophobicContact CG1-CG1 4.31Å; V485-I489 WeakPolarHBondContact O-CG1 3.49Å; V485-I489 PolarHBondContact O-N 3.16Å
486P90.1Very high88.1Confident4 Ų452.6 Ų52.63%0.02630%0.295CS..Hα-helixtrans-56.5-42.9177.7-24.331.2000113A479 F488 I489 Y490A479-P486 HydrophobicContact CB-CG 3.84Å; P486-F488 VanDerWaalsContact C-N 3.34Å; P486-F488 PolarHBondContact O-N 3.27Å; P486-I489 PolarHBondContact O-N 3.39Å; P486-Y490 HydrophobicContact CB-CD2 4.23Å; P486-Y490 HydrophobicContact CB-CE2 3.79Å; P486-Y490 WeakPolarHBondContact O-CB 3.11Å; P486-Y490 WeakPolarHBondContact O-CD2 3.26Å; P486-Y490 PolarHBondContact O-N 3.46Å
487L90.3Very high88.6Confident18 Ų1852.2 Ų52.29%0.09429%0.293CS..Hα-helixtrans-63.3-40.3178.6-68.1172.4000111.5I409 S484 V485 I489 Y490 G491I409-L487 HydrophobicContact CG2-CD2 4.28Å; I409-L487 WeakPolarHBondContact CG2-O 3.44Å; S484-L487 PolarHBondContact O-N 3.37Å; V485-L487 VanDerWaalsContact C-N 3.31Å; V485-L487 PolarHBondContact O-N 2.83Å; L487-I489 VanDerWaalsContact C-N 3.33Å; L487-I489 PolarHBondContact O-N 3.09Å; L487-Y490 PolarHBondContact O-N 3.21Å; L487-G491 PolarHBondContact O-N 3.36Å
488F93.1Very high89.3Confident86 Ų8649.7 Ų49.738%0.37728%0.281SS..Hα-helixtrans-62-41.3174.8-72.5-66.8000112.3L410 V414 S484 V485 P486 G491 A492L410-F488 HydrophobicContact CD2-CD1 3.86Å; V414-F488 HydrophobicContact CG2-CE1 3.96Å; V414-F488 HydrophobicContact CG2-CZ 3.88Å; S484-F488 WeakPolarHBondContact O-CD2 3.49Å; S484-F488 PolarHBondContact O-N 3.33Å; V485-F488 PolarHBondContact O-N 3.4Å; V485-F488 VanDerWaalsContact O-N 3.14Å; P486-F488 VanDerWaalsContact C-N 3.34Å; P486-F488 PolarHBondContact O-N 3.27Å; F488-G491 PolarHBondContact O-N 3.05Å; F488-A492 WeakPolarHBondContact O-CB 2.97Å; F488-A492 PolarHBondContact O-N 3.5Å
489I94.5Very high89.8Confident56 Ų5650.8 Ų50.829%0.28729%0.294SS..Hα-helixtrans-68.5-45.4177.4-60.3168000110.5F351 V475 V485 P486 L487 G491 A492 V493F351-I489 HydrophobicContact CE1-CG2 4.04Å; F351-I489 HydrophobicContact CZ-CG2 3.79Å; V475-I489 HydrophobicContact CG1-CB 3.88Å; V475-I489 HydrophobicContact CG1-CD1 3.74Å; V475-I489 HydrophobicContact CG1-CG1 4.41Å; V475-I489 HydrophobicContact CG1-CG2 3.79Å; V475-I489 HydrophobicContact CG2-CG2 4.49Å; V485-I489 HydrophobicContact CG1-CD1 3.69Å; V485-I489 HydrophobicContact CG1-CG1 4.31Å; V485-I489 WeakPolarHBondContact O-CG1 3.49Å; V485-I489 PolarHBondContact O-N 3.16Å; P486-I489 PolarHBondContact O-N 3.39Å; L487-I489 VanDerWaalsContact C-N 3.33Å; L487-I489 PolarHBondContact O-N 3.09Å; I489-G491 PolarHBondContact O-N 2.94Å; I489-A492 PolarHBondContact O-N 2.78Å; I489-V493 HydrophobicContact CG2-CG2 4.42Å; I489-V493 WeakPolarHBondContact O-CG2 3.37Å; I489-V493 PolarHBondContact O-N 3.3Å
490Y94Very high90.4Very high1 Ų151 Ų510%0.00429%0.293CS..Hα-helixtrans-62.8-29177.5-66.2-39.6000113.3F351 A352 G355 S472 V475 S476 P486 L487 P494F351-Y490 HydrophobicContact CD1-CD1 4.14Å; F351-Y490 AromaticContact CE1-CD1 3.52Å; F351-Y490 HydrophobicContact CE1-CD1 3.52Å; F351-Y490 HydrophobicContact CE1-CE1 4.06Å; F351-Y490 HydrophobicContact CE2-CD1 4.2Å; F351-Y490 AromaticContact CE2-CE1 3.89Å; F351-Y490 HydrophobicContact CE2-CE1 3.89Å; F351-Y490 AromaticContact CZ-CD1 3.53Å; F351-Y490 HydrophobicContact CZ-CD1 3.53Å; F351-Y490 AromaticContact CZ-CE1 3.59Å; F351-Y490 HydrophobicContact CZ-CE1 3.59Å; A352-Y490 WeakPolarHBondContact CB-O 3.35Å; G355-Y490 VanDerWaalsContact CA-CZ 3.41Å; S472-Y490 PolarHBondContact O-OH 2.95Å; V475-Y490 HydrophobicContact CB-CE1 4.1Å; V475-Y490 HydrophobicContact CG1-CE1 3.98Å; S476-Y490 PolarHBondContact N-OH 3.27Å; S476-Y490 PolarHBondContact OG-OH 3.49Å; P486-Y490 HydrophobicContact CB-CD2 4.23Å; P486-Y490 HydrophobicContact CB-CE2 3.79Å; P486-Y490 WeakPolarHBondContact O-CB 3.11Å; P486-Y490 WeakPolarHBondContact O-CD2 3.26Å; P486-Y490 PolarHBondContact O-N 3.46Å; L487-Y490 PolarHBondContact O-N 3.21Å; Y490-P494 WeakPolarHBondContact O-CD 3.03Å; Y490-P494 WeakPolarHBondContact O-CG 3.37Å
491G94.4Very high91.2Very high0 Ų045.7 Ų45.70%027%0.268CS..Hα-helixtrans-85.1-42175.800000113.6G406 L487 F488 I489 V493 P494 V495G406-G491 WeakPolarHBondContact CA-O 3.34Å; L487-G491 PolarHBondContact O-N 3.36Å; F488-G491 PolarHBondContact O-N 3.05Å; I489-G491 PolarHBondContact O-N 2.94Å; G491-V493 PolarHBondContact O-N 3.3Å; G491-P494 WeakPolarHBondContact O-CD 3.29Å; G491-V495 WeakPolarHBondContact O-CG2 3.48Å; G491-V495 PolarHBondContact O-N 3.14Å
492A96.3Very high91.7Very high49 Ų4942.8 Ų42.841%0.40526%0.256SS..Hα-helixtrans-66.1-38.7-176.500000112.9F488 I489 V495 A496F488-A492 WeakPolarHBondContact O-CB 2.97Å; F488-A492 PolarHBondContact O-N 3.5Å; I489-A492 PolarHBondContact O-N 2.78Å; A492-V495 PolarHBondContact O-N 3.03Å; A492-A496 WeakPolarHBondContact O-CB 3.38Å; A492-A496 PolarHBondContact O-N 2.64Å
493V96.8Very high92.2Very high41 Ų4139.5 Ų39.525%0.24825%0.249CC..Hα-helixtrans-62.8-49.9-178.7170.60000112.1F347 A348 F351 I489 G491 V495 A496 A497F347-V493 HydrophobicContact CD1-CG1 4.32Å; F347-V493 HydrophobicContact CE1-CG1 4.26Å; A348-V493 HydrophobicContact CB-CG1 3.74Å; F351-V493 HydrophobicContact CD1-CB 4.06Å; F351-V493 HydrophobicContact CD1-CG1 3.95Å; F351-V493 HydrophobicContact CD1-CG2 4.31Å; F351-V493 HydrophobicContact CE1-CB 4.07Å; F351-V493 HydrophobicContact CE1-CG1 4.4Å; F351-V493 HydrophobicContact CE1-CG2 3.92Å; I489-V493 HydrophobicContact CG2-CG2 4.42Å; I489-V493 WeakPolarHBondContact O-CG2 3.37Å; I489-V493 PolarHBondContact O-N 3.3Å; G491-V493 PolarHBondContact O-N 3.3Å; V493-V495 PolarHBondContact O-N 3.3Å; V493-A496 PolarHBondContact O-N 3.25Å; V493-A497 WeakPolarHBondContact O-CB 3.26Å; V493-A497 PolarHBondContact O-N 3.4Å
494P96.6Very high92.7Very high0 Ų035.3 Ų35.30%022%0.221CC..Hα-helixtrans-58.7-39.4171-2835.4000114.6A352 L402 Y490 G491 A497 S498A352-P494 HydrophobicContact CB-CG 3.43Å; A352-P494 VanDerWaalsContact CB-CG 3.43Å; L402-P494 HydrophobicContact CD2-CB 4.22Å; Y490-P494 WeakPolarHBondContact O-CD 3.03Å; Y490-P494 WeakPolarHBondContact O-CG 3.37Å; G491-P494 WeakPolarHBondContact O-CD 3.29Å; P494-A497 PolarHBondContact O-N 3.44Å; P494-S498 PolarHBondContact O-N 3.05Å
495V97.1Very high93Very high44 Ų4434.5 Ų34.527%0.26722%0.215SC..Hα-helixtrans-62.1-48176.51730000110.3L403 L410 G491 A492 V493 A497 S498 A499L403-V495 HydrophobicContact CD1-CG1 4.18Å; L403-V495 HydrophobicContact CD1-CG2 4.43Å; L410-V495 HydrophobicContact CD1-CG2 4.01Å; G491-V495 WeakPolarHBondContact O-CG2 3.48Å; G491-V495 PolarHBondContact O-N 3.14Å; A492-V495 PolarHBondContact O-N 3.03Å; V493-V495 PolarHBondContact O-N 3.3Å; V495-A497 VanDerWaalsContact C-N 3.33Å; V495-A497 PolarHBondContact O-N 2.97Å; V495-S498 WeakPolarHBondContact O-CB 3.26Å; V495-S498 PolarHBondContact O-N 3.01Å; V495-S498 PolarHBondContact O-OG 2.69Å; V495-A499 PolarHBondContact O-N 2.77Å
496A96.2Very high92.9Very high64 Ų6435.2 Ų35.253%0.52922%0.215SC..Hα-helixtrans-61.7-42.2176.300000111.7A492 V493 S498 A499A492-A496 WeakPolarHBondContact O-CB 3.38Å; A492-A496 PolarHBondContact O-N 2.64Å; V493-A496 PolarHBondContact O-N 3.25Å; A496-S498 VanDerWaalsContact C-N 3.29Å; A496-S498 PolarHBondContact O-N 3.37Å; A496-A499 WeakPolarHBondContact O-CB 3.48Å; A496-A499 PolarHBondContact O-N 3.13Å
497A95.6Very high92.8Very high3 Ų335.6 Ų35.63%0.02522%0.217CC..Hα-helixtrans-64.8-32176.700000112.6L345 A348 L402 V493 P494 V495 A499 V500 T501L345-A497 HydrophobicContact CD2-CB 4.2Å; L345-A497 VanDerWaalsContact CD2-O 3.3Å; L345-A497 WeakPolarHBondContact CD2-O 3.31Å; A348-A497 HydrophobicContact CB-CB 3.4Å; A348-A497 VanDerWaalsContact CB-CB 3.4Å; L402-A497 HydrophobicContact CD1-CB 4.36Å; V493-A497 WeakPolarHBondContact O-CB 3.26Å; V493-A497 PolarHBondContact O-N 3.4Å; P494-A497 PolarHBondContact O-N 3.44Å; V495-A497 VanDerWaalsContact C-N 3.33Å; V495-A497 PolarHBondContact O-N 2.97Å; A497-A499 VanDerWaalsContact C-N 3.28Å; A497-A499 PolarHBondContact O-N 3.48Å; A497-V500 WeakPolarHBondContact O-CB 3.38Å; A497-V500 PolarHBondContact O-N 2.03Å; A497-V500 VanDerWaalsContact O-N 3.1Å; A497-T501 PolarHBondContact O-N 3.24Å
498S95.5Very high92.5Very high8 Ų837.9 Ų37.96%0.05623%0.229CC..Hα-helixtrans-61.2-36.8175.480.50000111.9P494 V495 A496 V500 T501P494-S498 PolarHBondContact O-N 3.05Å; V495-S498 WeakPolarHBondContact O-CB 3.26Å; V495-S498 PolarHBondContact O-N 3.01Å; V495-S498 PolarHBondContact O-OG 2.69Å; A496-S498 VanDerWaalsContact C-N 3.29Å; A496-S498 PolarHBondContact O-N 3.37Å; S498-V500 VanDerWaalsContact C-N 3.3Å; S498-V500 PolarHBondContact O-N 2.79Å; S498-T501 WeakPolarHBondContact O-CB 3.23Å; S498-T501 PolarHBondContact O-N 3.12Å; S498-T501 VanDerWaalsContact O-N 3.17Å; S498-T501 PolarHBondContact O-OG1 3.08Å
499A94.3Very high91.8Very high63 Ų6337.6 Ų37.652%0.52125%0.251SS..Hα-helixtrans-64.4-35.2175.200000112.1V495 A496 A497 T501 V502V495-A499 PolarHBondContact O-N 2.77Å; A496-A499 WeakPolarHBondContact O-CB 3.48Å; A496-A499 PolarHBondContact O-N 3.13Å; A497-A499 VanDerWaalsContact C-N 3.28Å; A497-A499 PolarHBondContact O-N 3.48Å; A499-T501 PolarHBondContact O-N 3.18Å; A499-V502 VanDerWaalsContact O-CB 3.31Å; A499-V502 WeakPolarHBondContact O-CB 3.47Å; A499-V502 WeakPolarHBondContact O-CG2 3.35Å; A499-V502 PolarHBondContact O-N 3.29Å
500V93Very high91Very high34 Ų3440.4 Ų40.421%0.20626%0.263CS..Hα-helixtrans-64.8-28.2177-179.20000111.8C341 A497 S498 V502 L503C341-V500 HydrophobicContact CB-CG1 3.81Å; A497-V500 WeakPolarHBondContact O-CB 3.38Å; A497-V500 PolarHBondContact O-N 2.03Å; A497-V500 VanDerWaalsContact O-N 3.1Å; S498-V500 VanDerWaalsContact C-N 3.3Å; S498-V500 PolarHBondContact O-N 2.79Å; V500-V502 PolarHBondContact O-N 3.06Å; V500-V502 VanDerWaalsContact O-N 3.16Å; V500-L503 WeakPolarHBondContact O-CB 3.27Å; V500-L503 PolarHBondContact O-N 2.98Å
501T90.4Very high90.2Very high0 Ų044.6 Ų44.60%029%0.29CS..G310 helixtrans-61-25176.468.10000113.3L345 Q398 M399 L402 A497 S498 A499 L503 L504L345-T501 HydrophobicContact CD1-CG2 4.02Å; L345-T501 HydrophobicContact CD2-CG2 3.33Å; L345-T501 HydrophobicContact CG-CG2 4.33Å; Q398-T501 HydrophobicContact CB-CG2 4.43Å; Q398-T501 HydrophobicContact CG-CG2 3.88Å; M399-T501 VanDerWaalsContact CB-OG1 3.26Å; M399-T501 WeakPolarHBondContact CB-OG1 3.36Å; M399-T501 WeakPolarHBondContact CG-OG1 3.12Å; L402-T501 HydrophobicContact CD1-CG2 4.38Å; A497-T501 PolarHBondContact O-N 3.24Å; S498-T501 WeakPolarHBondContact O-CB 3.23Å; S498-T501 PolarHBondContact O-N 3.12Å; S498-T501 VanDerWaalsContact O-N 3.17Å; S498-T501 PolarHBondContact O-OG1 3.08Å; A499-T501 PolarHBondContact O-N 3.18Å; T501-L503 PolarHBondContact O-N 2.99Å; T501-L504 WeakPolarHBondContact O-CB 3.45Å; T501-L504 PolarHBondContact O-N 3.19Å; T501-L504 VanDerWaalsContact O-N 3.08Å
502V89.3Confident89.5Confident71 Ų7148.7 Ų48.743%0.4331%0.312SS..G310 helixtrans-63.2-28.5177.6179.10000111.4R395 M399 A499 V500 L504R395-V502 VanDerWaalsContact CZ-O 3.24Å; R395-V502 PolarHBondContact NH1-O 2.97Å; R395-V502 PolarHBondContact NH2-O 2.71Å; R395-V502 VanDerWaalsContact NH2-O 3.17Å; M399-V502 HydrophobicContact SD-CG2 4.02Å; A499-V502 VanDerWaalsContact O-CB 3.31Å; A499-V502 WeakPolarHBondContact O-CB 3.47Å; A499-V502 WeakPolarHBondContact O-CG2 3.35Å; A499-V502 PolarHBondContact O-N 3.29Å; V500-V502 PolarHBondContact O-N 3.06Å; V500-V502 VanDerWaalsContact O-N 3.16Å; V502-L504 PolarHBondContact O-N 2.85Å
503L88.8Confident88.6Confident96 Ų9646.3 Ų46.350%0.50329%0.292SS..G310 helixtrans-78.3-6.2179-53.8177000113V500 T501 W523V500-L503 WeakPolarHBondContact O-CB 3.27Å; V500-L503 PolarHBondContact O-N 2.98Å; T501-L503 PolarHBondContact O-N 2.99Å; L503-W523 VanDerWaalsContact O-CH2 3.28Å; L503-W523 WeakPolarHBondContact O-CH2 3.35Å
504L89.5Confident87.5Confident2 Ų249 Ų491%0.0131%0.305CS..SBendtrans-98146.1179.1-63.9173.6000111.4L338 C341 L342 L345 R395 Y444 L448 T501 V502L338-L504 HydrophobicContact CD1-CD2 3.61Å; C341-L504 HydrophobicContact CB-CD1 4.38Å; C341-L504 HydrophobicContact CB-CD2 3.71Å; C341-L504 HydrophobicContact CB-CG 4.13Å; L342-L504 HydrophobicContact CD2-CD1 3.99Å; L345-L504 HydrophobicContact CD1-CD1 3.44Å; L345-L504 VanDerWaalsContact CD1-CD1 3.44Å; R395-L504 WeakPolarHBondContact CD-O 3.43Å; R395-L504 PolarHBondContact NH1-O 2.88Å; R395-L504 VanDerWaalsContact NH1-O 3.17Å; Y444-L504 HydrophobicContact CE1-CB 4.17Å; Y444-L504 HydrophobicContact CE1-CD1 3.75Å; Y444-L504 WeakPolarHBondContact OH-CB 3.47Å; L448-L504 HydrophobicContact CD1-CD1 4.48Å; L448-L504 HydrophobicContact CD1-CD2 4.48Å; T501-L504 WeakPolarHBondContact O-CB 3.45Å; T501-L504 PolarHBondContact O-N 3.19Å; T501-L504 VanDerWaalsContact O-N 3.08Å; V502-L504 PolarHBondContact O-N 2.85Å
505P87.6Confident86.6Confident36 Ų3651.9 Ų51.923%0.23432%0.323CS..PPolyproline II helixtrans-78.7150.317832.4-35.7000111.4Y444 L448 W523Y444-P505 WeakPolarHBondContact CE2-O 3.27Å; Y444-P505 PolarHBondContact OH-O 2.95Å; L448-P505 HydrophobicContact CD2-CG 3.55Å; P505-W523 HydrophobicContact CG-CZ2 4.24Å
506E88.3Confident85.6Confident64 Ų6452 Ų5230%0.29932%0.323SS..PPolyproline II helixtrans-72.1143.2171.6-178.753.1-110.700110.9R394 R395 P396 L508R394-E506 PolarHBondContact N-OE1 3.05Å; R394-E506 PolarHBondContact N-OE2 2.69Å; R395-E506 WeakPolarHBondContact CB-OE2 3.49Å; R395-E506 PolarHBondContact N-OE2 3.45Å; P396-E506 WeakPolarHBondContact CD-OE2 3.08Å; E506-L508 HydrophobicContact CG-CB 4.09Å; E506-L508 WeakPolarHBondContact OE1-CB 3.35Å; E506-L508 PolarHBondContact OE1-N 3.01Å
507T86.8Confident84.5Confident11 Ų1155.9 Ų55.97%0.06733%0.331CS..  trans-112.8-10.5-178.453.60000113.5R394 Y444 E447 L448 G509 Q510R394-T507 WeakPolarHBondContact CD-OG1 3.43Å; R394-T507 WeakPolarHBondContact CG-OG1 3.11Å; Y444-T507 HydrophobicContact CD2-CG2 4.01Å; Y444-T507 HydrophobicContact CE2-CG2 3.78Å; E447-T507 HydrophobicContact CB-CG2 3.84Å; E447-T507 VanDerWaalsContact OE2-CB 3.23Å; E447-T507 WeakPolarHBondContact OE2-CB 3.42Å; E447-T507 PolarHBondContact OE2-OG1 3.05Å; L448-T507 HydrophobicContact CD2-CG2 4Å; L448-T507 HydrophobicContact CG-CG2 4.12Å; T507-G509 PolarHBondContact O-N 3.31Å; T507-Q510 PolarHBondContact O-N 3.43Å; T507-Q510 VanDerWaalsContact O-N 3.13Å
508L85.5Confident83.5Confident66 Ų6658.6 Ų58.635%0.34635%0.345SS..THydrogen-bonded Turntrans-55.3123.2178.6-175.268.9000111.9E506 Q510E506-L508 HydrophobicContact CG-CB 4.09Å; E506-L508 WeakPolarHBondContact OE1-CB 3.35Å; E506-L508 PolarHBondContact OE1-N 3.01Å; L508-Q510 PolarHBondContact O-N 2.95Å; L508-Q510 VanDerWaalsContact O-N 3.16Å
509G77Confident82.7Confident81 Ų8158.4 Ų58.484%0.83534%0.343SS*.THydrogen-bonded Turntrans70.33.1177.100000115T507T507-G509 PolarHBondContact O-N 3.31Å
510Q78.1Confident81.9Confident114 Ų11459.2 Ų59.253%0.53334%0.336SS..PPolyproline II helixtrans-88.5144.5178.1-64-66.6-24.100110.6T507 L508T507-Q510 PolarHBondContact O-N 3.43Å; T507-Q510 VanDerWaalsContact O-N 3.13Å; L508-Q510 PolarHBondContact O-N 2.95Å; L508-Q510 VanDerWaalsContact O-N 3.16Å
511P76.6Confident81.1Confident90 Ų9061.4 Ų61.458%0.58435%0.353SS*.PPolyproline II helixtrans-61.9156.817226-32000110.3R522P511-R522 PolarHBondContact O-NH1 3.49Å; P511-R522 PolarHBondContact O-NH2 3.24Å
512L80.1Confident80.3Confident85 Ų8565.3 Ų65.345%0.44537%0.367SS..PPolyproline II helixtrans-72137.9174.4-71.3158.3000109.7E447 D514E447-L512 HydrophobicContact CB-CD2 4.32Å; E447-L512 HydrophobicContact CG-CD2 4.18Å; L512-D514 PolarHBondContact O-N 3.06Å
513P77.2Confident79.3Confident0 Ų065.4 Ų65.40%036%0.36CS..PPolyproline II helixtrans-71.4130.1174.626-26.8000109.3E447 P450 T451 D518E447-P513 WeakPolarHBondContact O-CD 3.44Å; P450-P513 WeakPolarHBondContact CA-O 3.38Å; P450-P513 HydrophobicContact CB-CB 4.24Å; P450-P513 HydrophobicContact CB-CG 4.47Å; T451-P513 PolarHBondContact N-O 3.47Å; T451-P513 PolarHBondContact OG1-O 3.36Å; P513-D518 HydrophobicContact CB-CB 4.22Å
514D73.3Confident78Confident98 Ų9863.4 Ų63.452%0.52436%0.358SS..  trans-95.7-35.1177.5-75.1-36.7000111.2T451 L512 D518T451-D514 PolarHBondContact OG1-OD1 3.36Å; L512-D514 PolarHBondContact O-N 3.06Å; D514-D518 PolarHBondContact N-OD2 3.1Å
515T77.9Confident75.9Confident60 Ų6069 Ų6937%0.36839%0.394SS..SBendtrans-120.1164.9179.969.80000113Q517 D518 L519T515-Q517 PolarHBondContact O-N 3.12Å; T515-D518 PolarHBondContact N-OD2 3.27Å; T515-D518 PolarHBondContact O-N 3.3Å; T515-D518 PolarHBondContact OG1-N 2.89Å; T515-D518 PolarHBondContact OG1-OD1 3.4Å; T515-D518 PolarHBondContact OG1-OD2 3.41Å; T515-L519 PolarHBondContact O-N 2.99Å
516V77.1Confident73.7Confident45 Ų4573.6 Ų73.627%0.27342%0.422SS..Hα-helixtrans-65.5-31.5173.9-176.70000111.2C332 L335 P450 L519 E520C332-V516 HydrophobicContact CB-CG1 4.48Å; L335-V516 HydrophobicContact CD1-CG1 4.08Å; L335-V516 HydrophobicContact CD1-CG2 3.95Å; L335-V516 HydrophobicContact CG-CG1 4.2Å; P450-V516 HydrophobicContact CG-CG2 4.38Å; V516-L519 WeakPolarHBondContact O-CB 3.19Å; V516-L519 PolarHBondContact O-N 3.13Å; V516-L519 VanDerWaalsContact O-N 3.13Å; V516-E520 PolarHBondContact O-N 3.26Å
517Q73.4Confident71Confident147 Ų14779.5 Ų79.569%0.68745%0.449SS*.Hα-helixtrans-66.8-37.1176.5-68.3168-1400111.8T515 L519 E520 S521T515-Q517 PolarHBondContact O-N 3.12Å; Q517-L519 PolarHBondContact O-N 3.19Å; Q517-E520 PolarHBondContact O-N 2.01Å; Q517-S521 PolarHBondContact O-N 2.86Å; Q517-S521 PolarHBondContact O-OG 3.08Å; Q517-S521 VanDerWaalsContact O-OG 3.09Å
518D73.9Confident68.5Low60 Ų6089 Ų8932%0.32149%0.489SS..Hα-helixtrans-63.6-29.8172.8-57.5-37000112P513 D514 T515 S521 R522P513-D518 HydrophobicContact CB-CB 4.22Å; D514-D518 PolarHBondContact N-OD2 3.1Å; T515-D518 PolarHBondContact N-OD2 3.27Å; T515-D518 PolarHBondContact O-N 3.3Å; T515-D518 PolarHBondContact OG1-N 2.89Å; T515-D518 PolarHBondContact OG1-OD1 3.4Å; T515-D518 PolarHBondContact OG1-OD2 3.41Å; D518-S521 WeakPolarHBondContact CA-OG 3.3Å; D518-S521 PolarHBondContact O-OG 3.19Å; D518-R522 WeakPolarHBondContact O-CD 3Å; D518-R522 VanDerWaalsContact O-CG 3.28Å; D518-R522 WeakPolarHBondContact O-CG 2.7Å; D518-R522 PolarHBondContact O-NE 2.82Å
519L77.9Confident66.2Low3 Ų389.5 Ų89.52%0.01651%0.511CS..Hα-helixtrans-76.7-44.2175.4-17272.4000111.3T334 L335 L338 L448 T515 V516 Q517 S521 R522 W523T334-L519 HydrophobicContact CG2-CD2 3.95Å; T334-L519 HydrophobicContact CG2-CG 4.06Å; L335-L519 HydrophobicContact CD2-CD2 3.48Å; L335-L519 VanDerWaalsContact CD2-CD2 3.48Å; L338-L519 HydrophobicContact CD2-CD2 4.23Å; L448-L519 WeakPolarHBondContact O-CD1 3.37Å; T515-L519 PolarHBondContact O-N 2.99Å; V516-L519 WeakPolarHBondContact O-CB 3.19Å; V516-L519 PolarHBondContact O-N 3.13Å; V516-L519 VanDerWaalsContact O-N 3.13Å; Q517-L519 PolarHBondContact O-N 3.19Å; L519-S521 VanDerWaalsContact C-N 3.33Å; L519-S521 PolarHBondContact O-N 3.39Å; L519-R522 WeakPolarHBondContact O-CB 2.98Å; L519-R522 PolarHBondContact O-N 3.31Å; L519-W523 VanDerWaalsContact O-CD1 3.23Å; L519-W523 PolarHBondContact O-N 2.95Å
520E78.9Confident63.9Low81 Ų8189.3 Ų89.338%0.37950%0.502SS..Hα-helixtrans-61.8-40178.4-73.4177.3171.700112.2T334 V516 Q517 R522 W523 A524T334-E520 HydrophobicContact CG2-CG 4.47Å; V516-E520 PolarHBondContact O-N 3.26Å; Q517-E520 PolarHBondContact O-N 2.01Å; E520-R522 VanDerWaalsContact C-N 3.29Å; E520-R522 PolarHBondContact O-N 2.91Å; E520-W523 PolarHBondContact O-N 3.12Å; E520-W523 VanDerWaalsContact O-N 3.12Å; E520-A524 PolarHBondContact O-N 2.72Å
521S74.4Confident62.1Low79 Ų7988 Ų8855%0.55252%0.519SS*.Hα-helixtrans-65.2-29.2175.557.60000113.6Q517 D518 L519 W523Q517-S521 PolarHBondContact O-N 2.86Å; Q517-S521 PolarHBondContact O-OG 3.08Å; Q517-S521 VanDerWaalsContact O-OG 3.09Å; D518-S521 WeakPolarHBondContact CA-OG 3.3Å; D518-S521 PolarHBondContact O-OG 3.19Å; L519-S521 VanDerWaalsContact C-N 3.33Å; L519-S521 PolarHBondContact O-N 3.39Å; S521-W523 VanDerWaalsContact C-N 3.34Å
522R73.9Confident60Low82 Ų8290.6 Ų90.631%0.30953%0.526SS..Hα-helixtrans-72.6-27.9172.4-70.5171.6-163.3-145.3-1.9113.2P511 D518 L519 E520P511-R522 PolarHBondContact O-NH1 3.49Å; P511-R522 PolarHBondContact O-NH2 3.24Å; D518-R522 WeakPolarHBondContact O-CD 3Å; D518-R522 VanDerWaalsContact O-CG 3.28Å; D518-R522 WeakPolarHBondContact O-CG 2.7Å; D518-R522 PolarHBondContact O-NE 2.82Å; L519-R522 WeakPolarHBondContact O-CB 2.98Å; L519-R522 PolarHBondContact O-N 3.31Å; E520-R522 VanDerWaalsContact C-N 3.29Å; E520-R522 PolarHBondContact O-N 2.91Å
523W68.8Low57.6Low73 Ų7396.9 Ų96.928%0.27755%0.546SS..Hα-helixtrans-90.2-18.8-179.4-8161.2000112.9T334 H337 L503 P505 L519 E520 S521T334-W523 HydrophobicContact CG2-CB 4.28Å; T334-W523 HydrophobicContact CG2-CD2 3.91Å; T334-W523 HydrophobicContact CG2-CE3 4.42Å; T334-W523 HydrophobicContact CG2-CG 3.82Å; H337-W523 AromaticContact CE1-CH2 3.32Å; H337-W523 WeakPolarHBondContact CE1-CH2 3.14Å; H337-W523 AromaticContact CE1-CZ3 3.46Å; H337-W523 VanDerWaalsContact CE1-CZ3 3.46Å; H337-W523 WeakPolarHBondContact CE1-CZ3 3.41Å; H337-W523 AromaticContact CG-CZ3 3.93Å; H337-W523 AromaticContact ND1-CH2 2.96Å; H337-W523 WeakPolarHBondContact ND1-CH2 3.41Å; H337-W523 AromaticContact ND1-CZ3 3.17Å; H337-W523 WeakPolarHBondContact ND1-CZ3 3.48Å; L503-W523 VanDerWaalsContact O-CH2 3.28Å; L503-W523 WeakPolarHBondContact O-CH2 3.35Å; P505-W523 HydrophobicContact CG-CZ2 4.24Å; L519-W523 VanDerWaalsContact O-CD1 3.23Å; L519-W523 PolarHBondContact O-N 2.95Å; E520-W523 PolarHBondContact O-N 3.12Å; E520-W523 VanDerWaalsContact O-N 3.12Å; S521-W523 VanDerWaalsContact C-N 3.34Å
524A60.7Low55.5Low55 Ų55102.6 Ų102.646%0.45558%0.583SS.*SBendtrans-60.2126.7171.500000109.5E520 T526E520-A524 PolarHBondContact O-N 2.72Å; A524-T526 PolarHBondContact O-N 2.97Å
525P46.2Very low53.5Low120 Ų120109.5 Ų109.578%0.77960%0.602SS**  trans-57.9121.2175.921.7-29.4000108.1Q527P525-Q527 PolarHBondContact O-N 2.77Å
526T41Very low51.3Low131 Ų131117 Ų11780%0.80463%0.629SS**  trans-52.9114.4169.3-26.10000106A524 K528A524-T526 PolarHBondContact O-N 2.97Å; T526-K528 VanDerWaalsContact C-N 3.3Å; T526-K528 PolarHBondContact O-N 2.8Å
527Q31.5Very low49.1Very low188 Ų188118 Ų11888%0.87965%0.649SS**  trans-54.2104.3166.3-87.3-168.2-25.100106.4P525 G529P525-Q527 PolarHBondContact O-N 2.77Å; Q527-G529 PolarHBondContact O-N 2.68Å; Q527-G529 VanDerWaalsContact O-N 3.1Å
528K35.3Very low47.1Very low210 Ų210121 Ų12191%0.91366%0.66SS**SBendtrans-61.7113.4169.6-79.2-177.4174.3179.80106.6T526T526-K528 VanDerWaalsContact C-N 3.3Å; T526-K528 PolarHBondContact O-N 2.8Å
529G37Very low45Very low78 Ų78122.7 Ų122.780%0.80467%0.665SS**SBendtrans96.776.2161.200000116.3Q527Q527-G529 PolarHBondContact O-N 2.68Å; Q527-G529 VanDerWaalsContact O-N 3.1Å
530A29Very low43.1Very low77 Ų77126.8 Ų126.864%0.63669%0.691SS**  trans-161.3117.8135.900000108.1I532A530-I532 HydrophobicContact CB-CG1 4.47Å; A530-I532 PolarHBondContact O-N 2.82Å; A530-I532 VanDerWaalsContact O-N 3.13Å
531G40.7Very low41Very low87 Ų87127.9 Ų127.990%0.89771%0.705SS**  trans-58.2117.117000000109.3
532I31.3Very low39.2Very low143 Ų143132 Ų13273%0.73372%0.716SS**  trans-129.4104.8172.2-62.1178.5000106.9A530A530-I532 HydrophobicContact CB-CG1 4.47Å; A530-I532 PolarHBondContact O-N 2.82Å; A530-I532 VanDerWaalsContact O-N 3.13Å
533Y29.9Very low37.4Very low217 Ų217133.5 Ų133.585%0.85173%0.726SS**  trans-44.5139.5159.8-84-93.2000109.9R535Y533-R535 PolarHBondContact O-N 2.79Å
534P33.5Very low35.7Very low121 Ų121135.8 Ų135.879%0.78674%0.74SS**  trans-63111.8179.324.8-30.9000109.8K536P534-K536 PolarHBondContact O-N 3Å
535R30.1Very low34.6Very low243 Ų243139.8 Ų139.892%0.91775%0.749SS**  trans-67.1112.9169.8-146.2177.7-171.3-179.22.7106.8Y533 G537Y533-R535 PolarHBondContact O-N 2.79Å; R535-G537 PolarHBondContact O-N 2.83Å
536K33Very low34.1Very low216 Ų216141.5 Ų141.594%0.93975%0.746SS**  trans-52.598.6174.3-79179.2174.2176.70110.4P534P534-K536 PolarHBondContact O-N 3Å
537G30.4Very low33.6Very low67 Ų67141.9 Ų141.969%0.69174%0.739SS**PPolyproline II helixtrans-81.2133.4163.800000109.5R535 Q539R535-G537 PolarHBondContact O-N 2.83Å; G537-Q539 PolarHBondContact O-N 2.81Å
538K30.7Very low33.8Very low211 Ų211141.7 Ų141.792%0.91774%0.735SS**PPolyproline II helixtrans-51.9124.3-175.6-72.7174.4174.2177.70111.8
539Q29.9Very low33.9Very low94 Ų94141 Ų14144%0.43973%0.728SS.*PPolyproline II helixtrans-62.6130167.2-74175.1-28.500109.6G537 Q543G537-Q539 PolarHBondContact O-N 2.81Å; Q539-Q543 HydrophobicContact CB-CB 4.46Å
540T39.7Very low33.7Very low89 Ų89145 Ų14555%0.54673%0.728SS.*PPolyproline II helixtrans-67.4146166.2-50000108.9Q542 Q543T540-Q542 PolarHBondContact O-N 2.97Å; T540-Q543 PolarHBondContact O-N 2.88Å
541P34.2Very low34Very low104 Ų104147.5 Ų147.568%0.67574%0.735SS**Hα-helixtrans-54.3-25.7-173.7-26.934.4000115Q543 Q544P541-Q543 VanDerWaalsContact C-N 3.34Å; P541-Q543 PolarHBondContact O-N 3.07Å; P541-Q544 PolarHBondContact O-N 3.43Å
542Q36.5Very low33.7Very low167 Ų167148.4 Ų148.478%0.7873%0.725SS**Hα-helixtrans-68.6-23.3175.7-79.7177.5-15.800114.7T540T540-Q542 PolarHBondContact O-N 2.97Å
543Q36.7Very low33.7Very low112 Ų112150.3 Ų150.352%0.52374%0.736SS.*Hα-helixtrans-79.9-24.9177.7-80.9176.8-19.800112.9Q539 T540 P541Q539-Q543 HydrophobicContact CB-CB 4.46Å; T540-Q543 PolarHBondContact O-N 2.88Å; P541-Q543 VanDerWaalsContact C-N 3.34Å; P541-Q543 PolarHBondContact O-N 3.07Å
544Q32.5Very low33.7Very low121 Ų121148.5 Ų148.557%0.56574%0.735SS**Hα-helixtrans-74.8-27.4178.2-79.4-176.3-18.800113.2P541P541-Q544 PolarHBondContact O-N 3.43Å
545E37.1Very low33.7Very low139 Ų139147.8 Ų147.865%0.6574%0.74SS**Hα-helixtrans-73.6-35.2174.6-84.6-170.3138.100112.7Q547 K548 Y549E545-Q547 VanDerWaalsContact C-N 3.29Å; E545-Q547 PolarHBondContact O-N 3.38Å; E545-K548 PolarHBondContact O-N 3.4Å; E545-Y549 WeakPolarHBondContact O-CD2 3.04Å
546H35.9Very low33.6Very low156 Ų156142 Ų14272%0.72274%0.737SS**Hα-helixtrans-69.8-24.9179.9-111.325.6000113.8
547Q32Very low33.5Very low140 Ų140136 Ų13665%0.65473%0.726SS**Hα-helixtrans-82.6-15.6-178.9-155.3159.83.900113.4E545 Y549E545-Q547 VanDerWaalsContact C-N 3.29Å; E545-Q547 PolarHBondContact O-N 3.38Å; Q547-Y549 VanDerWaalsContact C-N 3.33Å; Q547-Y549 PolarHBondContact O-N 3.39Å
548K35.6Very low33.4Very low183 Ų183142.2 Ų142.280%0.79674%0.738SS**THydrogen-bonded Turntrans-77.6-11.5176.2-84.1-176176.3179.40114.6E545E545-K548 PolarHBondContact O-N 3.4Å
549Y35.6Very low33.5Very low195 Ų195141.2 Ų141.277%0.76574%0.736SS**THydrogen-bonded Turntrans-108.13-173.5-72.2-79.5000115.6E545 Q547E545-Y549 WeakPolarHBondContact O-CD2 3.04Å; Q547-Y549 VanDerWaalsContact C-N 3.33Å; Q547-Y549 PolarHBondContact O-N 3.39Å
550M33.3Very low33.6Very low162 Ų162146.3 Ų146.380%0.79876%0.757SS**  trans-95.196.1172.7-74.6-167.5-135.100110.9
551V36.5Very low33.1Very low130 Ų130150.6 Ų150.679%0.78878%0.776SS**  trans-78.1128.7163.6179.90000108.2L553V551-L553 PolarHBondContact O-N 3.1Å
552P33.1Very low33.1Very low106 Ų106149.1 Ų149.169%0.68878%0.781SS**  trans-76.7123.1174.328.1-28.6000110.6Q554P552-Q554 PolarHBondContact O-N 2.85Å; P552-Q554 VanDerWaalsContact O-N 3.13Å
553L31.1Very low33Very low184 Ų184153.2 Ų153.296%0.96381%0.807SS**  trans-7097.5166.3-90.5151.1000108.9V551V551-L553 PolarHBondContact O-N 3.1Å
554Q31.5Very low32.8Very low179 Ų179155.3 Ų155.384%0.83682%0.821SS**  trans-102.2139162.7-96.7-178.9-35.400110.6P552P552-Q554 PolarHBondContact O-N 2.85Å; P552-Q554 VanDerWaalsContact O-N 3.13Å
555A33.3Very low32.8Very low106 Ų106157.1 Ų157.188%0.87683%0.834SS**  trans-39.6130.2-177.500000115.9
556S27.1Very low32.6Very low122 Ų122158.1 Ų158.185%0.85384%0.844SS**  trans-131104150.867.40000109.3
557A30.2Very low32.4Very low88 Ų88158.2 Ų158.273%0.72785%0.852SS**  trans-14099.716400000108.6
558Q29.9Very low32.4Very low199 Ų199159.4 Ų159.493%0.9386%0.864SS**  trans67.4102.8146.4-66.3179.8-67.800119.8
559E31.1Very low32.2Very low190 Ų190157.8 Ų157.889%0.88887%0.868SS**  trans-125.5118141.5-163.6176.1-147.900106.8
560K31.9Very low32Very low201 Ų201155.1 Ų155.187%0.87488%0.876SS**  trans172.6100.2152.8-98.7173.3-174-171.70111
561N29.4Very low31.9Very low178 Ų178154.6 Ų154.695%0.95288%0.882SS**  trans-153.8114.9144-96.8-10.3000106.8
562G34.1Very low31.5Very low74 Ų74156.7 Ų156.776%0.76389%0.89SS**  trans169.370.7-17700000112
563L34.9Very low31.3Very low253 Ų253161.3 Ų161.3100%1.32591%0.908SS**  trans-167.90142.5-103.4157.6000108.8

Retrieved 563 of 563 residues in 132.7 ms (Link to these results)

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