A0A087WW44_HUMAN Loading...

Fanconi anemia group C protein

DNA repair protein that may operate in a postreplication repair or a cell cycle checkpoint function. May be implicated in interstrand DNA cross-link repair and in the maintenance of normal chromosome stability. Upon IFNG induction, may facilitate STAT1 activation by recruiting STAT1 to IFNGR1.

AlphaFold DB , UniProt , Accession A0A087WW44, Species HUMAN (Homo sapiens, Human), Gene FANCC, Length 492 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.4Very low56.9Low202 Ų20290 Ų90100%0.99552%0.515SS*.  0-59.80-68.7-152.7162.500113.2D4 S5M1-D4 PolarHBondContact N-OD2 3.35Å; M1-S5 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-OG 3.45Å
2A37.8Very low59.3Low80 Ų8082.9 Ų82.966%0.66147%0.474SS*.THydrogen-bonded Turntrans-78-20.3179.100000114.9S5 V6A2-S5 WeakPolarHBondContact CA-OG 3.31Å; A2-S5 PolarHBondContact O-OG 2.75Å; A2-V6 WeakPolarHBondContact O-CG2 3.5Å
3Q36.3Very low61.3Low173 Ų17384.5 Ų84.581%0.80848%0.475SS*.THydrogen-bonded Turntrans-86.5-42.4-179.8-132155.6-7.800111.5S5 V6 D7Q3-S5 PolarHBondContact O-N 2.81Å; Q3-V6 PolarHBondContact O-N 3.14Å; Q3-D7 PolarHBondContact O-N 3.17Å
4D47.4Very low63.2Low116 Ų11684.9 Ų84.962%0.6247%0.469SS*.Hα-helixtrans-64.3-27174-42.7-61.4000112.4M1 L8M1-D4 PolarHBondContact N-OD2 3.35Å; D4-L8 PolarHBondContact O-N 2.98Å
5S49.4Very low65.1Low34 Ų3479.7 Ų79.724%0.23844%0.439CS..Hα-helixtrans-72.9-29.9178.454.90000114.4M1 A2 Q3 R63M1-S5 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-OG 3.45Å; A2-S5 WeakPolarHBondContact CA-OG 3.31Å; A2-S5 PolarHBondContact O-OG 2.75Å; Q3-S5 PolarHBondContact O-N 2.81Å; S5-R63 VanDerWaalsContact CA-NH2 3.33Å
6V52.4Low66.5Low93 Ų9376 Ų7656%0.56442%0.418SS*.Hα-helixtrans-80.6-39.2-179.4175.80000110A2 Q3 L8 S9 C10A2-V6 WeakPolarHBondContact O-CG2 3.5Å; Q3-V6 PolarHBondContact O-N 3.14Å; V6-L8 PolarHBondContact O-N 3.08Å; V6-S9 PolarHBondContact O-N 3.22Å; V6-C10 PolarHBondContact O-N 3.33Å
7D62.4Low67.8Low89 Ų8979.4 Ų79.448%0.47643%0.43SS..Hα-helixtrans-60.3-45.3178.5-15033.3000111.5Q3 S9 C10 D11Q3-D7 PolarHBondContact O-N 3.17Å; D7-S9 VanDerWaalsContact C-N 3.32Å; D7-S9 PolarHBondContact O-N 3.42Å; D7-C10 PolarHBondContact O-N 3.41Å; D7-D11 PolarHBondContact O-N 3.2Å
8L74.1Confident68.9Low13 Ų1377.3 Ų77.37%0.06842%0.417CS..Hα-helixtrans-65.5-30.9-179.8-164.966.3000113.5D4 V6 Y12 F44 K47 M48 A51 F64D4-L8 PolarHBondContact O-N 2.98Å; V6-L8 PolarHBondContact O-N 3.08Å; L8-Y12 WeakPolarHBondContact O-CB 3.38Å; L8-Y12 PolarHBondContact O-N 3.21Å; L8-F44 HydrophobicContact CD1-CD2 4.22Å; L8-F44 HydrophobicContact CD1-CE2 4.18Å; L8-K47 HydrophobicContact CD1-CB 3.76Å; L8-M48 HydrophobicContact CD1-CG 4.13Å; L8-M48 HydrophobicContact CD1-SD 3.71Å; L8-M48 HydrophobicContact CD2-SD 3.83Å; L8-M48 HydrophobicContact CG-SD 3.71Å; L8-A51 HydrophobicContact CD2-CB 3.69Å; L8-F64 HydrophobicContact CD2-CZ 3.86Å; L8-F64 HydrophobicContact CG-CZ 4.32Å
9S71.7Confident69.8Low61 Ų6173.4 Ų73.443%0.42740%0.395SS..Hα-helixtrans-74.8-34.8179-173.90000112.4V6 D7 Q13V6-S9 PolarHBondContact O-N 3.22Å; D7-S9 VanDerWaalsContact C-N 3.32Å; D7-S9 PolarHBondContact O-N 3.42Å; S9-Q13 PolarHBondContact O-N 2.75Å
10C74.1Confident70.6Confident84 Ų8472.3 Ų72.357%0.56839%0.394SS*.Hα-helixtrans-70.5-45.2174.1-72.60000110.7V6 D7 Y12 Q13 F14V6-C10 PolarHBondContact O-N 3.33Å; D7-C10 PolarHBondContact O-N 3.41Å; C10-Y12 VanDerWaalsContact C-N 3.29Å; C10-Y12 PolarHBondContact O-N 2.86Å; C10-Q13 PolarHBondContact O-N 3.23Å; C10-F14 PolarHBondContact O-N 2.75Å; C10-F14 VanDerWaalsContact O-N 3.16Å
11D82.2Confident71.2Confident45 Ų4572.7 Ų72.724%0.24140%0.398CS..Hα-helixtrans-59.7-40.3174.4-74.9-13.8000111.7D7 Q13 F14 W15 F44D7-D11 PolarHBondContact O-N 3.2Å; D11-Q13 PolarHBondContact O-N 3.17Å; D11-F14 WeakPolarHBondContact O-CB 3.19Å; D11-F14 PolarHBondContact O-N 3.2Å; D11-W15 PolarHBondContact O-N 3.35Å; D11-F44 HydrophobicContact CB-CD2 3.78Å; D11-F44 HydrophobicContact CB-CE2 4.05Å
12Y85.3Confident73.1Confident5 Ų563.1 Ų63.12%0.0235%0.351CS..Hα-helixtrans-58.7-46178.6-179.3-89.4000112.6L8 C10 W15 M16 F44 M48 F64 T66 I67 L70L8-Y12 WeakPolarHBondContact O-CB 3.38Å; L8-Y12 PolarHBondContact O-N 3.21Å; C10-Y12 VanDerWaalsContact C-N 3.29Å; C10-Y12 PolarHBondContact O-N 2.86Å; Y12-W15 PolarHBondContact O-N 2.8Å; Y12-M16 HydrophobicContact CD1-CG 4.26Å; Y12-M16 HydrophobicContact CE1-CG 3.85Å; Y12-M16 WeakPolarHBondContact O-CB 3.19Å; Y12-M16 WeakPolarHBondContact O-CG 3.25Å; Y12-M16 PolarHBondContact O-N 3.16Å; Y12-F44 HydrophobicContact CD2-CZ 4.09Å; Y12-M48 HydrophobicContact CD2-CE 4.14Å; Y12-M48 HydrophobicContact CD2-SD 4.24Å; Y12-M48 HydrophobicContact CE2-CE 4.39Å; Y12-F64 HydrophobicContact CD1-CD1 4.41Å; Y12-F64 AromaticContact CD2-CD1 3.58Å; Y12-F64 HydrophobicContact CD2-CD1 3.58Å; Y12-F64 HydrophobicContact CD2-CE1 4.05Å; Y12-F64 HydrophobicContact CD2-CG 4.48Å; Y12-F64 HydrophobicContact CE2-CB 4.13Å; Y12-F64 AromaticContact CE2-CD1 3.77Å; Y12-F64 HydrophobicContact CE2-CD1 3.77Å; Y12-F64 HydrophobicContact CE2-CG 4.29Å; Y12-F64 AromaticContact CG-CD1 3.94Å; Y12-F64 HydrophobicContact CG-CD1 3.94Å; Y12-F64 HydrophobicContact CG-CE1 4.27Å; Y12-T66 WeakPolarHBondContact OH-CA 3.39Å; Y12-T66 PolarHBondContact OH-O 2.71Å; Y12-T66 PolarHBondContact OH-OG1 2.73Å; Y12-I67 HydrophobicContact CE2-CD1 4.06Å; Y12-I67 WeakPolarHBondContact OH-CA 3.35Å; Y12-I67 PolarHBondContact OH-N 3.41Å; Y12-L70 HydrophobicContact CD2-CD1 3.82Å; Y12-L70 HydrophobicContact CE2-CB 4.49Å; Y12-L70 HydrophobicContact CE2-CD1 3.6Å
13Q84.9Confident74.3Confident104 Ų10463.6 Ų63.649%0.48634%0.342SS..Hα-helixtrans-67.4-39.7178.5-69-63.5-27.200111.8S9 C10 D11 M16 Q17S9-Q13 PolarHBondContact O-N 2.75Å; C10-Q13 PolarHBondContact O-N 3.23Å; D11-Q13 PolarHBondContact O-N 3.17Å; Q13-M16 PolarHBondContact O-N 3.47Å; Q13-Q17 WeakPolarHBondContact O-CG 3.49Å; Q13-Q17 PolarHBondContact O-N 3.24Å; Q13-Q17 VanDerWaalsContact O-N 3.16Å
14F88.6Confident75.2Confident89 Ų8962.2 Ų62.239%0.3934%0.336SS..Hα-helixtrans-58.6-50.4174.9171.8-96.7000111.6C10 D11 M16 Q17 K18C10-F14 PolarHBondContact O-N 2.75Å; C10-F14 VanDerWaalsContact O-N 3.16Å; D11-F14 WeakPolarHBondContact O-CB 3.19Å; D11-F14 PolarHBondContact O-N 3.2Å; F14-M16 PolarHBondContact O-N 2.95Å; F14-Q17 PolarHBondContact O-N 3.41Å; F14-K18 HydrophobicContact CE1-CG 4Å; F14-K18 HydrophobicContact CE2-CG 4.22Å; F14-K18 HydrophobicContact CZ-CG 3.83Å; F14-K18 PolarHBondContact O-N 2.91Å
15W91.3Very high75.4Confident8 Ų857.7 Ų57.73%0.0332%0.315CS..Hα-helixtrans-69.1-33.6-178.9-71.3116.8000113.3D11 Y12 Q17 K18 L19 W22 H37 Q40 F41 F44D11-W15 PolarHBondContact O-N 3.35Å; Y12-W15 PolarHBondContact O-N 2.8Å; W15-Q17 VanDerWaalsContact C-N 3.33Å; W15-Q17 PolarHBondContact O-N 3.42Å; W15-K18 HydrophobicContact CE3-CB 4.07Å; W15-K18 HydrophobicContact CE3-CG 4.45Å; W15-K18 HydrophobicContact CZ3-CB 4.49Å; W15-K18 PolarHBondContact O-N 3.07Å; W15-L19 VanDerWaalsContact O-CB 3.3Å; W15-L19 WeakPolarHBondContact O-CB 3.3Å; W15-L19 VanDerWaalsContact O-CG 3.29Å; W15-L19 WeakPolarHBondContact O-CG 3.42Å; W15-L19 PolarHBondContact O-N 3.36Å; W15-W22 HydrophobicContact CE3-CH2 4.29Å; W15-W22 AromaticContact CZ3-CH2 3.64Å; W15-W22 HydrophobicContact CZ3-CH2 3.64Å; W15-W22 HydrophobicContact CZ3-CZ2 4.32Å; W15-W22 HydrophobicContact CZ3-CZ3 4.29Å; W15-H37 HydrophobicContact CH2-CB 4.04Å; W15-H37 HydrophobicContact CZ3-CB 4.17Å; W15-Q40 HydrophobicContact CH2-CB 3.96Å; W15-Q40 VanDerWaalsContact CZ2-C 3.49Å; W15-Q40 HydrophobicContact CZ2-CB 3.8Å; W15-F41 HydrophobicContact CB-CD2 4.3Å; W15-F41 HydrophobicContact CB-CE2 4.14Å; W15-F41 HydrophobicContact CD2-CB 4.46Å; W15-F41 AromaticContact CD2-CD2 3.48Å; W15-F41 HydrophobicContact CD2-CD2 3.48Å; W15-F41 VanDerWaalsContact CD2-CD2 3.48Å; W15-F41 HydrophobicContact CD2-CE2 4.21Å; W15-F41 HydrophobicContact CD2-CG 4.41Å; W15-F41 HydrophobicContact CE3-CB 4.12Å; W15-F41 AromaticContact CE3-CD2 3.46Å; W15-F41 HydrophobicContact CE3-CD2 3.46Å; W15-F41 VanDerWaalsContact CE3-CD2 3.46Å; W15-F41 HydrophobicContact CE3-CE2 4.25Å; W15-F41 HydrophobicContact CE3-CG 4.13Å; W15-F41 AromaticContact CG-CD2 3.85Å; W15-F41 HydrophobicContact CG-CD2 3.85Å; W15-F41 HydrophobicContact CG-CE2 4.17Å; W15-F41 HydrophobicContact CH2-CB 3.67Å; W15-F41 HydrophobicContact CH2-CD2 4.46Å; W15-F41 HydrophobicContact CZ2-CB 4.02Å; W15-F41 HydrophobicContact CZ2-CD2 4.47Å; W15-F41 HydrophobicContact CZ3-CB 3.74Å; W15-F41 AromaticContact CZ3-CD2 3.99Å; W15-F41 HydrophobicContact CZ3-CD2 3.99Å; W15-F41 HydrophobicContact CZ3-CG 4.21Å; W15-F44 HydrophobicContact CB-CD1 4.2Å; W15-F44 HydrophobicContact CB-CE1 3.94Å; W15-F44 HydrophobicContact CB-CZ 4.29Å; W15-F44 AromaticContact CD1-CD1 3.36Å; W15-F44 AromaticContact CD1-CD2 3.42Å; W15-F44 VanDerWaalsContact CD1-CD2 3.42Å; W15-F44 AromaticContact CD1-CE1 3.78Å; W15-F44 AromaticContact CD1-CE2 3.83Å; W15-F44 AromaticContact CD1-CG 3.14Å; W15-F44 AromaticContact CD1-CZ 3.99Å; W15-F44 AromaticContact CG-CD1 3.78Å; W15-F44 HydrophobicContact CG-CD1 3.78Å; W15-F44 HydrophobicContact CG-CD2 4.49Å; W15-F44 HydrophobicContact CG-CE1 4.02Å; W15-F44 HydrophobicContact CG-CG 4.02Å; W15-F44 HydrophobicContact CG-CZ 4.46Å; W15-F44 VanDerWaalsContact NE1-CB 3.28Å; W15-F44 AromaticContact NE1-CD1 3.89Å; W15-F44 AromaticContact NE1-CD2 3.87Å; W15-F44 AromaticContact NE1-CG 3.39Å
16M88.4Confident75.6Confident20 Ų2061.3 Ų61.310%0.09934%0.34CS..Hα-helixtrans-60.2-42171.9-81.4-57.9-7100112.7Y12 Q13 F14 S20 Q69 L70Y12-M16 HydrophobicContact CD1-CG 4.26Å; Y12-M16 HydrophobicContact CE1-CG 3.85Å; Y12-M16 WeakPolarHBondContact O-CB 3.19Å; Y12-M16 WeakPolarHBondContact O-CG 3.25Å; Y12-M16 PolarHBondContact O-N 3.16Å; Q13-M16 PolarHBondContact O-N 3.47Å; F14-M16 PolarHBondContact O-N 2.95Å; M16-S20 PolarHBondContact O-N 3.21Å; M16-S20 VanDerWaalsContact O-N 3.16Å; M16-S20 PolarHBondContact O-OG 3.27Å; M16-Q69 HydrophobicContact CE-CB 4.11Å; M16-L70 HydrophobicContact CG-CD1 3.95Å; M16-L70 VanDerWaalsContact SD-CA 3.51Å; M16-L70 HydrophobicContact SD-CB 3.36Å; M16-L70 WeakPolarHBondContact SD-CB 3.43Å; M16-L70 HydrophobicContact SD-CD1 3.73Å; M16-L70 HydrophobicContact SD-CG 3.76Å
17Q87.3Confident76Confident134 Ų13460.1 Ų60.163%0.62633%0.333SS*.Hα-helixtrans-68.4-46.6176.5-70.11786.300111Q13 F14 W15 L19 S20 V21Q13-Q17 WeakPolarHBondContact O-CG 3.49Å; Q13-Q17 PolarHBondContact O-N 3.24Å; Q13-Q17 VanDerWaalsContact O-N 3.16Å; F14-Q17 PolarHBondContact O-N 3.41Å; W15-Q17 VanDerWaalsContact C-N 3.33Å; W15-Q17 PolarHBondContact O-N 3.42Å; Q17-L19 PolarHBondContact O-N 2.85Å; Q17-S20 WeakPolarHBondContact O-CB 3.24Å; Q17-S20 PolarHBondContact O-N 3.13Å; Q17-S20 VanDerWaalsContact O-N 3.12Å; Q17-V21 PolarHBondContact O-N 3.1Å
18K87.4Confident75.5Confident42 Ų4261.4 Ų61.418%0.18334%0.339CS..Hα-helixtrans-57.9-48176.4-87.5-69.7-161.1173.20112.5F14 W15 S20 V21 W22 D33F14-K18 HydrophobicContact CE1-CG 4Å; F14-K18 HydrophobicContact CE2-CG 4.22Å; F14-K18 HydrophobicContact CZ-CG 3.83Å; F14-K18 PolarHBondContact O-N 2.91Å; W15-K18 HydrophobicContact CE3-CB 4.07Å; W15-K18 HydrophobicContact CE3-CG 4.45Å; W15-K18 HydrophobicContact CZ3-CB 4.49Å; W15-K18 PolarHBondContact O-N 3.07Å; K18-S20 PolarHBondContact O-N 3.02Å; K18-V21 WeakPolarHBondContact O-CB 3.41Å; K18-V21 PolarHBondContact O-N 3.38Å; K18-W22 HydrophobicContact CD-CZ2 4.31Å; K18-W22 VanDerWaalsContact O-CG 3.31Å; K18-W22 PolarHBondContact O-N 3.39Å; K18-D33 VanDerWaalsContact NZ-CG 3.27Å; K18-D33 IonicContact NZ-OD1 3.57Å; K18-D33 PolarHBondContact NZ-OD1 3.44Å; K18-D33 IonicContact NZ-OD2 2.81Å; K18-D33 PolarHBondContact NZ-OD2 3.26Å
19L87.3Confident75Confident2 Ų268.4 Ų68.41%0.0137%0.372CS..Hα-helixtrans-62.2-30.1176.9-75.5165.2000112.6W15 Q17 V21 W22 D23 F41 L70 K73 A74 I80W15-L19 VanDerWaalsContact O-CB 3.3Å; W15-L19 WeakPolarHBondContact O-CB 3.3Å; W15-L19 VanDerWaalsContact O-CG 3.29Å; W15-L19 WeakPolarHBondContact O-CG 3.42Å; W15-L19 PolarHBondContact O-N 3.36Å; Q17-L19 PolarHBondContact O-N 2.85Å; L19-V21 VanDerWaalsContact C-N 3.34Å; L19-W22 HydrophobicContact CD2-CE3 3.83Å; L19-W22 HydrophobicContact CD2-CZ3 4.27Å; L19-W22 HydrophobicContact CG-CE3 4.43Å; L19-W22 CarbonylContact O-C 3.6Å; L19-W22 PolarHBondContact O-N 3.41Å; L19-D23 PolarHBondContact O-N 3.27Å; L19-F41 HydrophobicContact CD1-CE2 3.95Å; L19-F41 HydrophobicContact CD1-CZ 3.87Å; L19-F41 HydrophobicContact CD2-CE1 4.49Å; L19-F41 HydrophobicContact CD2-CZ 4.09Å; L19-F41 HydrophobicContact CG-CE2 4.41Å; L19-F41 HydrophobicContact CG-CZ 4.36Å; L19-L70 HydrophobicContact CD1-CD1 4.5Å; L19-L70 HydrophobicContact CD1-CD2 4.32Å; L19-L70 HydrophobicContact CD1-CG 3.81Å; L19-K73 HydrophobicContact CB-CB 4.16Å; L19-K73 HydrophobicContact CB-CD 4.39Å; L19-A74 HydrophobicContact CD2-CB 4.23Å; L19-I80 HydrophobicContact CD2-CD1 3.59Å
20S85.4Confident74.7Confident52 Ų5266.4 Ų66.436%0.36436%0.357SS..Hα-helixtrans-71-31.2175.5-59.80000112.5M16 Q17 K18M16-S20 PolarHBondContact O-N 3.21Å; M16-S20 VanDerWaalsContact O-N 3.16Å; M16-S20 PolarHBondContact O-OG 3.27Å; Q17-S20 WeakPolarHBondContact O-CB 3.24Å; Q17-S20 PolarHBondContact O-N 3.13Å; Q17-S20 VanDerWaalsContact O-N 3.12Å; K18-S20 PolarHBondContact O-N 3.02Å
21V82.4Confident73.8Confident80 Ų8065 Ų6549%0.48534%0.342SS..Hα-helixtrans-72.2-41170.5178.30000110.4Q17 K18 L19 D23 Q24 T30Q17-V21 PolarHBondContact O-N 3.1Å; K18-V21 WeakPolarHBondContact O-CB 3.41Å; K18-V21 PolarHBondContact O-N 3.38Å; L19-V21 VanDerWaalsContact C-N 3.34Å; V21-D23 VanDerWaalsContact C-N 3.29Å; V21-D23 PolarHBondContact O-N 2.98Å; V21-Q24 PolarHBondContact O-N 3.49Å; V21-T30 HydrophobicContact CG1-CG2 4.38Å
22W78.2Confident72.8Confident1 Ų168.8 Ų68.80%0.00436%0.358CS..Hα-helixtrans-73.7-16178.6-59.6-16.4000114.2W15 K18 L19 Q24 A25 D33 T34 H37 N77 I80W15-W22 HydrophobicContact CE3-CH2 4.29Å; W15-W22 AromaticContact CZ3-CH2 3.64Å; W15-W22 HydrophobicContact CZ3-CH2 3.64Å; W15-W22 HydrophobicContact CZ3-CZ2 4.32Å; W15-W22 HydrophobicContact CZ3-CZ3 4.29Å; K18-W22 HydrophobicContact CD-CZ2 4.31Å; K18-W22 VanDerWaalsContact O-CG 3.31Å; K18-W22 PolarHBondContact O-N 3.39Å; L19-W22 HydrophobicContact CD2-CE3 3.83Å; L19-W22 HydrophobicContact CD2-CZ3 4.27Å; L19-W22 HydrophobicContact CG-CE3 4.43Å; L19-W22 CarbonylContact O-C 3.6Å; L19-W22 PolarHBondContact O-N 3.41Å; W22-Q24 PolarHBondContact O-N 2.87Å; W22-Q24 VanDerWaalsContact O-N 3.15Å; W22-A25 WeakPolarHBondContact O-CB 3.29Å; W22-A25 PolarHBondContact O-N 2.87Å; W22-D33 PolarHBondContact NE1-OD2 3.18Å; W22-T34 HydrophobicContact CD2-CG2 4.26Å; W22-T34 HydrophobicContact CE3-CG2 4.14Å; W22-T34 HydrophobicContact CZ3-CG2 4.27Å; W22-H37 HydrophobicContact CH2-CB 3.86Å; W22-H37 HydrophobicContact CZ2-CB 3.76Å; W22-N77 PolarHBondContact O-ND2 3.34Å; W22-I80 HydrophobicContact CE3-CD1 3.88Å; W22-I80 HydrophobicContact CZ3-CD1 3.95Å
23D64.4Low72.1Confident91 Ų9170.7 Ų70.749%0.48737%0.369SS..THydrogen-bonded Turntrans-61.7-18.6171.8-145.415.1000111.4L19 V21 K73L19-D23 PolarHBondContact O-N 3.27Å; V21-D23 VanDerWaalsContact C-N 3.29Å; V21-D23 PolarHBondContact O-N 2.98Å; D23-K73 IonicContact OD2-NZ 2.86Å; D23-K73 PolarHBondContact OD2-NZ 3.17Å
24Q54.8Low71.1Confident144 Ų14465.8 Ų65.867%0.67335%0.346SS*.THydrogen-bonded Turntrans-97.130.1173.7-55.9-177.84.200112.8V21 W22 S26V21-Q24 PolarHBondContact O-N 3.49Å; W22-Q24 PolarHBondContact O-N 2.87Å; W22-Q24 VanDerWaalsContact O-N 3.15Å; Q24-S26 PolarHBondContact O-N 3.38Å
25A52.1Low69.6Low21 Ų2164.3 Ų64.317%0.17435%0.346CS..THydrogen-bonded Turntrans-62.926.3-172.900000117.4W22 T30 Q31W22-A25 WeakPolarHBondContact O-CB 3.29Å; W22-A25 PolarHBondContact O-N 2.87Å; A25-T30 WeakPolarHBondContact CA-OG1 3.15Å; A25-Q31 PolarHBondContact O-NE2 2.82Å
26S53.8Low68.7Low110 Ų11070 Ų7077%0.76938%0.376SS*.THydrogen-bonded Turntrans-83.1-11.3171.758.20000113.6Q24Q24-S26 PolarHBondContact O-N 3.38Å
27T60.8Low68.1Low67 Ų6770.5 Ų70.541%0.41138%0.378SS..SBendtrans-100.6143.3-178.364.90000112.5E29 T30 Q31T27-E29 VanDerWaalsContact C-N 3.25Å; T27-E29 PolarHBondContact O-N 3.08Å; T27-T30 PolarHBondContact O-N 3.5Å; T27-T30 PolarHBondContact O-OG1 3.31Å; T27-T30 VanDerWaalsContact OG1-CG2 3.28Å; T27-T30 WeakPolarHBondContact OG1-CG2 3.47Å; T27-T30 PolarHBondContact OG1-OG1 3.04Å; T27-Q31 WeakPolarHBondContact O-CG 3.44Å; T27-Q31 PolarHBondContact O-N 3.29Å
28L51.2Low67.6Low117 Ų11764.5 Ų64.561%0.61335%0.351SS*.Hα-helixtrans-58.5-35.5-178.6-17567.2000113.1Q31 Q32L28-Q31 PolarHBondContact O-N 3.27Å; L28-Q32 WeakPolarHBondContact O-CG 3.5Å; L28-Q32 PolarHBondContact O-N 3.29Å; L28-Q32 VanDerWaalsContact O-N 3.11Å
29E63.9Low66.8Low160 Ų16065.5 Ų65.575%0.74837%0.367SS*.Hα-helixtrans-64.8-40.7179.5-65.9175.3177.700112.2T27 D33T27-E29 VanDerWaalsContact C-N 3.25Å; T27-E29 PolarHBondContact O-N 3.08Å; E29-D33 WeakPolarHBondContact O-CB 3.43Å; E29-D33 PolarHBondContact O-N 2.86Å
30T63.9Low66.6Low19 Ų1971 Ų7112%0.11739%0.392CS..Hα-helixtrans-72.4-30.7178.854.60000112.2V21 A25 T27 T34V21-T30 HydrophobicContact CG1-CG2 4.38Å; A25-T30 WeakPolarHBondContact CA-OG1 3.15Å; T27-T30 PolarHBondContact O-N 3.5Å; T27-T30 PolarHBondContact O-OG1 3.31Å; T27-T30 VanDerWaalsContact OG1-CG2 3.28Å; T27-T30 WeakPolarHBondContact OG1-CG2 3.47Å; T27-T30 PolarHBondContact OG1-OG1 3.04Å; T30-T34 WeakPolarHBondContact O-CB 3.33Å; T30-T34 PolarHBondContact O-N 3.39Å; T30-T34 PolarHBondContact O-OG1 3.18Å
31Q56.9Low66.6Low55 Ų5568.5 Ų68.526%0.25738%0.375SS..Hα-helixtrans-68-44.3174.6-62.8176.8-2.700111.7A25 T27 L28 T34 C35 F79A25-Q31 PolarHBondContact O-NE2 2.82Å; T27-Q31 WeakPolarHBondContact O-CG 3.44Å; T27-Q31 PolarHBondContact O-N 3.29Å; L28-Q31 PolarHBondContact O-N 3.27Å; Q31-T34 PolarHBondContact O-N 2.67Å; Q31-C35 PolarHBondContact O-N 3.26Å; Q31-C35 PolarHBondContact O-SG 3.3Å; Q31-F79 HydrophobicContact CB-CE1 4.26Å; Q31-F79 HydrophobicContact CB-CE2 4.33Å; Q31-F79 HydrophobicContact CB-CZ 4.08Å; Q31-F79 HydrophobicContact CG-CD2 4.21Å; Q31-F79 HydrophobicContact CG-CE1 4.14Å; Q31-F79 HydrophobicContact CG-CE2 3.5Å; Q31-F79 HydrophobicContact CG-CZ 3.46Å; Q31-F79 VanDerWaalsContact CG-CZ 3.46Å
32Q60.7Low66.6Low124 Ų12466.2 Ų66.258%0.57936%0.359SS*.Hα-helixtrans-65-42.5175.9-71.5178.4-8.400111.9L28 T34 C35 L36L28-Q32 WeakPolarHBondContact O-CG 3.5Å; L28-Q32 PolarHBondContact O-N 3.29Å; L28-Q32 VanDerWaalsContact O-N 3.11Å; Q32-T34 VanDerWaalsContact C-N 3.32Å; Q32-T34 PolarHBondContact O-N 3.47Å; Q32-C35 PolarHBondContact O-N 3.46Å; Q32-L36 WeakPolarHBondContact O-CB 3.4Å; Q32-L36 PolarHBondContact O-N 3.02Å
33D69.8Low66.9Low45 Ų4570.1 Ų70.124%0.24138%0.377CS..Hα-helixtrans-62-39.4175.4-173.169.5000111.8K18 W22 E29 L36 H37K18-D33 VanDerWaalsContact NZ-CG 3.27Å; K18-D33 IonicContact NZ-OD1 3.57Å; K18-D33 PolarHBondContact NZ-OD1 3.44Å; K18-D33 IonicContact NZ-OD2 2.81Å; K18-D33 PolarHBondContact NZ-OD2 3.26Å; W22-D33 PolarHBondContact NE1-OD2 3.18Å; E29-D33 WeakPolarHBondContact O-CB 3.43Å; E29-D33 PolarHBondContact O-N 2.86Å; D33-L36 PolarHBondContact O-N 3.35Å; D33-H37 PolarHBondContact O-N 3.4Å; D33-H37 PolarHBondContact O-ND1 3.35Å; D33-H37 IonicContact OD1-CE1 2.77Å; D33-H37 PolarHBondContact OD1-CE1 2.86Å; D33-H37 IonicContact OD1-ND1 2.75Å; D33-H37 PolarHBondContact OD1-ND1 2.7Å; D33-H37 IonicContact OD2-ND1 3.49Å
34T63.7Low68.3Low1 Ų166 Ų661%0.00636%0.355CS..Hα-helixtrans-62.5-48.6176-55.50000111.3W22 T30 Q31 Q32 L36 H37 V38 F79 I80W22-T34 HydrophobicContact CD2-CG2 4.26Å; W22-T34 HydrophobicContact CE3-CG2 4.14Å; W22-T34 HydrophobicContact CZ3-CG2 4.27Å; T30-T34 WeakPolarHBondContact O-CB 3.33Å; T30-T34 PolarHBondContact O-N 3.39Å; T30-T34 PolarHBondContact O-OG1 3.18Å; Q31-T34 PolarHBondContact O-N 2.67Å; Q32-T34 VanDerWaalsContact C-N 3.32Å; Q32-T34 PolarHBondContact O-N 3.47Å; T34-L36 VanDerWaalsContact C-N 3.31Å; T34-L36 PolarHBondContact O-N 3.48Å; T34-H37 PolarHBondContact O-N 2.95Å; T34-V38 WeakPolarHBondContact O-CB 3.45Å; T34-V38 PolarHBondContact O-N 3.4Å; T34-F79 HydrophobicContact CG2-CB 3.84Å; T34-I80 HydrophobicContact CG2-CG1 4Å
35C58.7Low69.8Low57 Ų5759.1 Ų59.139%0.38532%0.323SS..Hα-helixtrans-63.1-34.9178.7-70.90000112.9Q31 Q32 V38Q31-C35 PolarHBondContact O-N 3.26Å; Q31-C35 PolarHBondContact O-SG 3.3Å; Q32-C35 PolarHBondContact O-N 3.46Å; C35-V38 WeakPolarHBondContact O-CG1 3.42Å
36L70.7Confident71.3Confident129 Ų12962.7 Ų62.768%0.67533%0.332SS*.Hα-helixtrans-69.4-34.8179-172.7134000112.5Q32 D33 T34Q32-L36 WeakPolarHBondContact O-CB 3.4Å; Q32-L36 PolarHBondContact O-N 3.02Å; D33-L36 PolarHBondContact O-N 3.35Å; T34-L36 VanDerWaalsContact C-N 3.31Å; T34-L36 PolarHBondContact O-N 3.48Å
37H77.3Confident72.9Confident29 Ų2961.4 Ų61.413%0.13431%0.313CS..Hα-helixtrans-100-5-174.3-6689.1000114W15 W22 D33 T34 A39 Q40 F41W15-H37 HydrophobicContact CH2-CB 4.04Å; W15-H37 HydrophobicContact CZ3-CB 4.17Å; W22-H37 HydrophobicContact CH2-CB 3.86Å; W22-H37 HydrophobicContact CZ2-CB 3.76Å; D33-H37 PolarHBondContact O-N 3.4Å; D33-H37 PolarHBondContact O-ND1 3.35Å; D33-H37 IonicContact OD1-CE1 2.77Å; D33-H37 PolarHBondContact OD1-CE1 2.86Å; D33-H37 IonicContact OD1-ND1 2.75Å; D33-H37 PolarHBondContact OD1-ND1 2.7Å; D33-H37 IonicContact OD2-ND1 3.49Å; T34-H37 PolarHBondContact O-N 2.95Å; H37-A39 VanDerWaalsContact C-N 3.31Å; H37-A39 PolarHBondContact O-N 3.4Å; H37-Q40 PolarHBondContact O-N 3.28Å; H37-Q40 VanDerWaalsContact O-N 3.14Å; H37-F41 PolarHBondContact O-N 2.8Å
38V75.3Confident74Confident9 Ų958.3 Ų58.36%0.05529%0.294CS..Hα-helixtrans-58.2-38.8-17474.70000113.3T34 C35 Q40 F41 Q42 Y83T34-V38 WeakPolarHBondContact O-CB 3.45Å; T34-V38 PolarHBondContact O-N 3.4Å; C35-V38 WeakPolarHBondContact O-CG1 3.42Å; V38-Q40 PolarHBondContact O-N 3.3Å; V38-F41 WeakPolarHBondContact O-CB 3.14Å; V38-F41 PolarHBondContact O-N 3.42Å; V38-Q42 WeakPolarHBondContact O-CG 3.32Å; V38-Q42 PolarHBondContact O-N 3.1Å; V38-Y83 HydrophobicContact CB-CE2 4.41Å; V38-Y83 HydrophobicContact CG1-CD2 4.45Å; V38-Y83 HydrophobicContact CG1-CE1 4.24Å; V38-Y83 HydrophobicContact CG1-CE2 4.05Å; V38-Y83 HydrophobicContact CG2-CD2 3.81Å; V38-Y83 HydrophobicContact CG2-CE2 4.05Å; V38-Y83 HydrophobicContact CG2-CG 4.28Å
39A71.1Confident75.5Confident63 Ų6355.1 Ų55.152%0.52127%0.274SS..Hα-helixtrans-67.3-37.9179.800000112.3H37 F41 Q42 E43H37-A39 VanDerWaalsContact C-N 3.31Å; H37-A39 PolarHBondContact O-N 3.4Å; A39-F41 VanDerWaalsContact C-N 3.35Å; A39-Q42 PolarHBondContact O-N 3.32Å; A39-E43 PolarHBondContact O-N 3.06Å
40Q82.8Confident76.4Confident117 Ų11752.3 Ų52.355%0.54726%0.26SS..Hα-helixtrans-70.4-36.2175.1-64.4174.5-6.200110.8W15 H37 V38 E43 F44W15-Q40 HydrophobicContact CH2-CB 3.96Å; W15-Q40 VanDerWaalsContact CZ2-C 3.49Å; W15-Q40 HydrophobicContact CZ2-CB 3.8Å; H37-Q40 PolarHBondContact O-N 3.28Å; H37-Q40 VanDerWaalsContact O-N 3.14Å; V38-Q40 PolarHBondContact O-N 3.3Å; Q40-E43 PolarHBondContact O-N 3.12Å; Q40-F44 PolarHBondContact O-N 3.01Å; Q40-F44 VanDerWaalsContact O-N 3.09Å
41F86.3Confident77.2Confident0 Ų052.1 Ų52.10%026%0.261CS..Hα-helixtrans-66.1-38.7174.9-175-121.3000112.1W15 L19 H37 V38 A39 E43 F44 L45 A74 I80W15-F41 HydrophobicContact CB-CD2 4.3Å; W15-F41 HydrophobicContact CB-CE2 4.14Å; W15-F41 HydrophobicContact CD2-CB 4.46Å; W15-F41 AromaticContact CD2-CD2 3.48Å; W15-F41 HydrophobicContact CD2-CD2 3.48Å; W15-F41 VanDerWaalsContact CD2-CD2 3.48Å; W15-F41 HydrophobicContact CD2-CE2 4.21Å; W15-F41 HydrophobicContact CD2-CG 4.41Å; W15-F41 HydrophobicContact CE3-CB 4.12Å; W15-F41 AromaticContact CE3-CD2 3.46Å; W15-F41 HydrophobicContact CE3-CD2 3.46Å; W15-F41 VanDerWaalsContact CE3-CD2 3.46Å; W15-F41 HydrophobicContact CE3-CE2 4.25Å; W15-F41 HydrophobicContact CE3-CG 4.13Å; W15-F41 AromaticContact CG-CD2 3.85Å; W15-F41 HydrophobicContact CG-CD2 3.85Å; W15-F41 HydrophobicContact CG-CE2 4.17Å; W15-F41 HydrophobicContact CH2-CB 3.67Å; W15-F41 HydrophobicContact CH2-CD2 4.46Å; W15-F41 HydrophobicContact CZ2-CB 4.02Å; W15-F41 HydrophobicContact CZ2-CD2 4.47Å; W15-F41 HydrophobicContact CZ3-CB 3.74Å; W15-F41 AromaticContact CZ3-CD2 3.99Å; W15-F41 HydrophobicContact CZ3-CD2 3.99Å; W15-F41 HydrophobicContact CZ3-CG 4.21Å; L19-F41 HydrophobicContact CD1-CE2 3.95Å; L19-F41 HydrophobicContact CD1-CZ 3.87Å; L19-F41 HydrophobicContact CD2-CE1 4.49Å; L19-F41 HydrophobicContact CD2-CZ 4.09Å; L19-F41 HydrophobicContact CG-CE2 4.41Å; L19-F41 HydrophobicContact CG-CZ 4.36Å; H37-F41 PolarHBondContact O-N 2.8Å; V38-F41 WeakPolarHBondContact O-CB 3.14Å; V38-F41 PolarHBondContact O-N 3.42Å; A39-F41 VanDerWaalsContact C-N 3.35Å; F41-E43 PolarHBondContact O-N 2.85Å; F41-F44 AromaticContact CD2-CD1 3.89Å; F41-F44 HydrophobicContact CD2-CD1 3.89Å; F41-F44 AromaticContact CE2-CD1 3.81Å; F41-F44 HydrophobicContact CE2-CD1 3.81Å; F41-F44 HydrophobicContact CE2-CE1 4.06Å; F41-F44 WeakPolarHBondContact O-CB 3.33Å; F41-F44 PolarHBondContact O-N 3.02Å; F41-L45 HydrophobicContact CD1-CD1 3.86Å; F41-L45 HydrophobicContact CD1-CG 4.26Å; F41-L45 HydrophobicContact CE1-CD1 3.49Å; F41-L45 VanDerWaalsContact CE1-CD1 3.49Å; F41-L45 HydrophobicContact CE1-CD2 4.27Å; F41-L45 HydrophobicContact CE1-CG 3.91Å; F41-L45 HydrophobicContact CE2-CD2 4.23Å; F41-L45 HydrophobicContact CE2-CG 4.18Å; F41-L45 HydrophobicContact CZ-CD1 3.93Å; F41-L45 HydrophobicContact CZ-CD2 3.82Å; F41-L45 HydrophobicContact CZ-CG 3.87Å; F41-L45 WeakPolarHBondContact O-CG 3.29Å; F41-L45 PolarHBondContact O-N 3.03Å; F41-A74 HydrophobicContact CE1-CB 4.08Å; F41-A74 HydrophobicContact CZ-CB 3.95Å; F41-I80 HydrophobicContact CD1-CD1 4.2Å; F41-I80 HydrophobicContact CD1-CG2 4.3Å; F41-I80 HydrophobicContact CE1-CD1 3.85Å; F41-I80 HydrophobicContact CE1-CG2 4Å
42Q81.8Confident78.3Confident32 Ų3249.7 Ų49.715%0.1525%0.25CC..Hα-helixtrans-61.4-42.1174.2-76.3171.8-12.100112.3V38 A39 F44 L45 R46 S86V38-Q42 WeakPolarHBondContact O-CG 3.32Å; V38-Q42 PolarHBondContact O-N 3.1Å; A39-Q42 PolarHBondContact O-N 3.32Å; Q42-F44 VanDerWaalsContact C-N 3.34Å; Q42-L45 PolarHBondContact O-N 3.46Å; Q42-R46 WeakPolarHBondContact O-CB 3.5Å; Q42-R46 PolarHBondContact O-N 3.35Å; Q42-S86 VanDerWaalsContact CG-OG 3.26Å; Q42-S86 WeakPolarHBondContact CG-OG 3.37Å; Q42-S86 PolarHBondContact NE2-OG 3.22Å
43E85.8Confident79.1Confident82 Ų8249.2 Ų49.238%0.38325%0.246SC..Hα-helixtrans-63.8-42176.3-175.556.8-152.900111.3A39 Q40 F41 R46 K47A39-E43 PolarHBondContact O-N 3.06Å; Q40-E43 PolarHBondContact O-N 3.12Å; F41-E43 PolarHBondContact O-N 2.85Å; E43-R46 PolarHBondContact O-N 3.27Å; E43-R46 IonicContact OE2-CZ 2.91Å; E43-R46 IonicContact OE2-NH1 3.81Å; E43-R46 PolarHBondContact OE2-NH1 2.86Å; E43-K47 WeakPolarHBondContact O-CG 3.26Å; E43-K47 PolarHBondContact O-N 2.94Å
44F91.9Very high79.3Confident4 Ų454 Ų542%0.01827%0.267CS..Hα-helixtrans-60.3-47.5171.7163.9-101.5000112.3L8 D11 Y12 W15 Q40 F41 Q42 R46 K47 M48 L70L8-F44 HydrophobicContact CD1-CD2 4.22Å; L8-F44 HydrophobicContact CD1-CE2 4.18Å; D11-F44 HydrophobicContact CB-CD2 3.78Å; D11-F44 HydrophobicContact CB-CE2 4.05Å; Y12-F44 HydrophobicContact CD2-CZ 4.09Å; W15-F44 HydrophobicContact CB-CD1 4.2Å; W15-F44 HydrophobicContact CB-CE1 3.94Å; W15-F44 HydrophobicContact CB-CZ 4.29Å; W15-F44 AromaticContact CD1-CD1 3.36Å; W15-F44 AromaticContact CD1-CD2 3.42Å; W15-F44 VanDerWaalsContact CD1-CD2 3.42Å; W15-F44 AromaticContact CD1-CE1 3.78Å; W15-F44 AromaticContact CD1-CE2 3.83Å; W15-F44 AromaticContact CD1-CG 3.14Å; W15-F44 AromaticContact CD1-CZ 3.99Å; W15-F44 AromaticContact CG-CD1 3.78Å; W15-F44 HydrophobicContact CG-CD1 3.78Å; W15-F44 HydrophobicContact CG-CD2 4.49Å; W15-F44 HydrophobicContact CG-CE1 4.02Å; W15-F44 HydrophobicContact CG-CG 4.02Å; W15-F44 HydrophobicContact CG-CZ 4.46Å; W15-F44 VanDerWaalsContact NE1-CB 3.28Å; W15-F44 AromaticContact NE1-CD1 3.89Å; W15-F44 AromaticContact NE1-CD2 3.87Å; W15-F44 AromaticContact NE1-CG 3.39Å; Q40-F44 PolarHBondContact O-N 3.01Å; Q40-F44 VanDerWaalsContact O-N 3.09Å; F41-F44 AromaticContact CD2-CD1 3.89Å; F41-F44 HydrophobicContact CD2-CD1 3.89Å; F41-F44 AromaticContact CE2-CD1 3.81Å; F41-F44 HydrophobicContact CE2-CD1 3.81Å; F41-F44 HydrophobicContact CE2-CE1 4.06Å; F41-F44 WeakPolarHBondContact O-CB 3.33Å; F41-F44 PolarHBondContact O-N 3.02Å; Q42-F44 VanDerWaalsContact C-N 3.34Å; F44-R46 PolarHBondContact O-N 2.93Å; F44-K47 PolarHBondContact O-N 3.38Å; F44-M48 HydrophobicContact CD1-CG 4.27Å; F44-M48 HydrophobicContact CD2-CG 3.99Å; F44-M48 HydrophobicContact CE1-CG 3.78Å; F44-M48 HydrophobicContact CE2-CG 3.47Å; F44-M48 VanDerWaalsContact CE2-CG 3.47Å; F44-M48 HydrophobicContact CE2-SD 3.78Å; F44-M48 HydrophobicContact CG-CG 4.37Å; F44-M48 HydrophobicContact CZ-CG 3.36Å; F44-M48 HydrophobicContact CZ-SD 3.84Å; F44-M48 WeakPolarHBondContact O-CB 3.43Å; F44-M48 WeakPolarHBondContact O-CG 3.48Å; F44-M48 PolarHBondContact O-N 2.89Å; F44-L70 HydrophobicContact CE1-CD1 3.9Å; F44-L70 HydrophobicContact CE1-CD2 4.27Å; F44-L70 HydrophobicContact CZ-CD1 3.93Å
45L88.2Confident79.9Confident1 Ų156 Ų561%0.00528%0.277CS..Hα-helixtrans-59.7-36.4177.9-75178000111.6F41 Q42 M48 Y49 L70 I89 L90F41-L45 HydrophobicContact CD1-CD1 3.86Å; F41-L45 HydrophobicContact CD1-CG 4.26Å; F41-L45 HydrophobicContact CE1-CD1 3.49Å; F41-L45 VanDerWaalsContact CE1-CD1 3.49Å; F41-L45 HydrophobicContact CE1-CD2 4.27Å; F41-L45 HydrophobicContact CE1-CG 3.91Å; F41-L45 HydrophobicContact CE2-CD2 4.23Å; F41-L45 HydrophobicContact CE2-CG 4.18Å; F41-L45 HydrophobicContact CZ-CD1 3.93Å; F41-L45 HydrophobicContact CZ-CD2 3.82Å; F41-L45 HydrophobicContact CZ-CG 3.87Å; F41-L45 WeakPolarHBondContact O-CG 3.29Å; F41-L45 PolarHBondContact O-N 3.03Å; Q42-L45 PolarHBondContact O-N 3.46Å; L45-M48 WeakPolarHBondContact O-CB 3.5Å; L45-M48 PolarHBondContact O-N 3.26Å; L45-Y49 WeakPolarHBondContact O-CB 3.33Å; L45-Y49 PolarHBondContact O-N 2.98Å; L45-L70 HydrophobicContact CD2-CD2 4.33Å; L45-I89 VanDerWaalsContact C-CG2 3.49Å; L45-I89 HydrophobicContact CB-CB 4.35Å; L45-I89 HydrophobicContact CB-CG2 3.59Å; L45-I89 WeakPolarHBondContact O-CG2 3.39Å; L45-L90 HydrophobicContact CD1-CD2 3.88Å; L45-L90 HydrophobicContact CD1-CG 3.95Å; L45-L90 HydrophobicContact CD2-CD2 3.84Å
46R83.6Confident80.6Confident96 Ų9657.8 Ų57.836%0.36228%0.282SS..Hα-helixtrans-66.2-46.8175.8-170.7179.5-65.7118.72.3111.5Q42 E43 F44 M48 Y49 E50 I89Q42-R46 WeakPolarHBondContact O-CB 3.5Å; Q42-R46 PolarHBondContact O-N 3.35Å; E43-R46 PolarHBondContact O-N 3.27Å; E43-R46 IonicContact OE2-CZ 2.91Å; E43-R46 IonicContact OE2-NH1 3.81Å; E43-R46 PolarHBondContact OE2-NH1 2.86Å; F44-R46 PolarHBondContact O-N 2.93Å; R46-M48 VanDerWaalsContact C-N 3.27Å; R46-M48 PolarHBondContact O-N 3.46Å; R46-Y49 PolarHBondContact O-N 3.33Å; R46-E50 PolarHBondContact O-N 3.49Å; R46-I89 HydrophobicContact CB-CD1 4.42Å
47K85.6Confident80.4Confident83 Ų8353.3 Ų53.336%0.36126%0.261SS..Hα-helixtrans-59.9-38.9173.5-68.2177.7-179.3-177.30111.7L8 E43 F44 A51L8-K47 HydrophobicContact CD1-CB 3.76Å; E43-K47 WeakPolarHBondContact O-CG 3.26Å; E43-K47 PolarHBondContact O-N 2.94Å; F44-K47 PolarHBondContact O-N 3.38Å; K47-A51 PolarHBondContact O-N 3.11Å; K47-A51 VanDerWaalsContact O-N 3.1Å
48M85.6Confident80.1Confident2 Ų256.8 Ų56.81%0.0128%0.281CS..Hα-helixtrans-65.3-44.2175.4-76.1-61.1-55.500112.1L8 Y12 F44 L45 R46 A51 L52 F64 I67L8-M48 HydrophobicContact CD1-CG 4.13Å; L8-M48 HydrophobicContact CD1-SD 3.71Å; L8-M48 HydrophobicContact CD2-SD 3.83Å; L8-M48 HydrophobicContact CG-SD 3.71Å; Y12-M48 HydrophobicContact CD2-CE 4.14Å; Y12-M48 HydrophobicContact CD2-SD 4.24Å; Y12-M48 HydrophobicContact CE2-CE 4.39Å; F44-M48 HydrophobicContact CD1-CG 4.27Å; F44-M48 HydrophobicContact CD2-CG 3.99Å; F44-M48 HydrophobicContact CE1-CG 3.78Å; F44-M48 HydrophobicContact CE2-CG 3.47Å; F44-M48 VanDerWaalsContact CE2-CG 3.47Å; F44-M48 HydrophobicContact CE2-SD 3.78Å; F44-M48 HydrophobicContact CG-CG 4.37Å; F44-M48 HydrophobicContact CZ-CG 3.36Å; F44-M48 HydrophobicContact CZ-SD 3.84Å; F44-M48 WeakPolarHBondContact O-CB 3.43Å; F44-M48 WeakPolarHBondContact O-CG 3.48Å; F44-M48 PolarHBondContact O-N 2.89Å; L45-M48 WeakPolarHBondContact O-CB 3.5Å; L45-M48 PolarHBondContact O-N 3.26Å; R46-M48 VanDerWaalsContact C-N 3.27Å; R46-M48 PolarHBondContact O-N 3.46Å; M48-A51 WeakPolarHBondContact O-CB 3.38Å; M48-A51 PolarHBondContact O-N 3.41Å; M48-L52 WeakPolarHBondContact O-CB 3.44Å; M48-L52 VanDerWaalsContact O-CG 3.26Å; M48-L52 WeakPolarHBondContact O-CG 3.49Å; M48-L52 PolarHBondContact O-N 2.84Å; M48-F64 HydrophobicContact CE-CD1 4.06Å; M48-F64 HydrophobicContact CE-CD2 4.09Å; M48-F64 HydrophobicContact CE-CE1 4Å; M48-F64 HydrophobicContact CE-CE2 4.02Å; M48-F64 HydrophobicContact CE-CG 4.1Å; M48-F64 HydrophobicContact CE-CZ 3.97Å; M48-F64 HydrophobicContact SD-CE1 4.05Å; M48-F64 HydrophobicContact SD-CZ 4.06Å; M48-I67 HydrophobicContact CE-CD1 3.6Å
49Y82.2Confident80.3Confident50 Ų5058.9 Ų58.920%0.19629%0.294CS..Hα-helixtrans-58.6-48.6175.9168.1-110.2000111.9L45 R46 A51 L52 K53 W92 C96L45-Y49 WeakPolarHBondContact O-CB 3.33Å; L45-Y49 PolarHBondContact O-N 2.98Å; R46-Y49 PolarHBondContact O-N 3.33Å; Y49-A51 PolarHBondContact O-N 3.36Å; Y49-L52 PolarHBondContact O-N 3.14Å; Y49-L52 VanDerWaalsContact O-N 3.12Å; Y49-K53 HydrophobicContact CE1-CD 4.49Å; Y49-K53 WeakPolarHBondContact O-CB 3.49Å; Y49-K53 PolarHBondContact O-N 3.49Å; Y49-W92 HydrophobicContact CD1-CE3 4.42Å; Y49-W92 HydrophobicContact CD2-CB 3.63Å; Y49-W92 HydrophobicContact CE1-CE3 4.36Å; Y49-W92 HydrophobicContact CE2-CB 3.6Å; Y49-W92 HydrophobicContact CE2-CG 4.37Å; Y49-W92 HydrophobicContact CG-CB 4.33Å; Y49-C96 VanDerWaalsContact CE2-SG 3.58Å
50E81.6Confident80.5Confident100 Ų10056.1 Ų56.147%0.46727%0.271SS..Hα-helixtrans-59.8-37.1177.5-68.7-61.7158.400111.7R46R46-E50 PolarHBondContact O-N 3.49Å
51A82Confident80.2Confident15 Ų1555.1 Ų55.112%0.12427%0.268CS..Hα-helixtrans-68.2-42.7173.900000112.7L8 K47 M48 Y49 M55L8-A51 HydrophobicContact CD2-CB 3.69Å; K47-A51 PolarHBondContact O-N 3.11Å; K47-A51 VanDerWaalsContact O-N 3.1Å; M48-A51 WeakPolarHBondContact O-CB 3.38Å; M48-A51 PolarHBondContact O-N 3.41Å; Y49-A51 PolarHBondContact O-N 3.36Å; A51-M55 HydrophobicContact CB-CE 3.97Å; A51-M55 WeakPolarHBondContact O-CE 3.3Å; A51-M55 WeakPolarHBondContact O-CG 3.29Å
52L80.5Confident79.8Confident4 Ų463.2 Ų63.22%0.02131%0.306CS..Hα-helixtrans-69.6-33.1-178.5-71175.7000112.8M48 Y49 E54 M55 V60 C93 C96 L97M48-L52 WeakPolarHBondContact O-CB 3.44Å; M48-L52 VanDerWaalsContact O-CG 3.26Å; M48-L52 WeakPolarHBondContact O-CG 3.49Å; M48-L52 PolarHBondContact O-N 2.84Å; Y49-L52 PolarHBondContact O-N 3.14Å; Y49-L52 VanDerWaalsContact O-N 3.12Å; L52-E54 VanDerWaalsContact C-N 3.29Å; L52-E54 PolarHBondContact O-N 2.9Å; L52-M55 PolarHBondContact O-N 3.47Å; L52-V60 HydrophobicContact CD2-CB 4.24Å; L52-V60 HydrophobicContact CD2-CG1 3.46Å; L52-V60 VanDerWaalsContact CD2-CG1 3.46Å; L52-V60 HydrophobicContact CD2-CG2 3.67Å; L52-C93 HydrophobicContact CD1-CB 4.05Å; L52-C96 HydrophobicContact CB-CB 3.91Å; L52-L97 HydrophobicContact CD2-CD2 4.22Å
53K76.9Confident79.6Confident114 Ų11466.6 Ų66.650%0.49632%0.317SS..Hα-helixtrans-63.6-34-179.6179.6-175.1168.1-164.10113.1Y49Y49-K53 HydrophobicContact CE1-CD 4.49Å; Y49-K53 WeakPolarHBondContact O-CB 3.49Å; Y49-K53 PolarHBondContact O-N 3.49Å
54E73.9Confident79.5Confident146 Ų14662.8 Ų62.868%0.68230%0.3SS*.THydrogen-bonded Turntrans-94-4.9-175.5-59.6-62.1140.500113.1L52L52-E54 VanDerWaalsContact C-N 3.29Å; L52-E54 PolarHBondContact O-N 2.9Å
55M76.1Confident78.9Confident44 Ų4467.5 Ų67.522%0.21733%0.33CS..SBendtrans-108144.1-175.6-68.2178.5-16000112.1A51 L52 T59 V60 R63 F64A51-M55 HydrophobicContact CB-CE 3.97Å; A51-M55 WeakPolarHBondContact O-CE 3.3Å; A51-M55 WeakPolarHBondContact O-CG 3.29Å; L52-M55 PolarHBondContact O-N 3.47Å; M55-T59 HydrophobicContact CB-CG2 4.37Å; M55-T59 HydrophobicContact CG-CG2 4.22Å; M55-T59 HydrophobicContact SD-CG2 4.3Å; M55-V60 HydrophobicContact CB-CG2 3.63Å; M55-R63 VanDerWaalsContact CE-NH1 3.35Å; M55-F64 HydrophobicContact SD-CE2 4.49Å
56D72.5Confident78.8Confident93 Ų9369.4 Ų69.450%0.49734%0.342SS..  trans-76.4160.9168.168.147.8000111.9N58 T59 V60D56-N58 PolarHBondContact O-N 2.81Å; D56-N58 PolarHBondContact OD1-N 3.21Å; D56-T59 VanDerWaalsContact CG-OG1 3.25Å; D56-T59 WeakPolarHBondContact O-CB 3.29Å; D56-T59 PolarHBondContact O-N 2.74Å; D56-T59 VanDerWaalsContact O-N 3.14Å; D56-T59 VanDerWaalsContact OD1-CB 3.31Å; D56-T59 WeakPolarHBondContact OD1-CB 3.5Å; D56-T59 PolarHBondContact OD1-N 2.96Å; D56-T59 PolarHBondContact OD1-OG1 3.39Å; D56-T59 PolarHBondContact OD2-OG1 2.75Å; D56-V60 WeakPolarHBondContact O-CG2 3.2Å; D56-V60 PolarHBondContact O-N 3.48Å
57S67.1Low78.9Confident35 Ų3565.5 Ų65.525%0.24533%0.328CS..Hα-helixtrans-62.6-26.8-173.448.70000114.2I61 N99S57-I61 WeakPolarHBondContact O-CD1 3.47Å; S57-I61 VanDerWaalsContact O-CG1 3.29Å; S57-I61 WeakPolarHBondContact O-CG1 3.34Å; S57-I61 PolarHBondContact O-N 3.04Å; S57-N99 WeakPolarHBondContact CB-OD1 3.3Å; S57-N99 PolarHBondContact OG-OD1 3.44Å
58N71.4Confident78.7Confident102 Ų10262.4 Ų62.455%0.54532%0.32SS..Hα-helixtrans-74.7-43.5175.9-66.5-30.8000110.7D56 V60 I61 E62D56-N58 PolarHBondContact O-N 2.81Å; D56-N58 PolarHBondContact OD1-N 3.21Å; N58-V60 VanDerWaalsContact C-N 3.3Å; N58-V60 PolarHBondContact O-N 3.18Å; N58-I61 PolarHBondContact O-N 3.41Å; N58-E62 PolarHBondContact O-N 3.01Å; N58-E62 VanDerWaalsContact O-N 3.08Å
59T78.4Confident78.8Confident54 Ų5467.7 Ų67.733%0.33135%0.345SS..Hα-helixtrans-62.7-38177.3-55.40000111.5M55 D56 R63M55-T59 HydrophobicContact CB-CG2 4.37Å; M55-T59 HydrophobicContact CG-CG2 4.22Å; M55-T59 HydrophobicContact SD-CG2 4.3Å; D56-T59 VanDerWaalsContact CG-OG1 3.25Å; D56-T59 WeakPolarHBondContact O-CB 3.29Å; D56-T59 PolarHBondContact O-N 2.74Å; D56-T59 VanDerWaalsContact O-N 3.14Å; D56-T59 VanDerWaalsContact OD1-CB 3.31Å; D56-T59 WeakPolarHBondContact OD1-CB 3.5Å; D56-T59 PolarHBondContact OD1-N 2.96Å; D56-T59 PolarHBondContact OD1-OG1 3.39Å; D56-T59 PolarHBondContact OD2-OG1 2.75Å; T59-R63 VanDerWaalsContact O-CB 3.3Å; T59-R63 WeakPolarHBondContact O-CB 3.24Å; T59-R63 PolarHBondContact O-N 2.9Å; T59-R63 VanDerWaalsContact O-N 3.07Å
60V76.7Confident79.1Confident5 Ų565.3 Ų65.33%0.0334%0.336CS..Hα-helixtrans-63.6-43175.51720000111.6L52 M55 D56 N58 R63 F64 I67 L97L52-V60 HydrophobicContact CD2-CB 4.24Å; L52-V60 HydrophobicContact CD2-CG1 3.46Å; L52-V60 VanDerWaalsContact CD2-CG1 3.46Å; L52-V60 HydrophobicContact CD2-CG2 3.67Å; M55-V60 HydrophobicContact CB-CG2 3.63Å; D56-V60 WeakPolarHBondContact O-CG2 3.2Å; D56-V60 PolarHBondContact O-N 3.48Å; N58-V60 VanDerWaalsContact C-N 3.3Å; N58-V60 PolarHBondContact O-N 3.18Å; V60-R63 PolarHBondContact O-N 3.34Å; V60-F64 CarbonylContact O-C 3.56Å; V60-F64 WeakPolarHBondContact O-CA 3.2Å; V60-F64 PolarHBondContact O-N 2.85Å; V60-I67 HydrophobicContact CG1-CG2 4.11Å; V60-L97 HydrophobicContact CG1-CD2 3.69Å
61I75.3Confident79.4Confident96 Ų9660.6 Ų60.649%0.49231%0.314SS..Hα-helixtrans-68.9-38-179.1-68.1167000111.2S57 N58 P65S57-I61 WeakPolarHBondContact O-CD1 3.47Å; S57-I61 VanDerWaalsContact O-CG1 3.29Å; S57-I61 WeakPolarHBondContact O-CG1 3.34Å; S57-I61 PolarHBondContact O-N 3.04Å; N58-I61 PolarHBondContact O-N 3.41Å; I61-P65 VanDerWaalsContact O-CA 3.24Å; I61-P65 WeakPolarHBondContact O-CA 3.32Å
62E78.6Confident79.6Confident169 Ų16960.7 Ų60.779%0.7931%0.314SS*.Hα-helixtrans-65.7-40175.9-73-175.9174.400112.1N58N58-E62 PolarHBondContact O-N 3.01Å; N58-E62 VanDerWaalsContact O-N 3.08Å
63R78.3Confident79.9Confident103 Ų10362.7 Ų62.739%0.38932%0.323SS..Hα-helixtrans-85.7-33.4-174.9-166.8166.8178.1171.1-9.6113.8S5 M55 T59 V60S5-R63 VanDerWaalsContact CA-NH2 3.33Å; M55-R63 VanDerWaalsContact CE-NH1 3.35Å; T59-R63 VanDerWaalsContact O-CB 3.3Å; T59-R63 WeakPolarHBondContact O-CB 3.24Å; T59-R63 PolarHBondContact O-N 2.9Å; T59-R63 VanDerWaalsContact O-N 3.07Å; V60-R63 PolarHBondContact O-N 3.34Å
64F82.9Confident80.3Confident3 Ų357.3 Ų57.31%0.01330%0.299CS..  trans-13470-178.3-54-71.3000110.6L8 Y12 M48 M55 V60 T66 I67L8-F64 HydrophobicContact CD2-CZ 3.86Å; L8-F64 HydrophobicContact CG-CZ 4.32Å; Y12-F64 HydrophobicContact CD1-CD1 4.41Å; Y12-F64 AromaticContact CD2-CD1 3.58Å; Y12-F64 HydrophobicContact CD2-CD1 3.58Å; Y12-F64 HydrophobicContact CD2-CE1 4.05Å; Y12-F64 HydrophobicContact CD2-CG 4.48Å; Y12-F64 HydrophobicContact CE2-CB 4.13Å; Y12-F64 AromaticContact CE2-CD1 3.77Å; Y12-F64 HydrophobicContact CE2-CD1 3.77Å; Y12-F64 HydrophobicContact CE2-CG 4.29Å; Y12-F64 AromaticContact CG-CD1 3.94Å; Y12-F64 HydrophobicContact CG-CD1 3.94Å; Y12-F64 HydrophobicContact CG-CE1 4.27Å; M48-F64 HydrophobicContact CE-CD1 4.06Å; M48-F64 HydrophobicContact CE-CD2 4.09Å; M48-F64 HydrophobicContact CE-CE1 4Å; M48-F64 HydrophobicContact CE-CE2 4.02Å; M48-F64 HydrophobicContact CE-CG 4.1Å; M48-F64 HydrophobicContact CE-CZ 3.97Å; M48-F64 HydrophobicContact SD-CE1 4.05Å; M48-F64 HydrophobicContact SD-CZ 4.06Å; M55-F64 HydrophobicContact SD-CE2 4.49Å; V60-F64 CarbonylContact O-C 3.56Å; V60-F64 WeakPolarHBondContact O-CA 3.2Å; V60-F64 PolarHBondContact O-N 2.85Å; F64-T66 PolarHBondContact O-N 3.43Å; F64-I67 HydrophobicContact CB-CB 3.89Å; F64-I67 WeakPolarHBondContact O-CB 3.29Å; F64-I67 WeakPolarHBondContact O-CG2 2.99Å; F64-I67 PolarHBondContact O-N 3.18Å
65P80.4Confident80.6Confident102 Ų10250.3 Ų50.366%0.66227%0.267SS*.THydrogen-bonded Turntrans-61.3-21.7-172.522.3-33.8000113.9I61I61-P65 VanDerWaalsContact O-CA 3.24Å; I61-P65 WeakPolarHBondContact O-CA 3.32Å
66T85.8Confident80.8Confident42 Ų4255.3 Ų55.326%0.25828%0.283SS..THydrogen-bonded Turntrans-10715.8-18053.90000113.5Y12 F64 G68 Q69 L70Y12-T66 WeakPolarHBondContact OH-CA 3.39Å; Y12-T66 PolarHBondContact OH-O 2.71Å; Y12-T66 PolarHBondContact OH-OG1 2.73Å; F64-T66 PolarHBondContact O-N 3.43Å; T66-G68 PolarHBondContact O-N 2.91Å; T66-G68 VanDerWaalsContact O-N 3.16Å; T66-Q69 WeakPolarHBondContact O-CA 3.47Å; T66-Q69 WeakPolarHBondContact O-CB 3.24Å; T66-Q69 PolarHBondContact O-N 2.89Å; T66-L70 PolarHBondContact O-N 2.79Å
67I84.4Confident80.8Confident13 Ų1351.1 Ų51.17%0.06726%0.261CS..Hα-helixtrans-57.1-37.6-173.9-17360.2000112.5Y12 M48 V60 F64 Q69 L70 L71 L97Y12-I67 HydrophobicContact CE2-CD1 4.06Å; Y12-I67 WeakPolarHBondContact OH-CA 3.35Å; Y12-I67 PolarHBondContact OH-N 3.41Å; M48-I67 HydrophobicContact CE-CD1 3.6Å; V60-I67 HydrophobicContact CG1-CG2 4.11Å; F64-I67 HydrophobicContact CB-CB 3.89Å; F64-I67 WeakPolarHBondContact O-CB 3.29Å; F64-I67 WeakPolarHBondContact O-CG2 2.99Å; F64-I67 PolarHBondContact O-N 3.18Å; I67-Q69 VanDerWaalsContact C-N 3.29Å; I67-Q69 PolarHBondContact O-N 3.47Å; I67-L70 WeakPolarHBondContact O-CB 3.21Å; I67-L70 PolarHBondContact O-N 2.91Å; I67-L71 HydrophobicContact CD1-CD1 4.46Å; I67-L71 HydrophobicContact CD1-CG 4.33Å; I67-L71 HydrophobicContact CG1-CD1 4.15Å; I67-L71 HydrophobicContact CG1-CG 4.43Å; I67-L71 WeakPolarHBondContact O-CG 3.17Å; I67-L71 PolarHBondContact O-N 3.37Å; I67-L97 HydrophobicContact CG1-CD1 4.3Å; I67-L97 HydrophobicContact CG2-CD1 4.29Å; I67-L97 HydrophobicContact CG2-CD2 4.31Å
68G82.8Confident80.6Confident19 Ų1953.5 Ų53.520%0.19628%0.276CS..Hα-helixtrans-62.7-35.5175.200000112.7T66 A72 W113T66-G68 PolarHBondContact O-N 2.91Å; T66-G68 VanDerWaalsContact O-N 3.16Å; G68-A72 VanDerWaalsContact O-CB 3.28Å; G68-A72 WeakPolarHBondContact O-CB 3.42Å; G68-A72 PolarHBondContact O-N 2.7Å; G68-W113 WeakPolarHBondContact O-CH2 3.47Å; G68-W113 WeakPolarHBondContact O-CZ2 3.16Å
69Q86.1Confident80.2Confident112 Ų11251.4 Ų51.452%0.52326%0.262SS..Hα-helixtrans-71.3-40.3176-61.9178.8-600111.5M16 T66 I67 A72 K73M16-Q69 HydrophobicContact CE-CB 4.11Å; T66-Q69 WeakPolarHBondContact O-CA 3.47Å; T66-Q69 WeakPolarHBondContact O-CB 3.24Å; T66-Q69 PolarHBondContact O-N 2.89Å; I67-Q69 VanDerWaalsContact C-N 3.29Å; I67-Q69 PolarHBondContact O-N 3.47Å; Q69-A72 PolarHBondContact O-N 3.45Å; Q69-K73 WeakPolarHBondContact O-CB 3.33Å; Q69-K73 WeakPolarHBondContact O-CG 3.48Å; Q69-K73 PolarHBondContact O-N 3.46Å
70L89.7Confident79.7Confident1 Ų148.9 Ų48.91%0.00525%0.246CC..Hα-helixtrans-57-54.5174.9-171144.6000110.4Y12 M16 L19 F44 L45 T66 I67 K73 A74Y12-L70 HydrophobicContact CD2-CD1 3.82Å; Y12-L70 HydrophobicContact CE2-CB 4.49Å; Y12-L70 HydrophobicContact CE2-CD1 3.6Å; M16-L70 HydrophobicContact CG-CD1 3.95Å; M16-L70 VanDerWaalsContact SD-CA 3.51Å; M16-L70 HydrophobicContact SD-CB 3.36Å; M16-L70 WeakPolarHBondContact SD-CB 3.43Å; M16-L70 HydrophobicContact SD-CD1 3.73Å; M16-L70 HydrophobicContact SD-CG 3.76Å; L19-L70 HydrophobicContact CD1-CD1 4.5Å; L19-L70 HydrophobicContact CD1-CD2 4.32Å; L19-L70 HydrophobicContact CD1-CG 3.81Å; F44-L70 HydrophobicContact CE1-CD1 3.9Å; F44-L70 HydrophobicContact CE1-CD2 4.27Å; F44-L70 HydrophobicContact CZ-CD1 3.93Å; L45-L70 HydrophobicContact CD2-CD2 4.33Å; T66-L70 PolarHBondContact O-N 2.79Å; I67-L70 WeakPolarHBondContact O-CB 3.21Å; I67-L70 PolarHBondContact O-N 2.91Å; L70-K73 PolarHBondContact O-N 3.22Å; L70-A74 PolarHBondContact O-N 3.23Å
71L87.5Confident79.4Confident1 Ų149.5 Ų49.51%0.00525%0.249CC..Hα-helixtrans-65.6-40.9-177.4-66.2176.2000111.1I67 A74 C75 L90 C93 L94 L97I67-L71 HydrophobicContact CD1-CD1 4.46Å; I67-L71 HydrophobicContact CD1-CG 4.33Å; I67-L71 HydrophobicContact CG1-CD1 4.15Å; I67-L71 HydrophobicContact CG1-CG 4.43Å; I67-L71 WeakPolarHBondContact O-CG 3.17Å; I67-L71 PolarHBondContact O-N 3.37Å; L71-A74 PolarHBondContact O-N 2.89Å; L71-C75 VanDerWaalsContact O-CB 3.29Å; L71-C75 WeakPolarHBondContact O-CB 3.38Å; L71-C75 PolarHBondContact O-N 2.84Å; L71-C75 PolarHBondContact O-SG 3.32Å; L71-L90 HydrophobicContact CD2-CD2 3.71Å; L71-C93 HydrophobicContact CD1-CB 4.01Å; L71-C93 HydrophobicContact CD2-CB 3.74Å; L71-L94 HydrophobicContact CB-CD2 4.06Å; L71-L94 HydrophobicContact CD1-CD2 3.95Å; L71-L94 HydrophobicContact CD1-CG 4.31Å; L71-L97 HydrophobicContact CD1-CD1 3.51Å
72A85.6Confident78.5Confident16 Ų1648.5 Ų48.513%0.13226%0.255CS..Hα-helixtrans-58-52.4173.700000112.1G68 Q69 A74 C75 W76 W113G68-A72 VanDerWaalsContact O-CB 3.28Å; G68-A72 WeakPolarHBondContact O-CB 3.42Å; G68-A72 PolarHBondContact O-N 2.7Å; Q69-A72 PolarHBondContact O-N 3.45Å; A72-A74 PolarHBondContact O-N 3.11Å; A72-C75 CarbonylContact O-C 3.53Å; A72-C75 PolarHBondContact O-N 3.37Å; A72-W76 PolarHBondContact O-N 2.98Å; A72-W113 HydrophobicContact CB-CZ2 3.9Å
73K87.3Confident77.4Confident47 Ų4744.7 Ų44.720%0.20423%0.234CC..Hα-helixtrans-58.2-40.1-179.5-74.2175.5176.7-75.10111.7L19 D23 Q69 L70 W76 N77L19-K73 HydrophobicContact CB-CB 4.16Å; L19-K73 HydrophobicContact CB-CD 4.39Å; D23-K73 IonicContact OD2-NZ 2.86Å; D23-K73 PolarHBondContact OD2-NZ 3.17Å; Q69-K73 WeakPolarHBondContact O-CB 3.33Å; Q69-K73 WeakPolarHBondContact O-CG 3.48Å; Q69-K73 PolarHBondContact O-N 3.46Å; L70-K73 PolarHBondContact O-N 3.22Å; K73-W76 PolarHBondContact O-N 3.15Å; K73-N77 PolarHBondContact O-N 3.22Å
74A85.4Confident76.3Confident0 Ų043.8 Ų43.80%024%0.237CC..Hα-helixtrans-64.9-41.4174.800000112.6L19 F41 L70 L71 A72 W76 N77 I80 L90L19-A74 HydrophobicContact CD2-CB 4.23Å; F41-A74 HydrophobicContact CE1-CB 4.08Å; F41-A74 HydrophobicContact CZ-CB 3.95Å; L70-A74 PolarHBondContact O-N 3.23Å; L71-A74 PolarHBondContact O-N 2.89Å; A72-A74 PolarHBondContact O-N 3.11Å; A74-W76 VanDerWaalsContact C-N 3.31Å; A74-W76 PolarHBondContact O-N 3.22Å; A74-N77 PolarHBondContact O-N 2.94Å; A74-I80 HydrophobicContact CB-CD1 4.46Å; A74-L90 HydrophobicContact CB-CD1 4.04Å; A74-L90 HydrophobicContact CB-CD2 3.67Å
75C80.1Confident75.6Confident0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-77.4-12.6-179.2-62.10000114.2L71 A72 L81 V117 H120 I121L71-C75 VanDerWaalsContact O-CB 3.29Å; L71-C75 WeakPolarHBondContact O-CB 3.38Å; L71-C75 PolarHBondContact O-N 2.84Å; L71-C75 PolarHBondContact O-SG 3.32Å; A72-C75 CarbonylContact O-C 3.53Å; A72-C75 PolarHBondContact O-N 3.37Å; C75-L81 WeakPolarHBondContact O-CD1 3.42Å; C75-V117 HydrophobicContact CB-CG1 3.77Å; C75-H120 PolarHBondContact O-CE1 3.29Å; C75-H120 PolarHBondContact O-ND1 3.17Å; C75-I121 HydrophobicContact CB-CD1 3.87Å; C75-I121 HydrophobicContact CB-CG1 3.9Å; C75-I121 WeakPolarHBondContact SG-CD1 3.45Å
76W79.6Confident75Confident149 Ų14942.4 Ų42.456%0.56422%0.222SC*.THydrogen-bonded Turntrans-100.1-2.3173.3-75.4105.8000112.8A72 K73 A74 P78 H120A72-W76 PolarHBondContact O-N 2.98Å; K73-W76 PolarHBondContact O-N 3.15Å; A74-W76 VanDerWaalsContact C-N 3.31Å; A74-W76 PolarHBondContact O-N 3.22Å; W76-P78 WeakPolarHBondContact O-CD 3.29Å; W76-H120 AromaticContact CD2-CE1 3.79Å; W76-H120 AromaticContact CE3-CD2 3.97Å; W76-H120 AromaticContact CE3-CE1 3.35Å; W76-H120 AromaticContact CE3-ND1 3.96Å; W76-H120 AromaticContact CE3-NE2 3.35Å; W76-H120 HydrophobicContact CH2-CB 4.41Å; W76-H120 AromaticContact CH2-CD2 3.23Å; W76-H120 WeakPolarHBondContact CH2-CD2 3.39Å; W76-H120 AromaticContact CH2-CG 3.65Å; W76-H120 AromaticContact CH2-NE2 3.52Å; W76-H120 HydrophobicContact CZ2-CB 4.31Å; W76-H120 AromaticContact CZ2-CD2 3.89Å; W76-H120 AromaticContact CZ2-CG 3.82Å; W76-H120 AromaticContact CZ3-CD2 3.29Å; W76-H120 WeakPolarHBondContact CZ3-CD2 3.39Å; W76-H120 AromaticContact CZ3-CE1 3.5Å; W76-H120 AromaticContact CZ3-CG 3.93Å; W76-H120 AromaticContact CZ3-NE2 3Å; W76-H120 WeakPolarHBondContact CZ3-NE2 3.04Å
77N72.5Confident74.2Confident5 Ų542.2 Ų42.23%0.02722%0.218CC..  trans-93.1114.2176.4-170.8-54.8000111.3W22 K73 A74 F79 I80 L81W22-N77 PolarHBondContact O-ND2 3.34Å; K73-N77 PolarHBondContact O-N 3.22Å; A74-N77 PolarHBondContact O-N 2.94Å; N77-F79 VanDerWaalsContact C-N 3.29Å; N77-F79 PolarHBondContact O-N 3.31Å; N77-F79 WeakPolarHBondContact OD1-CB 3.43Å; N77-F79 PolarHBondContact OD1-N 3.29Å; N77-I80 HydrophobicContact CB-CB 4.24Å; N77-I80 HydrophobicContact CB-CD1 3.86Å; N77-I80 HydrophobicContact CB-CG1 4.03Å; N77-I80 PolarHBondContact O-N 3.47Å; N77-I80 PolarHBondContact OD1-N 3.02Å; N77-L81 PolarHBondContact O-N 3Å
78P64.8Low73.6Confident85 Ų8545.2 Ų45.255%0.55223%0.23SC*.Hα-helixtrans-67.4-26.6-17526.9-34.4000113.5W76 L81 A82W76-P78 WeakPolarHBondContact O-CD 3.29Å; P78-L81 CarbonylContact O-C 3.44Å; P78-A82 WeakPolarHBondContact O-CB 3.29Å; P78-A82 PolarHBondContact O-N 3.2Å
79F61.3Low73.2Confident58 Ų5844.4 Ų44.425%0.25422%0.221SC..Hα-helixtrans-77.8-29.9179.6-64.3-83.5000112.1Q31 T34 N77 Y83Q31-F79 HydrophobicContact CB-CE1 4.26Å; Q31-F79 HydrophobicContact CB-CE2 4.33Å; Q31-F79 HydrophobicContact CB-CZ 4.08Å; Q31-F79 HydrophobicContact CG-CD2 4.21Å; Q31-F79 HydrophobicContact CG-CE1 4.14Å; Q31-F79 HydrophobicContact CG-CE2 3.5Å; Q31-F79 HydrophobicContact CG-CZ 3.46Å; Q31-F79 VanDerWaalsContact CG-CZ 3.46Å; T34-F79 HydrophobicContact CG2-CB 3.84Å; N77-F79 VanDerWaalsContact C-N 3.29Å; N77-F79 PolarHBondContact O-N 3.31Å; N77-F79 WeakPolarHBondContact OD1-CB 3.43Å; N77-F79 PolarHBondContact OD1-N 3.29Å; F79-Y83 WeakPolarHBondContact O-CD2 3.48Å; F79-Y83 VanDerWaalsContact O-CE2 3.3Å; F79-Y83 WeakPolarHBondContact O-CE2 3.27Å
80I69.6Low72.8Confident0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-72.4-45.3171-62.3177.8000109.5L19 W22 T34 F41 A74 N77 A82 Y83 S86 L90L19-I80 HydrophobicContact CD2-CD1 3.59Å; W22-I80 HydrophobicContact CE3-CD1 3.88Å; W22-I80 HydrophobicContact CZ3-CD1 3.95Å; T34-I80 HydrophobicContact CG2-CG1 4Å; F41-I80 HydrophobicContact CD1-CD1 4.2Å; F41-I80 HydrophobicContact CD1-CG2 4.3Å; F41-I80 HydrophobicContact CE1-CD1 3.85Å; F41-I80 HydrophobicContact CE1-CG2 4Å; A74-I80 HydrophobicContact CB-CD1 4.46Å; N77-I80 HydrophobicContact CB-CB 4.24Å; N77-I80 HydrophobicContact CB-CD1 3.86Å; N77-I80 HydrophobicContact CB-CG1 4.03Å; N77-I80 PolarHBondContact O-N 3.47Å; N77-I80 PolarHBondContact OD1-N 3.02Å; I80-A82 PolarHBondContact O-N 3.24Å; I80-Y83 PolarHBondContact O-N 3.39Å; I80-S86 VanDerWaalsContact O-CB 3.3Å; I80-S86 WeakPolarHBondContact O-CB 3.49Å; I80-L90 HydrophobicContact CG2-CD1 4.07Å
81L69.1Low72.1Confident19 Ų1941.2 Ų41.210%0.09921%0.207CC..Hα-helixtrans-68.6-12.3176-70.3-171.7000113.6C75 N77 P78 Y83 Q87 L90 I121 A124C75-L81 WeakPolarHBondContact O-CD1 3.42Å; N77-L81 PolarHBondContact O-N 3Å; P78-L81 CarbonylContact O-C 3.44Å; L81-Y83 PolarHBondContact O-N 3.3Å; L81-Q87 HydrophobicContact CD2-CG 4.27Å; L81-Q87 WeakPolarHBondContact O-CG 3.46Å; L81-Q87 PolarHBondContact O-NE2 3.29Å; L81-L90 HydrophobicContact CD2-CD1 4.22Å; L81-I121 HydrophobicContact CD2-CG1 4.43Å; L81-I121 HydrophobicContact CD2-CG2 4.23Å; L81-A124 HydrophobicContact CD1-CB 4.46Å
82A56.8Low71.6Confident74 Ų7446.9 Ų46.961%0.61223%0.229SC*.THydrogen-bonded Turntrans-70.6-18174.400000112.9P78 I80P78-A82 WeakPolarHBondContact O-CB 3.29Å; P78-A82 PolarHBondContact O-N 3.2Å; I80-A82 PolarHBondContact O-N 3.24Å
83Y54.9Low71.3Confident90 Ų9046.1 Ų46.135%0.35322%0.223SC..SBendtrans-100.5121.1-178.7-65-94000111.5V38 F79 I80 L81 E85 S86 Q87V38-Y83 HydrophobicContact CB-CE2 4.41Å; V38-Y83 HydrophobicContact CG1-CD2 4.45Å; V38-Y83 HydrophobicContact CG1-CE1 4.24Å; V38-Y83 HydrophobicContact CG1-CE2 4.05Å; V38-Y83 HydrophobicContact CG2-CD2 3.81Å; V38-Y83 HydrophobicContact CG2-CE2 4.05Å; V38-Y83 HydrophobicContact CG2-CG 4.28Å; F79-Y83 WeakPolarHBondContact O-CD2 3.48Å; F79-Y83 VanDerWaalsContact O-CE2 3.3Å; F79-Y83 WeakPolarHBondContact O-CE2 3.27Å; I80-Y83 PolarHBondContact O-N 3.39Å; L81-Y83 PolarHBondContact O-N 3.3Å; Y83-E85 VanDerWaalsContact C-N 3.28Å; Y83-E85 PolarHBondContact O-N 2.91Å; Y83-S86 WeakPolarHBondContact O-CB 3.43Å; Y83-S86 PolarHBondContact O-N 3.41Å; Y83-S86 VanDerWaalsContact O-N 3.16Å; Y83-Q87 WeakPolarHBondContact O-CG 3.35Å; Y83-Q87 PolarHBondContact O-N 3.33Å; Y83-Q87 VanDerWaalsContact O-N 3.17Å
84D55.8Low70.8Confident84 Ų8443.9 Ų43.945%0.44921%0.213SC..Hα-helixtrans-48.6-44.7-179.7132.5-39.1000112.8Q87 K88D84-Q87 WeakPolarHBondContact O-CB 3.49Å; D84-Q87 PolarHBondContact O-N 3Å; D84-K88 WeakPolarHBondContact O-CG 3.46Å; D84-K88 PolarHBondContact O-N 2.69Å; D84-K88 VanDerWaalsContact O-N 3.1Å; D84-K88 IonicContact OD1-NZ 3.71Å; D84-K88 PolarHBondContact OD1-NZ 3.49Å; D84-K88 WeakPolarHBondContact OD2-CE 3.17Å; D84-K88 IonicContact OD2-NZ 3.59Å; D84-K88 PolarHBondContact OD2-NZ 3.49Å
85E68.3Low70.2Confident75 Ų7546.9 Ų46.935%0.3523%0.233SC..Hα-helixtrans-73.5-36.1-173.9-78-58.6134.800111.4Y83 Q87 K88 I89Y83-E85 VanDerWaalsContact C-N 3.28Å; Y83-E85 PolarHBondContact O-N 2.91Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 3.3Å; E85-K88 PolarHBondContact O-N 2.83Å; E85-K88 IonicContact OE1-NZ 3.22Å; E85-K88 PolarHBondContact OE1-NZ 2.93Å; E85-I89 WeakPolarHBondContact O-CD1 3.48Å; E85-I89 VanDerWaalsContact O-CG1 3.22Å; E85-I89 WeakPolarHBondContact O-CG1 3.22Å; E85-I89 PolarHBondContact O-N 3.37Å; E85-I89 VanDerWaalsContact O-N 3.12Å
86S67.3Low69.9Low0 Ų049.1 Ų49.10%025%0.249CC..Hα-helixtrans-62.2-42.5173.7-57.40000110.9Q42 I80 Y83 L90Q42-S86 VanDerWaalsContact CG-OG 3.26Å; Q42-S86 WeakPolarHBondContact CG-OG 3.37Å; Q42-S86 PolarHBondContact NE2-OG 3.22Å; I80-S86 VanDerWaalsContact O-CB 3.3Å; I80-S86 WeakPolarHBondContact O-CB 3.49Å; Y83-S86 WeakPolarHBondContact O-CB 3.43Å; Y83-S86 PolarHBondContact O-N 3.41Å; Y83-S86 VanDerWaalsContact O-N 3.16Å; S86-L90 WeakPolarHBondContact O-CB 3.42Å; S86-L90 WeakPolarHBondContact O-CD1 3.42Å; S86-L90 WeakPolarHBondContact O-CG 3.3Å; S86-L90 PolarHBondContact O-N 2.95Å
87Q69.6Low69.6Low39 Ų3942.8 Ų42.818%0.18223%0.225CC..Hα-helixtrans-60.9-49.8178.3-60.7163.88.100111.1L81 Y83 D84 E85 I89 L90 I91 L125L81-Q87 HydrophobicContact CD2-CG 4.27Å; L81-Q87 WeakPolarHBondContact O-CG 3.46Å; L81-Q87 PolarHBondContact O-NE2 3.29Å; Y83-Q87 WeakPolarHBondContact O-CG 3.35Å; Y83-Q87 PolarHBondContact O-N 3.33Å; Y83-Q87 VanDerWaalsContact O-N 3.17Å; D84-Q87 WeakPolarHBondContact O-CB 3.49Å; D84-Q87 PolarHBondContact O-N 3Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 3.3Å; Q87-I89 PolarHBondContact O-N 3.27Å; Q87-L90 PolarHBondContact O-N 3.01Å; Q87-I91 VanDerWaalsContact O-CG1 3.32Å; Q87-I91 WeakPolarHBondContact O-CG1 3.42Å; Q87-I91 PolarHBondContact O-N 3.29Å; Q87-L125 HydrophobicContact CG-CD2 4.26Å
88K72.1Confident69.7Low75 Ų7545.3 Ų45.333%0.32624%0.238SC..Hα-helixtrans-57.8-48.6-179.2-70.9170-169.9153.40111.4D84 E85 L90 I91 W92D84-K88 WeakPolarHBondContact O-CG 3.46Å; D84-K88 PolarHBondContact O-N 2.69Å; D84-K88 VanDerWaalsContact O-N 3.1Å; D84-K88 IonicContact OD1-NZ 3.71Å; D84-K88 PolarHBondContact OD1-NZ 3.49Å; D84-K88 WeakPolarHBondContact OD2-CE 3.17Å; D84-K88 IonicContact OD2-NZ 3.59Å; D84-K88 PolarHBondContact OD2-NZ 3.49Å; E85-K88 PolarHBondContact O-N 2.83Å; E85-K88 IonicContact OE1-NZ 3.22Å; E85-K88 PolarHBondContact OE1-NZ 2.93Å; K88-L90 PolarHBondContact O-N 3.44Å; K88-I91 PolarHBondContact O-N 2.99Å; K88-W92 HydrophobicContact CB-CZ2 4.48Å; K88-W92 VanDerWaalsContact O-CG 3.24Å; K88-W92 PolarHBondContact O-N 3.35Å
89I73.1Confident69.8Low2 Ų242.3 Ų42.31%0.0122%0.218CC..Hα-helixtrans-67.2-38.8-178.2-57.4163.1000110.8L45 R46 E85 Q87 W92 C93L45-I89 VanDerWaalsContact C-CG2 3.49Å; L45-I89 HydrophobicContact CB-CB 4.35Å; L45-I89 HydrophobicContact CB-CG2 3.59Å; L45-I89 WeakPolarHBondContact O-CG2 3.39Å; R46-I89 HydrophobicContact CB-CD1 4.42Å; E85-I89 WeakPolarHBondContact O-CD1 3.48Å; E85-I89 VanDerWaalsContact O-CG1 3.22Å; E85-I89 WeakPolarHBondContact O-CG1 3.22Å; E85-I89 PolarHBondContact O-N 3.37Å; E85-I89 VanDerWaalsContact O-N 3.12Å; Q87-I89 PolarHBondContact O-N 3.27Å; I89-W92 HydrophobicContact CG1-CE3 4.35Å; I89-W92 HydrophobicContact CG1-CZ3 4.38Å; I89-W92 PolarHBondContact O-N 3.26Å; I89-C93 PolarHBondContact O-N 3.39Å; I89-C93 PolarHBondContact O-SG 3.16Å; I89-C93 VanDerWaalsContact O-SG 3.33Å
90L79.5Confident69.9Low0 Ų049.4 Ų49.40%025%0.248CC..Hα-helixtrans-63.6-42.4175.9-74.1170.1000112.4L45 L71 A74 I80 L81 S86 Q87 K88 W92 C93 L94L45-L90 HydrophobicContact CD1-CD2 3.88Å; L45-L90 HydrophobicContact CD1-CG 3.95Å; L45-L90 HydrophobicContact CD2-CD2 3.84Å; L71-L90 HydrophobicContact CD2-CD2 3.71Å; A74-L90 HydrophobicContact CB-CD1 4.04Å; A74-L90 HydrophobicContact CB-CD2 3.67Å; I80-L90 HydrophobicContact CG2-CD1 4.07Å; L81-L90 HydrophobicContact CD2-CD1 4.22Å; S86-L90 WeakPolarHBondContact O-CB 3.42Å; S86-L90 WeakPolarHBondContact O-CD1 3.42Å; S86-L90 WeakPolarHBondContact O-CG 3.3Å; S86-L90 PolarHBondContact O-N 2.95Å; Q87-L90 PolarHBondContact O-N 3.01Å; K88-L90 PolarHBondContact O-N 3.44Å; L90-W92 VanDerWaalsContact C-N 3.32Å; L90-W92 PolarHBondContact O-N 3.06Å; L90-C93 PolarHBondContact O-N 2.86Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 2.93Å
91I73Confident69.6Low46 Ų4656.3 Ų56.324%0.23628%0.281CS..Hα-helixtrans-60.7-44.6174.2-69.2166.1000110Q87 K88 L94 C95 L118 I121Q87-I91 VanDerWaalsContact O-CG1 3.32Å; Q87-I91 WeakPolarHBondContact O-CG1 3.42Å; Q87-I91 PolarHBondContact O-N 3.29Å; K88-I91 PolarHBondContact O-N 2.99Å; I91-L94 PolarHBondContact O-N 3.01Å; I91-C95 WeakPolarHBondContact O-CB 3.45Å; I91-C95 PolarHBondContact O-N 2.85Å; I91-C95 PolarHBondContact O-SG 2.98Å; I91-L118 HydrophobicContact CB-CD2 4.4Å; I91-L118 HydrophobicContact CG1-CD2 4.19Å; I91-L118 HydrophobicContact CG2-CD2 4.12Å; I91-I121 HydrophobicContact CD1-CG2 4.35Å; I91-I121 HydrophobicContact CG1-CG2 4.42Å
92W78.6Confident69.3Low120 Ų12058.4 Ų58.446%0.45530%0.295SS..Hα-helixtrans-62.2-45.2177.2-65.5-19.3000112.8Y49 K88 I89 L90 L94 C95 C96Y49-W92 HydrophobicContact CD1-CE3 4.42Å; Y49-W92 HydrophobicContact CD2-CB 3.63Å; Y49-W92 HydrophobicContact CE1-CE3 4.36Å; Y49-W92 HydrophobicContact CE2-CB 3.6Å; Y49-W92 HydrophobicContact CE2-CG 4.37Å; Y49-W92 HydrophobicContact CG-CB 4.33Å; K88-W92 HydrophobicContact CB-CZ2 4.48Å; K88-W92 VanDerWaalsContact O-CG 3.24Å; K88-W92 PolarHBondContact O-N 3.35Å; I89-W92 HydrophobicContact CG1-CE3 4.35Å; I89-W92 HydrophobicContact CG1-CZ3 4.38Å; I89-W92 PolarHBondContact O-N 3.26Å; L90-W92 VanDerWaalsContact C-N 3.32Å; L90-W92 PolarHBondContact O-N 3.06Å; W92-L94 PolarHBondContact O-N 2.89Å; W92-C95 PolarHBondContact O-N 2.96Å; W92-C96 PolarHBondContact O-N 3.23Å; W92-C96 PolarHBondContact O-SG 2.91Å; W92-C96 VanDerWaalsContact O-SG 3.36Å
93C78.7Confident69.5Low1 Ų162.1 Ų62.11%0.00730%0.3CS..Hα-helixtrans-59.3-43.8174.8-72.60000112.2L52 L71 I89 L90 C96 L97L52-C93 HydrophobicContact CD1-CB 4.05Å; L71-C93 HydrophobicContact CD1-CB 4.01Å; L71-C93 HydrophobicContact CD2-CB 3.74Å; I89-C93 PolarHBondContact O-N 3.39Å; I89-C93 PolarHBondContact O-SG 3.16Å; I89-C93 VanDerWaalsContact O-SG 3.33Å; L90-C93 PolarHBondContact O-N 2.86Å; C93-C96 PolarHBondContact O-N 3.25Å; C93-L97 WeakPolarHBondContact O-CG 3.42Å
94L76.6Confident70.4Confident0 Ų061.8 Ų61.80%031%0.305CS..Hα-helixtrans-63.8-41.4177-74.8169.7000111.7L71 L90 I91 W92 C96 L97 I114 V117 L118 I121L71-L94 HydrophobicContact CB-CD2 4.06Å; L71-L94 HydrophobicContact CD1-CD2 3.95Å; L71-L94 HydrophobicContact CD1-CG 4.31Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 2.93Å; I91-L94 PolarHBondContact O-N 3.01Å; W92-L94 PolarHBondContact O-N 2.89Å; L94-C96 VanDerWaalsContact C-N 3.34Å; L94-C96 PolarHBondContact O-N 3.05Å; L94-L97 PolarHBondContact O-N 2.86Å; L94-L97 VanDerWaalsContact O-N 3.13Å; L94-I114 HydrophobicContact CB-CG2 4.09Å; L94-I114 HydrophobicContact CD2-CG2 4.39Å; L94-V117 HydrophobicContact CD1-CG1 3.86Å; L94-V117 HydrophobicContact CD2-CG1 4.36Å; L94-L118 HydrophobicContact CB-CD2 4.03Å; L94-L118 HydrophobicContact CB-CG 4.4Å; L94-L118 HydrophobicContact CD1-CD2 3.78Å; L94-L118 HydrophobicContact CD1-CG 4.23Å; L94-I121 HydrophobicContact CD1-CD1 3.63Å
95C73.4Confident71Confident63 Ų6362.3 Ų62.343%0.42632%0.315SS..Hα-helixtrans-64.2-35.5176.8-73.80000112.9I91 W92 L97 I98I91-C95 WeakPolarHBondContact O-CB 3.45Å; I91-C95 PolarHBondContact O-N 2.85Å; I91-C95 PolarHBondContact O-SG 2.98Å; W92-C95 PolarHBondContact O-N 2.96Å; C95-L97 PolarHBondContact O-N 3.07Å; C95-I98 PolarHBondContact O-N 2.87Å
96C74Confident71.1Confident47 Ų4760.7 Ų60.732%0.31832%0.318SS..Hα-helixtrans-62-25.8174.1-71.70000112.9Y49 L52 W92 C93 L94Y49-C96 VanDerWaalsContact CE2-SG 3.58Å; L52-C96 HydrophobicContact CB-CB 3.91Å; W92-C96 PolarHBondContact O-N 3.23Å; W92-C96 PolarHBondContact O-SG 2.91Å; W92-C96 VanDerWaalsContact O-SG 3.36Å; C93-C96 PolarHBondContact O-N 3.25Å; L94-C96 VanDerWaalsContact C-N 3.34Å; L94-C96 PolarHBondContact O-N 3.05Å
97L73.7Confident71.2Confident15 Ų1562.1 Ų62.18%0.07933%0.325CS..THydrogen-bonded Turntrans-86.1-8.9180-61.5176.2000113.5L52 V60 I67 L71 C93 L94 C95 N99 I114L52-L97 HydrophobicContact CD2-CD2 4.22Å; V60-L97 HydrophobicContact CG1-CD2 3.69Å; I67-L97 HydrophobicContact CG1-CD1 4.3Å; I67-L97 HydrophobicContact CG2-CD1 4.29Å; I67-L97 HydrophobicContact CG2-CD2 4.31Å; L71-L97 HydrophobicContact CD1-CD1 3.51Å; C93-L97 WeakPolarHBondContact O-CG 3.42Å; L94-L97 PolarHBondContact O-N 2.86Å; L94-L97 VanDerWaalsContact O-N 3.13Å; C95-L97 PolarHBondContact O-N 3.07Å; L97-N99 PolarHBondContact O-N 3.49Å; L97-I114 HydrophobicContact CB-CD1 3.59Å
98I72.8Confident71.1Confident58 Ų5863.4 Ų63.430%0.29734%0.338SS..  trans-75119.8178.9-62.1176.8000109.4C95 K100 I114 L118C95-I98 PolarHBondContact O-N 2.87Å; I98-K100 PolarHBondContact O-N 3.48Å; I98-I114 HydrophobicContact CD1-CG2 3.95Å; I98-I114 HydrophobicContact CG1-CB 4.37Å; I98-I114 HydrophobicContact CG1-CD1 4.05Å; I98-I114 HydrophobicContact CG1-CG2 3.71Å; I98-L118 HydrophobicContact CD1-CD1 4.26Å
99N67.4Low71.2Confident23 Ų2366.9 Ų66.912%0.12335%0.354CS..  trans-80.8115.9173.5-68.2-76.7000109.5S57 L97 E101 Q107 N111S57-N99 WeakPolarHBondContact CB-OD1 3.3Å; S57-N99 PolarHBondContact OG-OD1 3.44Å; L97-N99 PolarHBondContact O-N 3.49Å; N99-E101 PolarHBondContact O-N 3.27Å; N99-Q107 HydrophobicContact CB-CB 4.45Å; N99-N111 PolarHBondContact N-OD1 3.33Å; N99-N111 PolarHBondContact O-ND2 2.89Å
100K63.6Low71.1Confident206 Ų20669.5 Ų69.590%0.89637%0.367SS*.SBendtrans-62.4-30.6-179.3-66-177.5-179.6177.50113I98I98-K100 PolarHBondContact O-N 3.48Å
101E63.2Low70.7Confident146 Ų14670.3 Ų70.368%0.68237%0.372SS*.SBendtrans-12991.2175.6-68.2179.4-174.300109.1N99 Q103N99-E101 PolarHBondContact O-N 3.27Å; E101-Q103 PolarHBondContact O-N 3.33Å; E101-Q103 VanDerWaalsContact O-N 3.09Å
102P62.8Low70.6Confident62 Ų6271.2 Ų71.240%0.40338%0.382SS..  trans-70.5107.2-179.627.1-31.8000109.9Q107P102-Q107 HydrophobicContact CB-CB 3.98Å
103Q62.3Low70.7Confident152 Ų15269.9 Ų69.971%0.7138%0.377SS*.  trans-82.5-16-178.3-63.9-64.7-23.900112.5E101E101-Q103 PolarHBondContact O-N 3.33Å; E101-Q103 VanDerWaalsContact O-N 3.09Å
104N72Confident70.2Confident84 Ų8469.8 Ų69.845%0.44938%0.376SS..SBendtrans-138.4159.8-179.265.744.8000112.7G106 Q107 S108N104-G106 PolarHBondContact O-N 2.91Å; N104-G106 PolarHBondContact OD1-N 3.48Å; N104-Q107 PolarHBondContact O-N 2.99Å; N104-Q107 WeakPolarHBondContact OD1-CB 3.33Å; N104-Q107 VanDerWaalsContact OD1-CG 3.25Å; N104-Q107 WeakPolarHBondContact OD1-CG 3.4Å; N104-Q107 PolarHBondContact OD1-N 2.84Å; N104-S108 PolarHBondContact O-N 3.13Å; N104-S108 VanDerWaalsContact O-N 3.17Å
105S69.1Low69.7Low94 Ų9474.6 Ų74.666%0.65740%0.399SS*.Hα-helixtrans-63.3-23.5-179.461.40000113.2K109S105-K109 WeakPolarHBondContact O-CB 3.22Å; S105-K109 WeakPolarHBondContact O-CG 3.28Å; S105-K109 PolarHBondContact O-N 2.94Å; S105-K109 VanDerWaalsContact O-N 3.08Å
106G70.6Confident69.6Low42 Ų4273.7 Ų73.743%0.43340%0.4SS..Hα-helixtrans-68-45.6173.500000112.8N104 K109 L110N104-G106 PolarHBondContact O-N 2.91Å; N104-G106 PolarHBondContact OD1-N 3.48Å; G106-K109 PolarHBondContact O-N 2.99Å; G106-L110 WeakPolarHBondContact O-CB 3.39Å; G106-L110 PolarHBondContact O-N 3.08Å
107Q68.3Low69.4Low29 Ų2971.7 Ų71.714%0.13639%0.386CS..Hα-helixtrans-66.8-37.7176.9-74.1171.3-8.600111.4N99 P102 N104 L110 N111N99-Q107 HydrophobicContact CB-CB 4.45Å; P102-Q107 HydrophobicContact CB-CB 3.98Å; N104-Q107 PolarHBondContact O-N 2.99Å; N104-Q107 WeakPolarHBondContact OD1-CB 3.33Å; N104-Q107 VanDerWaalsContact OD1-CG 3.25Å; N104-Q107 WeakPolarHBondContact OD1-CG 3.4Å; N104-Q107 PolarHBondContact OD1-N 2.84Å; Q107-L110 PolarHBondContact O-N 3.41Å; Q107-N111 WeakPolarHBondContact O-CB 3.28Å; Q107-N111 VanDerWaalsContact O-CG 3.3Å; Q107-N111 PolarHBondContact O-N 3.48Å; Q107-N111 PolarHBondContact O-OD1 2.87Å
108S69.3Low69.1Low66 Ų6672.3 Ų72.346%0.46239%0.39SS..Hα-helixtrans-64.8-40.1173.1-173.90000112.2N104 N111 S112N104-S108 PolarHBondContact O-N 3.13Å; N104-S108 VanDerWaalsContact O-N 3.17Å; S108-N111 PolarHBondContact O-N 3.01Å; S108-S112 PolarHBondContact O-N 2.88Å; S108-S112 PolarHBondContact O-OG 3.19Å
109K73.9Confident68.6Low149 Ų14973 Ų7365%0.64840%0.399SS*.Hα-helixtrans-65.6-42.4174.3-78.5176.7-179.6-179.70111.6S105 G106 S112 W113S105-K109 WeakPolarHBondContact O-CB 3.22Å; S105-K109 WeakPolarHBondContact O-CG 3.28Å; S105-K109 PolarHBondContact O-N 2.94Å; S105-K109 VanDerWaalsContact O-N 3.08Å; G106-K109 PolarHBondContact O-N 2.99Å; K109-S112 WeakPolarHBondContact CA-OG 3.45Å; K109-S112 PolarHBondContact O-N 3.47Å; K109-S112 PolarHBondContact O-OG 3.43Å; K109-W113 WeakPolarHBondContact O-CB 3.4Å; K109-W113 PolarHBondContact O-N 3.49Å
110L70.3Confident68.6Low57 Ų5773.9 Ų73.930%0.29840%0.403SS..Hα-helixtrans-60.1-47.5175.2-17666.9000111G106 Q107 S112 W113 I114G106-L110 WeakPolarHBondContact O-CB 3.39Å; G106-L110 PolarHBondContact O-N 3.08Å; Q107-L110 PolarHBondContact O-N 3.41Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 3.25Å; L110-W113 HydrophobicContact CD1-CE3 3.92Å; L110-W113 HydrophobicContact CD1-CZ3 4.27Å; L110-W113 PolarHBondContact O-N 2.88Å; L110-I114 HydrophobicContact CD1-CD1 4.49Å; L110-I114 HydrophobicContact CG-CD1 3.99Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 3.25Å
111N72.2Confident68.5Low17 Ų1764.1 Ų64.19%0.09136%0.36CS..Hα-helixtrans-58.5-44.3175.3-74.74.2000111.5N99 Q107 S108 W113 I114 Q115N99-N111 PolarHBondContact N-OD1 3.33Å; N99-N111 PolarHBondContact O-ND2 2.89Å; Q107-N111 WeakPolarHBondContact O-CB 3.28Å; Q107-N111 VanDerWaalsContact O-CG 3.3Å; Q107-N111 PolarHBondContact O-N 3.48Å; Q107-N111 PolarHBondContact O-OD1 2.87Å; S108-N111 PolarHBondContact O-N 3.01Å; N111-W113 VanDerWaalsContact C-N 3.32Å; N111-W113 PolarHBondContact O-N 3.43Å; N111-I114 PolarHBondContact O-N 2.96Å; N111-Q115 WeakPolarHBondContact O-CB 3.44Å; N111-Q115 VanDerWaalsContact O-CG 3.24Å; N111-Q115 WeakPolarHBondContact O-CG 3.36Å; N111-Q115 PolarHBondContact O-N 3.03Å
112S70.6Confident68.2Low65 Ų6559.7 Ų59.746%0.45534%0.341SS..Hα-helixtrans-64.4-35.7177.670.90000113S108 K109 L110 G116S108-S112 PolarHBondContact O-N 2.88Å; S108-S112 PolarHBondContact O-OG 3.19Å; K109-S112 WeakPolarHBondContact CA-OG 3.45Å; K109-S112 PolarHBondContact O-N 3.47Å; K109-S112 PolarHBondContact O-OG 3.43Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 3.25Å; S112-G116 PolarHBondContact O-N 3.3Å
113W81.1Confident67.8Low91 Ų9160.6 Ų60.635%0.34535%0.349SS..Hα-helixtrans-69.9-45174.7170.184.1000111.5G68 A72 K109 L110 N111 Q115 G116 V117G68-W113 WeakPolarHBondContact O-CH2 3.47Å; G68-W113 WeakPolarHBondContact O-CZ2 3.16Å; A72-W113 HydrophobicContact CB-CZ2 3.9Å; K109-W113 WeakPolarHBondContact O-CB 3.4Å; K109-W113 PolarHBondContact O-N 3.49Å; L110-W113 HydrophobicContact CD1-CE3 3.92Å; L110-W113 HydrophobicContact CD1-CZ3 4.27Å; L110-W113 PolarHBondContact O-N 2.88Å; N111-W113 VanDerWaalsContact C-N 3.32Å; N111-W113 PolarHBondContact O-N 3.43Å; W113-Q115 VanDerWaalsContact C-N 3.28Å; W113-Q115 PolarHBondContact O-N 2.88Å; W113-G116 WeakPolarHBondContact O-CA 3.49Å; W113-G116 PolarHBondContact O-N 3.18Å; W113-G116 VanDerWaalsContact O-N 3.08Å; W113-V117 HydrophobicContact CD2-CG2 4.25Å; W113-V117 HydrophobicContact CH2-CG2 4.45Å; W113-V117 HydrophobicContact CZ2-CG2 3.95Å; W113-V117 WeakPolarHBondContact O-CG2 3.34Å; W113-V117 PolarHBondContact O-N 3.36Å
114I67.8Low67.3Low0 Ų055.9 Ų55.90%034%0.336CS..Hα-helixtrans-57.6-44.9175-67.3166000109.9L94 L97 I98 L110 N111 G116 V117 L118L94-I114 HydrophobicContact CB-CG2 4.09Å; L94-I114 HydrophobicContact CD2-CG2 4.39Å; L97-I114 HydrophobicContact CB-CD1 3.59Å; I98-I114 HydrophobicContact CD1-CG2 3.95Å; I98-I114 HydrophobicContact CG1-CB 4.37Å; I98-I114 HydrophobicContact CG1-CD1 4.05Å; I98-I114 HydrophobicContact CG1-CG2 3.71Å; L110-I114 HydrophobicContact CD1-CD1 4.49Å; L110-I114 HydrophobicContact CG-CD1 3.99Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 3.25Å; N111-I114 PolarHBondContact O-N 2.96Å; I114-G116 VanDerWaalsContact C-N 3.32Å; I114-G116 PolarHBondContact O-N 2.99Å; I114-V117 PolarHBondContact O-N 3.21Å; I114-L118 HydrophobicContact CG2-CD1 3.9Å; I114-L118 HydrophobicContact CG2-CG 4.25Å; I114-L118 WeakPolarHBondContact O-CB 3.44Å; I114-L118 WeakPolarHBondContact O-CG 3.33Å; I114-L118 PolarHBondContact O-N 2.96Å
115Q66.1Low66.3Low101 Ų10154 Ų5447%0.47233%0.326SS..Hα-helixtrans-59.3-41.8175.5-75.1172-11.300112.1N111 W113 L118 S119N111-Q115 WeakPolarHBondContact O-CB 3.44Å; N111-Q115 VanDerWaalsContact O-CG 3.24Å; N111-Q115 WeakPolarHBondContact O-CG 3.36Å; N111-Q115 PolarHBondContact O-N 3.03Å; W113-Q115 VanDerWaalsContact C-N 3.28Å; W113-Q115 PolarHBondContact O-N 2.88Å; Q115-L118 PolarHBondContact O-N 3.46Å; Q115-S119 WeakPolarHBondContact O-CB 3.21Å; Q115-S119 PolarHBondContact O-N 3.37Å
116G70.6Confident65.1Low43 Ų4360.6 Ų60.644%0.44334%0.336SS..Hα-helixtrans-62.5-40.7174.400000113.3S112 W113 I114 S119 H120S112-G116 PolarHBondContact O-N 3.3Å; W113-G116 WeakPolarHBondContact O-CA 3.49Å; W113-G116 PolarHBondContact O-N 3.18Å; W113-G116 VanDerWaalsContact O-N 3.08Å; I114-G116 VanDerWaalsContact C-N 3.32Å; I114-G116 PolarHBondContact O-N 2.99Å; G116-S119 PolarHBondContact O-N 3.32Å; G116-H120 PolarHBondContact O-N 3.03Å
117V70.8Confident63.7Low6 Ų666 Ų664%0.03635%0.348CS..Hα-helixtrans-69.9-42.4177.3177.60000111.4C75 L94 W113 I114 S119 H120 I121C75-V117 HydrophobicContact CB-CG1 3.77Å; L94-V117 HydrophobicContact CD1-CG1 3.86Å; L94-V117 HydrophobicContact CD2-CG1 4.36Å; W113-V117 HydrophobicContact CD2-CG2 4.25Å; W113-V117 HydrophobicContact CH2-CG2 4.45Å; W113-V117 HydrophobicContact CZ2-CG2 3.95Å; W113-V117 WeakPolarHBondContact O-CG2 3.34Å; W113-V117 PolarHBondContact O-N 3.36Å; I114-V117 PolarHBondContact O-N 3.21Å; V117-S119 VanDerWaalsContact C-N 3.34Å; V117-S119 PolarHBondContact O-N 2.85Å; V117-H120 WeakPolarHBondContact O-CB 3.39Å; V117-H120 PolarHBondContact O-N 3.06Å; V117-H120 VanDerWaalsContact O-N 3.13Å; V117-I121 HydrophobicContact CG1-CD1 4.3Å; V117-I121 WeakPolarHBondContact O-CG1 3.28Å; V117-I121 PolarHBondContact O-N 3.42Å
118L66.4Low62.8Low28 Ų2865.9 Ų65.915%0.14735%0.349CS..Hα-helixtrans-60.4-44.9173.4-73.6172.1000111I91 L94 I98 I114 Q115 H120 I121 L122I91-L118 HydrophobicContact CB-CD2 4.4Å; I91-L118 HydrophobicContact CG1-CD2 4.19Å; I91-L118 HydrophobicContact CG2-CD2 4.12Å; L94-L118 HydrophobicContact CB-CD2 4.03Å; L94-L118 HydrophobicContact CB-CG 4.4Å; L94-L118 HydrophobicContact CD1-CD2 3.78Å; L94-L118 HydrophobicContact CD1-CG 4.23Å; I98-L118 HydrophobicContact CD1-CD1 4.26Å; I114-L118 HydrophobicContact CG2-CD1 3.9Å; I114-L118 HydrophobicContact CG2-CG 4.25Å; I114-L118 WeakPolarHBondContact O-CB 3.44Å; I114-L118 WeakPolarHBondContact O-CG 3.33Å; I114-L118 PolarHBondContact O-N 2.96Å; Q115-L118 PolarHBondContact O-N 3.46Å; L118-H120 VanDerWaalsContact C-N 3.25Å; L118-H120 PolarHBondContact O-N 3.09Å; L118-I121 PolarHBondContact O-N 2.9Å; L118-L122 WeakPolarHBondContact O-CB 3.49Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 3.24Å
119S63.2Low61.9Low72 Ų7271.4 Ų71.450%0.50336%0.364SS..Hα-helixtrans-59.9-36.1174.5-176.90000112.2Q115 G116 V117 S123Q115-S119 WeakPolarHBondContact O-CB 3.21Å; Q115-S119 PolarHBondContact O-N 3.37Å; G116-S119 PolarHBondContact O-N 3.32Å; V117-S119 VanDerWaalsContact C-N 3.34Å; V117-S119 PolarHBondContact O-N 2.85Å; S119-S123 WeakPolarHBondContact O-CB 3.15Å; S119-S123 PolarHBondContact O-N 2.76Å; S119-S123 PolarHBondContact O-OG 3.48Å
120H67.4Low60.5Low42 Ų4268.6 Ų68.619%0.19435%0.353CS..Hα-helixtrans-65.5-49.7175.7172.5-98.7000111.5C75 W76 G116 V117 L118 L122 S123 A124C75-H120 PolarHBondContact O-CE1 3.29Å; C75-H120 PolarHBondContact O-ND1 3.17Å; W76-H120 AromaticContact CD2-CE1 3.79Å; W76-H120 AromaticContact CE3-CD2 3.97Å; W76-H120 AromaticContact CE3-CE1 3.35Å; W76-H120 AromaticContact CE3-ND1 3.96Å; W76-H120 AromaticContact CE3-NE2 3.35Å; W76-H120 HydrophobicContact CH2-CB 4.41Å; W76-H120 AromaticContact CH2-CD2 3.23Å; W76-H120 WeakPolarHBondContact CH2-CD2 3.39Å; W76-H120 AromaticContact CH2-CG 3.65Å; W76-H120 AromaticContact CH2-NE2 3.52Å; W76-H120 HydrophobicContact CZ2-CB 4.31Å; W76-H120 AromaticContact CZ2-CD2 3.89Å; W76-H120 AromaticContact CZ2-CG 3.82Å; W76-H120 AromaticContact CZ3-CD2 3.29Å; W76-H120 WeakPolarHBondContact CZ3-CD2 3.39Å; W76-H120 AromaticContact CZ3-CE1 3.5Å; W76-H120 AromaticContact CZ3-CG 3.93Å; W76-H120 AromaticContact CZ3-NE2 3Å; W76-H120 WeakPolarHBondContact CZ3-NE2 3.04Å; G116-H120 PolarHBondContact O-N 3.03Å; V117-H120 WeakPolarHBondContact O-CB 3.39Å; V117-H120 PolarHBondContact O-N 3.06Å; V117-H120 VanDerWaalsContact O-N 3.13Å; L118-H120 VanDerWaalsContact C-N 3.25Å; L118-H120 PolarHBondContact O-N 3.09Å; H120-L122 PolarHBondContact O-N 2.9Å; H120-S123 WeakPolarHBondContact CA-OG 3.32Å; H120-S123 PolarHBondContact O-N 3.29Å; H120-S123 PolarHBondContact O-OG 3.45Å; H120-A124 WeakPolarHBondContact O-CB 3.48Å; H120-A124 PolarHBondContact O-N 2.92Å
121I60.8Low59.3Low1 Ų166 Ų661%0.00534%0.34CS..Hα-helixtrans-56.4-52.8177-61.6165.5000109.4C75 L81 I91 L94 V117 L118 S123 A124 L125C75-I121 HydrophobicContact CB-CD1 3.87Å; C75-I121 HydrophobicContact CB-CG1 3.9Å; C75-I121 WeakPolarHBondContact SG-CD1 3.45Å; L81-I121 HydrophobicContact CD2-CG1 4.43Å; L81-I121 HydrophobicContact CD2-CG2 4.23Å; I91-I121 HydrophobicContact CD1-CG2 4.35Å; I91-I121 HydrophobicContact CG1-CG2 4.42Å; L94-I121 HydrophobicContact CD1-CD1 3.63Å; V117-I121 HydrophobicContact CG1-CD1 4.3Å; V117-I121 WeakPolarHBondContact O-CG1 3.28Å; V117-I121 PolarHBondContact O-N 3.42Å; L118-I121 PolarHBondContact O-N 2.9Å; I121-S123 VanDerWaalsContact C-N 3.32Å; I121-S123 PolarHBondContact O-N 3.23Å; I121-A124 WeakPolarHBondContact O-CB 3.46Å; I121-A124 PolarHBondContact O-N 3.44Å; I121-L125 HydrophobicContact CG2-CD1 4.41Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.33Å; I121-L125 PolarHBondContact O-N 2.94Å; I121-L125 VanDerWaalsContact O-N 3.13Å
122L56.4Low58.1Low52 Ų5266.9 Ų66.927%0.27235%0.349SS..Hα-helixtrans-57.1-42.4178.5-69.1173.9000112.4L118 H120 A124 L125 D128L118-L122 WeakPolarHBondContact O-CB 3.49Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 3.24Å; H120-L122 PolarHBondContact O-N 2.9Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.32Å; L122-L125 HydrophobicContact CD2-CD1 3.93Å; L122-L125 WeakPolarHBondContact O-CB 3.12Å; L122-L125 PolarHBondContact O-N 2.88Å; L122-D128 WeakPolarHBondContact CA-OD2 3.47Å; L122-D128 VanDerWaalsContact CB-OD2 3.27Å; L122-D128 WeakPolarHBondContact CB-OD2 3.19Å; L122-D128 WeakPolarHBondContact CD2-OD2 3.41Å; L122-D128 VanDerWaalsContact O-OD2 3.09Å
123S55.3Low57Low81 Ų8168.7 Ų68.757%0.56635%0.353SS*.Hα-helixtrans-66.7-32.3176.176.40000113.8S119 H120 I121 L125S119-S123 WeakPolarHBondContact O-CB 3.15Å; S119-S123 PolarHBondContact O-N 2.76Å; S119-S123 PolarHBondContact O-OG 3.48Å; H120-S123 WeakPolarHBondContact CA-OG 3.32Å; H120-S123 PolarHBondContact O-N 3.29Å; H120-S123 PolarHBondContact O-OG 3.45Å; I121-S123 VanDerWaalsContact C-N 3.32Å; I121-S123 PolarHBondContact O-N 3.23Å; S123-L125 VanDerWaalsContact C-N 3.32Å
124A51.3Low55.3Low54 Ų5464.3 Ų64.345%0.44634%0.337SS..Hα-helixtrans-75.9-20.2178.200000112.5L81 H120 I121 L122 R126L81-A124 HydrophobicContact CD1-CB 4.46Å; H120-A124 WeakPolarHBondContact O-CB 3.48Å; H120-A124 PolarHBondContact O-N 2.92Å; I121-A124 WeakPolarHBondContact O-CB 3.46Å; I121-A124 PolarHBondContact O-N 3.44Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.32Å; A124-R126 PolarHBondContact O-N 2.65Å
125L50.6Low54.3Low45 Ų4565 Ų6524%0.23634%0.341CS..THydrogen-bonded Turntrans-69.7-8.3-176.4-72.1167.8000115.2Q87 I121 L122 S123 F127Q87-L125 HydrophobicContact CG-CD2 4.26Å; I121-L125 HydrophobicContact CG2-CD1 4.41Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.33Å; I121-L125 PolarHBondContact O-N 2.94Å; I121-L125 VanDerWaalsContact O-N 3.13Å; L122-L125 HydrophobicContact CD2-CD1 3.93Å; L122-L125 WeakPolarHBondContact O-CB 3.12Å; L122-L125 PolarHBondContact O-N 2.88Å; S123-L125 VanDerWaalsContact C-N 3.32Å; L125-F127 WeakPolarHBondContact O-CD2 3.46Å; L125-F127 PolarHBondContact O-N 3.4Å
126R43.3Very low53.6Low232 Ų23266.4 Ų66.488%0.87535%0.348SS*.SBendtrans35.349.2-178-77.2-144.4-175-156.55.1113.9A124A124-R126 PolarHBondContact O-N 2.65Å
127F41.4Very low52.1Low155 Ų15566.9 Ų66.968%0.6835%0.353SS*.SBendtrans-137.3-6.1159.2-79.4-80.7000111.7L125L125-F127 WeakPolarHBondContact O-CD2 3.46Å; L125-F127 PolarHBondContact O-N 3.4Å
128D50Low50.8Low27 Ų2768.3 Ų68.314%0.14436%0.36CS..Hα-helixtrans-92.2-17.7-168-97.1-31000116.7L122 E130 A132L122-D128 WeakPolarHBondContact CA-OD2 3.47Å; L122-D128 VanDerWaalsContact CB-OD2 3.27Å; L122-D128 WeakPolarHBondContact CB-OD2 3.19Å; L122-D128 WeakPolarHBondContact CD2-OD2 3.41Å; L122-D128 VanDerWaalsContact O-OD2 3.09Å; D128-E130 VanDerWaalsContact C-N 3.26Å; D128-E130 PolarHBondContact O-N 3.16Å; D128-A132 WeakPolarHBondContact O-CB 3.3Å; D128-A132 PolarHBondContact O-N 3.49Å
129K49.7Very low49.7Very low181 Ų18170.4 Ų70.479%0.78739%0.388SS*.Hα-helixtrans-63.9-36.3178.8-102.9-174.8178.5-1780111.8L133K129-L133 VanDerWaalsContact O-CB 3.32Å; K129-L133 WeakPolarHBondContact O-CB 3.37Å; K129-L133 WeakPolarHBondContact O-CD1 3.48Å; K129-L133 WeakPolarHBondContact O-CG 3.45Å; K129-L133 PolarHBondContact O-N 3.39Å
130E44.9Very low48.5Very low90 Ų9072.7 Ų72.742%0.42139%0.386SS..Hα-helixtrans-80.4-38.7-174.6-63.5169.7179.400111.2D128 L133 F134 P189 L190D128-E130 VanDerWaalsContact C-N 3.26Å; D128-E130 PolarHBondContact O-N 3.16Å; E130-L133 PolarHBondContact O-N 3.33Å; E130-F134 WeakPolarHBondContact O-CB 3.36Å; E130-F134 PolarHBondContact O-N 3.28Å; E130-P189 HydrophobicContact CB-CB 3.99Å; E130-P189 HydrophobicContact CB-CG 4.23Å; E130-P189 HydrophobicContact CG-CB 3.72Å; E130-P189 HydrophobicContact CG-CG 4.3Å; E130-L190 HydrophobicContact CB-CD2 3.54Å
131V45.1Very low47.5Very low4 Ų473.3 Ų73.32%0.02440%0.399CS..Hα-helixtrans-72.1-36.2175-176.80000111.3F134 T135 Y145 L150 L190 L193V131-F134 PolarHBondContact O-N 2.83Å; V131-T135 WeakPolarHBondContact O-CG2 3.47Å; V131-T135 PolarHBondContact O-N 3.29Å; V131-T135 PolarHBondContact O-OG1 3.09Å; V131-Y145 HydrophobicContact CG1-CD2 4.12Å; V131-Y145 HydrophobicContact CG1-CE2 3.65Å; V131-L150 HydrophobicContact CG1-CD1 4.43Å; V131-L150 HydrophobicContact CG1-CD2 4.32Å; V131-L190 HydrophobicContact CG2-CD2 3.8Å; V131-L193 HydrophobicContact CG2-CD1 4Å
132A48.4Very low46.6Very low34 Ų3477.6 Ų77.628%0.28143%0.427SS..Hα-helixtrans-65.7-40.8171.200000112D128 F134 T135 Q136D128-A132 WeakPolarHBondContact O-CB 3.3Å; D128-A132 PolarHBondContact O-N 3.49Å; A132-F134 VanDerWaalsContact C-N 3.28Å; A132-F134 PolarHBondContact O-N 3.22Å; A132-T135 WeakPolarHBondContact CA-OG1 3.44Å; A132-T135 PolarHBondContact O-OG1 3.48Å; A132-Q136 WeakPolarHBondContact O-CB 3.41Å; A132-Q136 PolarHBondContact O-N 2.93Å
133L46.1Very low45.8Very low103 Ų10381.8 Ų81.854%0.53945%0.448SS..Hα-helixtrans-64.8-32.8172.2-75.2167.8000111.9K129 E130 G137K129-L133 VanDerWaalsContact O-CB 3.32Å; K129-L133 WeakPolarHBondContact O-CB 3.37Å; K129-L133 WeakPolarHBondContact O-CD1 3.48Å; K129-L133 WeakPolarHBondContact O-CG 3.45Å; K129-L133 PolarHBondContact O-N 3.39Å; E130-L133 PolarHBondContact O-N 3.33Å; L133-G137 PolarHBondContact O-N 3Å
134F46.2Very low45.1Very low0 Ų082.2 Ų82.20%044%0.444CS..Hα-helixtrans-71.4-47.6176.4174.5-92.7000114E130 V131 A132 Q136 G137 L138 L150 L157 V186 L190 L199E130-F134 WeakPolarHBondContact O-CB 3.36Å; E130-F134 PolarHBondContact O-N 3.28Å; V131-F134 PolarHBondContact O-N 2.83Å; A132-F134 VanDerWaalsContact C-N 3.28Å; A132-F134 PolarHBondContact O-N 3.22Å; F134-Q136 VanDerWaalsContact C-N 3.33Å; F134-Q136 PolarHBondContact O-N 3.46Å; F134-G137 PolarHBondContact O-N 3.27Å; F134-L138 HydrophobicContact CD1-CD1 3.81Å; F134-L138 HydrophobicContact CD2-CD1 4.42Å; F134-L138 HydrophobicContact CE1-CD1 3.43Å; F134-L138 VanDerWaalsContact CE1-CD1 3.43Å; F134-L138 HydrophobicContact CE2-CD1 4.08Å; F134-L138 HydrophobicContact CG-CD1 4.29Å; F134-L138 HydrophobicContact CZ-CD1 3.57Å; F134-L138 WeakPolarHBondContact O-CB 3.26Å; F134-L138 WeakPolarHBondContact O-CD1 3.29Å; F134-L138 VanDerWaalsContact O-CG 3.27Å; F134-L138 WeakPolarHBondContact O-CG 3.36Å; F134-L138 PolarHBondContact O-N 3.43Å; F134-L138 VanDerWaalsContact O-N 3.17Å; F134-L150 HydrophobicContact CD1-CD1 4.13Å; F134-L150 HydrophobicContact CE1-CD1 3.85Å; F134-L157 HydrophobicContact CZ-CD1 4.15Å; F134-V186 HydrophobicContact CB-CG1 3.71Å; F134-V186 HydrophobicContact CD2-CB 4.41Å; F134-V186 HydrophobicContact CD2-CG1 3.58Å; F134-V186 HydrophobicContact CG-CG1 4.03Å; F134-L190 HydrophobicContact CB-CD1 3.33Å; F134-L190 HydrophobicContact CD1-CD1 4.02Å; F134-L190 HydrophobicContact CD2-CD1 3.5Å; F134-L190 HydrophobicContact CE2-CD1 4.29Å; F134-L190 HydrophobicContact CG-CD1 3.36Å; F134-L199 HydrophobicContact CE2-CD2 3.81Å; F134-L199 HydrophobicContact CZ-CD2 3.67Å
135T46.2Very low44.6Very low15 Ų1583.8 Ų83.89%0.09244%0.439CS..Hα-helixtrans-62.1-40.6173.150.30000111.4V131 A132 L138 G139 Y140 M153V131-T135 WeakPolarHBondContact O-CG2 3.47Å; V131-T135 PolarHBondContact O-N 3.29Å; V131-T135 PolarHBondContact O-OG1 3.09Å; A132-T135 WeakPolarHBondContact CA-OG1 3.44Å; A132-T135 PolarHBondContact O-OG1 3.48Å; T135-L138 PolarHBondContact O-N 3.16Å; T135-G139 PolarHBondContact O-N 2.86Å; T135-Y140 CarbonylContact C-O 3.59Å; T135-Y140 PolarHBondContact O-N 2.87Å; T135-M153 HydrophobicContact CG2-CE 4.21Å
136Q51.6Low44.3Very low130 Ų13090 Ų9061%0.60746%0.461SS*.Hα-helixtrans-64.7-42.4174.5-173.5178.617.500112.7A132 F134 L138 G139A132-Q136 WeakPolarHBondContact O-CB 3.41Å; A132-Q136 PolarHBondContact O-N 2.93Å; F134-Q136 VanDerWaalsContact C-N 3.33Å; F134-Q136 PolarHBondContact O-N 3.46Å; Q136-L138 PolarHBondContact O-N 3.47Å; Q136-G139 PolarHBondContact O-N 3.16Å; Q136-G139 VanDerWaalsContact O-N 3.15Å
137G39.7Very low44.3Very low53 Ų5382.7 Ų82.755%0.54644%0.443SS..Hα-helixtrans-64.4-18.8175.900000113.9L133 F134L133-G137 PolarHBondContact O-N 3Å; F134-G137 PolarHBondContact O-N 3.27Å
138L43.8Very low44.6Very low35 Ų3577 Ų7718%0.18343%0.428CS..THydrogen-bonded Turntrans-98-4.6177-72.4171.6000114F134 T135 Q136 Y140 M153 L157 L183F134-L138 HydrophobicContact CD1-CD1 3.81Å; F134-L138 HydrophobicContact CD2-CD1 4.42Å; F134-L138 HydrophobicContact CE1-CD1 3.43Å; F134-L138 VanDerWaalsContact CE1-CD1 3.43Å; F134-L138 HydrophobicContact CE2-CD1 4.08Å; F134-L138 HydrophobicContact CG-CD1 4.29Å; F134-L138 HydrophobicContact CZ-CD1 3.57Å; F134-L138 WeakPolarHBondContact O-CB 3.26Å; F134-L138 WeakPolarHBondContact O-CD1 3.29Å; F134-L138 VanDerWaalsContact O-CG 3.27Å; F134-L138 WeakPolarHBondContact O-CG 3.36Å; F134-L138 PolarHBondContact O-N 3.43Å; F134-L138 VanDerWaalsContact O-N 3.17Å; T135-L138 PolarHBondContact O-N 3.16Å; Q136-L138 PolarHBondContact O-N 3.47Å; L138-Y140 HydrophobicContact CB-CD2 3.71Å; L138-Y140 HydrophobicContact CB-CE2 4.03Å; L138-M153 HydrophobicContact CD1-CE 3.67Å; L138-L157 HydrophobicContact CD1-CD1 3.69Å; L138-L157 HydrophobicContact CD2-CD1 3.91Å; L138-L157 HydrophobicContact CD2-CD2 4.18Å; L138-L157 HydrophobicContact CG-CD1 4.47Å; L138-L183 HydrophobicContact CD2-CD2 3.43Å; L138-L183 VanDerWaalsContact CD2-CD2 3.43Å; L138-L183 HydrophobicContact CD2-CG 4.47Å; L138-L183 HydrophobicContact CG-CD2 4.4Å
139G41.6Very low44.7Very low72 Ų7278.5 Ų78.574%0.74244%0.436SS*.THydrogen-bonded Turntrans89.413.7-179.400000115.9T135 Q136T135-G139 PolarHBondContact O-N 2.86Å; Q136-G139 PolarHBondContact O-N 3.16Å; Q136-G139 VanDerWaalsContact O-N 3.15Å
140Y39.9Very low44.9Very low120 Ų12070.1 Ų70.147%0.47140%0.4SS..  trans-99146.5178.5-64.1-86.5000112T135 L138 M153T135-Y140 CarbonylContact C-O 3.59Å; T135-Y140 PolarHBondContact O-N 2.87Å; L138-Y140 HydrophobicContact CB-CD2 3.71Å; L138-Y140 HydrophobicContact CB-CE2 4.03Å; Y140-M153 HydrophobicContact CD2-CE 3.41Å; Y140-M153 VanDerWaalsContact CD2-CE 3.41Å; Y140-M153 HydrophobicContact CD2-SD 4.43Å; Y140-M153 HydrophobicContact CE2-CE 3.65Å; Y140-M153 HydrophobicContact CG-CE 4.01Å
141A45.4Very low45.8Very low55 Ų5571 Ų7146%0.45540%0.402SS..  trans-82.6144179.600000111.4I143 D144A141-I143 PolarHBondContact O-N 3.44Å; A141-D144 PolarHBondContact O-N 3.48Å
142P41.8Very low46.5Very low91 Ų9175.8 Ų75.859%0.59143%0.428SS*.G310 helixtrans-60.1-15.3-177.2-25.834.4000116D144P142-D144 VanDerWaalsContact C-N 3.31Å; P142-D144 PolarHBondContact O-N 3.12Å
143I40.4Very low47.2Very low141 Ų14174.8 Ų74.872%0.72342%0.417SS*.G310 helixtrans-74.1-16.8-177-87.7164.5000113.4A141A141-I143 PolarHBondContact O-N 3.44Å
144D39.7Very low48.4Very low90 Ų9069.9 Ų69.948%0.48139%0.392SS..G310 helixtrans-92.68.9-173.5-61.7-42.6000113.8A141 P142 Y146 L149A141-D144 PolarHBondContact O-N 3.48Å; P142-D144 VanDerWaalsContact C-N 3.31Å; P142-D144 PolarHBondContact O-N 3.12Å; D144-Y146 PolarHBondContact O-N 3.2Å; D144-L149 HydrophobicContact CB-CD2 3.88Å; D144-L149 WeakPolarHBondContact O-CD2 3.32Å
145Y40.3Very low49.8Very low87 Ų8773.8 Ų73.834%0.34141%0.412SS..  trans-65.8104.7-173.4-176-113.9000113V131 L150V131-Y145 HydrophobicContact CG1-CD2 4.12Å; V131-Y145 HydrophobicContact CG1-CE2 3.65Å; Y145-L150 HydrophobicContact CE2-CB 4.43Å
146Y44.7Very low51Low176 Ų17676.3 Ų76.369%0.6943%0.43SS*.  trans-116.7135.3162-118.4-99.8000106.9D144 G148 L149 L150D144-Y146 PolarHBondContact O-N 3.2Å; Y146-G148 PolarHBondContact O-N 3.46Å; Y146-G148 VanDerWaalsContact O-N 3.14Å; Y146-L149 CarbonylContact O-C 3.58Å; Y146-L149 VanDerWaalsContact O-CA 3.29Å; Y146-L149 WeakPolarHBondContact O-CA 3.42Å; Y146-L149 VanDerWaalsContact O-CB 3.24Å; Y146-L149 WeakPolarHBondContact O-CB 3.42Å; Y146-L149 PolarHBondContact O-N 2.75Å; Y146-L150 PolarHBondContact O-N 3.1Å
147P44.7Very low52Low78 Ų7870.6 Ų70.651%0.50640%0.404SS..Hα-helixtrans-54.5-32.5171.2-27.935.3000112.6L150 K151P147-L150 PolarHBondContact O-N 2.84Å; P147-K151 WeakPolarHBondContact O-CB 3.18Å; P147-K151 PolarHBondContact O-N 3.39Å; P147-K151 VanDerWaalsContact O-N 3.11Å
148G46.5Very low54Low36 Ų3668.3 Ų68.337%0.37138%0.38SS..Hα-helixtrans-65.9-32.1169.300000114Y146 N152Y146-G148 PolarHBondContact O-N 3.46Å; Y146-G148 VanDerWaalsContact O-N 3.14Å; G148-N152 VanDerWaalsContact O-CB 3.29Å; G148-N152 WeakPolarHBondContact O-CB 3.3Å; G148-N152 PolarHBondContact O-N 2.77Å; G148-N152 PolarHBondContact O-ND2 3.28Å; G148-N152 VanDerWaalsContact O-ND2 3.1Å
149L51.3Low55.8Low57 Ų5769.3 Ų69.330%0.29839%0.389SS..Hα-helixtrans-70.5-46174-175.170000111D144 Y146 K151 N152 M153D144-L149 HydrophobicContact CB-CD2 3.88Å; D144-L149 WeakPolarHBondContact O-CD2 3.32Å; Y146-L149 CarbonylContact O-C 3.58Å; Y146-L149 VanDerWaalsContact O-CA 3.29Å; Y146-L149 WeakPolarHBondContact O-CA 3.42Å; Y146-L149 VanDerWaalsContact O-CB 3.24Å; Y146-L149 WeakPolarHBondContact O-CB 3.42Å; Y146-L149 PolarHBondContact O-N 2.75Å; L149-K151 VanDerWaalsContact C-N 3.33Å; L149-K151 PolarHBondContact O-N 3.3Å; L149-N152 CarbonylContact O-C 3.58Å; L149-N152 PolarHBondContact O-N 3.17Å; L149-M153 HydrophobicContact CD1-CG 4.28Å; L149-M153 HydrophobicContact CD1-SD 4.45Å; L149-M153 HydrophobicContact CD2-SD 4.08Å; L149-M153 HydrophobicContact CG-CG 4.13Å; L149-M153 HydrophobicContact CG-SD 3.8Å; L149-M153 WeakPolarHBondContact O-CB 3.4Å; L149-M153 WeakPolarHBondContact O-CG 3.44Å; L149-M153 PolarHBondContact O-N 3.02Å
150L54.3Low57.4Low6 Ų668.2 Ų68.23%0.03137%0.365CS..Hα-helixtrans-57-48.6176.2177.863.3000110.6V131 F134 Y145 Y146 P147 N152 M153 V154V131-L150 HydrophobicContact CG1-CD1 4.43Å; V131-L150 HydrophobicContact CG1-CD2 4.32Å; F134-L150 HydrophobicContact CD1-CD1 4.13Å; F134-L150 HydrophobicContact CE1-CD1 3.85Å; Y145-L150 HydrophobicContact CE2-CB 4.43Å; Y146-L150 PolarHBondContact O-N 3.1Å; P147-L150 PolarHBondContact O-N 2.84Å; L150-N152 PolarHBondContact O-N 3.34Å; L150-M153 WeakPolarHBondContact O-CB 3.42Å; L150-M153 PolarHBondContact O-N 2.99Å; L150-V154 HydrophobicContact CD1-CG2 4.1Å; L150-V154 HydrophobicContact CG-CG2 4.37Å; L150-V154 WeakPolarHBondContact O-CB 3.3Å; L150-V154 VanDerWaalsContact O-CG2 3.29Å; L150-V154 WeakPolarHBondContact O-CG2 3.48Å; L150-V154 PolarHBondContact O-N 3.34Å
151K63.5Low59.2Low108 Ų10862.5 Ų62.547%0.4734%0.343SS..Hα-helixtrans-58.7-45.9176-174.6172.5-177.9170.10112.3P147 L149 M153 V154 L155P147-K151 WeakPolarHBondContact O-CB 3.18Å; P147-K151 PolarHBondContact O-N 3.39Å; P147-K151 VanDerWaalsContact O-N 3.11Å; L149-K151 VanDerWaalsContact C-N 3.33Å; L149-K151 PolarHBondContact O-N 3.3Å; K151-M153 VanDerWaalsContact C-N 3.34Å; K151-M153 PolarHBondContact O-N 2.87Å; K151-V154 PolarHBondContact O-N 2.96Å; K151-L155 HydrophobicContact CG-CD1 4.06Å; K151-L155 WeakPolarHBondContact O-CB 3.29Å; K151-L155 WeakPolarHBondContact O-CG 3.46Å; K151-L155 PolarHBondContact O-N 3.48Å
152N59.6Low60.7Low105 Ų10564.6 Ų64.656%0.56134%0.339SS*.Hα-helixtrans-65.8-36.4177.4-71.3-19.9000112.4G148 L149 L150 S156G148-N152 VanDerWaalsContact O-CB 3.29Å; G148-N152 WeakPolarHBondContact O-CB 3.3Å; G148-N152 PolarHBondContact O-N 2.77Å; G148-N152 PolarHBondContact O-ND2 3.28Å; G148-N152 VanDerWaalsContact O-ND2 3.1Å; L149-N152 CarbonylContact O-C 3.58Å; L149-N152 PolarHBondContact O-N 3.17Å; L150-N152 PolarHBondContact O-N 3.34Å; N152-S156 WeakPolarHBondContact O-CB 3.37Å; N152-S156 PolarHBondContact O-N 3.21Å
153M63.1Low61.8Low12 Ų1264.5 Ų64.56%0.05933%0.33CS..Hα-helixtrans-67.1-48.5175.7-75.1174.562.700111.3T135 L138 Y140 L149 L150 K151 L155 S156 L157T135-M153 HydrophobicContact CG2-CE 4.21Å; L138-M153 HydrophobicContact CD1-CE 3.67Å; Y140-M153 HydrophobicContact CD2-CE 3.41Å; Y140-M153 VanDerWaalsContact CD2-CE 3.41Å; Y140-M153 HydrophobicContact CD2-SD 4.43Å; Y140-M153 HydrophobicContact CE2-CE 3.65Å; Y140-M153 HydrophobicContact CG-CE 4.01Å; L149-M153 HydrophobicContact CD1-CG 4.28Å; L149-M153 HydrophobicContact CD1-SD 4.45Å; L149-M153 HydrophobicContact CD2-SD 4.08Å; L149-M153 HydrophobicContact CG-CG 4.13Å; L149-M153 HydrophobicContact CG-SD 3.8Å; L149-M153 WeakPolarHBondContact O-CB 3.4Å; L149-M153 WeakPolarHBondContact O-CG 3.44Å; L149-M153 PolarHBondContact O-N 3.02Å; L150-M153 WeakPolarHBondContact O-CB 3.42Å; L150-M153 PolarHBondContact O-N 2.99Å; K151-M153 VanDerWaalsContact C-N 3.34Å; K151-M153 PolarHBondContact O-N 2.87Å; M153-L155 VanDerWaalsContact C-N 3.35Å; M153-L155 PolarHBondContact O-N 3.01Å; M153-S156 PolarHBondContact O-N 3.19Å; M153-L157 WeakPolarHBondContact O-CB 3.48Å; M153-L157 VanDerWaalsContact O-CG 3.29Å; M153-L157 WeakPolarHBondContact O-CG 3.37Å; M153-L157 PolarHBondContact O-N 2.9Å
154V72.6Confident62.6Low1 Ų158.5 Ų58.51%0.00630%0.3CS..Hα-helixtrans-58.2-49.1175.3168.10000109.6L150 K151 S156 L157 A158 D195 V196 P198 L199L150-V154 HydrophobicContact CD1-CG2 4.1Å; L150-V154 HydrophobicContact CG-CG2 4.37Å; L150-V154 WeakPolarHBondContact O-CB 3.3Å; L150-V154 VanDerWaalsContact O-CG2 3.29Å; L150-V154 WeakPolarHBondContact O-CG2 3.48Å; L150-V154 PolarHBondContact O-N 3.34Å; K151-V154 PolarHBondContact O-N 2.96Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.4Å; V154-L157 PolarHBondContact O-N 3.13Å; V154-A158 WeakPolarHBondContact O-CB 3.2Å; V154-A158 PolarHBondContact O-N 3.26Å; V154-D195 WeakPolarHBondContact CG1-O 3.46Å; V154-V196 HydrophobicContact CG2-CG2 4.31Å; V154-P198 HydrophobicContact CG1-CB 4.15Å; V154-P198 HydrophobicContact CG1-CG 4.32Å; V154-L199 HydrophobicContact CG1-CB 3.61Å
155L75.3Confident63.1Low82 Ų8259.3 Ų59.343%0.42930%0.301SS..Hα-helixtrans-62.7-40.1178.7-70.9173.4000112.1K151 M153 S159 P198K151-L155 HydrophobicContact CG-CD1 4.06Å; K151-L155 WeakPolarHBondContact O-CB 3.29Å; K151-L155 WeakPolarHBondContact O-CG 3.46Å; K151-L155 PolarHBondContact O-N 3.48Å; M153-L155 VanDerWaalsContact C-N 3.35Å; M153-L155 PolarHBondContact O-N 3.01Å; L155-S159 VanDerWaalsContact O-CB 3.3Å; L155-S159 WeakPolarHBondContact O-CB 3.35Å; L155-S159 PolarHBondContact O-N 2.91Å; L155-S159 PolarHBondContact O-OG 3.32Å; L155-P198 HydrophobicContact CD2-CB 4.32Å; L155-P198 HydrophobicContact CD2-CG 4.41Å
156S70.4Confident63.5Low67 Ų6761.7 Ų61.747%0.46932%0.318SS..Hα-helixtrans-62.7-50.1175.7-1770000111.4N152 M153 V154 A158 S159 E160N152-S156 WeakPolarHBondContact O-CB 3.37Å; N152-S156 PolarHBondContact O-N 3.21Å; M153-S156 PolarHBondContact O-N 3.19Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.4Å; S156-A158 PolarHBondContact O-N 3.34Å; S156-S159 PolarHBondContact O-N 3.03Å; S156-S159 PolarHBondContact O-OG 3.23Å; S156-E160 PolarHBondContact O-N 2.9Å
157L72.7Confident63.6Low11 Ų1157.7 Ų57.76%0.05831%0.309CS..Hα-helixtrans-63.5-42177.2-70.1167.5000112.1F134 L138 M153 V154 S159 E160 L161 M175 L183 L199F134-L157 HydrophobicContact CZ-CD1 4.15Å; L138-L157 HydrophobicContact CD1-CD1 3.69Å; L138-L157 HydrophobicContact CD2-CD1 3.91Å; L138-L157 HydrophobicContact CD2-CD2 4.18Å; L138-L157 HydrophobicContact CG-CD1 4.47Å; M153-L157 WeakPolarHBondContact O-CB 3.48Å; M153-L157 VanDerWaalsContact O-CG 3.29Å; M153-L157 WeakPolarHBondContact O-CG 3.37Å; M153-L157 PolarHBondContact O-N 2.9Å; V154-L157 PolarHBondContact O-N 3.13Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 3.34Å; L157-E160 PolarHBondContact O-N 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.28Å; L157-L161 WeakPolarHBondContact O-CG 3.41Å; L157-L161 PolarHBondContact O-N 2.91Å; L157-M175 HydrophobicContact CD2-CE 4.15Å; L157-L183 HydrophobicContact CD1-CD2 4.18Å; L157-L183 HydrophobicContact CD2-CD1 4.43Å; L157-L199 HydrophobicContact CB-CD1 3.86Å; L157-L199 HydrophobicContact CD1-CD2 4.3Å
158A83Confident63.8Low4 Ų455.7 Ų55.73%0.03330%0.302CS..Hα-helixtrans-62.8-39.2175.200000111.1V154 S156 L161 R162 P198 A202V154-A158 WeakPolarHBondContact O-CB 3.2Å; V154-A158 PolarHBondContact O-N 3.26Å; S156-A158 PolarHBondContact O-N 3.34Å; A158-L161 PolarHBondContact O-N 3.38Å; A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 WeakPolarHBondContact O-CG 3.37Å; A158-R162 PolarHBondContact O-N 3.46Å; A158-P198 HydrophobicContact CB-CB 4.43Å; A158-A202 HydrophobicContact CB-CB 3.87Å
159S80.3Confident63.6Low56 Ų5663.8 Ų63.839%0.39233%0.328SS..Hα-helixtrans-66.7-42.3174.674.70000111.9L155 S156 L157 L161 R162 E163L155-S159 VanDerWaalsContact O-CB 3.3Å; L155-S159 WeakPolarHBondContact O-CB 3.35Å; L155-S159 PolarHBondContact O-N 2.91Å; L155-S159 PolarHBondContact O-OG 3.32Å; S156-S159 PolarHBondContact O-N 3.03Å; S156-S159 PolarHBondContact O-OG 3.23Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 3.34Å; S159-L161 VanDerWaalsContact C-N 3.31Å; S159-L161 PolarHBondContact O-N 2.94Å; S159-R162 PolarHBondContact O-N 3.33Å; S159-E163 WeakPolarHBondContact O-CB 3.34Å; S159-E163 WeakPolarHBondContact O-CG 3.27Å; S159-E163 PolarHBondContact O-N 3.27Å
160E76.8Confident63.2Low49 Ų4966.5 Ų66.523%0.22934%0.343CS..Hα-helixtrans-60.2-41.4175.6-168.1-179.4174.500110.8S156 L157 N164 M175 R179S156-E160 PolarHBondContact O-N 2.9Å; L157-E160 PolarHBondContact O-N 3.27Å; E160-N164 PolarHBondContact O-N 3.28Å; E160-N164 PolarHBondContact O-ND2 3.3Å; E160-N164 PolarHBondContact O-OD1 2.89Å; E160-M175 HydrophobicContact CB-CE 4.15Å; E160-M175 HydrophobicContact CG-CE 3.86Å; E160-M175 VanDerWaalsContact OE2-CE 3.29Å; E160-M175 WeakPolarHBondContact OE2-CE 3.34Å; E160-R179 IonicContact OE1-CZ 2.98Å; E160-R179 IonicContact OE1-NH1 2.7Å; E160-R179 PolarHBondContact OE1-NH1 3.49Å; E160-R179 IonicContact OE1-NH2 3.09Å; E160-R179 IonicContact OE2-CZ 3.67Å; E160-R179 IonicContact OE2-NH1 3.35Å; E160-R179 PolarHBondContact OE2-NH1 3.44Å; E160-R179 IonicContact OE2-NH2 2.65Å; E160-R179 PolarHBondContact OE2-NH2 3.41Å
161L77.4Confident62.9Low1 Ų172.3 Ų72.31%0.00538%0.378CS..Hα-helixtrans-68.3-40.4174.5-71.8170000112.9L157 A158 S159 N164 M175 V180 L199 A202 L203 C206L157-L161 WeakPolarHBondContact O-CB 3.28Å; L157-L161 WeakPolarHBondContact O-CG 3.41Å; L157-L161 PolarHBondContact O-N 2.91Å; A158-L161 PolarHBondContact O-N 3.38Å; S159-L161 VanDerWaalsContact C-N 3.31Å; S159-L161 PolarHBondContact O-N 2.94Å; L161-N164 WeakPolarHBondContact O-CB 3.44Å; L161-N164 PolarHBondContact O-N 3.26Å; L161-M175 HydrophobicContact CD2-CE 4.22Å; L161-M175 HydrophobicContact CD2-SD 3.88Å; L161-M175 HydrophobicContact CG-CE 4.25Å; L161-V180 HydrophobicContact CD2-CG2 4.02Å; L161-L199 HydrophobicContact CD1-CD1 3.64Å; L161-A202 HydrophobicContact CB-CB 4Å; L161-A202 HydrophobicContact CD1-CB 4.03Å; L161-L203 HydrophobicContact CD1-CD2 3.71Å; L161-L203 HydrophobicContact CD1-CG 3.91Å; L161-L203 HydrophobicContact CD2-CD2 4.47Å; L161-C206 HydrophobicContact CD2-CB 4.34Å
162R75.9Confident62Low99 Ų9976.3 Ų76.337%0.37440%0.399SS..Hα-helixtrans-71.3-36.1179-73.2174.4-169.2-116.33.6112.4A158 S159 N164 H165 L166 E201 A202A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 WeakPolarHBondContact O-CG 3.37Å; A158-R162 PolarHBondContact O-N 3.46Å; S159-R162 PolarHBondContact O-N 3.33Å; R162-N164 PolarHBondContact O-N 3.13Å; R162-H165 WeakPolarHBondContact O-CB 3.34Å; R162-H165 PolarHBondContact O-N 3.05Å; R162-L166 PolarHBondContact O-N 2.92Å; R162-E201 IonicContact CZ-OE1 2.86Å; R162-E201 IonicContact NH1-OE1 3.51Å; R162-E201 PolarHBondContact NH1-OE1 2.74Å; R162-E201 IonicContact NH2-OE1 2.62Å; R162-E201 PolarHBondContact NH2-OE1 3.29Å; R162-E201 IonicContact NH2-OE2 3.73Å; R162-E201 PolarHBondContact NH2-OE2 3.29Å; R162-A202 HydrophobicContact CG-CB 4.38Å
163E65.9Low61.6Low88 Ų8880.5 Ų80.541%0.41141%0.407SS..Hα-helixtrans-60.4-31173.9-77.9-172.7-176.800111.7S159 H165 L166 N167S159-E163 WeakPolarHBondContact O-CB 3.34Å; S159-E163 WeakPolarHBondContact O-CG 3.27Å; S159-E163 PolarHBondContact O-N 3.27Å; E163-H165 PolarHBondContact O-N 3.05Å; E163-L166 PolarHBondContact O-N 3.14Å; E163-N167 PolarHBondContact O-N 2.86Å
164N55.8Low61.5Low16 Ų1684.6 Ų84.69%0.08642%0.422CS..Hα-helixtrans-65.7-22.9175.1-60.7-34.9000114E160 L161 R162 R174E160-N164 PolarHBondContact O-N 3.28Å; E160-N164 PolarHBondContact O-ND2 3.3Å; E160-N164 PolarHBondContact O-OD1 2.89Å; L161-N164 WeakPolarHBondContact O-CB 3.44Å; L161-N164 PolarHBondContact O-N 3.26Å; R162-N164 PolarHBondContact O-N 3.13Å; N164-R174 HydrophobicContact CB-CG 4.08Å; N164-R174 PolarHBondContact O-NH2 2.98Å; N164-R174 WeakPolarHBondContact OD1-CA 3.46Å; N164-R174 WeakPolarHBondContact OD1-CG 3.45Å
165H51.1Low61.4Low106 Ų10685.1 Ų85.149%0.49142%0.424SS..Hα-helixtrans-89.3-35.8-180-174.6-77.2000112.3R162 E163R162-H165 WeakPolarHBondContact O-CB 3.34Å; R162-H165 PolarHBondContact O-N 3.05Å; E163-H165 PolarHBondContact O-N 3.05Å
166L49.2Very low61.5Low137 Ų13783.4 Ų83.472%0.71742%0.422SS*.Hα-helixtrans-87.4-31.9-173.6-68.5167000114R162 E163R162-L166 PolarHBondContact O-N 2.92Å; E163-L166 PolarHBondContact O-N 3.14Å
167N47Very low61.8Low93 Ų9382.4 Ų82.450%0.49741%0.413SS..  trans-107.263.9-171.6-83.9-21.7000113.4E163 F169 N170E163-N167 PolarHBondContact O-N 2.86Å; N167-F169 PolarHBondContact O-N 2.91Å; N167-N170 PolarHBondContact O-N 3.43Å; N167-N170 VanDerWaalsContact O-N 3.16Å
168G47.4Very low62.1Low35 Ų3588.2 Ų88.236%0.36144%0.44SS..THydrogen-bonded Turntrans-53.2-0.3-178.700000118.1R209G168-R209 PolarHBondContact O-NH2 3.34Å
169F42.3Very low61.7Low207 Ų20792.9 Ų92.991%0.90846%0.457SS*.THydrogen-bonded Turntrans-118-10.2-177.7-65.8-79.9000115.5N167N167-F169 PolarHBondContact O-N 2.91Å
170N44.3Very low61.8Low114 Ų11490.5 Ų90.561%0.6144%0.44SS*.  trans-102.798.2-179.9-79.1-26.5000111.5N167 Q172N167-N170 PolarHBondContact O-N 3.43Å; N167-N170 VanDerWaalsContact O-N 3.16Å; N170-Q172 VanDerWaalsContact C-N 3.27Å; N170-Q172 PolarHBondContact O-N 2.75Å
171T47.2Very low62.1Low127 Ų12789.1 Ų89.178%0.77944%0.437SS*.G310 helixtrans-75.7-9.3178.7440000114.1
172Q44.7Very low61.9Low193 Ų19391.6 Ų91.690%0.90245%0.454SS*.G310 helixtrans-86.9-10.7-169.1-117.2170.2-4.100115.8N170N170-Q172 VanDerWaalsContact C-N 3.27Å; N170-Q172 PolarHBondContact O-N 2.75Å
173R52.3Low61.8Low192 Ų19287 Ų8773%0.72544%0.438SS*.G310 helixtrans-124.617.8-178.1-95.7-169.6-165.9-179.14.2114
174R60.9Low62.6Low99 Ų9982.9 Ų82.937%0.37442%0.418SS..PPolyproline II helixtrans-81.7132.5-175.5-130.9179.6-161.2-146.4-4.7111.5N164 A176N164-R174 HydrophobicContact CB-CG 4.08Å; N164-R174 PolarHBondContact O-NH2 2.98Å; N164-R174 WeakPolarHBondContact OD1-CA 3.46Å; N164-R174 WeakPolarHBondContact OD1-CG 3.45Å; R174-A176 PolarHBondContact O-N 2.81Å
175M69.8Low63.5Low11 Ų1190 Ų905%0.05444%0.444CS..PPolyproline II helixtrans-65.5129.4171.5-166.8-179.9-69.800109.4L157 E160 L161 R179 V180 L183L157-M175 HydrophobicContact CD2-CE 4.15Å; E160-M175 HydrophobicContact CB-CE 4.15Å; E160-M175 HydrophobicContact CG-CE 3.86Å; E160-M175 VanDerWaalsContact OE2-CE 3.29Å; E160-M175 WeakPolarHBondContact OE2-CE 3.34Å; L161-M175 HydrophobicContact CD2-CE 4.22Å; L161-M175 HydrophobicContact CD2-SD 3.88Å; L161-M175 HydrophobicContact CG-CE 4.25Å; M175-R179 HydrophobicContact CG-CB 3.87Å; M175-R179 HydrophobicContact CG-CG 3.81Å; M175-R179 HydrophobicContact SD-CB 4.34Å; M175-R179 HydrophobicContact SD-CG 3.88Å; M175-V180 HydrophobicContact CB-CG2 4.12Å; M175-V180 HydrophobicContact CG-CG2 3.89Å; M175-V180 HydrophobicContact SD-CG2 3.73Å; M175-L183 HydrophobicContact CE-CD1 3.74Å; M175-L183 HydrophobicContact SD-CD1 3.29Å; M175-L183 WeakPolarHBondContact SD-CD1 3.49Å
176A76.6Confident64.4Low46 Ų4686.2 Ų86.238%0.3843%0.428SS..PPolyproline II helixtrans-64.2142.6179.900000110.9R174 E178 R179 V180R174-A176 PolarHBondContact O-N 2.81Å; A176-E178 WeakPolarHBondContact CB-OE2 3.41Å; A176-E178 PolarHBondContact O-N 3.12Å; A176-E178 VanDerWaalsContact O-N 3.17Å; A176-R179 WeakPolarHBondContact O-CA 3.21Å; A176-R179 WeakPolarHBondContact O-CB 3.23Å; A176-R179 PolarHBondContact O-N 3.48Å; A176-V180 PolarHBondContact O-N 3.05Å; A176-V180 VanDerWaalsContact O-N 3.11Å
177P78.3Confident65.5Low46 Ų4679.7 Ų79.730%0.29939%0.394SS..Hα-helixtrans-52.6-37.4-179.6-26.735000113.3R179 V180 A181 I214P177-R179 VanDerWaalsContact C-N 3.29Å; P177-R179 PolarHBondContact O-N 3.43Å; P177-V180 PolarHBondContact O-N 3.01Å; P177-A181 WeakPolarHBondContact O-CB 3.49Å; P177-A181 PolarHBondContact O-N 2.67Å; P177-I214 HydrophobicContact CB-CD1 4.29Å; P177-I214 HydrophobicContact CB-CG2 4.18Å; P177-I214 WeakPolarHBondContact O-CG2 3.36Å
178E78.4Confident66.9Low133 Ų13377.2 Ų77.262%0.62138%0.382SS*.Hα-helixtrans-65.2-33.7178.7-53.782.3-179.200112.1A176 S182A176-E178 WeakPolarHBondContact CB-OE2 3.41Å; A176-E178 PolarHBondContact O-N 3.12Å; A176-E178 VanDerWaalsContact O-N 3.17Å; E178-S182 VanDerWaalsContact O-CB 3.3Å; E178-S182 WeakPolarHBondContact O-CB 3.33Å; E178-S182 PolarHBondContact O-N 3.46Å; E178-S182 PolarHBondContact O-OG 3.18Å
179R75.3Confident67.8Low102 Ų10278 Ų7839%0.38538%0.381SS..Hα-helixtrans-74-36.9176.3-174.8170.9169.3-135.7-10.9111E160 M175 A176 P177 S182 L183E160-R179 IonicContact OE1-CZ 2.98Å; E160-R179 IonicContact OE1-NH1 2.7Å; E160-R179 PolarHBondContact OE1-NH1 3.49Å; E160-R179 IonicContact OE1-NH2 3.09Å; E160-R179 IonicContact OE2-CZ 3.67Å; E160-R179 IonicContact OE2-NH1 3.35Å; E160-R179 PolarHBondContact OE2-NH1 3.44Å; E160-R179 IonicContact OE2-NH2 2.65Å; E160-R179 PolarHBondContact OE2-NH2 3.41Å; M175-R179 HydrophobicContact CG-CB 3.87Å; M175-R179 HydrophobicContact CG-CG 3.81Å; M175-R179 HydrophobicContact SD-CB 4.34Å; M175-R179 HydrophobicContact SD-CG 3.88Å; A176-R179 WeakPolarHBondContact O-CA 3.21Å; A176-R179 WeakPolarHBondContact O-CB 3.23Å; A176-R179 PolarHBondContact O-N 3.48Å; P177-R179 VanDerWaalsContact C-N 3.29Å; P177-R179 PolarHBondContact O-N 3.43Å; R179-S182 PolarHBondContact O-N 3.07Å; R179-L183 WeakPolarHBondContact O-CB 3.5Å; R179-L183 VanDerWaalsContact O-CG 3.28Å; R179-L183 WeakPolarHBondContact O-CG 3.22Å; R179-L183 PolarHBondContact O-N 3.38Å
180V82.1Confident69Low7 Ų768.1 Ų68.14%0.04234%0.338CS..Hα-helixtrans-65.2-44.3173.3179.70000111.1L161 M175 A176 P177 L183 S184 L203 I214 L215L161-V180 HydrophobicContact CD2-CG2 4.02Å; M175-V180 HydrophobicContact CB-CG2 4.12Å; M175-V180 HydrophobicContact CG-CG2 3.89Å; M175-V180 HydrophobicContact SD-CG2 3.73Å; A176-V180 PolarHBondContact O-N 3.05Å; A176-V180 VanDerWaalsContact O-N 3.11Å; P177-V180 PolarHBondContact O-N 3.01Å; V180-L183 WeakPolarHBondContact O-CB 3.21Å; V180-L183 PolarHBondContact O-N 3.32Å; V180-S184 PolarHBondContact O-N 3.14Å; V180-L203 HydrophobicContact CG1-CD2 4.17Å; V180-I214 HydrophobicContact CB-CG2 3.76Å; V180-I214 HydrophobicContact CG1-CG2 3.77Å; V180-L215 HydrophobicContact CG1-CD2 3.81Å
181A82.6Confident70.6Confident19 Ų1963.1 Ų63.116%0.15731%0.311CS..Hα-helixtrans-62.9-41.417500000112.3P177 S184 R185 I214P177-A181 WeakPolarHBondContact O-CB 3.49Å; P177-A181 PolarHBondContact O-N 2.67Å; A181-S184 PolarHBondContact O-N 3.25Å; A181-S184 PolarHBondContact O-OG 3.48Å; A181-R185 PolarHBondContact O-N 2.94Å; A181-I214 WeakPolarHBondContact CA-O 3.29Å; A181-I214 HydrophobicContact CB-CG2 4.46Å; A181-I214 VanDerWaalsContact CB-O 3.26Å; A181-I214 WeakPolarHBondContact CB-O 3.49Å
182S72.8Confident71.9Confident53 Ų5360.5 Ų60.537%0.37129%0.294SS..Hα-helixtrans-64-44.6175.2-63.20000111.3E178 R179 S184 R185 V186E178-S182 VanDerWaalsContact O-CB 3.3Å; E178-S182 WeakPolarHBondContact O-CB 3.33Å; E178-S182 PolarHBondContact O-N 3.46Å; E178-S182 PolarHBondContact O-OG 3.18Å; R179-S182 PolarHBondContact O-N 3.07Å; S182-S184 PolarHBondContact O-N 2.96Å; S182-R185 PolarHBondContact O-N 2.88Å; S182-V186 WeakPolarHBondContact O-CG2 3.44Å; S182-V186 PolarHBondContact O-N 2.94Å
183L74.6Confident73.1Confident4 Ų453.6 Ų53.62%0.02126%0.263CS..Hα-helixtrans-58-46175.3-82.6172.7000112.1L138 L157 M175 R179 V180 R185 V186 C187 L203L138-L183 HydrophobicContact CD2-CD2 3.43Å; L138-L183 VanDerWaalsContact CD2-CD2 3.43Å; L138-L183 HydrophobicContact CD2-CG 4.47Å; L138-L183 HydrophobicContact CG-CD2 4.4Å; L157-L183 HydrophobicContact CD1-CD2 4.18Å; L157-L183 HydrophobicContact CD2-CD1 4.43Å; M175-L183 HydrophobicContact CE-CD1 3.74Å; M175-L183 HydrophobicContact SD-CD1 3.29Å; M175-L183 WeakPolarHBondContact SD-CD1 3.49Å; R179-L183 WeakPolarHBondContact O-CB 3.5Å; R179-L183 VanDerWaalsContact O-CG 3.28Å; R179-L183 WeakPolarHBondContact O-CG 3.22Å; R179-L183 PolarHBondContact O-N 3.38Å; V180-L183 WeakPolarHBondContact O-CB 3.21Å; V180-L183 PolarHBondContact O-N 3.32Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 3.26Å; L183-V186 PolarHBondContact O-N 2.95Å; L183-C187 WeakPolarHBondContact O-CB 3.48Å; L183-C187 PolarHBondContact O-N 3.5Å; L183-C187 PolarHBondContact O-SG 3.17Å; L183-L203 HydrophobicContact CB-CD2 4.29Å
184S82.4Confident74.3Confident0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-60.4-42.3179.872.30000111.6V180 A181 S182 V186 C187 V188 Q216 F219V180-S184 PolarHBondContact O-N 3.14Å; A181-S184 PolarHBondContact O-N 3.25Å; A181-S184 PolarHBondContact O-OG 3.48Å; S182-S184 PolarHBondContact O-N 2.96Å; S184-V186 PolarHBondContact O-N 3.48Å; S184-C187 PolarHBondContact O-N 3.26Å; S184-V188 PolarHBondContact O-N 2.86Å; S184-Q216 WeakPolarHBondContact OG-CG 3.49Å; S184-Q216 PolarHBondContact OG-N 3.1Å; S184-Q216 VanDerWaalsContact OG-N 3.07Å; S184-F219 VanDerWaalsContact O-CD2 3.3Å; S184-F219 WeakPolarHBondContact O-CD2 3.28Å
185R75.4Confident74.9Confident165 Ų16547.9 Ų47.962%0.62326%0.259SS*.Hα-helixtrans-62-44.9177.4-173176.668175.60112.2A181 S182 L183 C187 V188 Q216A181-R185 PolarHBondContact O-N 2.94Å; S182-R185 PolarHBondContact O-N 2.88Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 3.26Å; R185-C187 VanDerWaalsContact C-N 3.31Å; R185-V188 PolarHBondContact O-N 3.12Å; R185-Q216 HydrophobicContact CB-CG 4.21Å
186V69.7Low75.3Confident28 Ų2847.4 Ų47.417%0.1726%0.256CS..Hα-helixtrans-74.1-25.9-176.4-178.60000111.3F134 S182 L183 S184 P189F134-V186 HydrophobicContact CB-CG1 3.71Å; F134-V186 HydrophobicContact CD2-CB 4.41Å; F134-V186 HydrophobicContact CD2-CG1 3.58Å; F134-V186 HydrophobicContact CG-CG1 4.03Å; S182-V186 WeakPolarHBondContact O-CG2 3.44Å; S182-V186 PolarHBondContact O-N 2.94Å; L183-V186 PolarHBondContact O-N 2.95Å; S184-V186 PolarHBondContact O-N 3.48Å; V186-P189 WeakPolarHBondContact O-CD 3.4Å
187C72.1Confident75.8Confident0 Ų046.6 Ų46.60%025%0.246CC..Hα-helixtrans-73-24.2175.5-69.60000113.8L183 S184 R185 L190 I191 L199 L203 F219L183-C187 WeakPolarHBondContact O-CB 3.48Å; L183-C187 PolarHBondContact O-N 3.5Å; L183-C187 PolarHBondContact O-SG 3.17Å; S184-C187 PolarHBondContact O-N 3.26Å; R185-C187 VanDerWaalsContact C-N 3.31Å; C187-L190 CarbonylContact O-C 3.55Å; C187-L190 WeakPolarHBondContact O-CA 3.36Å; C187-L190 PolarHBondContact O-N 3.06Å; C187-I191 WeakPolarHBondContact O-CG2 3.19Å; C187-I191 PolarHBondContact O-N 3.27Å; C187-I191 VanDerWaalsContact O-N 3.14Å; C187-L199 VanDerWaalsContact SG-CD2 3.6Å; C187-L203 HydrophobicContact CB-CD1 4.29Å; C187-F219 HydrophobicContact CB-CD2 4.17Å; C187-F219 HydrophobicContact CB-CE2 3.87Å
188V74.9Confident76.3Confident40 Ų4046.2 Ų46.224%0.24224%0.243CC..G310 helixtrans-45.4-53.5-176.51710000114S184 R185 L190 I191 E218 F219 A222S184-V188 PolarHBondContact O-N 2.86Å; R185-V188 PolarHBondContact O-N 3.12Å; V188-L190 PolarHBondContact O-N 2.79Å; V188-I191 WeakPolarHBondContact O-CG1 3.19Å; V188-E218 HydrophobicContact CG2-CB 4.48Å; V188-F219 HydrophobicContact CG2-CB 4.04Å; V188-F219 HydrophobicContact CG2-CD2 4.46Å; V188-A222 HydrophobicContact CG1-CB 3.99Å
189P66.6Low76.7Confident51 Ų5139.9 Ų39.933%0.33121%0.214SC..G310 helixtrans-68.8-2217925.6-34.4000113.6E130 V186E130-P189 HydrophobicContact CB-CB 3.99Å; E130-P189 HydrophobicContact CB-CG 4.23Å; E130-P189 HydrophobicContact CG-CB 3.72Å; E130-P189 HydrophobicContact CG-CG 4.3Å; V186-P189 WeakPolarHBondContact O-CD 3.4Å
190L68.4Low77.4Confident1 Ų135 Ų351%0.00520%0.195CC..G310 helixtrans-95.8-5.8-171.3-59.2-176.1000114.7E130 V131 F134 C187 V188 T192 L193 V196E130-L190 HydrophobicContact CB-CD2 3.54Å; V131-L190 HydrophobicContact CG2-CD2 3.8Å; F134-L190 HydrophobicContact CB-CD1 3.33Å; F134-L190 HydrophobicContact CD1-CD1 4.02Å; F134-L190 HydrophobicContact CD2-CD1 3.5Å; F134-L190 HydrophobicContact CE2-CD1 4.29Å; F134-L190 HydrophobicContact CG-CD1 3.36Å; C187-L190 CarbonylContact O-C 3.55Å; C187-L190 WeakPolarHBondContact O-CA 3.36Å; C187-L190 PolarHBondContact O-N 3.06Å; V188-L190 PolarHBondContact O-N 2.79Å; L190-T192 PolarHBondContact O-N 3.16Å; L190-L193 HydrophobicContact CB-CD1 4.31Å; L190-L193 HydrophobicContact CD2-CD1 3.75Å; L190-L193 WeakPolarHBondContact O-CB 3.3Å; L190-L193 PolarHBondContact O-N 3.37Å; L190-V196 HydrophobicContact CB-CG1 4.34Å; L190-V196 HydrophobicContact CB-CG2 4.25Å
191I78.4Confident78Confident9 Ų936.5 Ų36.55%0.04620%0.202CC..THydrogen-bonded Turntrans-59.6-18.9-172.463.9177.6000114.5C187 V188 V200 F219 A222 V223 A226 I232C187-I191 WeakPolarHBondContact O-CG2 3.19Å; C187-I191 PolarHBondContact O-N 3.27Å; C187-I191 VanDerWaalsContact O-N 3.14Å; V188-I191 WeakPolarHBondContact O-CG1 3.19Å; I191-V200 HydrophobicContact CB-CG2 4.43Å; I191-V200 HydrophobicContact CG2-CG2 4.16Å; I191-F219 HydrophobicContact CG2-CD2 4.49Å; I191-F219 HydrophobicContact CG2-CE2 4.2Å; I191-A222 HydrophobicContact CD1-CB 3.54Å; I191-A222 WeakPolarHBondContact CD1-O 3.34Å; I191-V223 HydrophobicContact CB-CG2 4.47Å; I191-V223 HydrophobicContact CD1-CG2 4.37Å; I191-V223 HydrophobicContact CG2-CG2 3.91Å; I191-A226 HydrophobicContact CD1-CB 3.93Å; I191-A226 HydrophobicContact CG1-CB 4.42Å; I191-I232 WeakPolarHBondContact O-CD1 3.21Å
192T74.8Confident78.4Confident71 Ų7135.6 Ų35.644%0.43620%0.195SC..THydrogen-bonded Turntrans-88.4-4.5177.458.80000113.1L190 K231L190-T192 PolarHBondContact O-N 3.16Å; T192-K231 HydrophobicContact CG2-CB 4.15Å; T192-K231 HydrophobicContact CG2-CD 4.16Å
193L69.9Low79.3Confident48 Ų4833.1 Ų33.125%0.25118%0.177SC..  trans-83.4119.8174.8-60-179.7000109.4V131 L190 D195 V196V131-L193 HydrophobicContact CG2-CD1 4Å; L190-L193 HydrophobicContact CB-CD1 4.31Å; L190-L193 HydrophobicContact CD2-CD1 3.75Å; L190-L193 WeakPolarHBondContact O-CB 3.3Å; L190-L193 PolarHBondContact O-N 3.37Å; L193-D195 PolarHBondContact O-N 2.92Å; L193-V196 HydrophobicContact CB-CB 4.36Å; L193-V196 HydrophobicContact CB-CG2 3.88Å; L193-V196 HydrophobicContact CD1-CG2 4.37Å; L193-V196 WeakPolarHBondContact O-CA 3.34Å; L193-V196 WeakPolarHBondContact O-CB 3.09Å; L193-V196 PolarHBondContact O-N 3.07Å
194T77.3Confident80.1Confident106 Ų10632.9 Ų32.965%0.6518%0.176SC*.G310 helixtrans-59.4-31-178.449.50000113.5V196 D197T194-V196 PolarHBondContact O-N 3.31Å; T194-D197 WeakPolarHBondContact O-CB 3.41Å; T194-D197 PolarHBondContact O-N 3.28Å
195D72.7Confident80.4Confident66 Ų6634.5 Ų34.535%0.35318%0.184SC..G310 helixtrans-64.4-17.9173.9-74.1-41.2000113.1V154 L193V154-D195 WeakPolarHBondContact CG1-O 3.46Å; L193-D195 PolarHBondContact O-N 2.92Å
196V77.4Confident80.8Confident0 Ų027.4 Ų27.40%016%0.16CC..G310 helixtrans-97.7-14.2-177.7-174.40000112.1V154 L190 L193 T194 P198 L199 V200V154-V196 HydrophobicContact CG2-CG2 4.31Å; L190-V196 HydrophobicContact CB-CG1 4.34Å; L190-V196 HydrophobicContact CB-CG2 4.25Å; L193-V196 HydrophobicContact CB-CB 4.36Å; L193-V196 HydrophobicContact CB-CG2 3.88Å; L193-V196 HydrophobicContact CD1-CG2 4.37Å; L193-V196 WeakPolarHBondContact O-CA 3.34Å; L193-V196 WeakPolarHBondContact O-CB 3.09Å; L193-V196 PolarHBondContact O-N 3.07Å; T194-V196 PolarHBondContact O-N 3.31Å; V196-P198 VanDerWaalsContact C-N 3.32Å; V196-P198 VanDerWaalsContact O-N 3.17Å; V196-L199 HydrophobicContact CG1-CB 4.39Å; V196-L199 WeakPolarHBondContact O-CA 3.32Å; V196-L199 WeakPolarHBondContact O-CB 3.26Å; V196-L199 PolarHBondContact O-N 3.29Å; V196-V200 HydrophobicContact CG1-CG2 4.17Å; V196-V200 PolarHBondContact O-N 3.28Å
197D87.8Confident80.9Confident30 Ų3030.4 Ų30.416%0.1617%0.171CC..Hα-helixtrans-47.4-44.5178-67.2-5.5000113.7T194 L199 V200 E201 I232 L234T194-D197 WeakPolarHBondContact O-CB 3.41Å; T194-D197 PolarHBondContact O-N 3.28Å; D197-L199 PolarHBondContact O-N 3.36Å; D197-V200 PolarHBondContact O-N 3.46Å; D197-E201 WeakPolarHBondContact O-CB 3.42Å; D197-E201 PolarHBondContact O-N 3.31Å; D197-I232 WeakPolarHBondContact OD1-CG1 3.48Å; D197-L234 HydrophobicContact CB-CD2 4.44Å
198P89.6Confident80.4Confident37 Ų3731.8 Ų31.824%0.2419%0.186CC..Hα-helixtrans-62.4-31.1179.2-22.334.3000113.6V154 L155 A158 V196 A202V154-P198 HydrophobicContact CG1-CB 4.15Å; V154-P198 HydrophobicContact CG1-CG 4.32Å; L155-P198 HydrophobicContact CD2-CB 4.32Å; L155-P198 HydrophobicContact CD2-CG 4.41Å; A158-P198 HydrophobicContact CB-CB 4.43Å; V196-P198 VanDerWaalsContact C-N 3.32Å; V196-P198 VanDerWaalsContact O-N 3.17Å; P198-A202 VanDerWaalsContact O-CB 3.28Å; P198-A202 WeakPolarHBondContact O-CB 3.46Å; P198-A202 PolarHBondContact O-N 3.47Å; P198-A202 VanDerWaalsContact O-N 3.07Å
199L85.4Confident79.5Confident0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-77.7-41.8177178.759.7000111.1F134 V154 L157 L161 C187 V196 D197 E201 A202 L203F134-L199 HydrophobicContact CE2-CD2 3.81Å; F134-L199 HydrophobicContact CZ-CD2 3.67Å; V154-L199 HydrophobicContact CG1-CB 3.61Å; L157-L199 HydrophobicContact CB-CD1 3.86Å; L157-L199 HydrophobicContact CD1-CD2 4.3Å; L161-L199 HydrophobicContact CD1-CD1 3.64Å; C187-L199 VanDerWaalsContact SG-CD2 3.6Å; V196-L199 HydrophobicContact CG1-CB 4.39Å; V196-L199 WeakPolarHBondContact O-CA 3.32Å; V196-L199 WeakPolarHBondContact O-CB 3.26Å; V196-L199 PolarHBondContact O-N 3.29Å; D197-L199 PolarHBondContact O-N 3.36Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 3.37Å; L199-A202 PolarHBondContact O-N 3.47Å; L199-L203 HydrophobicContact CD1-CD1 4.45Å; L199-L203 HydrophobicContact CD1-CG 4.34Å; L199-L203 HydrophobicContact CG-CD1 4.23Å; L199-L203 WeakPolarHBondContact O-CB 3.33Å; L199-L203 WeakPolarHBondContact O-CG 3.5Å; L199-L203 PolarHBondContact O-N 2.83Å
200V91.6Very high79.4Confident0 Ų040.9 Ų40.90%021%0.214CC..Hα-helixtrans-59.2-47.2173.6177.60000110.2I191 V196 D197 A202 L203 L204 F219 V223 I232 L234I191-V200 HydrophobicContact CB-CG2 4.43Å; I191-V200 HydrophobicContact CG2-CG2 4.16Å; V196-V200 HydrophobicContact CG1-CG2 4.17Å; V196-V200 PolarHBondContact O-N 3.28Å; D197-V200 PolarHBondContact O-N 3.46Å; V200-A202 PolarHBondContact O-N 2.93Å; V200-L203 PolarHBondContact O-N 2.65Å; V200-L204 HydrophobicContact CG1-CD1 4.29Å; V200-L204 WeakPolarHBondContact O-CG 3.43Å; V200-L204 PolarHBondContact O-N 2.88Å; V200-F219 HydrophobicContact CG1-CZ 4.01Å; V200-V223 HydrophobicContact CG1-CG1 4.07Å; V200-V223 HydrophobicContact CG1-CG2 3.82Å; V200-I232 HydrophobicContact CB-CD1 4.43Å; V200-I232 HydrophobicContact CG1-CD1 4.1Å; V200-I232 HydrophobicContact CG2-CD1 4.5Å; V200-L234 HydrophobicContact CB-CD2 4.46Å; V200-L234 HydrophobicContact CG1-CD1 3.84Å; V200-L234 HydrophobicContact CG1-CD2 4.3Å
201E93.9Very high79.2Confident38 Ų3847.3 Ų47.318%0.17826%0.256CS..Hα-helixtrans-57.1-49.2174.8-170.9-160145.300111.2R162 D197 L199 L203 L204 I205 L234 P235 A238R162-E201 IonicContact CZ-OE1 2.86Å; R162-E201 IonicContact NH1-OE1 3.51Å; R162-E201 PolarHBondContact NH1-OE1 2.74Å; R162-E201 IonicContact NH2-OE1 2.62Å; R162-E201 PolarHBondContact NH2-OE1 3.29Å; R162-E201 IonicContact NH2-OE2 3.73Å; R162-E201 PolarHBondContact NH2-OE2 3.29Å; D197-E201 WeakPolarHBondContact O-CB 3.42Å; D197-E201 PolarHBondContact O-N 3.31Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 3.37Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.42Å; E201-L204 PolarHBondContact O-N 2.63Å; E201-I205 HydrophobicContact CG-CD1 3.78Å; E201-I205 WeakPolarHBondContact O-CG1 3.42Å; E201-I205 PolarHBondContact O-N 3.05Å; E201-L234 HydrophobicContact CB-CD2 4.43Å; E201-P235 VanDerWaalsContact CD-CG 3.47Å; E201-P235 HydrophobicContact CG-CG 3.62Å; E201-A238 HydrophobicContact CG-CB 4.01Å
202A90.6Very high79Confident1 Ų154 Ų541%0.00829%0.287CS..Hα-helixtrans-63.4-38.3-179.200000112.7A158 L161 R162 P198 L199 V200 I205 C206A158-A202 HydrophobicContact CB-CB 3.87Å; L161-A202 HydrophobicContact CB-CB 4Å; L161-A202 HydrophobicContact CD1-CB 4.03Å; R162-A202 HydrophobicContact CG-CB 4.38Å; P198-A202 VanDerWaalsContact O-CB 3.28Å; P198-A202 WeakPolarHBondContact O-CB 3.46Å; P198-A202 PolarHBondContact O-N 3.47Å; P198-A202 VanDerWaalsContact O-N 3.07Å; L199-A202 PolarHBondContact O-N 3.47Å; V200-A202 PolarHBondContact O-N 2.93Å; A202-I205 PolarHBondContact O-N 3.32Å; A202-C206 WeakPolarHBondContact O-CB 3.42Å; A202-C206 PolarHBondContact O-N 3.16Å
203L91Very high79.5Confident0 Ų054.6 Ų54.60%029%0.285CS..Hα-helixtrans-63.2-47175.3-74.7167.8000111.1L161 V180 L183 C187 L199 V200 E201 I205 C206 L215 F219 R245L161-L203 HydrophobicContact CD1-CD2 3.71Å; L161-L203 HydrophobicContact CD1-CG 3.91Å; L161-L203 HydrophobicContact CD2-CD2 4.47Å; V180-L203 HydrophobicContact CG1-CD2 4.17Å; L183-L203 HydrophobicContact CB-CD2 4.29Å; C187-L203 HydrophobicContact CB-CD1 4.29Å; L199-L203 HydrophobicContact CD1-CD1 4.45Å; L199-L203 HydrophobicContact CD1-CG 4.34Å; L199-L203 HydrophobicContact CG-CD1 4.23Å; L199-L203 WeakPolarHBondContact O-CB 3.33Å; L199-L203 WeakPolarHBondContact O-CG 3.5Å; L199-L203 PolarHBondContact O-N 2.83Å; V200-L203 PolarHBondContact O-N 2.65Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.42Å; L203-I205 VanDerWaalsContact C-N 3.32Å; L203-I205 PolarHBondContact O-N 2.92Å; L203-C206 PolarHBondContact O-N 3Å; L203-L215 HydrophobicContact CB-CD1 4.49Å; L203-L215 HydrophobicContact CB-CD2 4.27Å; L203-L215 HydrophobicContact CD2-CD2 3.88Å; L203-L215 WeakPolarHBondContact O-CD1 3.29Å; L203-F219 HydrophobicContact CB-CE1 4.1Å; L203-F219 HydrophobicContact CB-CZ 3.91Å; L203-F219 HydrophobicContact CD1-CE2 3.93Å; L203-F219 HydrophobicContact CD1-CZ 3.77Å; L203-R245 PolarHBondContact O-NH1 3.3Å
204L92.3Very high80.3Confident0 Ų053.6 Ų53.60%028%0.28CS..Hα-helixtrans-63.4-36.9179.1-69.9176000112.8V200 E201 F219 F220 V223 L234 A238 C241 L242 R245V200-L204 HydrophobicContact CG1-CD1 4.29Å; V200-L204 WeakPolarHBondContact O-CG 3.43Å; V200-L204 PolarHBondContact O-N 2.88Å; E201-L204 PolarHBondContact O-N 2.63Å; L204-F219 HydrophobicContact CD2-CE1 3.91Å; L204-F219 HydrophobicContact CG-CE1 4.28Å; L204-F220 HydrophobicContact CD2-CD1 3.92Å; L204-F220 HydrophobicContact CD2-CE1 3.89Å; L204-V223 HydrophobicContact CD1-CG1 4.12Å; L204-L234 HydrophobicContact CD1-CD1 3.76Å; L204-A238 HydrophobicContact CB-CB 4.3Å; L204-A238 HydrophobicContact CD1-CB 3.97Å; L204-C241 VanDerWaalsContact O-CB 3.22Å; L204-C241 WeakPolarHBondContact O-CB 3.32Å; L204-L242 HydrophobicContact CD1-CB 4.33Å; L204-L242 HydrophobicContact CD2-CB 3.97Å; L204-L242 HydrophobicContact CD2-CD1 4.11Å; L204-R245 PolarHBondContact O-NH1 3.01Å
205I89.5Confident80.9Confident34 Ų3448.8 Ų48.817%0.17425%0.25CC..Hα-helixtrans-80.4-22.4178-63.3172.7000111.9E201 A202 L203 H207E201-I205 HydrophobicContact CG-CD1 3.78Å; E201-I205 WeakPolarHBondContact O-CG1 3.42Å; E201-I205 PolarHBondContact O-N 3.05Å; A202-I205 PolarHBondContact O-N 3.32Å; L203-I205 VanDerWaalsContact C-N 3.32Å; L203-I205 PolarHBondContact O-N 2.92Å; I205-H207 PolarHBondContact O-CD2 2.8Å; I205-H207 PolarHBondContact O-N 2.75Å
206C83.3Confident81.4Confident16 Ų1648.9 Ų48.911%0.10825%0.248CC..  trans-68.2103.6-179.5-178.20000110.9L161 A202 L203 R245L161-C206 HydrophobicContact CD2-CB 4.34Å; A202-C206 WeakPolarHBondContact O-CB 3.42Å; A202-C206 PolarHBondContact O-N 3.16Å; L203-C206 PolarHBondContact O-N 3Å; C206-R245 PolarHBondContact O-NH1 2.95Å; C206-R245 PolarHBondContact O-NH2 3.19Å
207H71.3Confident82Confident90 Ų9051.8 Ų51.842%0.41727%0.267SS..  trans-87.6125.2173.5-66.8-69.8000111.4I205I205-H207 PolarHBondContact O-CD2 2.8Å; I205-H207 PolarHBondContact O-N 2.75Å
208G61.5Low82Confident30 Ų3055.4 Ų55.431%0.30928%0.283SS..  trans-62.9150.7163.800000111.2E210 I214G208-E210 VanDerWaalsContact C-N 3.26Å; G208-I214 VanDerWaalsContact CA-CD1 3.42Å
209R57Low82Confident169 Ų16953.7 Ų53.764%0.63827%0.272SS*.SBendtrans-81.4-13.4165.9-79.5-174.8-178.5-171.40.2112.1G168G168-R209 PolarHBondContact O-NH2 3.34Å
210E63.7Low82.5Confident112 Ų11253.7 Ų53.752%0.52327%0.272SS..SBendtrans-84.3148.3-178.4-67.7179.9-176.700110.2G208 Q212G208-E210 VanDerWaalsContact C-N 3.26Å; E210-Q212 PolarHBondContact O-N 3.01Å
211P64.1Low82.6Confident137 Ų13758.7 Ų58.789%0.8930%0.295SS*.SBendtrans-68.8-12.7178.927.6-33.9000113.1
212Q74.3Confident82.4Confident150 Ų15058 Ų5870%0.70130%0.296SS*.SBendtrans-92.7140.7179.1-68.5178.8-5.400110.8E210 I214E210-Q212 PolarHBondContact O-N 3.01Å; Q212-I214 PolarHBondContact O-N 2.66Å
213E86.3Confident82.6Confident83 Ų8358 Ų5839%0.38830%0.296SS..  trans-68.5128.3176-17747.4-96.900110L215 F220 R245E213-L215 PolarHBondContact OE1-N 3.09Å; E213-F220 HydrophobicContact CG-CE2 3.66Å; E213-F220 HydrophobicContact CG-CZ 4.05Å; E213-R245 IonicContact OE1-CZ 3.51Å; E213-R245 IonicContact OE1-NE 2.96Å; E213-R245 IonicContact OE1-NH2 2.65Å; E213-R245 PolarHBondContact OE1-NH2 3.15Å; E213-R245 IonicContact OE2-CZ 3.41Å; E213-R245 IonicContact OE2-NE 2.85Å; E213-R245 PolarHBondContact OE2-NE 3.31Å; E213-R245 IonicContact OE2-NH2 3.87Å; E213-R245 PolarHBondContact OE2-NH2 3Å
214I86.2Confident82.9Confident27 Ų2758 Ų5814%0.13830%0.296CS..  trans-89.4-33.3-174.5-59.3176.4000110.5P177 V180 A181 G208 Q212P177-I214 HydrophobicContact CB-CD1 4.29Å; P177-I214 HydrophobicContact CB-CG2 4.18Å; P177-I214 WeakPolarHBondContact O-CG2 3.36Å; V180-I214 HydrophobicContact CB-CG2 3.76Å; V180-I214 HydrophobicContact CG1-CG2 3.77Å; A181-I214 WeakPolarHBondContact CA-O 3.29Å; A181-I214 HydrophobicContact CB-CG2 4.46Å; A181-I214 VanDerWaalsContact CB-O 3.26Å; A181-I214 WeakPolarHBondContact CB-O 3.49Å; G208-I214 VanDerWaalsContact CA-CD1 3.42Å; Q212-I214 PolarHBondContact O-N 2.66Å
215L89.3Confident83Confident4 Ų461 Ų612%0.02131%0.31CS..SBendtrans-77.1146.2179.8-58.2178.7000110.8V180 L203 E213 F219 F220 R245V180-L215 HydrophobicContact CG1-CD2 3.81Å; L203-L215 HydrophobicContact CB-CD1 4.49Å; L203-L215 HydrophobicContact CB-CD2 4.27Å; L203-L215 HydrophobicContact CD2-CD2 3.88Å; L203-L215 WeakPolarHBondContact O-CD1 3.29Å; E213-L215 PolarHBondContact OE1-N 3.09Å; L215-F219 HydrophobicContact CD1-CD1 4.15Å; L215-F219 HydrophobicContact CD1-CE1 4.07Å; L215-F220 HydrophobicContact CB-CE1 4.32Å; L215-F220 HydrophobicContact CB-CE2 3.69Å; L215-F220 HydrophobicContact CB-CZ 3.61Å; L215-F220 HydrophobicContact CD1-CE1 3.63Å; L215-F220 HydrophobicContact CD1-CE2 4.47Å; L215-F220 HydrophobicContact CD1-CZ 3.59Å; L215-F220 HydrophobicContact CG-CZ 4.11Å; L215-R245 VanDerWaalsContact CD1-NH2 3.31Å
216Q84.1Confident83.1Confident68 Ų6859.6 Ų59.632%0.31830%0.304SS..  trans-70.7139177.7-62.2-59.4-73.200111.3S184 R185 E218 F219S184-Q216 WeakPolarHBondContact OG-CG 3.49Å; S184-Q216 PolarHBondContact OG-N 3.1Å; S184-Q216 VanDerWaalsContact OG-N 3.07Å; R185-Q216 HydrophobicContact CB-CG 4.21Å; Q216-E218 WeakPolarHBondContact CB-OE2 3.49Å; Q216-E218 PolarHBondContact O-N 3.03Å; Q216-F219 VanDerWaalsContact O-CB 3.32Å; Q216-F219 WeakPolarHBondContact O-CB 3.38Å; Q216-F219 PolarHBondContact O-N 2.96Å
217P89.4Confident83.6Confident62 Ų6259.7 Ų59.740%0.40330%0.303SS..Hα-helixtrans-53.5-39.6177.5-26.835.1000113.6F219 F220 E221P217-F219 PolarHBondContact O-N 3.12Å; P217-F220 PolarHBondContact O-N 3.44Å; P217-E221 PolarHBondContact O-N 3.31Å
218E87.9Confident84.7Confident106 Ų10656.5 Ų56.550%0.49529%0.289SS..Hα-helixtrans-60.8-29.8-179.7-59.478.2-173.300112V188 Q216 A222V188-E218 HydrophobicContact CG2-CB 4.48Å; Q216-E218 WeakPolarHBondContact CB-OE2 3.49Å; Q216-E218 PolarHBondContact O-N 3.03Å; E218-A222 WeakPolarHBondContact O-CB 3.28Å; E218-A222 PolarHBondContact O-N 3.16Å
219F90.1Very high86Confident0 Ų059.8 Ų59.80%030%0.299CS..Hα-helixtrans-68.6-46.7174.1174.8-98.4000111.4S184 C187 V188 I191 V200 L203 L204 L215 Q216 P217 E221 A222 V223S184-F219 VanDerWaalsContact O-CD2 3.3Å; S184-F219 WeakPolarHBondContact O-CD2 3.28Å; C187-F219 HydrophobicContact CB-CD2 4.17Å; C187-F219 HydrophobicContact CB-CE2 3.87Å; V188-F219 HydrophobicContact CG2-CB 4.04Å; V188-F219 HydrophobicContact CG2-CD2 4.46Å; I191-F219 HydrophobicContact CG2-CD2 4.49Å; I191-F219 HydrophobicContact CG2-CE2 4.2Å; V200-F219 HydrophobicContact CG1-CZ 4.01Å; L203-F219 HydrophobicContact CB-CE1 4.1Å; L203-F219 HydrophobicContact CB-CZ 3.91Å; L203-F219 HydrophobicContact CD1-CE2 3.93Å; L203-F219 HydrophobicContact CD1-CZ 3.77Å; L204-F219 HydrophobicContact CD2-CE1 3.91Å; L204-F219 HydrophobicContact CG-CE1 4.28Å; L215-F219 HydrophobicContact CD1-CD1 4.15Å; L215-F219 HydrophobicContact CD1-CE1 4.07Å; Q216-F219 VanDerWaalsContact O-CB 3.32Å; Q216-F219 WeakPolarHBondContact O-CB 3.38Å; Q216-F219 PolarHBondContact O-N 2.96Å; P217-F219 PolarHBondContact O-N 3.12Å; F219-E221 VanDerWaalsContact C-N 3.35Å; F219-E221 PolarHBondContact O-N 2.93Å; F219-A222 PolarHBondContact O-N 3.32Å; F219-V223 HydrophobicContact CD1-CG2 4.42Å; F219-V223 HydrophobicContact CD2-CG2 4.15Å; F219-V223 HydrophobicContact CE1-CG2 4.11Å; F219-V223 HydrophobicContact CE2-CG2 3.81Å; F219-V223 HydrophobicContact CG-CG2 4.45Å; F219-V223 HydrophobicContact CZ-CG2 3.8Å; F219-V223 WeakPolarHBondContact O-CB 3.35Å; F219-V223 WeakPolarHBondContact O-CG2 3.4Å; F219-V223 PolarHBondContact O-N 3.49Å
220F95.1Very high87.6Confident1 Ų157.8 Ų57.80%0.00430%0.295CS..Hα-helixtrans-63.8-41.5178-66.1-60.6000112.3L204 E213 L215 P217 N224 L242 R245 H246 S249L204-F220 HydrophobicContact CD2-CD1 3.92Å; L204-F220 HydrophobicContact CD2-CE1 3.89Å; E213-F220 HydrophobicContact CG-CE2 3.66Å; E213-F220 HydrophobicContact CG-CZ 4.05Å; L215-F220 HydrophobicContact CB-CE1 4.32Å; L215-F220 HydrophobicContact CB-CE2 3.69Å; L215-F220 HydrophobicContact CB-CZ 3.61Å; L215-F220 HydrophobicContact CD1-CE1 3.63Å; L215-F220 HydrophobicContact CD1-CE2 4.47Å; L215-F220 HydrophobicContact CD1-CZ 3.59Å; L215-F220 HydrophobicContact CG-CZ 4.11Å; P217-F220 PolarHBondContact O-N 3.44Å; F220-N224 VanDerWaalsContact O-CB 3.24Å; F220-N224 WeakPolarHBondContact O-CB 3Å; F220-N224 PolarHBondContact O-N 3.33Å; F220-L242 HydrophobicContact CB-CD1 3.81Å; F220-L242 HydrophobicContact CD1-CD1 3.45Å; F220-L242 VanDerWaalsContact CD1-CD1 3.45Å; F220-L242 HydrophobicContact CE1-CD1 4.39Å; F220-L242 HydrophobicContact CG-CD1 4.07Å; F220-R245 HydrophobicContact CE1-CB 4.21Å; F220-R245 HydrophobicContact CZ-CB 4.03Å; F220-H246 HydrophobicContact CB-CB 3.78Å; F220-H246 HydrophobicContact CD1-CB 4.16Å; F220-H246 HydrophobicContact CD2-CB 3.91Å; F220-H246 AromaticContact CD2-CD2 3.89Å; F220-H246 AromaticContact CD2-CG 3.94Å; F220-H246 HydrophobicContact CE2-CB 4.47Å; F220-H246 HydrophobicContact CG-CB 3.71Å; F220-H246 AromaticContact CG-CG 3.89Å; F220-S249 PolarHBondContact O-OG 3.07Å
221E94.1Very high88.7Confident105 Ų10558.6 Ų58.649%0.49130%0.297SS..Hα-helixtrans-62.2-50.2176.5-70.5-177-179.900111.2P217 F219 V223 N224 E225P217-E221 PolarHBondContact O-N 3.31Å; F219-E221 VanDerWaalsContact C-N 3.35Å; F219-E221 PolarHBondContact O-N 2.93Å; E221-V223 PolarHBondContact O-N 3.26Å; E221-N224 PolarHBondContact O-N 2.94Å; E221-E225 WeakPolarHBondContact O-CG 3.48Å; E221-E225 PolarHBondContact O-N 3.48Å
222A88.9Confident90Very high24 Ų2452.8 Ų52.820%0.19826%0.258CS..Hα-helixtrans-62.5-43.6-178.900000111.7V188 I191 E218 F219 E225 A226V188-A222 HydrophobicContact CG1-CB 3.99Å; I191-A222 HydrophobicContact CD1-CB 3.54Å; I191-A222 WeakPolarHBondContact CD1-O 3.34Å; E218-A222 WeakPolarHBondContact O-CB 3.28Å; E218-A222 PolarHBondContact O-N 3.16Å; F219-A222 PolarHBondContact O-N 3.32Å; A222-E225 PolarHBondContact O-N 2.91Å; A222-A226 WeakPolarHBondContact O-CB 3.25Å; A222-A226 PolarHBondContact O-N 3.03Å
223V95.7Very high90.7Very high0 Ų050.7 Ų50.70%026%0.26CS..Hα-helixtrans-64.7-42.5176.81760000111.1I191 V200 L204 F219 E221 E225 A226 I227 L234 L242I191-V223 HydrophobicContact CB-CG2 4.47Å; I191-V223 HydrophobicContact CD1-CG2 4.37Å; I191-V223 HydrophobicContact CG2-CG2 3.91Å; V200-V223 HydrophobicContact CG1-CG1 4.07Å; V200-V223 HydrophobicContact CG1-CG2 3.82Å; L204-V223 HydrophobicContact CD1-CG1 4.12Å; F219-V223 HydrophobicContact CD1-CG2 4.42Å; F219-V223 HydrophobicContact CD2-CG2 4.15Å; F219-V223 HydrophobicContact CE1-CG2 4.11Å; F219-V223 HydrophobicContact CE2-CG2 3.81Å; F219-V223 HydrophobicContact CG-CG2 4.45Å; F219-V223 HydrophobicContact CZ-CG2 3.8Å; F219-V223 WeakPolarHBondContact O-CB 3.35Å; F219-V223 WeakPolarHBondContact O-CG2 3.4Å; F219-V223 PolarHBondContact O-N 3.49Å; E221-V223 PolarHBondContact O-N 3.26Å; V223-E225 PolarHBondContact O-N 3.45Å; V223-A226 PolarHBondContact O-N 2.95Å; V223-I227 HydrophobicContact CG1-CD1 3.86Å; V223-I227 HydrophobicContact CG1-CG1 4.41Å; V223-I227 VanDerWaalsContact O-CG1 3.28Å; V223-I227 WeakPolarHBondContact O-CG1 3.42Å; V223-I227 PolarHBondContact O-N 3.43Å; V223-L234 HydrophobicContact CG1-CD1 3.96Å; V223-L242 HydrophobicContact CG1-CD2 4.33Å
224N96.4Very high91.1Very high1 Ų148 Ų481%0.00525%0.248CC..Hα-helixtrans-61.9-44.5177.1-165.764.1000111.5F220 E221 A226 I227 L228 L242 W243 S249F220-N224 VanDerWaalsContact O-CB 3.24Å; F220-N224 WeakPolarHBondContact O-CB 3Å; F220-N224 PolarHBondContact O-N 3.33Å; E221-N224 PolarHBondContact O-N 2.94Å; N224-A226 PolarHBondContact O-N 3.43Å; N224-I227 PolarHBondContact O-N 3.48Å; N224-L228 VanDerWaalsContact O-CG 3.31Å; N224-L228 WeakPolarHBondContact O-CG 3.38Å; N224-L228 PolarHBondContact O-N 3Å; N224-L242 HydrophobicContact CB-CD2 4.1Å; N224-W243 PolarHBondContact OD1-NE1 3.42Å; N224-W243 VanDerWaalsContact OD1-NE1 3.07Å; N224-S249 WeakPolarHBondContact CB-OG 3.46Å; N224-S249 VanDerWaalsContact CG-CB 3.49Å; N224-S249 PolarHBondContact ND2-O 3.34Å; N224-S249 PolarHBondContact OD1-O 3.3Å
225E94.1Very high91.4Very high61 Ų6149.1 Ų49.129%0.28526%0.257SS..Hα-helixtrans-58.9-45.4174-74.3-52.211300112.4E221 A222 V223 I227 L228 L229 K252E221-E225 WeakPolarHBondContact O-CG 3.48Å; E221-E225 PolarHBondContact O-N 3.48Å; A222-E225 PolarHBondContact O-N 2.91Å; V223-E225 PolarHBondContact O-N 3.45Å; E225-I227 VanDerWaalsContact C-N 3.28Å; E225-I227 PolarHBondContact O-N 3.04Å; E225-L228 PolarHBondContact O-N 3.24Å; E225-L229 WeakPolarHBondContact O-CB 3.42Å; E225-L229 VanDerWaalsContact O-CG 3.28Å; E225-L229 WeakPolarHBondContact O-CG 3.41Å; E225-L229 PolarHBondContact O-N 3.02Å; E225-K252 WeakPolarHBondContact OE1-CD 3.42Å; E225-K252 WeakPolarHBondContact OE1-CE 3.46Å; E225-K252 IonicContact OE1-NZ 3.53Å; E225-K252 PolarHBondContact OE1-NZ 3.38Å; E225-K252 IonicContact OE2-NZ 3.8Å
226A92.3Very high91.6Very high5 Ų552.4 Ų52.44%0.04127%0.273CS..Hα-helixtrans-61.2-38.4177.900000111.8I191 A222 V223 N224 K230 K231 I232I191-A226 HydrophobicContact CD1-CB 3.93Å; I191-A226 HydrophobicContact CG1-CB 4.42Å; A222-A226 WeakPolarHBondContact O-CB 3.25Å; A222-A226 PolarHBondContact O-N 3.03Å; V223-A226 PolarHBondContact O-N 2.95Å; N224-A226 PolarHBondContact O-N 3.43Å; A226-K230 PolarHBondContact O-N 3.02Å; A226-K230 VanDerWaalsContact O-N 3.15Å; A226-K231 HydrophobicContact CB-CB 4.38Å; A226-K231 PolarHBondContact O-N 3Å; A226-I232 HydrophobicContact CB-CB 4.31Å; A226-I232 HydrophobicContact CB-CG2 3.75Å
227I94.4Very high91.9Very high18 Ų1852.1 Ų52.19%0.09228%0.279CS..Hα-helixtrans-66.5-48.5175.6-68163.6000110.8V223 N224 E225 L229 K230 I232 L234 V239 L242V223-I227 HydrophobicContact CG1-CD1 3.86Å; V223-I227 HydrophobicContact CG1-CG1 4.41Å; V223-I227 VanDerWaalsContact O-CG1 3.28Å; V223-I227 WeakPolarHBondContact O-CG1 3.42Å; V223-I227 PolarHBondContact O-N 3.43Å; N224-I227 PolarHBondContact O-N 3.48Å; E225-I227 VanDerWaalsContact C-N 3.28Å; E225-I227 PolarHBondContact O-N 3.04Å; I227-L229 VanDerWaalsContact C-N 3.29Å; I227-L229 PolarHBondContact O-N 3.17Å; I227-K230 PolarHBondContact O-N 3.38Å; I227-I232 HydrophobicContact CB-CG2 4.44Å; I227-I232 HydrophobicContact CG1-CG2 3.64Å; I227-L234 HydrophobicContact CD1-CD1 4.24Å; I227-V239 HydrophobicContact CD1-CG2 4.35Å; I227-L242 HydrophobicContact CD1-CD2 3.63Å
228L93.1Very high92.1Very high24 Ų2449.2 Ų49.213%0.12626%0.259CS..Hα-helixtrans-62.5-38.2-178.9-67177.1000111.7N224 E225 K230 K252 A253 H256N224-L228 VanDerWaalsContact O-CG 3.31Å; N224-L228 WeakPolarHBondContact O-CG 3.38Å; N224-L228 PolarHBondContact O-N 3Å; E225-L228 PolarHBondContact O-N 3.24Å; L228-K230 VanDerWaalsContact C-N 3.25Å; L228-K230 PolarHBondContact O-N 3.4Å; L228-K252 HydrophobicContact CD1-CG 4.29Å; L228-A253 HydrophobicContact CD2-CB 4.01Å; L228-H256 HydrophobicContact CD1-CB 4.23Å; L228-H256 HydrophobicContact CD2-CB 4.34Å
229L90.4Very high92.5Very high99 Ų9944.5 Ų44.552%0.51824%0.238SC..THydrogen-bonded Turntrans-80.41.6174.7-63.5176.2000114E225 I227 K231E225-L229 WeakPolarHBondContact O-CB 3.42Å; E225-L229 VanDerWaalsContact O-CG 3.28Å; E225-L229 WeakPolarHBondContact O-CG 3.41Å; E225-L229 PolarHBondContact O-N 3.02Å; I227-L229 VanDerWaalsContact C-N 3.29Å; I227-L229 PolarHBondContact O-N 3.17Å; L229-K231 HydrophobicContact CB-CD 4.27Å; L229-K231 HydrophobicContact CB-CG 4.02Å; L229-K231 HydrophobicContact CD1-CD 4.41Å; L229-K231 PolarHBondContact O-N 2.82Å
230K90.4Very high92.7Very high126 Ų12645.8 Ų45.855%0.54825%0.246SC..THydrogen-bonded Turntrans55.431.1-178.6-53.3-64.9-177.7-176.60113.8A226 I227 L228 D278A226-K230 PolarHBondContact O-N 3.02Å; A226-K230 VanDerWaalsContact O-N 3.15Å; I227-K230 PolarHBondContact O-N 3.38Å; L228-K230 VanDerWaalsContact C-N 3.25Å; L228-K230 PolarHBondContact O-N 3.4Å; K230-D278 PolarHBondContact NZ-O 3.12Å
231K85.9Confident92.6Very high130 Ų13046.5 Ų46.557%0.56525%0.251SS*.  trans-83.5-19.5176.5-67.3-176.6178.2178.50113.3T192 A226 L229T192-K231 HydrophobicContact CG2-CB 4.15Å; T192-K231 HydrophobicContact CG2-CD 4.16Å; A226-K231 HydrophobicContact CB-CB 4.38Å; A226-K231 PolarHBondContact O-N 3Å; L229-K231 HydrophobicContact CB-CD 4.27Å; L229-K231 HydrophobicContact CB-CG 4.02Å; L229-K231 HydrophobicContact CD1-CD 4.41Å; L229-K231 PolarHBondContact O-N 2.82Å
232I91.2Very high92.7Very high15 Ų1541.5 Ų41.58%0.07723%0.227CC..  trans-129.6149.1178-165.6178.5000109.6I191 D197 V200 A226 I227 L234I191-I232 WeakPolarHBondContact O-CD1 3.21Å; D197-I232 WeakPolarHBondContact OD1-CG1 3.48Å; V200-I232 HydrophobicContact CB-CD1 4.43Å; V200-I232 HydrophobicContact CG1-CD1 4.1Å; V200-I232 HydrophobicContact CG2-CD1 4.5Å; A226-I232 HydrophobicContact CB-CB 4.31Å; A226-I232 HydrophobicContact CB-CG2 3.75Å; I227-I232 HydrophobicContact CB-CG2 4.44Å; I227-I232 HydrophobicContact CG1-CG2 3.64Å; I232-L234 HydrophobicContact CD1-CD1 3.95Å; I232-L234 HydrophobicContact CD1-CD2 3.69Å; I232-L234 HydrophobicContact CD1-CG 3.71Å; I232-L234 HydrophobicContact CG1-CD2 4.1Å; I232-L234 HydrophobicContact CG1-CG 3.99Å
233S90.3Very high93.1Very high106 Ų10640.7 Ų40.774%0.74122%0.219SC*.  trans-121.699.5174.5-166.70000109.9
234L93.2Very high92.9Very high25 Ų2543.9 Ų43.913%0.13124%0.236CC..  trans-104.4151.3179.2-66-179.7000111.3D197 V200 E201 L204 V223 I227 I232 A238D197-L234 HydrophobicContact CB-CD2 4.44Å; V200-L234 HydrophobicContact CB-CD2 4.46Å; V200-L234 HydrophobicContact CG1-CD1 3.84Å; V200-L234 HydrophobicContact CG1-CD2 4.3Å; E201-L234 HydrophobicContact CB-CD2 4.43Å; L204-L234 HydrophobicContact CD1-CD1 3.76Å; V223-L234 HydrophobicContact CG1-CD1 3.96Å; I227-L234 HydrophobicContact CD1-CD1 4.24Å; I232-L234 HydrophobicContact CD1-CD1 3.95Å; I232-L234 HydrophobicContact CD1-CD2 3.69Å; I232-L234 HydrophobicContact CD1-CG 3.71Å; I232-L234 HydrophobicContact CG1-CD2 4.1Å; I232-L234 HydrophobicContact CG1-CG 3.99Å; L234-A238 HydrophobicContact CB-CB 4.28Å
235P93.4Very high92.7Very high51 Ų5145.8 Ų45.833%0.33124%0.243SC..  trans-64.5152.1173.427.6-33.9000111.2E201 S237 A238 V239E201-P235 VanDerWaalsContact CD-CG 3.47Å; E201-P235 HydrophobicContact CG-CG 3.62Å; P235-S237 PolarHBondContact O-N 3.36Å; P235-S237 VanDerWaalsContact O-N 3.13Å; P235-A238 HydrophobicContact CG-CB 4.18Å; P235-A238 WeakPolarHBondContact O-CB 3.12Å; P235-A238 PolarHBondContact O-N 3.23Å; P235-V239 PolarHBondContact O-N 3.31Å
236M92.3Very high92.7Very high74 Ų7444 Ų4437%0.36523%0.234SC..Hα-helixtrans-57.5-33.2-175.9-166.45759.800113.1A238 V239 V240 Q283M236-A238 VanDerWaalsContact C-N 3.29Å; M236-A238 PolarHBondContact O-N 3.2Å; M236-V239 PolarHBondContact O-N 2.97Å; M236-V239 HydrophobicContact SD-CB 4.36Å; M236-V240 HydrophobicContact CG-CG2 4.44Å; M236-V240 WeakPolarHBondContact O-CG2 3.42Å; M236-V240 PolarHBondContact O-N 2.75Å; M236-Q283 HydrophobicContact CE-CB 3.93Å; M236-Q283 HydrophobicContact CE-CG 4.42Å; M236-Q283 HydrophobicContact CG-CB 4.3Å; M236-Q283 HydrophobicContact SD-CB 3.96Å
237S91.4Very high92.8Very high62 Ų6247.6 Ų47.643%0.43425%0.253SS..Hα-helixtrans-58-40.6174.849.30000112.5P235 C241P235-S237 PolarHBondContact O-N 3.36Å; P235-S237 VanDerWaalsContact O-N 3.13Å; S237-C241 PolarHBondContact O-N 3.29Å; S237-C241 PolarHBondContact O-SG 3.15Å
238A94.3Very high92.9Very high0 Ų049.8 Ų49.80%027%0.268CS..Hα-helixtrans-70.5-39.3178.500000111.8E201 L204 L234 P235 M236 C241 L242E201-A238 HydrophobicContact CG-CB 4.01Å; L204-A238 HydrophobicContact CB-CB 4.3Å; L204-A238 HydrophobicContact CD1-CB 3.97Å; L234-A238 HydrophobicContact CB-CB 4.28Å; P235-A238 HydrophobicContact CG-CB 4.18Å; P235-A238 WeakPolarHBondContact O-CB 3.12Å; P235-A238 PolarHBondContact O-N 3.23Å; M236-A238 VanDerWaalsContact C-N 3.29Å; M236-A238 PolarHBondContact O-N 3.2Å; A238-C241 PolarHBondContact O-N 2.96Å; A238-L242 WeakPolarHBondContact O-CB 3.32Å; A238-L242 PolarHBondContact O-N 3.07Å
239V95.3Very high93.1Very high7 Ų748.7 Ų48.74%0.04226%0.263CS..Hα-helixtrans-62.5-44.1174.7-178.20000111.1I227 P235 M236 L242 W243I227-V239 HydrophobicContact CD1-CG2 4.35Å; P235-V239 PolarHBondContact O-N 3.31Å; M236-V239 PolarHBondContact O-N 2.97Å; M236-V239 HydrophobicContact SD-CB 4.36Å; V239-L242 WeakPolarHBondContact O-CB 3.3Å; V239-L242 PolarHBondContact O-N 2.72Å; V239-W243 HydrophobicContact CG1-CD2 3.94Å; V239-W243 HydrophobicContact CG1-CE3 3.93Å; V239-W243 HydrophobicContact CG1-CH2 3.68Å; V239-W243 HydrophobicContact CG1-CZ2 3.68Å; V239-W243 HydrophobicContact CG1-CZ3 3.8Å; V239-W243 PolarHBondContact O-N 3.46Å; V239-W243 VanDerWaalsContact O-N 3.07Å
240V94.4Very high93.5Very high27 Ų2744.1 Ų44.116%0.16424%0.238CC..Hα-helixtrans-60.4-46.8174.5168.90000110.6M236 L242 W243 L244 A284 H287 I290M236-V240 HydrophobicContact CG-CG2 4.44Å; M236-V240 WeakPolarHBondContact O-CG2 3.42Å; M236-V240 PolarHBondContact O-N 2.75Å; V240-L242 VanDerWaalsContact C-N 3.35Å; V240-L242 PolarHBondContact O-N 3.35Å; V240-W243 PolarHBondContact O-N 2.97Å; V240-L244 HydrophobicContact CG1-CD1 3.68Å; V240-L244 HydrophobicContact CG1-CG 4.21Å; V240-L244 WeakPolarHBondContact O-CB 3.32Å; V240-L244 VanDerWaalsContact O-CG 3.25Å; V240-L244 WeakPolarHBondContact O-CG 3.18Å; V240-L244 PolarHBondContact O-N 2.8Å; V240-A284 HydrophobicContact CG2-CB 3.85Å; V240-H287 HydrophobicContact CG1-CB 4.34Å; V240-I290 HydrophobicContact CB-CD1 4.3Å; V240-I290 HydrophobicContact CG1-CD1 3.95Å; V240-I290 HydrophobicContact CG2-CD1 4.28Å
241C93.9Very high93.8Very high16 Ų1641.9 Ų41.911%0.10823%0.23CC..Hα-helixtrans-61.2-40.9177.1-72.10000112.7L204 S237 A238 L244 R245L204-C241 VanDerWaalsContact O-CB 3.22Å; L204-C241 WeakPolarHBondContact O-CB 3.32Å; S237-C241 PolarHBondContact O-N 3.29Å; S237-C241 PolarHBondContact O-SG 3.15Å; A238-C241 PolarHBondContact O-N 2.96Å; C241-L244 PolarHBondContact O-N 3.35Å; C241-R245 WeakPolarHBondContact O-CB 3.47Å; C241-R245 WeakPolarHBondContact O-CD 3.48Å; C241-R245 WeakPolarHBondContact O-CG 3.13Å; C241-R245 PolarHBondContact O-N 3.06Å; C241-R245 VanDerWaalsContact O-N 3.12Å
242L95.6Very high94.3Very high0 Ų040.3 Ų40.30%022%0.223CC..Hα-helixtrans-55.7-53.6174.3168.664.4000111L204 F220 V223 N224 I227 A238 V239 V240 L244 R245 H246L204-L242 HydrophobicContact CD1-CB 4.33Å; L204-L242 HydrophobicContact CD2-CB 3.97Å; L204-L242 HydrophobicContact CD2-CD1 4.11Å; F220-L242 HydrophobicContact CB-CD1 3.81Å; F220-L242 HydrophobicContact CD1-CD1 3.45Å; F220-L242 VanDerWaalsContact CD1-CD1 3.45Å; F220-L242 HydrophobicContact CE1-CD1 4.39Å; F220-L242 HydrophobicContact CG-CD1 4.07Å; V223-L242 HydrophobicContact CG1-CD2 4.33Å; N224-L242 HydrophobicContact CB-CD2 4.1Å; I227-L242 HydrophobicContact CD1-CD2 3.63Å; A238-L242 WeakPolarHBondContact O-CB 3.32Å; A238-L242 PolarHBondContact O-N 3.07Å; V239-L242 WeakPolarHBondContact O-CB 3.3Å; V239-L242 PolarHBondContact O-N 2.72Å; V240-L242 VanDerWaalsContact C-N 3.35Å; V240-L242 PolarHBondContact O-N 3.35Å; L242-L244 PolarHBondContact O-N 3.44Å; L242-R245 PolarHBondContact O-N 3.21Å; L242-H246 PolarHBondContact O-N 3.3Å
243W96.4Very high94.6Very high7 Ų739.8 Ų39.83%0.02722%0.221CC..Hα-helixtrans-72.8-26.1-175.8-66.9-18.1000114N224 V239 V240 L250 A253 L281 A284 I290N224-W243 PolarHBondContact OD1-NE1 3.42Å; N224-W243 VanDerWaalsContact OD1-NE1 3.07Å; V239-W243 HydrophobicContact CG1-CD2 3.94Å; V239-W243 HydrophobicContact CG1-CE3 3.93Å; V239-W243 HydrophobicContact CG1-CH2 3.68Å; V239-W243 HydrophobicContact CG1-CZ2 3.68Å; V239-W243 HydrophobicContact CG1-CZ3 3.8Å; V239-W243 PolarHBondContact O-N 3.46Å; V239-W243 VanDerWaalsContact O-N 3.07Å; V240-W243 PolarHBondContact O-N 2.97Å; W243-L250 HydrophobicContact CB-CB 3.99Å; W243-L250 HydrophobicContact CB-CD1 4.25Å; W243-L250 HydrophobicContact CB-CD2 4.43Å; W243-L250 HydrophobicContact CB-CG 4.46Å; W243-L250 HydrophobicContact CD2-CD1 3.9Å; W243-L250 HydrophobicContact CE3-CD1 3.93Å; W243-L250 HydrophobicContact CG-CB 4.04Å; W243-L250 HydrophobicContact CG-CD1 4.05Å; W243-A253 HydrophobicContact CH2-CB 4.49Å; W243-A253 HydrophobicContact CZ2-CB 3.78Å; W243-L281 HydrophobicContact CE3-CD2 4.41Å; W243-L281 HydrophobicContact CH2-CD2 3.95Å; W243-L281 HydrophobicContact CH2-CG 4.28Å; W243-L281 HydrophobicContact CZ3-CD2 3.81Å; W243-L281 HydrophobicContact CZ3-CG 4.4Å; W243-A284 HydrophobicContact CE3-CB 3.49Å; W243-A284 VanDerWaalsContact CE3-CB 3.49Å; W243-A284 HydrophobicContact CZ3-CB 3.34Å; W243-I290 HydrophobicContact CB-CD1 4.04Å; W243-I290 HydrophobicContact CB-CG1 4.47Å; W243-I290 HydrophobicContact CE3-CD1 4.45Å; W243-I290 HydrophobicContact CE3-CG2 4.49Å
244L92.9Very high94.9Very high67 Ų6734.7 Ų34.735%0.35119%0.186SC..Hα-helixtrans-72.9-30.8172.3-73175.8000113.3V240 C241 L242 A289 I290V240-L244 HydrophobicContact CG1-CD1 3.68Å; V240-L244 HydrophobicContact CG1-CG 4.21Å; V240-L244 WeakPolarHBondContact O-CB 3.32Å; V240-L244 VanDerWaalsContact O-CG 3.25Å; V240-L244 WeakPolarHBondContact O-CG 3.18Å; V240-L244 PolarHBondContact O-N 2.8Å; C241-L244 PolarHBondContact O-N 3.35Å; L242-L244 PolarHBondContact O-N 3.44Å; L244-A289 HydrophobicContact CD2-CB 3.77Å; L244-I290 HydrophobicContact CD2-CD1 4.24Å; L244-I290 HydrophobicContact CD2-CG1 3.75Å; L244-I290 HydrophobicContact CG-CD1 4.12Å; L244-I290 HydrophobicContact CG-CG1 4.16Å
245R91.7Very high95Very high41 Ų4138.5 Ų38.516%0.15521%0.206CC..Hα-helixtrans-93.4-28.9-175.7-68.417069.6175.36.3112.8L203 L204 C206 E213 L215 F220 C241 L242L203-R245 PolarHBondContact O-NH1 3.3Å; L204-R245 PolarHBondContact O-NH1 3.01Å; C206-R245 PolarHBondContact O-NH1 2.95Å; C206-R245 PolarHBondContact O-NH2 3.19Å; E213-R245 IonicContact OE1-CZ 3.51Å; E213-R245 IonicContact OE1-NE 2.96Å; E213-R245 IonicContact OE1-NH2 2.65Å; E213-R245 PolarHBondContact OE1-NH2 3.15Å; E213-R245 IonicContact OE2-CZ 3.41Å; E213-R245 IonicContact OE2-NE 2.85Å; E213-R245 PolarHBondContact OE2-NE 3.31Å; E213-R245 IonicContact OE2-NH2 3.87Å; E213-R245 PolarHBondContact OE2-NH2 3Å; L215-R245 VanDerWaalsContact CD1-NH2 3.31Å; F220-R245 HydrophobicContact CE1-CB 4.21Å; F220-R245 HydrophobicContact CZ-CB 4.03Å; C241-R245 WeakPolarHBondContact O-CB 3.47Å; C241-R245 WeakPolarHBondContact O-CD 3.48Å; C241-R245 WeakPolarHBondContact O-CG 3.13Å; C241-R245 PolarHBondContact O-N 3.06Å; C241-R245 VanDerWaalsContact O-N 3.12Å; L242-R245 PolarHBondContact O-N 3.21Å
246H94.1Very high95.1Very high23 Ų2338.2 Ų38.211%0.10620%0.2CC..  trans-130.391.8-176.3-165.2-112.2000111.3F220 L242 P248 S249F220-H246 HydrophobicContact CB-CB 3.78Å; F220-H246 HydrophobicContact CD1-CB 4.16Å; F220-H246 HydrophobicContact CD2-CB 3.91Å; F220-H246 AromaticContact CD2-CD2 3.89Å; F220-H246 AromaticContact CD2-CG 3.94Å; F220-H246 HydrophobicContact CE2-CB 4.47Å; F220-H246 HydrophobicContact CG-CB 3.71Å; F220-H246 AromaticContact CG-CG 3.89Å; L242-H246 PolarHBondContact O-N 3.3Å; H246-P248 VanDerWaalsContact C-CD 3.46Å; H246-S249 PolarHBondContact ND1-N 3.47Å; H246-S249 PolarHBondContact ND1-OG 3.35Å; H246-S249 WeakPolarHBondContact O-CB 3.44Å; H246-S249 PolarHBondContact O-N 2.86Å; H246-S249 VanDerWaalsContact O-N 3.07Å
247L94.9Very high95.1Very high81 Ų8134.8 Ų34.842%0.42418%0.183SC..Hα-helixtrans-53.3-43.5178.9177.562.8000113.5S249 L250 E251 V293L247-S249 PolarHBondContact O-N 3.29Å; L247-S249 VanDerWaalsContact O-N 3.12Å; L247-L250 WeakPolarHBondContact O-CB 3.44Å; L247-L250 PolarHBondContact O-N 3.28Å; L247-E251 HydrophobicContact CD1-CG 4.13Å; L247-E251 HydrophobicContact CG-CG 4.2Å; L247-E251 PolarHBondContact O-N 3.36Å; L247-V293 HydrophobicContact CD1-CB 4.48Å; L247-V293 HydrophobicContact CD1-CG1 3.65Å; L247-V293 HydrophobicContact CD1-CG2 4.01Å
248P96.4Very high95.2Very high64 Ų6433 Ų3342%0.41617%0.167SC..Hα-helixtrans-58.9-29.4178.7-24.634.3000113.5H246 K252H246-P248 VanDerWaalsContact C-CD 3.46Å; P248-K252 VanDerWaalsContact O-CB 3.24Å; P248-K252 WeakPolarHBondContact O-CB 3.09Å; P248-K252 PolarHBondContact O-N 3.3Å
249S96.9Very high95.1Very high2 Ų238.6 Ų38.61%0.01419%0.193CC..Hα-helixtrans-67.7-40.4175.2-70.70000112.1F220 N224 H246 L247 A253F220-S249 PolarHBondContact O-OG 3.07Å; N224-S249 WeakPolarHBondContact CB-OG 3.46Å; N224-S249 VanDerWaalsContact CG-CB 3.49Å; N224-S249 PolarHBondContact ND2-O 3.34Å; N224-S249 PolarHBondContact OD1-O 3.3Å; H246-S249 PolarHBondContact ND1-N 3.47Å; H246-S249 PolarHBondContact ND1-OG 3.35Å; H246-S249 WeakPolarHBondContact O-CB 3.44Å; H246-S249 PolarHBondContact O-N 2.86Å; H246-S249 VanDerWaalsContact O-N 3.07Å; L247-S249 PolarHBondContact O-N 3.29Å; L247-S249 VanDerWaalsContact O-N 3.12Å; S249-A253 PolarHBondContact O-N 2.82Å
250L97.8Very high94.8Very high2 Ų241.7 Ų41.71%0.0121%0.206CC..Hα-helixtrans-67.8-44.9176.2178.755.3000111.3W243 L247 K252 A253 M254 L281 I290 V293 V294W243-L250 HydrophobicContact CB-CB 3.99Å; W243-L250 HydrophobicContact CB-CD1 4.25Å; W243-L250 HydrophobicContact CB-CD2 4.43Å; W243-L250 HydrophobicContact CB-CG 4.46Å; W243-L250 HydrophobicContact CD2-CD1 3.9Å; W243-L250 HydrophobicContact CE3-CD1 3.93Å; W243-L250 HydrophobicContact CG-CB 4.04Å; W243-L250 HydrophobicContact CG-CD1 4.05Å; L247-L250 WeakPolarHBondContact O-CB 3.44Å; L247-L250 PolarHBondContact O-N 3.28Å; L250-K252 VanDerWaalsContact C-N 3.29Å; L250-K252 PolarHBondContact O-N 3.12Å; L250-A253 WeakPolarHBondContact O-CB 3.44Å; L250-A253 PolarHBondContact O-N 3.34Å; L250-A253 VanDerWaalsContact O-N 3.14Å; L250-M254 PolarHBondContact O-N 3.18Å; L250-L281 HydrophobicContact CD1-CD2 3.73Å; L250-I290 HydrophobicContact CD1-CG2 4.08Å; L250-I290 HydrophobicContact CD2-CB 4.46Å; L250-I290 HydrophobicContact CD2-CG1 4.49Å; L250-I290 HydrophobicContact CD2-CG2 4.02Å; L250-V293 HydrophobicContact CD2-CB 3.71Å; L250-V293 HydrophobicContact CD2-CG1 3.65Å; L250-V293 HydrophobicContact CD2-CG2 4.31Å; L250-V293 HydrophobicContact CG-CG1 4.12Å; L250-V294 HydrophobicContact CD1-CG2 4.12Å
251E96.9Very high94.5Very high79 Ų7940.9 Ų40.937%0.36920%0.201SC..Hα-helixtrans-58.4-44.1175.9-68.3174.715400111L247 A253 M254 L255 M297L247-E251 HydrophobicContact CD1-CG 4.13Å; L247-E251 HydrophobicContact CG-CG 4.2Å; L247-E251 PolarHBondContact O-N 3.36Å; E251-A253 VanDerWaalsContact C-N 3.34Å; E251-A253 PolarHBondContact O-N 3.38Å; E251-M254 WeakPolarHBondContact O-CB 3.42Å; E251-M254 PolarHBondContact O-N 3.08Å; E251-L255 WeakPolarHBondContact O-CG 3.47Å; E251-L255 PolarHBondContact O-N 3.15Å; E251-M297 HydrophobicContact CB-CE 4.22Å; E251-M297 HydrophobicContact CB-SD 4.23Å; E251-M297 HydrophobicContact CG-CE 4.48Å; E251-M297 HydrophobicContact CG-SD 4.05Å
252K96.9Very high94Very high98 Ų9846.7 Ų46.743%0.42623%0.229SC..Hα-helixtrans-64.5-36.6176.7-165.6168.7-166.9-173.50112.8E225 L228 P248 L250 M254 L255 H256E225-K252 WeakPolarHBondContact OE1-CD 3.42Å; E225-K252 WeakPolarHBondContact OE1-CE 3.46Å; E225-K252 IonicContact OE1-NZ 3.53Å; E225-K252 PolarHBondContact OE1-NZ 3.38Å; E225-K252 IonicContact OE2-NZ 3.8Å; L228-K252 HydrophobicContact CD1-CG 4.29Å; P248-K252 VanDerWaalsContact O-CB 3.24Å; P248-K252 WeakPolarHBondContact O-CB 3.09Å; P248-K252 PolarHBondContact O-N 3.3Å; L250-K252 VanDerWaalsContact C-N 3.29Å; L250-K252 PolarHBondContact O-N 3.12Å; K252-M254 VanDerWaalsContact C-N 3.35Å; K252-L255 PolarHBondContact O-N 2.88Å; K252-H256 VanDerWaalsContact O-CB 3.31Å; K252-H256 WeakPolarHBondContact O-CB 3.49Å; K252-H256 PolarHBondContact O-N 3.23Å
253A97Very high93.5Very high3 Ų351 Ų513%0.02526%0.26CS..Hα-helixtrans-64.3-39.8174.300000112.1L228 W243 S249 L250 E251 H256 L257 L281L228-A253 HydrophobicContact CD2-CB 4.01Å; W243-A253 HydrophobicContact CH2-CB 4.49Å; W243-A253 HydrophobicContact CZ2-CB 3.78Å; S249-A253 PolarHBondContact O-N 2.82Å; L250-A253 WeakPolarHBondContact O-CB 3.44Å; L250-A253 PolarHBondContact O-N 3.34Å; L250-A253 VanDerWaalsContact O-N 3.14Å; E251-A253 VanDerWaalsContact C-N 3.34Å; E251-A253 PolarHBondContact O-N 3.38Å; A253-H256 PolarHBondContact O-N 2.82Å; A253-L257 PolarHBondContact O-N 3.33Å; A253-L281 HydrophobicContact CB-CD2 4.48Å
254M96.7Very high92.6Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-66.1-45.5173.8-78.9-62.8-6500112.5L250 E251 K252 H256 L257 F258 L281 V294 M297 F298L250-M254 PolarHBondContact O-N 3.18Å; E251-M254 WeakPolarHBondContact O-CB 3.42Å; E251-M254 PolarHBondContact O-N 3.08Å; K252-M254 VanDerWaalsContact C-N 3.35Å; M254-H256 VanDerWaalsContact C-N 3.28Å; M254-H256 PolarHBondContact O-N 3Å; M254-L257 WeakPolarHBondContact O-CB 3.33Å; M254-L257 PolarHBondContact O-N 3.42Å; M254-L257 VanDerWaalsContact O-N 3.11Å; M254-F258 HydrophobicContact CE-CE2 4.06Å; M254-F258 HydrophobicContact CE-CZ 3.82Å; M254-F258 WeakPolarHBondContact O-CD2 3.31Å; M254-F258 PolarHBondContact O-N 2.83Å; M254-L281 HydrophobicContact CG-CD1 4.4Å; M254-L281 HydrophobicContact CG-CD2 4.36Å; M254-L281 HydrophobicContact SD-CD1 3.45Å; M254-L281 WeakPolarHBondContact SD-CD1 3.48Å; M254-L281 HydrophobicContact SD-CD2 4.07Å; M254-L281 HydrophobicContact SD-CG 4.36Å; M254-V294 HydrophobicContact CE-CG1 3.97Å; M254-V294 HydrophobicContact CG-CG2 4.24Å; M254-V294 HydrophobicContact SD-CB 4.23Å; M254-V294 HydrophobicContact SD-CG1 3.72Å; M254-V294 HydrophobicContact SD-CG2 3.92Å; M254-M297 HydrophobicContact CB-CE 3.47Å; M254-M297 VanDerWaalsContact CB-CE 3.47Å; M254-M297 HydrophobicContact CB-SD 3.41Å; M254-M297 WeakPolarHBondContact CB-SD 3.24Å; M254-M297 HydrophobicContact CE-CB 3.98Å; M254-M297 HydrophobicContact CG-CE 4.29Å; M254-M297 HydrophobicContact CG-SD 3.55Å; M254-M297 VanDerWaalsContact CG-SD 3.55Å; M254-F298 HydrophobicContact CE-CD1 4.32Å; M254-F298 HydrophobicContact CE-CD2 4.24Å; M254-F298 HydrophobicContact CE-CE1 4.05Å; M254-F298 HydrophobicContact CE-CE2 3.98Å; M254-F298 HydrophobicContact CE-CG 4.4Å; M254-F298 HydrophobicContact CE-CZ 3.88Å
255L95.3Very high91.2Very high105 Ų10557 Ų5755%0.5529%0.287SS..Hα-helixtrans-60.5-40175.5-70174.3000111.6E251 K252 L257 F258 E259 M297E251-L255 WeakPolarHBondContact O-CG 3.47Å; E251-L255 PolarHBondContact O-N 3.15Å; K252-L255 PolarHBondContact O-N 2.88Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 3.39Å; L255-F258 PolarHBondContact O-N 3.21Å; L255-E259 WeakPolarHBondContact O-CB 3.34Å; L255-E259 PolarHBondContact O-N 2.91Å; L255-M297 HydrophobicContact CD2-CE 4.46Å; L255-M297 HydrophobicContact CG-CE 4.29Å
256H94.9Very high90Very high45 Ų4564.6 Ų64.621%0.20832%0.315CS..Hα-helixtrans-64.4-34.9175.2-173.667.7000112.7L228 K252 A253 M254 E259 K260L228-H256 HydrophobicContact CD1-CB 4.23Å; L228-H256 HydrophobicContact CD2-CB 4.34Å; K252-H256 VanDerWaalsContact O-CB 3.31Å; K252-H256 WeakPolarHBondContact O-CB 3.49Å; K252-H256 PolarHBondContact O-N 3.23Å; A253-H256 PolarHBondContact O-N 2.82Å; M254-H256 VanDerWaalsContact C-N 3.28Å; M254-H256 PolarHBondContact O-N 3Å; H256-E259 IonicContact ND1-OE2 2.79Å; H256-K260 WeakPolarHBondContact NE2-CE 3.49Å; H256-K260 PolarHBondContact NE2-NZ 3.07Å; H256-K260 WeakPolarHBondContact O-CG 3.14Å; H256-K260 PolarHBondContact O-N 3.3Å; H256-K260 VanDerWaalsContact O-N 3.13Å
257L94.1Very high88.6Confident2 Ų266.9 Ų66.91%0.0133%0.328CS..Hα-helixtrans-64-48171.1174.263.7000110.8A253 M254 L255 E259 K260 L261 F275 I276 L281A253-L257 PolarHBondContact O-N 3.33Å; M254-L257 WeakPolarHBondContact O-CB 3.33Å; M254-L257 PolarHBondContact O-N 3.42Å; M254-L257 VanDerWaalsContact O-N 3.11Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 3.39Å; L257-E259 VanDerWaalsContact C-N 3.34Å; L257-E259 PolarHBondContact O-N 3.21Å; L257-K260 PolarHBondContact O-N 2.95Å; L257-L261 HydrophobicContact CD1-CD1 4.04Å; L257-L261 HydrophobicContact CD1-CG 4.25Å; L257-L261 HydrophobicContact CG-CD1 3.87Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.34Å; L257-L261 PolarHBondContact O-N 3.38Å; L257-F275 HydrophobicContact CD1-CB 4.02Å; L257-I276 HydrophobicContact CD1-CG1 4.25Å; L257-I276 HydrophobicContact CD2-CG1 4.33Å; L257-L281 HydrophobicContact CB-CD1 4.3Å; L257-L281 HydrophobicContact CD2-CD1 3.77Å
258F92.1Very high87.6Confident25 Ų2566.4 Ų66.411%0.1133%0.331CS..Hα-helixtrans-60.4-42.9177.3-67.9-46.1000112.2M254 L255 K260 L261 I262 F298 A301M254-F258 HydrophobicContact CE-CE2 4.06Å; M254-F258 HydrophobicContact CE-CZ 3.82Å; M254-F258 WeakPolarHBondContact O-CD2 3.31Å; M254-F258 PolarHBondContact O-N 2.83Å; L255-F258 PolarHBondContact O-N 3.21Å; F258-K260 VanDerWaalsContact C-N 3.32Å; F258-K260 PolarHBondContact O-N 3.13Å; F258-L261 HydrophobicContact CD1-CD1 4.35Å; F258-L261 PolarHBondContact O-N 3Å; F258-L261 VanDerWaalsContact O-N 3.13Å; F258-I262 WeakPolarHBondContact O-CB 3.48Å; F258-I262 WeakPolarHBondContact O-CD1 3.22Å; F258-I262 VanDerWaalsContact O-CG1 3.25Å; F258-I262 WeakPolarHBondContact O-CG1 3.22Å; F258-I262 PolarHBondContact O-N 3.34Å; F258-F298 AromaticContact CE1-CD1 3.95Å; F258-F298 HydrophobicContact CE1-CD1 3.95Å; F258-F298 AromaticContact CE1-CE1 3.79Å; F258-F298 HydrophobicContact CE1-CE1 3.79Å; F258-F298 AromaticContact CZ-CD1 3.89Å; F258-F298 HydrophobicContact CZ-CD1 3.89Å; F258-F298 HydrophobicContact CZ-CE1 4.04Å; F258-A301 HydrophobicContact CE1-CB 4.24Å; F258-A301 HydrophobicContact CE2-CB 4.29Å; F258-A301 HydrophobicContact CZ-CB 3.8Å
259E91.9Very high86.8Confident117 Ų11768.2 Ų68.255%0.54734%0.337SS..Hα-helixtrans-58.3-43.4176.2-173.3-179.4-166.400111.8L255 H256 L257 I262 S263L255-E259 WeakPolarHBondContact O-CB 3.34Å; L255-E259 PolarHBondContact O-N 2.91Å; H256-E259 IonicContact ND1-OE2 2.79Å; L257-E259 VanDerWaalsContact C-N 3.34Å; L257-E259 PolarHBondContact O-N 3.21Å; E259-I262 PolarHBondContact O-N 3.07Å; E259-S263 VanDerWaalsContact O-CB 3.24Å; E259-S263 WeakPolarHBondContact O-CB 3.4Å; E259-S263 PolarHBondContact O-N 3.08Å; E259-S263 PolarHBondContact O-OG 3.42Å
260K89.7Confident86.3Confident72 Ų7277.5 Ų77.531%0.31337%0.372SS..Hα-helixtrans-63.8-38.9175-79.2179.4169.1163.60112.9H256 L257 F258 F275H256-K260 WeakPolarHBondContact NE2-CE 3.49Å; H256-K260 PolarHBondContact NE2-NZ 3.07Å; H256-K260 WeakPolarHBondContact O-CG 3.14Å; H256-K260 PolarHBondContact O-N 3.3Å; H256-K260 VanDerWaalsContact O-N 3.13Å; L257-K260 PolarHBondContact O-N 2.95Å; F258-K260 VanDerWaalsContact C-N 3.32Å; F258-K260 PolarHBondContact O-N 3.13Å; K260-F275 HydrophobicContact CB-CD1 4.42Å; K260-F275 HydrophobicContact CB-CG 4.41Å; K260-F275 HydrophobicContact CD-CD1 4.38Å
261L87.8Confident85.7Confident10 Ų1082.4 Ų82.45%0.05239%0.39CS..Hα-helixtrans-69.7-40.5178.5-69.5164.8000111.8L257 F258 N267 I272 F275 T314L257-L261 HydrophobicContact CD1-CD1 4.04Å; L257-L261 HydrophobicContact CD1-CG 4.25Å; L257-L261 HydrophobicContact CG-CD1 3.87Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.34Å; L257-L261 PolarHBondContact O-N 3.38Å; F258-L261 HydrophobicContact CD1-CD1 4.35Å; F258-L261 PolarHBondContact O-N 3Å; F258-L261 VanDerWaalsContact O-N 3.13Å; L261-N267 PolarHBondContact O-ND2 3.07Å; L261-N267 PolarHBondContact O-OD1 3.45Å; L261-I272 HydrophobicContact CD2-CB 4.22Å; L261-I272 HydrophobicContact CD2-CG1 3.97Å; L261-I272 HydrophobicContact CD2-CG2 4.01Å; L261-F275 HydrophobicContact CD2-CD2 4Å; L261-T314 HydrophobicContact CD1-CG2 3.43Å; L261-T314 VanDerWaalsContact CD1-CG2 3.43Å
262I83.8Confident85.4Confident137 Ų13778.9 Ų78.970%0.70337%0.373SS*.Hα-helixtrans-72.7-39.6179.8-65.5163.2000111.2F258 E259 S264F258-I262 WeakPolarHBondContact O-CB 3.48Å; F258-I262 WeakPolarHBondContact O-CD1 3.22Å; F258-I262 VanDerWaalsContact O-CG1 3.25Å; F258-I262 WeakPolarHBondContact O-CG1 3.22Å; F258-I262 PolarHBondContact O-N 3.34Å; E259-I262 PolarHBondContact O-N 3.07Å; I262-S264 PolarHBondContact O-N 3.34Å; I262-S264 VanDerWaalsContact O-N 3.16Å
263S84.4Confident85.2Confident91 Ų9177 Ų7764%0.63637%0.366SS*.THydrogen-bonded Turntrans-71.8-6.1-178.6-56.80000113.7E259E259-S263 VanDerWaalsContact O-CB 3.24Å; E259-S263 WeakPolarHBondContact O-CB 3.4Å; E259-S263 PolarHBondContact O-N 3.08Å; E259-S263 PolarHBondContact O-OG 3.42Å
264S78.4Confident84.9Confident7 Ų779.9 Ų79.95%0.04939%0.385CS..  trans-86.2110.7-179.1164.30000111.1I262 R266 N267 R271I262-S264 PolarHBondContact O-N 3.34Å; I262-S264 VanDerWaalsContact O-N 3.16Å; S264-R266 PolarHBondContact O-N 2.98Å; S264-R266 PolarHBondContact OG-O 2.92Å; S264-N267 WeakPolarHBondContact CB-OD1 3.31Å; S264-N267 PolarHBondContact O-OD1 2.93Å; S264-N267 PolarHBondContact OG-OD1 3.4Å; S264-N267 VanDerWaalsContact OG-OD1 3.08Å; S264-R271 WeakPolarHBondContact OG-CD 3.46Å; S264-R271 VanDerWaalsContact OG-CZ 3.29Å; S264-R271 PolarHBondContact OG-NE 2.77Å; S264-R271 PolarHBondContact OG-NH1 3.19Å; S264-R271 VanDerWaalsContact OG-NH1 3.1Å
265E63.2Low84.8Confident192 Ų19281.7 Ų81.790%0.89739%0.393SS*.SBendtrans-58.1-18.5178.7-68.1-177165.600115.1
266R66.6Low84.8Confident201 Ų20176.7 Ų76.776%0.75837%0.367SS*.  trans-139.6102.3178.6-66.7-174-174.6173.12.5110.3S264 C268S264-R266 PolarHBondContact O-N 2.98Å; S264-R266 PolarHBondContact OG-O 2.92Å; R266-C268 PolarHBondContact O-N 3.26Å; R266-C268 VanDerWaalsContact O-N 3.16Å
267N64.4Low84.7Confident71 Ų7178.2 Ų78.238%0.3837%0.373SS..  trans-84.682175.8-68.9-20.6000110L261 S264L261-N267 PolarHBondContact O-ND2 3.07Å; L261-N267 PolarHBondContact O-OD1 3.45Å; S264-N267 WeakPolarHBondContact CB-OD1 3.31Å; S264-N267 PolarHBondContact O-OD1 2.93Å; S264-N267 PolarHBondContact OG-OD1 3.4Å; S264-N267 VanDerWaalsContact OG-OD1 3.08Å
268C73.8Confident84.6Confident71 Ų7182.6 Ų82.648%0.4840%0.397SS..  trans-91.3147.5164.165.90000110R266 R270 R271 I272R266-C268 PolarHBondContact O-N 3.26Å; R266-C268 VanDerWaalsContact O-N 3.16Å; C268-R270 PolarHBondContact O-N 3.3Å; C268-R270 VanDerWaalsContact O-N 3.16Å; C268-R271 WeakPolarHBondContact O-CB 3.24Å; C268-R271 PolarHBondContact O-N 3.18Å; C268-I272 PolarHBondContact O-N 2.95Å
269L80.8Confident84.7Confident102 Ų10282.6 Ų82.653%0.53440%0.4SS..Hα-helixtrans-50.6-42.8-177.1-68.9173.4000112.8R271 I272 E273 A313 V317L269-R271 VanDerWaalsContact C-N 3.26Å; L269-R271 PolarHBondContact O-N 3.4Å; L269-I272 WeakPolarHBondContact O-CB 3.47Å; L269-I272 PolarHBondContact O-N 3.45Å; L269-E273 WeakPolarHBondContact O-CB 3.45Å; L269-E273 PolarHBondContact O-N 2.98Å; L269-A313 HydrophobicContact CD2-CB 4.15Å; L269-V317 HydrophobicContact CD2-CG2 4.15Å
270R85.2Confident84.7Confident198 Ų19878.3 Ų78.375%0.74738%0.383SS*.Hα-helixtrans-59.2-35.2177.6-172177.5179.3-177.91.5113.1C268 C274C268-R270 PolarHBondContact O-N 3.3Å; C268-R270 VanDerWaalsContact O-N 3.16Å; R270-C274 PolarHBondContact O-N 3.33Å; R270-C274 VanDerWaalsContact O-N 3.08Å; R270-C274 PolarHBondContact O-SG 3.37Å
271R86.8Confident85Confident104 Ų10474.9 Ų74.939%0.39237%0.368SS..Hα-helixtrans-76.9-39.2179.7-169.1175-174179.22.6111.5S264 C268 L269 E273 C274 F275S264-R271 WeakPolarHBondContact OG-CD 3.46Å; S264-R271 VanDerWaalsContact OG-CZ 3.29Å; S264-R271 PolarHBondContact OG-NE 2.77Å; S264-R271 PolarHBondContact OG-NH1 3.19Å; S264-R271 VanDerWaalsContact OG-NH1 3.1Å; C268-R271 WeakPolarHBondContact O-CB 3.24Å; C268-R271 PolarHBondContact O-N 3.18Å; L269-R271 VanDerWaalsContact C-N 3.26Å; L269-R271 PolarHBondContact O-N 3.4Å; R271-E273 VanDerWaalsContact C-N 3.27Å; R271-E273 PolarHBondContact O-N 2.99Å; R271-C274 PolarHBondContact O-N 3.12Å; R271-F275 HydrophobicContact CG-CD2 4.26Å; R271-F275 HydrophobicContact CG-CE2 3.71Å; R271-F275 HydrophobicContact CG-CZ 4.05Å; R271-F275 WeakPolarHBondContact O-CD2 3.48Å; R271-F275 PolarHBondContact O-N 2.99Å
272I90.4Very high85.4Confident5 Ų574.4 Ų74.43%0.02637%0.365CS..Hα-helixtrans-56.8-46.8171.1-62.6176000109.2L261 C268 L269 C274 F275 I276 A313 T314 V317L261-I272 HydrophobicContact CD2-CB 4.22Å; L261-I272 HydrophobicContact CD2-CG1 3.97Å; L261-I272 HydrophobicContact CD2-CG2 4.01Å; C268-I272 PolarHBondContact O-N 2.95Å; L269-I272 WeakPolarHBondContact O-CB 3.47Å; L269-I272 PolarHBondContact O-N 3.45Å; I272-C274 PolarHBondContact O-N 3.07Å; I272-F275 PolarHBondContact O-N 2.8Å; I272-I276 HydrophobicContact CG2-CD1 3.66Å; I272-I276 HydrophobicContact CG2-CG1 4.41Å; I272-I276 WeakPolarHBondContact O-CB 3.37Å; I272-I276 WeakPolarHBondContact O-CG1 3.25Å; I272-I276 PolarHBondContact O-N 3.46Å; I272-A313 HydrophobicContact CD1-CB 4.28Å; I272-T314 HydrophobicContact CG2-CG2 4.46Å; I272-V317 HydrophobicContact CG2-CB 4.02Å; I272-V317 HydrophobicContact CG2-CG1 4.19Å; I272-V317 HydrophobicContact CG2-CG2 4.14Å
273E92.1Very high85.9Confident59 Ų5971.4 Ų71.428%0.27635%0.348SS..Hα-helixtrans-58.9-44.8177.1-167.8-167.1163.400112.5L269 R271 I276 K277 V317L269-E273 WeakPolarHBondContact O-CB 3.45Å; L269-E273 PolarHBondContact O-N 2.98Å; R271-E273 VanDerWaalsContact C-N 3.27Å; R271-E273 PolarHBondContact O-N 2.99Å; E273-I276 PolarHBondContact O-N 3.02Å; E273-K277 HydrophobicContact CG-CD 4.13Å; E273-K277 WeakPolarHBondContact O-CB 3.47Å; E273-K277 WeakPolarHBondContact O-CG 3.42Å; E273-K277 PolarHBondContact O-N 3.22Å; E273-K277 WeakPolarHBondContact OE1-CE 3.04Å; E273-K277 IonicContact OE1-NZ 3.69Å; E273-K277 PolarHBondContact OE1-NZ 3.4Å; E273-V317 VanDerWaalsContact CA-CG1 3.44Å; E273-V317 HydrophobicContact CB-CG1 3.67Å; E273-V317 HydrophobicContact CG-CG1 3.98Å
274C91.7Very high86.3Confident63 Ų6367 Ų6743%0.42632%0.318SS..Hα-helixtrans-58-49.6174.5-70.40000111.8R270 R271 I272 I276 K277 D278R270-C274 PolarHBondContact O-N 3.33Å; R270-C274 VanDerWaalsContact O-N 3.08Å; R270-C274 PolarHBondContact O-SG 3.37Å; R271-C274 PolarHBondContact O-N 3.12Å; I272-C274 PolarHBondContact O-N 3.07Å; C274-I276 VanDerWaalsContact C-N 3.33Å; C274-I276 PolarHBondContact O-N 3.11Å; C274-K277 PolarHBondContact O-N 2.74Å; C274-D278 VanDerWaalsContact O-CB 3.32Å; C274-D278 WeakPolarHBondContact O-CB 3.5Å; C274-D278 PolarHBondContact O-N 3.46Å
275F92.9Very high87.1Confident38 Ų3866.7 Ų66.717%0.16732%0.316CS..Hα-helixtrans-63.1-39.8-179.8-66.2-41000112.8L257 K260 L261 R271 I272 D278 S279L257-F275 HydrophobicContact CD1-CB 4.02Å; K260-F275 HydrophobicContact CB-CD1 4.42Å; K260-F275 HydrophobicContact CB-CG 4.41Å; K260-F275 HydrophobicContact CD-CD1 4.38Å; L261-F275 HydrophobicContact CD2-CD2 4Å; R271-F275 HydrophobicContact CG-CD2 4.26Å; R271-F275 HydrophobicContact CG-CE2 3.71Å; R271-F275 HydrophobicContact CG-CZ 4.05Å; R271-F275 WeakPolarHBondContact O-CD2 3.48Å; R271-F275 PolarHBondContact O-N 2.99Å; I272-F275 PolarHBondContact O-N 2.8Å; F275-D278 PolarHBondContact O-N 3.06Å; F275-S279 WeakPolarHBondContact O-CB 3.16Å; F275-S279 PolarHBondContact O-N 2.99Å; F275-S279 VanDerWaalsContact O-N 3.09Å
276I94.9Very high88.5Confident0 Ų058 Ų580%028%0.276CS..Hα-helixtrans-64.4-47176.6-74.4174.3000110.7L257 I272 E273 C274 D278 S279 P282 T314 V317 F318 C321L257-I276 HydrophobicContact CD1-CG1 4.25Å; L257-I276 HydrophobicContact CD2-CG1 4.33Å; I272-I276 HydrophobicContact CG2-CD1 3.66Å; I272-I276 HydrophobicContact CG2-CG1 4.41Å; I272-I276 WeakPolarHBondContact O-CB 3.37Å; I272-I276 WeakPolarHBondContact O-CG1 3.25Å; I272-I276 PolarHBondContact O-N 3.46Å; E273-I276 PolarHBondContact O-N 3.02Å; C274-I276 VanDerWaalsContact C-N 3.33Å; C274-I276 PolarHBondContact O-N 3.11Å; I276-D278 VanDerWaalsContact C-N 3.34Å; I276-D278 PolarHBondContact O-N 2.86Å; I276-S279 WeakPolarHBondContact O-CB 3.37Å; I276-S279 PolarHBondContact O-N 3.19Å; I276-S279 PolarHBondContact O-OG 3.29Å; I276-P282 HydrophobicContact CG2-CG 3.49Å; I276-P282 VanDerWaalsContact CG2-CG 3.49Å; I276-P282 WeakPolarHBondContact O-CD 3.28Å; I276-T314 HydrophobicContact CD1-CG2 4.02Å; I276-T314 WeakPolarHBondContact CD1-O 3.47Å; I276-V317 HydrophobicContact CD1-CB 3.8Å; I276-V317 HydrophobicContact CD1-CG1 3.71Å; I276-F318 HydrophobicContact CD1-CB 4.03Å; I276-F318 HydrophobicContact CG2-CB 4.46Å; I276-F318 HydrophobicContact CG2-CD2 4.3Å; I276-C321 HydrophobicContact CG2-CB 3.94Å
277K93.3Very high89.7Confident77 Ų7751.1 Ų51.134%0.33525%0.252SS..Hα-helixtrans-64.1-39.1177.6-73.7-178.8174.5177.50111.9E273 C274 S279 C321 E324E273-K277 HydrophobicContact CG-CD 4.13Å; E273-K277 WeakPolarHBondContact O-CB 3.47Å; E273-K277 WeakPolarHBondContact O-CG 3.42Å; E273-K277 PolarHBondContact O-N 3.22Å; E273-K277 WeakPolarHBondContact OE1-CE 3.04Å; E273-K277 IonicContact OE1-NZ 3.69Å; E273-K277 PolarHBondContact OE1-NZ 3.4Å; C274-K277 PolarHBondContact O-N 2.74Å; K277-S279 VanDerWaalsContact C-N 3.26Å; K277-S279 PolarHBondContact O-N 3.37Å; K277-C321 VanDerWaalsContact CE-SG 3.54Å; K277-E324 IonicContact NZ-OE2 2.65Å
278D92.2Very high91.1Very high95 Ų9548.4 Ų48.451%0.50824%0.238SC..Hα-helixtrans-69.3-22.5178.9-72.5-13.6000113.5K230 C274 F275 I276 S280K230-D278 PolarHBondContact NZ-O 3.12Å; C274-D278 VanDerWaalsContact O-CB 3.32Å; C274-D278 WeakPolarHBondContact O-CB 3.5Å; C274-D278 PolarHBondContact O-N 3.46Å; F275-D278 PolarHBondContact O-N 3.06Å; I276-D278 VanDerWaalsContact C-N 3.34Å; I276-D278 PolarHBondContact O-N 2.86Å; D278-S280 VanDerWaalsContact C-N 3.32Å; D278-S280 PolarHBondContact O-N 2.65Å
279S93.8Very high92Very high24 Ų2447.3 Ų47.317%0.16824%0.235CC..THydrogen-bonded Turntrans-73.9-17.4-17876.10000114.5F275 I276 K277 L281F275-S279 WeakPolarHBondContact O-CB 3.16Å; F275-S279 PolarHBondContact O-N 2.99Å; F275-S279 VanDerWaalsContact O-N 3.09Å; I276-S279 WeakPolarHBondContact O-CB 3.37Å; I276-S279 PolarHBondContact O-N 3.19Å; I276-S279 PolarHBondContact O-OG 3.29Å; K277-S279 VanDerWaalsContact C-N 3.26Å; K277-S279 PolarHBondContact O-N 3.37Å; S279-L281 PolarHBondContact O-N 2.88Å; S279-L281 VanDerWaalsContact O-N 3.08Å; S279-L281 WeakPolarHBondContact OG-CB 3.34Å; S279-L281 PolarHBondContact OG-N 2.81Å
280S92.9Very high92.7Very high27 Ų2742.5 Ų42.519%0.18921%0.21CC..  trans62.8-1.6-170.3-53.30000115.8D278 Q283 A284D278-S280 VanDerWaalsContact C-N 3.32Å; D278-S280 PolarHBondContact O-N 2.65Å; S280-Q283 VanDerWaalsContact CA-OE1 3.3Å; S280-Q283 PolarHBondContact O-N 3.14Å; S280-Q283 PolarHBondContact O-OE1 3.29Å; S280-A284 PolarHBondContact O-N 3.33Å
281L96.3Very high93.2Very high1 Ų133.1 Ų33.11%0.00517%0.174CC..Hα-helixtrans-60.8-44.1179.9-69.6162000112.9W243 L250 A253 M254 L257 S279 Q283 A284 A285 V294 F318W243-L281 HydrophobicContact CE3-CD2 4.41Å; W243-L281 HydrophobicContact CH2-CD2 3.95Å; W243-L281 HydrophobicContact CH2-CG 4.28Å; W243-L281 HydrophobicContact CZ3-CD2 3.81Å; W243-L281 HydrophobicContact CZ3-CG 4.4Å; L250-L281 HydrophobicContact CD1-CD2 3.73Å; A253-L281 HydrophobicContact CB-CD2 4.48Å; M254-L281 HydrophobicContact CG-CD1 4.4Å; M254-L281 HydrophobicContact CG-CD2 4.36Å; M254-L281 HydrophobicContact SD-CD1 3.45Å; M254-L281 WeakPolarHBondContact SD-CD1 3.48Å; M254-L281 HydrophobicContact SD-CD2 4.07Å; M254-L281 HydrophobicContact SD-CG 4.36Å; L257-L281 HydrophobicContact CB-CD1 4.3Å; L257-L281 HydrophobicContact CD2-CD1 3.77Å; S279-L281 PolarHBondContact O-N 2.88Å; S279-L281 VanDerWaalsContact O-N 3.08Å; S279-L281 WeakPolarHBondContact OG-CB 3.34Å; S279-L281 PolarHBondContact OG-N 2.81Å; L281-Q283 VanDerWaalsContact C-N 3.3Å; L281-Q283 PolarHBondContact O-N 3Å; L281-A284 PolarHBondContact O-N 3.48Å; L281-A285 WeakPolarHBondContact O-CB 3.4Å; L281-A285 PolarHBondContact O-N 2.73Å; L281-V294 HydrophobicContact CD2-CG2 4.02Å; L281-F318 HydrophobicContact CB-CE2 4.01Å
282P95.3Very high93.6Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-60-40.1179.1-24.134000113I276 F318 C321 F322I276-P282 HydrophobicContact CG2-CG 3.49Å; I276-P282 VanDerWaalsContact CG2-CG 3.49Å; I276-P282 WeakPolarHBondContact O-CD 3.28Å; P282-F318 HydrophobicContact CB-CE2 4.45Å; P282-F318 HydrophobicContact CG-CD2 4.1Å; P282-F318 HydrophobicContact CG-CE2 4.11Å; P282-C321 HydrophobicContact CB-CB 3.8Å; P282-C321 HydrophobicContact CG-CB 3.72Å; P282-F322 HydrophobicContact CB-CB 4.49Å
283Q93.8Very high93.8Very high73 Ų7335.7 Ų35.734%0.34119%0.188SC..Hα-helixtrans-69.9-43.4179.3-63.781.80.100111.2M236 S280 L281 C286 A325M236-Q283 HydrophobicContact CE-CB 3.93Å; M236-Q283 HydrophobicContact CE-CG 4.42Å; M236-Q283 HydrophobicContact CG-CB 4.3Å; M236-Q283 HydrophobicContact SD-CB 3.96Å; S280-Q283 VanDerWaalsContact CA-OE1 3.3Å; S280-Q283 PolarHBondContact O-N 3.14Å; S280-Q283 PolarHBondContact O-OE1 3.29Å; L281-Q283 VanDerWaalsContact C-N 3.3Å; L281-Q283 PolarHBondContact O-N 3Å; Q283-C286 VanDerWaalsContact O-CB 3.28Å; Q283-C286 WeakPolarHBondContact O-CB 3.26Å; Q283-C286 PolarHBondContact O-N 3.23Å; Q283-C286 PolarHBondContact O-SG 2.88Å; Q283-C286 VanDerWaalsContact O-SG 3.42Å; Q283-A325 HydrophobicContact CG-CB 4.36Å
284A94.2Very high94.1Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-69.5-34.317800000112.6V240 W243 S280 L281 C286 H287 I290V240-A284 HydrophobicContact CG2-CB 3.85Å; W243-A284 HydrophobicContact CE3-CB 3.49Å; W243-A284 VanDerWaalsContact CE3-CB 3.49Å; W243-A284 HydrophobicContact CZ3-CB 3.34Å; S280-A284 PolarHBondContact O-N 3.33Å; L281-A284 PolarHBondContact O-N 3.48Å; A284-C286 PolarHBondContact O-N 3.45Å; A284-C286 VanDerWaalsContact O-N 3.12Å; A284-H287 WeakPolarHBondContact O-CB 3.47Å; A284-H287 PolarHBondContact O-N 3.46Å; A284-I290 HydrophobicContact CB-CD1 4.01Å; A284-I290 HydrophobicContact CB-CG2 4.24Å
285A95Very high94.2Very high0 Ų030.5 Ų30.50%016%0.158CC..THydrogen-bonded Turntrans-65.6-9.1176.400000113.3L281 H287 I290 F291 F318 F322 Y340L281-A285 WeakPolarHBondContact O-CB 3.4Å; L281-A285 PolarHBondContact O-N 2.73Å; A285-H287 CarbonylContact O-C 3.6Å; A285-H287 PolarHBondContact O-N 3.18Å; A285-H287 VanDerWaalsContact O-N 3.09Å; A285-I290 HydrophobicContact CB-CG2 4.44Å; A285-F291 HydrophobicContact CB-CB 4.16Å; A285-F291 HydrophobicContact CB-CD2 4.25Å; A285-F291 WeakPolarHBondContact O-CB 3.29Å; A285-F318 HydrophobicContact CB-CZ 3.8Å; A285-F322 HydrophobicContact CB-CD2 4.09Å; A285-F322 WeakPolarHBondContact O-CE2 3.4Å; A285-Y340 WeakPolarHBondContact O-CE1 3.42Å
286C92.4Very high94.4Very high10 Ų1033 Ų337%0.06817%0.17CC..THydrogen-bonded Turntrans-55-24.1163.5-680000111.8Q283 A284 Y340Q283-C286 VanDerWaalsContact O-CB 3.28Å; Q283-C286 WeakPolarHBondContact O-CB 3.26Å; Q283-C286 PolarHBondContact O-N 3.23Å; Q283-C286 PolarHBondContact O-SG 2.88Å; Q283-C286 VanDerWaalsContact O-SG 3.42Å; A284-C286 PolarHBondContact O-N 3.45Å; A284-C286 VanDerWaalsContact O-N 3.12Å; C286-Y340 PolarHBondContact O-OH 2.9Å
287H92.3Very high94.4Very high55 Ų5534.6 Ų34.626%0.25518%0.178SC..SBendtrans-82.4121.6166-166.2-74.8000111.4V240 A284 A285 A289 I290 F291V240-H287 HydrophobicContact CG1-CB 4.34Å; A284-H287 WeakPolarHBondContact O-CB 3.47Å; A284-H287 PolarHBondContact O-N 3.46Å; A285-H287 CarbonylContact O-C 3.6Å; A285-H287 PolarHBondContact O-N 3.18Å; A285-H287 VanDerWaalsContact O-N 3.09Å; H287-A289 VanDerWaalsContact C-N 3.32Å; H287-A289 PolarHBondContact ND1-N 3.09Å; H287-A289 PolarHBondContact O-N 3.31Å; H287-A289 VanDerWaalsContact O-N 3.16Å; H287-I290 HydrophobicContact CB-CD1 4.36Å; H287-I290 HydrophobicContact CB-CG1 4.47Å; H287-I290 PolarHBondContact O-N 2.88Å; H287-F291 PolarHBondContact O-N 3.41Å; H287-F291 VanDerWaalsContact O-N 3.1Å
288P92.4Very high94.6Very high14 Ų1430.9 Ų30.99%0.09116%0.162CC..Hα-helixtrans-57.3-36.7-172.3-27.633.7000115.1I290 F291 R292 F335 Y340P288-I290 VanDerWaalsContact C-N 3.32Å; P288-I290 PolarHBondContact O-N 3.38Å; P288-F291 PolarHBondContact O-N 3.28Å; P288-R292 WeakPolarHBondContact O-CG 3.39Å; P288-R292 PolarHBondContact O-N 2.94Å; P288-F335 VanDerWaalsContact CD-CE2 3.43Å; P288-F335 HydrophobicContact CG-CB 3.75Å; P288-F335 HydrophobicContact CG-CD1 3.81Å; P288-F335 HydrophobicContact CG-CD2 3.58Å; P288-F335 HydrophobicContact CG-CE1 4.29Å; P288-F335 HydrophobicContact CG-CE2 4.08Å; P288-F335 HydrophobicContact CG-CG 3.42Å; P288-F335 VanDerWaalsContact CG-CG 3.42Å; P288-F335 HydrophobicContact CG-CZ 4.4Å; P288-Y340 HydrophobicContact CB-CD1 4.39Å; P288-Y340 HydrophobicContact CB-CE1 4.23Å; P288-Y340 HydrophobicContact CG-CD1 4.48Å; P288-Y340 HydrophobicContact CG-CE1 3.91Å
289A93.5Very high94.6Very high49 Ų4927.5 Ų27.541%0.40514%0.142SC..Hα-helixtrans-62.9-38.6178.200000112.6L244 H287 V293L244-A289 HydrophobicContact CD2-CB 3.77Å; H287-A289 VanDerWaalsContact C-N 3.32Å; H287-A289 PolarHBondContact ND1-N 3.09Å; H287-A289 PolarHBondContact O-N 3.31Å; H287-A289 VanDerWaalsContact O-N 3.16Å; A289-V293 WeakPolarHBondContact O-CG2 3.43Å; A289-V293 PolarHBondContact O-N 2.71Å
290I96.1Very high94.7Very high1 Ų129.2 Ų29.21%0.00515%0.153CC..Hα-helixtrans-70.1-46.6176.1-64.6179000109.4V240 W243 L244 L250 A284 A285 H287 P288 R292 V293 V294V240-I290 HydrophobicContact CB-CD1 4.3Å; V240-I290 HydrophobicContact CG1-CD1 3.95Å; V240-I290 HydrophobicContact CG2-CD1 4.28Å; W243-I290 HydrophobicContact CB-CD1 4.04Å; W243-I290 HydrophobicContact CB-CG1 4.47Å; W243-I290 HydrophobicContact CE3-CD1 4.45Å; W243-I290 HydrophobicContact CE3-CG2 4.49Å; L244-I290 HydrophobicContact CD2-CD1 4.24Å; L244-I290 HydrophobicContact CD2-CG1 3.75Å; L244-I290 HydrophobicContact CG-CD1 4.12Å; L244-I290 HydrophobicContact CG-CG1 4.16Å; L250-I290 HydrophobicContact CD1-CG2 4.08Å; L250-I290 HydrophobicContact CD2-CB 4.46Å; L250-I290 HydrophobicContact CD2-CG1 4.49Å; L250-I290 HydrophobicContact CD2-CG2 4.02Å; A284-I290 HydrophobicContact CB-CD1 4.01Å; A284-I290 HydrophobicContact CB-CG2 4.24Å; A285-I290 HydrophobicContact CB-CG2 4.44Å; H287-I290 HydrophobicContact CB-CD1 4.36Å; H287-I290 HydrophobicContact CB-CG1 4.47Å; H287-I290 PolarHBondContact O-N 2.88Å; P288-I290 VanDerWaalsContact C-N 3.32Å; P288-I290 PolarHBondContact O-N 3.38Å; I290-R292 VanDerWaalsContact C-N 3.28Å; I290-R292 PolarHBondContact O-N 2.92Å; I290-V293 PolarHBondContact O-N 2.81Å; I290-V294 HydrophobicContact CG2-CG2 4.19Å; I290-V294 WeakPolarHBondContact O-CG2 3.37Å; I290-V294 PolarHBondContact O-N 3.01Å
291F95.4Very high94.7Very high0 Ų028.8 Ų28.80%015%0.151CC..Hα-helixtrans-51.6-49176.4180-89.1000111.5A285 H287 P288 V293 V294 D295 F318 F322 Y340 F341A285-F291 HydrophobicContact CB-CB 4.16Å; A285-F291 HydrophobicContact CB-CD2 4.25Å; A285-F291 WeakPolarHBondContact O-CB 3.29Å; H287-F291 PolarHBondContact O-N 3.41Å; H287-F291 VanDerWaalsContact O-N 3.1Å; P288-F291 PolarHBondContact O-N 3.28Å; F291-V293 VanDerWaalsContact C-N 3.31Å; F291-V293 PolarHBondContact O-N 3.2Å; F291-V294 PolarHBondContact O-N 3.01Å; F291-D295 HydrophobicContact CD1-CB 4.25Å; F291-D295 HydrophobicContact CE1-CB 3.97Å; F291-D295 HydrophobicContact CZ-CB 4.47Å; F291-D295 WeakPolarHBondContact O-CB 3.44Å; F291-D295 PolarHBondContact O-N 3.44Å; F291-F318 HydrophobicContact CD2-CE1 4.38Å; F291-F318 HydrophobicContact CE2-CE1 4.18Å; F291-F322 HydrophobicContact CD2-CD1 4.34Å; F291-F322 HydrophobicContact CD2-CD2 4.13Å; F291-F322 HydrophobicContact CD2-CE1 4.12Å; F291-F322 AromaticContact CD2-CE2 3.9Å; F291-F322 HydrophobicContact CD2-CE2 3.9Å; F291-F322 HydrophobicContact CD2-CG 4.34Å; F291-F322 AromaticContact CD2-CZ 3.9Å; F291-F322 HydrophobicContact CD2-CZ 3.9Å; F291-F322 AromaticContact CE2-CD1 3.94Å; F291-F322 HydrophobicContact CE2-CD1 3.94Å; F291-F322 AromaticContact CE2-CE1 3.84Å; F291-F322 HydrophobicContact CE2-CE1 3.84Å; F291-F322 HydrophobicContact CE2-CE2 4.42Å; F291-F322 HydrophobicContact CE2-CG 4.28Å; F291-F322 HydrophobicContact CE2-CZ 4.09Å; F291-Y340 HydrophobicContact CB-CD1 3.74Å; F291-Y340 HydrophobicContact CB-CE1 4.27Å; F291-Y340 AromaticContact CD1-CD1 3.97Å; F291-Y340 HydrophobicContact CD1-CD1 3.97Å; F291-Y340 HydrophobicContact CD1-CG 4.4Å; F291-Y340 HydrophobicContact CD2-CD1 4.05Å; F291-Y340 VanDerWaalsContact CE1-O 3.22Å; F291-Y340 WeakPolarHBondContact CE1-O 3.41Å; F291-Y340 AromaticContact CG-CD1 3.64Å; F291-Y340 HydrophobicContact CG-CD1 3.64Å; F291-Y340 HydrophobicContact CG-CG 4.45Å; F291-F341 HydrophobicContact CE1-CD1 4.35Å; F291-F341 HydrophobicContact CE1-CE1 4.01Å; F291-F341 HydrophobicContact CE1-CZ 4.2Å; F291-F341 HydrophobicContact CE2-CZ 4.34Å; F291-F341 HydrophobicContact CZ-CD1 4.38Å; F291-F341 AromaticContact CZ-CE1 3.61Å; F291-F341 HydrophobicContact CZ-CE1 3.61Å; F291-F341 HydrophobicContact CZ-CE2 4.21Å; F291-F341 AromaticContact CZ-CZ 3.51Å; F291-F341 HydrophobicContact CZ-CZ 3.51Å
292R93.8Very high94.5Very high124 Ų12428.9 Ų28.947%0.46815%0.152SC..Hα-helixtrans-62.8-35.6-176.9-72-172.373.3-169.82.8113.4P288 I290 E296P288-R292 WeakPolarHBondContact O-CG 3.39Å; P288-R292 PolarHBondContact O-N 2.94Å; I290-R292 VanDerWaalsContact C-N 3.28Å; I290-R292 PolarHBondContact O-N 2.92Å; R292-E296 WeakPolarHBondContact O-CB 3.47Å; R292-E296 PolarHBondContact O-N 2.93Å
293V96.3Very high94.3Very high40 Ų4032.5 Ų32.524%0.24217%0.171CC..Hα-helixtrans-70.7-45.2175.1174.70000110.5L247 L250 A289 I290 F291 D295 E296 M297L247-V293 HydrophobicContact CD1-CB 4.48Å; L247-V293 HydrophobicContact CD1-CG1 3.65Å; L247-V293 HydrophobicContact CD1-CG2 4.01Å; L250-V293 HydrophobicContact CD2-CB 3.71Å; L250-V293 HydrophobicContact CD2-CG1 3.65Å; L250-V293 HydrophobicContact CD2-CG2 4.31Å; L250-V293 HydrophobicContact CG-CG1 4.12Å; A289-V293 WeakPolarHBondContact O-CG2 3.43Å; A289-V293 PolarHBondContact O-N 2.71Å; I290-V293 PolarHBondContact O-N 2.81Å; F291-V293 VanDerWaalsContact C-N 3.31Å; F291-V293 PolarHBondContact O-N 3.2Å; V293-D295 VanDerWaalsContact C-N 3.32Å; V293-D295 PolarHBondContact O-N 2.62Å; V293-E296 PolarHBondContact O-N 2.92Å; V293-M297 HydrophobicContact CG1-SD 4.5Å; V293-M297 WeakPolarHBondContact O-CG 3.32Å; V293-M297 PolarHBondContact O-N 3.33Å
294V97.1Very high94.2Very high0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-59.6-45.3176.7169.80000111L250 M254 L281 I290 F291 M297 F298 F318L250-V294 HydrophobicContact CD1-CG2 4.12Å; M254-V294 HydrophobicContact CE-CG1 3.97Å; M254-V294 HydrophobicContact CG-CG2 4.24Å; M254-V294 HydrophobicContact SD-CB 4.23Å; M254-V294 HydrophobicContact SD-CG1 3.72Å; M254-V294 HydrophobicContact SD-CG2 3.92Å; L281-V294 HydrophobicContact CD2-CG2 4.02Å; I290-V294 HydrophobicContact CG2-CG2 4.19Å; I290-V294 WeakPolarHBondContact O-CG2 3.37Å; I290-V294 PolarHBondContact O-N 3.01Å; F291-V294 PolarHBondContact O-N 3.01Å; V294-M297 PolarHBondContact O-N 3.04Å; V294-F298 HydrophobicContact CG1-CD2 3.82Å; V294-F298 HydrophobicContact CG1-CE2 3.5Å; V294-F298 VanDerWaalsContact CG1-CE2 3.5Å; V294-F298 VanDerWaalsContact O-CD2 3.25Å; V294-F298 WeakPolarHBondContact O-CD2 3.38Å; V294-F298 PolarHBondContact O-N 2.88Å; V294-F318 HydrophobicContact CB-CZ 4.38Å; V294-F318 HydrophobicContact CG1-CE1 3.87Å; V294-F318 HydrophobicContact CG1-CE2 3.83Å; V294-F318 HydrophobicContact CG1-CZ 3.46Å; V294-F318 VanDerWaalsContact CG1-CZ 3.46Å
295D95.3Very high94Very high12 Ų1240.2 Ų40.26%0.06421%0.211CC..Hα-helixtrans-59.5-44.4175.5-170.974.9000112F291 V293 F298 R299 F395 H399F291-D295 HydrophobicContact CD1-CB 4.25Å; F291-D295 HydrophobicContact CE1-CB 3.97Å; F291-D295 HydrophobicContact CZ-CB 4.47Å; F291-D295 WeakPolarHBondContact O-CB 3.44Å; F291-D295 PolarHBondContact O-N 3.44Å; V293-D295 VanDerWaalsContact C-N 3.32Å; V293-D295 PolarHBondContact O-N 2.62Å; D295-F298 PolarHBondContact O-N 3.27Å; D295-R299 WeakPolarHBondContact O-CB 3.44Å; D295-R299 PolarHBondContact O-N 3.07Å; D295-R299 IonicContact OD2-CZ 3.89Å; D295-R299 IonicContact OD2-NH1 3.23Å; D295-R299 PolarHBondContact OD2-NH1 3.03Å; D295-R299 IonicContact OD2-NH2 2.63Å; D295-R299 PolarHBondContact OD2-NH2 2.91Å; D295-F395 WeakPolarHBondContact OD1-CE1 3.47Å; D295-F395 WeakPolarHBondContact OD2-CE1 3.4Å; D295-H399 IonicContact OD1-CE1 2.67Å; D295-H399 PolarHBondContact OD1-CE1 2.9Å; D295-H399 IonicContact OD1-NE2 3.32Å; D295-H399 PolarHBondContact OD1-NE2 3.33Å
296E95.6Very high93.5Very high92 Ų9245.8 Ų45.843%0.4324%0.241SC..Hα-helixtrans-63.2-40.9174.4-170.863.1-151.400112.5R292 V293 F298 R299 C300R292-E296 WeakPolarHBondContact O-CB 3.47Å; R292-E296 PolarHBondContact O-N 2.93Å; V293-E296 PolarHBondContact O-N 2.92Å; E296-F298 VanDerWaalsContact C-N 3.32Å; E296-F298 PolarHBondContact O-N 3.09Å; E296-R299 VanDerWaalsContact CA-NH1 3.33Å; E296-R299 WeakPolarHBondContact O-CB 3.24Å; E296-R299 PolarHBondContact O-N 3.47Å; E296-R299 IonicContact OE2-CZ 2.97Å; E296-R299 IonicContact OE2-NE 3.49Å; E296-R299 IonicContact OE2-NH1 3.95Å; E296-R299 PolarHBondContact OE2-NH1 3.14Å; E296-C300 PolarHBondContact O-N 3.44Å; E296-C300 PolarHBondContact O-SG 3.06Å
297M96.5Very high93.1Very high32 Ų3246.4 Ų46.416%0.15825%0.249CC..Hα-helixtrans-66.8-35.6176.8-69.8-171.476.600112.2E251 M254 L255 V293 V294 A301E251-M297 HydrophobicContact CB-CE 4.22Å; E251-M297 HydrophobicContact CB-SD 4.23Å; E251-M297 HydrophobicContact CG-CE 4.48Å; E251-M297 HydrophobicContact CG-SD 4.05Å; M254-M297 HydrophobicContact CB-CE 3.47Å; M254-M297 VanDerWaalsContact CB-CE 3.47Å; M254-M297 HydrophobicContact CB-SD 3.41Å; M254-M297 WeakPolarHBondContact CB-SD 3.24Å; M254-M297 HydrophobicContact CE-CB 3.98Å; M254-M297 HydrophobicContact CG-CE 4.29Å; M254-M297 HydrophobicContact CG-SD 3.55Å; M254-M297 VanDerWaalsContact CG-SD 3.55Å; L255-M297 HydrophobicContact CD2-CE 4.46Å; L255-M297 HydrophobicContact CG-CE 4.29Å; V293-M297 HydrophobicContact CG1-SD 4.5Å; V293-M297 WeakPolarHBondContact O-CG 3.32Å; V293-M297 PolarHBondContact O-N 3.33Å; V294-M297 PolarHBondContact O-N 3.04Å; M297-A301 WeakPolarHBondContact O-CB 3.11Å; M297-A301 PolarHBondContact O-N 2.98Å
298F96Very high92.8Very high0 Ų045.1 Ų45.10%025%0.248CC..Hα-helixtrans-65.1-43170-78.3-53.2000112.2M254 F258 V294 D295 E296 C300 A301 L302 T314 I315 F318M254-F298 HydrophobicContact CE-CD1 4.32Å; M254-F298 HydrophobicContact CE-CD2 4.24Å; M254-F298 HydrophobicContact CE-CE1 4.05Å; M254-F298 HydrophobicContact CE-CE2 3.98Å; M254-F298 HydrophobicContact CE-CG 4.4Å; M254-F298 HydrophobicContact CE-CZ 3.88Å; F258-F298 AromaticContact CE1-CD1 3.95Å; F258-F298 HydrophobicContact CE1-CD1 3.95Å; F258-F298 AromaticContact CE1-CE1 3.79Å; F258-F298 HydrophobicContact CE1-CE1 3.79Å; F258-F298 AromaticContact CZ-CD1 3.89Å; F258-F298 HydrophobicContact CZ-CD1 3.89Å; F258-F298 HydrophobicContact CZ-CE1 4.04Å; V294-F298 HydrophobicContact CG1-CD2 3.82Å; V294-F298 HydrophobicContact CG1-CE2 3.5Å; V294-F298 VanDerWaalsContact CG1-CE2 3.5Å; V294-F298 VanDerWaalsContact O-CD2 3.25Å; V294-F298 WeakPolarHBondContact O-CD2 3.38Å; V294-F298 PolarHBondContact O-N 2.88Å; D295-F298 PolarHBondContact O-N 3.27Å; E296-F298 VanDerWaalsContact C-N 3.32Å; E296-F298 PolarHBondContact O-N 3.09Å; F298-C300 VanDerWaalsContact C-N 3.34Å; F298-C300 PolarHBondContact O-N 2.62Å; F298-A301 PolarHBondContact O-N 3.22Å; F298-L302 VanDerWaalsContact O-CB 3.26Å; F298-L302 WeakPolarHBondContact O-CB 3.5Å; F298-L302 PolarHBondContact O-N 3Å; F298-T314 HydrophobicContact CE1-CG2 3.7Å; F298-T314 HydrophobicContact CZ-CG2 4.14Å; F298-I315 HydrophobicContact CB-CD1 3.97Å; F298-I315 HydrophobicContact CB-CG1 3.78Å; F298-I315 HydrophobicContact CD1-CD1 4.43Å; F298-I315 HydrophobicContact CD1-CG1 3.62Å; F298-I315 HydrophobicContact CD2-CG1 4.33Å; F298-I315 HydrophobicContact CE1-CG1 4.27Å; F298-I315 HydrophobicContact CG-CD1 4.39Å; F298-I315 HydrophobicContact CG-CG1 3.67Å; F298-F318 HydrophobicContact CD2-CD1 4.45Å; F298-F318 HydrophobicContact CE2-CB 4.02Å; F298-F318 AromaticContact CE2-CD1 3.71Å; F298-F318 HydrophobicContact CE2-CD1 3.71Å; F298-F318 HydrophobicContact CE2-CD2 4.07Å; F298-F318 HydrophobicContact CE2-CE1 4.2Å; F298-F318 AromaticContact CE2-CG 3.64Å; F298-F318 HydrophobicContact CE2-CG 3.64Å; F298-F318 HydrophobicContact CZ-CB 4Å; F298-F318 HydrophobicContact CZ-CD2 4.34Å; F298-F318 HydrophobicContact CZ-CG 4.03Å
299R93.6Very high92.5Very high23 Ų2349.8 Ų49.89%0.08727%0.271CS..Hα-helixtrans-55.9-48.4173.9-178.6-173-73.186.813.1110.9D295 E296 L302 L303 F391 E392 F395D295-R299 WeakPolarHBondContact O-CB 3.44Å; D295-R299 PolarHBondContact O-N 3.07Å; D295-R299 IonicContact OD2-CZ 3.89Å; D295-R299 IonicContact OD2-NH1 3.23Å; D295-R299 PolarHBondContact OD2-NH1 3.03Å; D295-R299 IonicContact OD2-NH2 2.63Å; D295-R299 PolarHBondContact OD2-NH2 2.91Å; E296-R299 VanDerWaalsContact CA-NH1 3.33Å; E296-R299 WeakPolarHBondContact O-CB 3.24Å; E296-R299 PolarHBondContact O-N 3.47Å; E296-R299 IonicContact OE2-CZ 2.97Å; E296-R299 IonicContact OE2-NE 3.49Å; E296-R299 IonicContact OE2-NH1 3.95Å; E296-R299 PolarHBondContact OE2-NH1 3.14Å; R299-L302 PolarHBondContact O-N 3.43Å; R299-L303 HydrophobicContact CG-CD1 4.31Å; R299-L303 WeakPolarHBondContact O-CG 3.38Å; R299-L303 PolarHBondContact O-N 2.97Å; R299-F391 HydrophobicContact CG-CE1 3.85Å; R299-F391 HydrophobicContact CG-CZ 3.96Å; R299-E392 IonicContact NH2-OE2 3Å; R299-F395 HydrophobicContact CB-CE1 4.44Å; R299-F395 HydrophobicContact CB-CE2 4.06Å; R299-F395 HydrophobicContact CB-CZ 3.89Å; R299-F395 VanDerWaalsContact NH2-CE1 3.29Å
300C94.4Very high92.2Very high61 Ų6152.5 Ų52.541%0.41228%0.276SS..Hα-helixtrans-59.5-51.1175.2-69.80000111.8E296 F298 L302 L303 E304E296-C300 PolarHBondContact O-N 3.44Å; E296-C300 PolarHBondContact O-SG 3.06Å; F298-C300 VanDerWaalsContact C-N 3.34Å; F298-C300 PolarHBondContact O-N 2.62Å; C300-L302 VanDerWaalsContact C-N 3.26Å; C300-L302 PolarHBondContact O-N 3.25Å; C300-L303 PolarHBondContact O-N 3.45Å; C300-E304 WeakPolarHBondContact O-CB 3.48Å; C300-E304 VanDerWaalsContact O-CG 3.31Å; C300-E304 WeakPolarHBondContact O-CG 3.1Å; C300-E304 PolarHBondContact O-N 2.91Å
301A93.5Very high92Very high18 Ų1853.6 Ų53.615%0.14928%0.281CS..Hα-helixtrans-59.3-38.4179.600000112.4F258 M297 F298 T305 I311F258-A301 HydrophobicContact CE1-CB 4.24Å; F258-A301 HydrophobicContact CE2-CB 4.29Å; F258-A301 HydrophobicContact CZ-CB 3.8Å; M297-A301 WeakPolarHBondContact O-CB 3.11Å; M297-A301 PolarHBondContact O-N 2.98Å; F298-A301 PolarHBondContact O-N 3.22Å; A301-T305 WeakPolarHBondContact O-CB 3.28Å; A301-T305 VanDerWaalsContact O-CG2 3.24Å; A301-T305 WeakPolarHBondContact O-CG2 3.32Å; A301-T305 PolarHBondContact O-N 3.22Å; A301-T305 VanDerWaalsContact O-N 3.07Å; A301-T305 PolarHBondContact O-OG1 2.65Å; A301-I311 HydrophobicContact CB-CD1 4.48Å; A301-I311 HydrophobicContact CB-CG2 4.22Å
302L92.1Very high91.8Very high3 Ų354 Ų542%0.01628%0.284CS..Hα-helixtrans-67.9-40.6178.8-171.769.5000112.2F298 R299 C300 T305 D306 G307 I311 I312 I315 W394 F395 I398F298-L302 VanDerWaalsContact O-CB 3.26Å; F298-L302 WeakPolarHBondContact O-CB 3.5Å; F298-L302 PolarHBondContact O-N 3Å; R299-L302 PolarHBondContact O-N 3.43Å; C300-L302 VanDerWaalsContact C-N 3.26Å; C300-L302 PolarHBondContact O-N 3.25Å; L302-T305 PolarHBondContact O-OG1 2.92Å; L302-D306 PolarHBondContact O-N 3.24Å; L302-G307 PolarHBondContact O-N 3.3Å; L302-I311 HydrophobicContact CB-CG2 4.19Å; L302-I311 HydrophobicContact CD1-CB 4.44Å; L302-I311 HydrophobicContact CD1-CG2 4.09Å; L302-I312 HydrophobicContact CD1-CD1 4.34Å; L302-I312 HydrophobicContact CD1-CG1 3.64Å; L302-I315 HydrophobicContact CD1-CD1 4.49Å; L302-I315 HydrophobicContact CD2-CD1 4.35Å; L302-W394 HydrophobicContact CD1-CH2 4.13Å; L302-W394 HydrophobicContact CD2-CE3 4.43Å; L302-W394 HydrophobicContact CD2-CH2 3.48Å; L302-W394 VanDerWaalsContact CD2-CH2 3.48Å; L302-W394 HydrophobicContact CD2-CZ3 3.36Å; L302-W394 HydrophobicContact CG-CH2 3.91Å; L302-W394 HydrophobicContact CG-CZ3 4.13Å; L302-F395 HydrophobicContact CD2-CD2 3.71Å; L302-F395 HydrophobicContact CD2-CE2 3.95Å; L302-I398 HydrophobicContact CD1-CD1 4.48Å; L302-I398 HydrophobicContact CD2-CD1 3.5Å; L302-I398 VanDerWaalsContact CD2-CD1 3.5Å
303L91.2Very high91.6Very high76 Ų7648.9 Ų48.940%0.39827%0.268SS..Hα-helixtrans-69.2-43.2176.8-71.2173000111.9R299 C300 T305 D306 F391R299-L303 HydrophobicContact CG-CD1 4.31Å; R299-L303 WeakPolarHBondContact O-CG 3.38Å; R299-L303 PolarHBondContact O-N 2.97Å; C300-L303 PolarHBondContact O-N 3.45Å; L303-T305 VanDerWaalsContact C-N 3.26Å; L303-T305 PolarHBondContact O-N 2.98Å; L303-D306 PolarHBondContact O-N 3.4Å; L303-F391 HydrophobicContact CD1-CZ 4.3Å; L303-F391 HydrophobicContact CD2-CD2 4.41Å; L303-F391 HydrophobicContact CD2-CE2 3.61Å; L303-F391 HydrophobicContact CD2-CZ 3.87Å; L303-F391 HydrophobicContact CG-CE2 4.29Å; L303-F391 HydrophobicContact CG-CZ 4.07Å
304E91.5Very high91.5Very high170 Ų17047.2 Ų47.279%0.79426%0.257SS*.Hα-helixtrans-66.7-27178.4-70-63.1144.100112.7C300C300-E304 WeakPolarHBondContact O-CB 3.48Å; C300-E304 VanDerWaalsContact O-CG 3.31Å; C300-E304 WeakPolarHBondContact O-CG 3.1Å; C300-E304 PolarHBondContact O-N 2.91Å
305T89.3Confident91.4Very high64 Ų6447.2 Ų47.239%0.39326%0.257SS..THydrogen-bonded Turntrans-97.57.1178.359.70000113.9A301 L302 L303 G307 A308 I311A301-T305 WeakPolarHBondContact O-CB 3.28Å; A301-T305 VanDerWaalsContact O-CG2 3.24Å; A301-T305 WeakPolarHBondContact O-CG2 3.32Å; A301-T305 PolarHBondContact O-N 3.22Å; A301-T305 VanDerWaalsContact O-N 3.07Å; A301-T305 PolarHBondContact O-OG1 2.65Å; L302-T305 PolarHBondContact O-OG1 2.92Å; L303-T305 VanDerWaalsContact C-N 3.26Å; L303-T305 PolarHBondContact O-N 2.98Å; T305-G307 PolarHBondContact O-N 2.97Å; T305-G307 VanDerWaalsContact O-N 3.17Å; T305-A308 HydrophobicContact CG2-CB 4.43Å; T305-A308 PolarHBondContact O-N 2.69Å; T305-I311 HydrophobicContact CG2-CG1 4.2Å
306D85.1Confident91.3Very high118 Ų11848.1 Ų48.163%0.63126%0.261SS*.THydrogen-bonded Turntrans46.740.1-174.3-15739.1000113.2L302 L303 R433L302-D306 PolarHBondContact O-N 3.24Å; L303-D306 PolarHBondContact O-N 3.4Å; D306-R433 IonicContact OD1-CZ 3.67Å; D306-R433 IonicContact OD1-NH1 2.9Å; D306-R433 PolarHBondContact OD1-NH1 2.95Å; D306-R433 IonicContact OD1-NH2 3.76Å
307G83.3Confident91.2Very high22 Ų2244.2 Ų44.223%0.22724%0.244CC..SBendtrans85.232.9175.900000115.6L302 T305 L309L302-G307 PolarHBondContact O-N 3.3Å; T305-G307 PolarHBondContact O-N 2.97Å; T305-G307 VanDerWaalsContact O-N 3.17Å; G307-L309 PolarHBondContact O-N 2.98Å
308A87.5Confident91.2Very high29 Ų2942.8 Ų42.824%0.2424%0.237CC..  trans-53134.4177.800000112.7T305 E310 I311 I312T305-A308 HydrophobicContact CG2-CB 4.43Å; T305-A308 PolarHBondContact O-N 2.69Å; A308-E310 PolarHBondContact O-N 3.24Å; A308-I311 HydrophobicContact CB-CG1 4.23Å; A308-I311 PolarHBondContact O-N 3.36Å; A308-I311 VanDerWaalsContact O-N 3.08Å; A308-I312 PolarHBondContact O-N 3.23Å; A308-I312 VanDerWaalsContact O-N 3.15Å
309L85.6Confident91.1Very high111 Ų11142.9 Ų42.958%0.58124%0.237SC*.Hα-helixtrans-63.1-31.4-174.9-66.4177.7000112.3G307 I311 I312 A313G307-L309 PolarHBondContact O-N 2.98Å; L309-I311 VanDerWaalsContact C-N 3.32Å; L309-I311 PolarHBondContact O-N 3.42Å; L309-I312 HydrophobicContact CD2-CD1 4.44Å; L309-I312 PolarHBondContact O-N 3.39Å; L309-A313 WeakPolarHBondContact O-CB 3.43Å; L309-A313 PolarHBondContact O-N 3.26Å
310E87.3Confident91Very high106 Ų10647.1 Ų47.150%0.49526%0.258SS..Hα-helixtrans-64.2-37.7176.4-6579.5-178.400111.8A308 T314A308-E310 PolarHBondContact O-N 3.24Å; E310-T314 WeakPolarHBondContact O-CB 3.2Å; E310-T314 PolarHBondContact O-N 2.89Å; E310-T314 PolarHBondContact O-OG1 2.97Å
311I90.9Very high90.9Very high24 Ų2444.5 Ų44.512%0.12324%0.241CC..Hα-helixtrans-70.9-44176.2-58.8-58.2000109.8A301 L302 T305 A308 L309 A313 T314 I315A301-I311 HydrophobicContact CB-CD1 4.48Å; A301-I311 HydrophobicContact CB-CG2 4.22Å; L302-I311 HydrophobicContact CB-CG2 4.19Å; L302-I311 HydrophobicContact CD1-CB 4.44Å; L302-I311 HydrophobicContact CD1-CG2 4.09Å; T305-I311 HydrophobicContact CG2-CG1 4.2Å; A308-I311 HydrophobicContact CB-CG1 4.23Å; A308-I311 PolarHBondContact O-N 3.36Å; A308-I311 VanDerWaalsContact O-N 3.08Å; L309-I311 VanDerWaalsContact C-N 3.32Å; L309-I311 PolarHBondContact O-N 3.42Å; I311-A313 PolarHBondContact O-N 3.08Å; I311-T314 WeakPolarHBondContact O-CB 3.47Å; I311-T314 PolarHBondContact O-N 3.26Å; I311-T314 VanDerWaalsContact O-N 3.14Å; I311-I315 HydrophobicContact CG2-CD1 4.02Å; I311-I315 WeakPolarHBondContact O-CG1 3.32Å; I311-I315 PolarHBondContact O-N 3.31Å
312I91.4Very high90.9Very high10 Ų1043.8 Ų43.85%0.05123%0.234CC..Hα-helixtrans-57.9-47.5175.1-66.2174.8000111L302 A308 L309 T314 I315 Q316 W394 I398 Y429L302-I312 HydrophobicContact CD1-CD1 4.34Å; L302-I312 HydrophobicContact CD1-CG1 3.64Å; A308-I312 PolarHBondContact O-N 3.23Å; A308-I312 VanDerWaalsContact O-N 3.15Å; L309-I312 HydrophobicContact CD2-CD1 4.44Å; L309-I312 PolarHBondContact O-N 3.39Å; I312-T314 VanDerWaalsContact C-N 3.3Å; I312-T314 PolarHBondContact O-N 2.84Å; I312-I315 PolarHBondContact O-N 3.09Å; I312-Q316 WeakPolarHBondContact O-CG 3.39Å; I312-Q316 PolarHBondContact O-N 3.08Å; I312-W394 HydrophobicContact CD1-CZ2 4.31Å; I312-I398 HydrophobicContact CG1-CD1 4.44Å; I312-I398 HydrophobicContact CG2-CB 4.39Å; I312-Y429 WeakPolarHBondContact CG2-OH 3.26Å
313A91Very high90.8Very high16 Ų1645.4 Ų45.413%0.13224%0.244CC..Hα-helixtrans-61.2-39.2176.600000111.9L269 I272 L309 I311 Q316 V317L269-A313 HydrophobicContact CD2-CB 4.15Å; I272-A313 HydrophobicContact CD1-CB 4.28Å; L309-A313 WeakPolarHBondContact O-CB 3.43Å; L309-A313 PolarHBondContact O-N 3.26Å; I311-A313 PolarHBondContact O-N 3.08Å; A313-Q316 PolarHBondContact O-N 3.11Å; A313-V317 VanDerWaalsContact O-CG2 3.27Å; A313-V317 WeakPolarHBondContact O-CG2 3.41Å; A313-V317 PolarHBondContact O-N 2.9Å
314T93.4Very high90.7Very high4 Ų444.3 Ų44.33%0.02524%0.237CC..Hα-helixtrans-63.7-44.1176-57.90000111.6L261 I272 I276 F298 E310 I311 I312 Q316 V317 F318L261-T314 HydrophobicContact CD1-CG2 3.43Å; L261-T314 VanDerWaalsContact CD1-CG2 3.43Å; I272-T314 HydrophobicContact CG2-CG2 4.46Å; I276-T314 HydrophobicContact CD1-CG2 4.02Å; I276-T314 WeakPolarHBondContact CD1-O 3.47Å; F298-T314 HydrophobicContact CE1-CG2 3.7Å; F298-T314 HydrophobicContact CZ-CG2 4.14Å; E310-T314 WeakPolarHBondContact O-CB 3.2Å; E310-T314 PolarHBondContact O-N 2.89Å; E310-T314 PolarHBondContact O-OG1 2.97Å; I311-T314 WeakPolarHBondContact O-CB 3.47Å; I311-T314 PolarHBondContact O-N 3.26Å; I311-T314 VanDerWaalsContact O-N 3.14Å; I312-T314 VanDerWaalsContact C-N 3.3Å; I312-T314 PolarHBondContact O-N 2.84Å; T314-Q316 VanDerWaalsContact C-N 3.32Å; T314-Q316 PolarHBondContact O-N 2.98Å; T314-V317 PolarHBondContact O-N 3.47Å; T314-F318 VanDerWaalsContact O-CB 3.24Å; T314-F318 WeakPolarHBondContact O-CB 3.47Å; T314-F318 PolarHBondContact O-N 3.07Å
315I95.1Very high90.7Very high0 Ų036.9 Ų36.90%021%0.205CC..Hα-helixtrans-59.6-43.8176.2-68.9166.3000110.7F298 L302 I311 I312 F318 T319 F395 I398F298-I315 HydrophobicContact CB-CD1 3.97Å; F298-I315 HydrophobicContact CB-CG1 3.78Å; F298-I315 HydrophobicContact CD1-CD1 4.43Å; F298-I315 HydrophobicContact CD1-CG1 3.62Å; F298-I315 HydrophobicContact CD2-CG1 4.33Å; F298-I315 HydrophobicContact CE1-CG1 4.27Å; F298-I315 HydrophobicContact CG-CD1 4.39Å; F298-I315 HydrophobicContact CG-CG1 3.67Å; L302-I315 HydrophobicContact CD1-CD1 4.49Å; L302-I315 HydrophobicContact CD2-CD1 4.35Å; I311-I315 HydrophobicContact CG2-CD1 4.02Å; I311-I315 WeakPolarHBondContact O-CG1 3.32Å; I311-I315 PolarHBondContact O-N 3.31Å; I312-I315 PolarHBondContact O-N 3.09Å; I315-F318 PolarHBondContact O-N 3.3Å; I315-T319 WeakPolarHBondContact O-CB 3.46Å; I315-T319 PolarHBondContact O-N 3.44Å; I315-T319 PolarHBondContact O-OG1 3.49Å; I315-F395 HydrophobicContact CD1-CE2 4.23Å; I315-I398 HydrophobicContact CD1-CD1 3.78Å; I315-I398 HydrophobicContact CG2-CD1 4.44Å
316Q93.1Very high90.6Very high32 Ų3235 Ų3515%0.1519%0.192CC..Hα-helixtrans-64.3-50.1179.7-74.2167.4-3.500112I312 A313 T314 F318 T319 Q320 I398 G401 Y429I312-Q316 WeakPolarHBondContact O-CG 3.39Å; I312-Q316 PolarHBondContact O-N 3.08Å; A313-Q316 PolarHBondContact O-N 3.11Å; T314-Q316 VanDerWaalsContact C-N 3.32Å; T314-Q316 PolarHBondContact O-N 2.98Å; Q316-F318 VanDerWaalsContact C-N 3.3Å; Q316-F318 PolarHBondContact O-N 3.06Å; Q316-T319 PolarHBondContact O-N 3.27Å; Q316-Q320 PolarHBondContact O-N 2.92Å; Q316-I398 WeakPolarHBondContact CG-O 3.42Å; Q316-I398 PolarHBondContact NE2-O 2.7Å; Q316-G401 VanDerWaalsContact NE2-CA 3.28Å; Q316-Y429 PolarHBondContact NE2-OH 3.26Å
317V93.9Very high90.6Very high10 Ų1035.4 Ų35.46%0.06119%0.19CC..Hα-helixtrans-64.7-37.4178.5178.40000110.9L269 I272 E273 I276 A313 T314 Q320 C321L269-V317 HydrophobicContact CD2-CG2 4.15Å; I272-V317 HydrophobicContact CG2-CB 4.02Å; I272-V317 HydrophobicContact CG2-CG1 4.19Å; I272-V317 HydrophobicContact CG2-CG2 4.14Å; E273-V317 VanDerWaalsContact CA-CG1 3.44Å; E273-V317 HydrophobicContact CB-CG1 3.67Å; E273-V317 HydrophobicContact CG-CG1 3.98Å; I276-V317 HydrophobicContact CD1-CB 3.8Å; I276-V317 HydrophobicContact CD1-CG1 3.71Å; A313-V317 VanDerWaalsContact O-CG2 3.27Å; A313-V317 WeakPolarHBondContact O-CG2 3.41Å; A313-V317 PolarHBondContact O-N 2.9Å; T314-V317 PolarHBondContact O-N 3.47Å; V317-Q320 PolarHBondContact O-N 3.23Å; V317-C321 WeakPolarHBondContact O-CB 3.45Å; V317-C321 PolarHBondContact O-N 3.18Å; V317-C321 PolarHBondContact O-SG 3.23Å
318F96.2Very high90.7Very high1 Ų142.2 Ų42.20%0.00421%0.213CC..Hα-helixtrans-60.7-48.6173.4172.9-94.9000111I276 L281 P282 A285 F291 V294 F298 T314 I315 Q316 Q320 C321 F322I276-F318 HydrophobicContact CD1-CB 4.03Å; I276-F318 HydrophobicContact CG2-CB 4.46Å; I276-F318 HydrophobicContact CG2-CD2 4.3Å; L281-F318 HydrophobicContact CB-CE2 4.01Å; P282-F318 HydrophobicContact CB-CE2 4.45Å; P282-F318 HydrophobicContact CG-CD2 4.1Å; P282-F318 HydrophobicContact CG-CE2 4.11Å; A285-F318 HydrophobicContact CB-CZ 3.8Å; F291-F318 HydrophobicContact CD2-CE1 4.38Å; F291-F318 HydrophobicContact CE2-CE1 4.18Å; V294-F318 HydrophobicContact CB-CZ 4.38Å; V294-F318 HydrophobicContact CG1-CE1 3.87Å; V294-F318 HydrophobicContact CG1-CE2 3.83Å; V294-F318 HydrophobicContact CG1-CZ 3.46Å; V294-F318 VanDerWaalsContact CG1-CZ 3.46Å; F298-F318 HydrophobicContact CD2-CD1 4.45Å; F298-F318 HydrophobicContact CE2-CB 4.02Å; F298-F318 AromaticContact CE2-CD1 3.71Å; F298-F318 HydrophobicContact CE2-CD1 3.71Å; F298-F318 HydrophobicContact CE2-CD2 4.07Å; F298-F318 HydrophobicContact CE2-CE1 4.2Å; F298-F318 AromaticContact CE2-CG 3.64Å; F298-F318 HydrophobicContact CE2-CG 3.64Å; F298-F318 HydrophobicContact CZ-CB 4Å; F298-F318 HydrophobicContact CZ-CD2 4.34Å; F298-F318 HydrophobicContact CZ-CG 4.03Å; T314-F318 VanDerWaalsContact O-CB 3.24Å; T314-F318 WeakPolarHBondContact O-CB 3.47Å; T314-F318 PolarHBondContact O-N 3.07Å; I315-F318 PolarHBondContact O-N 3.3Å; Q316-F318 VanDerWaalsContact C-N 3.3Å; Q316-F318 PolarHBondContact O-N 3.06Å; F318-Q320 VanDerWaalsContact C-N 3.33Å; F318-Q320 PolarHBondContact O-N 3.17Å; F318-C321 PolarHBondContact O-N 3.46Å; F318-F322 HydrophobicContact CE1-CB 4.34Å; F318-F322 VanDerWaalsContact O-CB 3.31Å; F318-F322 WeakPolarHBondContact O-CB 3.17Å; F318-F322 PolarHBondContact O-N 3.36Å
319T93.6Very high90.2Very high3 Ų342 Ų422%0.01821%0.212CC..Hα-helixtrans-60.3-44.7-179.7-56.20000110.9I315 Q316 F322 V323 H399 F400I315-T319 WeakPolarHBondContact O-CB 3.46Å; I315-T319 PolarHBondContact O-N 3.44Å; I315-T319 PolarHBondContact O-OG1 3.49Å; Q316-T319 PolarHBondContact O-N 3.27Å; T319-F322 WeakPolarHBondContact O-CB 3.44Å; T319-F322 PolarHBondContact O-N 2.97Å; T319-V323 HydrophobicContact CG2-CG2 4.44Å; T319-V323 WeakPolarHBondContact O-CG2 3.4Å; T319-V323 PolarHBondContact O-N 3.4Å; T319-H399 WeakPolarHBondContact CB-O 3.31Å; T319-H399 HydrophobicContact CG2-CB 4.03Å; T319-H399 WeakPolarHBondContact CG2-O 2.83Å; T319-H399 PolarHBondContact OG1-ND1 3.41Å; T319-F400 HydrophobicContact CG2-CD1 4.48Å; T319-F400 HydrophobicContact CG2-CE1 4.17Å
320Q91.4Very high89.1Confident112 Ų11239.9 Ų39.952%0.52321%0.206SC..Hα-helixtrans-58.8-50.3175.3-175.4179.15.800111.5Q316 V317 F318 F322 V323 E324Q316-Q320 PolarHBondContact O-N 2.92Å; V317-Q320 PolarHBondContact O-N 3.23Å; F318-Q320 VanDerWaalsContact C-N 3.33Å; F318-Q320 PolarHBondContact O-N 3.17Å; Q320-F322 VanDerWaalsContact C-N 3.26Å; Q320-F322 PolarHBondContact O-N 3.01Å; Q320-V323 PolarHBondContact O-N 2.95Å; Q320-E324 WeakPolarHBondContact O-CG 3.38Å; Q320-E324 PolarHBondContact O-N 3.15Å
321C93.5Very high88Confident6 Ų644.1 Ų44.14%0.04122%0.223CC..Hα-helixtrans-61.7-35.6177.7-670000112.5I276 K277 P282 V317 F318 A325I276-C321 HydrophobicContact CG2-CB 3.94Å; K277-C321 VanDerWaalsContact CE-SG 3.54Å; P282-C321 HydrophobicContact CB-CB 3.8Å; P282-C321 HydrophobicContact CG-CB 3.72Å; V317-C321 WeakPolarHBondContact O-CB 3.45Å; V317-C321 PolarHBondContact O-N 3.18Å; V317-C321 PolarHBondContact O-SG 3.23Å; F318-C321 PolarHBondContact O-N 3.46Å; C321-A325 WeakPolarHBondContact O-CB 3.33Å; C321-A325 PolarHBondContact O-N 3.39Å
322F93.4Very high86.3Confident3 Ų352 Ų521%0.01326%0.259CS..Hα-helixtrans-67.8-45.9177.3159-104.4000111.4P282 A285 F291 F318 T319 Q320 A325 L326 Y340P282-F322 HydrophobicContact CB-CB 4.49Å; A285-F322 HydrophobicContact CB-CD2 4.09Å; A285-F322 WeakPolarHBondContact O-CE2 3.4Å; F291-F322 HydrophobicContact CD2-CD1 4.34Å; F291-F322 HydrophobicContact CD2-CD2 4.13Å; F291-F322 HydrophobicContact CD2-CE1 4.12Å; F291-F322 AromaticContact CD2-CE2 3.9Å; F291-F322 HydrophobicContact CD2-CE2 3.9Å; F291-F322 HydrophobicContact CD2-CG 4.34Å; F291-F322 AromaticContact CD2-CZ 3.9Å; F291-F322 HydrophobicContact CD2-CZ 3.9Å; F291-F322 AromaticContact CE2-CD1 3.94Å; F291-F322 HydrophobicContact CE2-CD1 3.94Å; F291-F322 AromaticContact CE2-CE1 3.84Å; F291-F322 HydrophobicContact CE2-CE1 3.84Å; F291-F322 HydrophobicContact CE2-CE2 4.42Å; F291-F322 HydrophobicContact CE2-CG 4.28Å; F291-F322 HydrophobicContact CE2-CZ 4.09Å; F318-F322 HydrophobicContact CE1-CB 4.34Å; F318-F322 VanDerWaalsContact O-CB 3.31Å; F318-F322 WeakPolarHBondContact O-CB 3.17Å; F318-F322 PolarHBondContact O-N 3.36Å; T319-F322 WeakPolarHBondContact O-CB 3.44Å; T319-F322 PolarHBondContact O-N 2.97Å; Q320-F322 VanDerWaalsContact C-N 3.26Å; Q320-F322 PolarHBondContact O-N 3.01Å; F322-A325 WeakPolarHBondContact O-CB 3.24Å; F322-A325 PolarHBondContact O-N 3.25Å; F322-A325 VanDerWaalsContact O-N 3.15Å; F322-L326 HydrophobicContact CE1-CD2 4.45Å; F322-L326 HydrophobicContact CZ-CD2 4.06Å; F322-L326 WeakPolarHBondContact O-CB 3.46Å; F322-L326 PolarHBondContact O-N 2.98Å; F322-Y340 HydrophobicContact CE2-CD1 4.1Å; F322-Y340 AromaticContact CE2-CE1 3.85Å; F322-Y340 HydrophobicContact CE2-CE1 3.85Å; F322-Y340 AromaticContact CZ-CD1 3.6Å; F322-Y340 HydrophobicContact CZ-CD1 3.6Å; F322-Y340 HydrophobicContact CZ-CD2 4.43Å; F322-Y340 AromaticContact CZ-CE1 3.67Å; F322-Y340 HydrophobicContact CZ-CE1 3.67Å; F322-Y340 HydrophobicContact CZ-CE2 4.47Å; F322-Y340 HydrophobicContact CZ-CG 4Å
323V88.9Confident84.7Confident37 Ų3755.2 Ų55.222%0.22428%0.276CS..Hα-helixtrans-61.5-46176.8173.20000110.2T319 Q320 A325 L326 E327T319-V323 HydrophobicContact CG2-CG2 4.44Å; T319-V323 WeakPolarHBondContact O-CG2 3.4Å; T319-V323 PolarHBondContact O-N 3.4Å; Q320-V323 PolarHBondContact O-N 2.95Å; V323-A325 VanDerWaalsContact C-N 3.28Å; V323-A325 PolarHBondContact O-N 3.02Å; V323-L326 PolarHBondContact O-N 3.46Å; V323-L326 VanDerWaalsContact O-N 3.16Å; V323-E327 WeakPolarHBondContact O-CG 3.49Å; V323-E327 PolarHBondContact O-N 3.41Å
324E89.8Confident83.6Confident53 Ų5361.3 Ų61.325%0.24830%0.296CS..Hα-helixtrans-57.3-39.9173.8-73.6179.4-159.700112.5K277 Q320 K328K277-E324 IonicContact NZ-OE2 2.65Å; Q320-E324 WeakPolarHBondContact O-CG 3.38Å; Q320-E324 PolarHBondContact O-N 3.15Å; E324-K328 WeakPolarHBondContact O-CD 3.42Å; E324-K328 VanDerWaalsContact O-CG 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.45Å; E324-K328 PolarHBondContact O-N 3Å
325A90.8Very high82.8Confident14 Ų1465.1 Ų65.112%0.11631%0.312CS..Hα-helixtrans-69.4-40.9177.700000111.7Q283 C321 F322 V323 E327 K328 A329Q283-A325 HydrophobicContact CG-CB 4.36Å; C321-A325 WeakPolarHBondContact O-CB 3.33Å; C321-A325 PolarHBondContact O-N 3.39Å; F322-A325 WeakPolarHBondContact O-CB 3.24Å; F322-A325 PolarHBondContact O-N 3.25Å; F322-A325 VanDerWaalsContact O-N 3.15Å; V323-A325 VanDerWaalsContact C-N 3.28Å; V323-A325 PolarHBondContact O-N 3.02Å; A325-E327 VanDerWaalsContact C-N 3.32Å; A325-E327 PolarHBondContact O-N 3.37Å; A325-K328 PolarHBondContact O-N 3.45Å; A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 3.43Å
326L87.3Confident82.1Confident23 Ų2367.7 Ų67.712%0.1233%0.334CS..Hα-helixtrans-65.8-35178.5-17365.7000112F322 V323 Y340F322-L326 HydrophobicContact CE1-CD2 4.45Å; F322-L326 HydrophobicContact CZ-CD2 4.06Å; F322-L326 WeakPolarHBondContact O-CB 3.46Å; F322-L326 PolarHBondContact O-N 2.98Å; V323-L326 PolarHBondContact O-N 3.46Å; V323-L326 VanDerWaalsContact O-N 3.16Å; L326-Y340 HydrophobicContact CD2-CE2 4.45Å
327E84.9Confident81.2Confident128 Ų12868.9 Ų68.960%0.59834%0.341SS*.Hα-helixtrans-65.3-44174.2-75.8-177.1170.100112.1V323 A325 A329 R334V323-E327 WeakPolarHBondContact O-CG 3.49Å; V323-E327 PolarHBondContact O-N 3.41Å; A325-E327 VanDerWaalsContact C-N 3.32Å; A325-E327 PolarHBondContact O-N 3.37Å; E327-A329 VanDerWaalsContact C-N 3.34Å; E327-R334 PolarHBondContact O-NH2 2.86Å
328K86.1Confident80.6Confident164 Ų16476 Ų7671%0.71337%0.371SS*.Hα-helixtrans-73.4-23.5178.8-68.3168.9-170.4164.80113.1E324 A325E324-K328 WeakPolarHBondContact O-CD 3.42Å; E324-K328 VanDerWaalsContact O-CG 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.45Å; E324-K328 PolarHBondContact O-N 3Å; A325-K328 PolarHBondContact O-N 3.45Å
329A76.7Confident80.2Confident26 Ų2678.3 Ų78.322%0.21539%0.385CS..SBendtrans-60.3144.5178.800000111.5A325 E327A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 3.43Å; E327-A329 VanDerWaalsContact C-N 3.34Å
330S63.4Low79.9Confident66 Ų6678.2 Ų78.246%0.46238%0.384SS..  trans-58.3147.2-179.970.70000110.9Q332 L333S330-Q332 PolarHBondContact O-N 3.23Å; S330-L333 PolarHBondContact O-N 2.9Å
331K63.7Low79.6Confident195 Ų19573.6 Ų73.685%0.84836%0.362SS*.G310 helixtrans-54.8-19.3-178.9-67.1-176.3-179.9-179.90113.9
332Q55.1Low79Confident188 Ų18876.1 Ų76.188%0.87938%0.379SS*.G310 helixtrans-73.5-22.1179.2-71.6177.8-15.500113.9S330S330-Q332 PolarHBondContact O-N 3.23Å
333L57.3Low78.3Confident79 Ų7981.6 Ų81.641%0.41440%0.4SS..G310 helixtrans-107.115.1-175.3-113.6116.7000113.9S330 F335S330-L333 PolarHBondContact O-N 2.9Å; L333-F335 HydrophobicContact CD2-CE2 4.19Å; L333-F335 WeakPolarHBondContact O-CD2 3.46Å; L333-F335 WeakPolarHBondContact O-CE2 3.44Å; L333-F335 PolarHBondContact O-N 3Å
334R67.3Low77.7Confident143 Ų14381.2 Ų81.254%0.5440%0.398SS..  trans-82.4105.4178.7-74.9-169.5172.7-178.9-0.7110.8E327E327-R334 PolarHBondContact O-NH2 2.86Å
335F77.8Confident77.2Confident85 Ų8581 Ų8137%0.37340%0.402SS..  trans-83.7157171.1-60.9-90.6000111P288 L333 T339 Y340P288-F335 VanDerWaalsContact CD-CE2 3.43Å; P288-F335 HydrophobicContact CG-CB 3.75Å; P288-F335 HydrophobicContact CG-CD1 3.81Å; P288-F335 HydrophobicContact CG-CD2 3.58Å; P288-F335 HydrophobicContact CG-CE1 4.29Å; P288-F335 HydrophobicContact CG-CE2 4.08Å; P288-F335 HydrophobicContact CG-CG 3.42Å; P288-F335 VanDerWaalsContact CG-CG 3.42Å; P288-F335 HydrophobicContact CG-CZ 4.4Å; L333-F335 HydrophobicContact CD2-CE2 4.19Å; L333-F335 WeakPolarHBondContact O-CD2 3.46Å; L333-F335 WeakPolarHBondContact O-CE2 3.44Å; L333-F335 PolarHBondContact O-N 3Å; F335-T339 HydrophobicContact CB-CG2 4.44Å; F335-T339 WeakPolarHBondContact CB-OG1 3.24Å; F335-Y340 HydrophobicContact CB-CE2 3.89Å; F335-Y340 WeakPolarHBondContact CD2-OH 3.27Å
336A80.3Confident76.6Confident54 Ų5485.3 Ų85.345%0.44643%0.429SS..  trans-67.3140.217600000110.1K338 T339A336-K338 HydrophobicContact CB-CG 4Å; A336-K338 PolarHBondContact O-N 3.24Å; A336-T339 WeakPolarHBondContact O-CB 3.47Å; A336-T339 WeakPolarHBondContact O-CG2 3.35Å; A336-T339 PolarHBondContact O-N 3.45Å; A336-T339 PolarHBondContact O-OG1 3.13Å
337L74.6Confident76.5Confident57 Ų5787.6 Ų87.630%0.29845%0.447SS..G310 helixtrans-53.2-34.4-175.2-66.5156.3000114.3T339 Y340 F341 M350 L353L337-T339 PolarHBondContact O-N 3.03Å; L337-T339 VanDerWaalsContact O-N 3.07Å; L337-Y340 PolarHBondContact O-N 3.4Å; L337-F341 PolarHBondContact O-N 3.18Å; L337-F341 VanDerWaalsContact O-N 3.07Å; L337-M350 HydrophobicContact CD1-SD 4.34Å; L337-L353 HydrophobicContact CB-CD1 4.06Å; L337-L353 HydrophobicContact CD1-CD1 3.14Å; L337-L353 HydrophobicContact CD2-CD1 3.31Å; L337-L353 HydrophobicContact CD2-CD2 3.88Å; L337-L353 HydrophobicContact CD2-CG 4.26Å; L337-L353 HydrophobicContact CG-CD1 3.59Å
338K81.1Confident76.5Confident160 Ų16081.6 Ų81.670%0.69642%0.419SS*.G310 helixtrans-57.2-19173.269.8177.3-174.6176.60114.7A336 F341 P342A336-K338 HydrophobicContact CB-CG 4Å; A336-K338 PolarHBondContact O-N 3.24Å; K338-F341 CarbonylContact O-C 3.55Å; K338-P342 VanDerWaalsContact O-CA 3.32Å; K338-P342 WeakPolarHBondContact O-CA 3.35Å
339T86.3Confident76.3Confident49 Ų4974.4 Ų74.430%0.30139%0.39SS..G310 helixtrans-78.1-27.2176.563.20000112.2F335 A336 L337F335-T339 HydrophobicContact CB-CG2 4.44Å; F335-T339 WeakPolarHBondContact CB-OG1 3.24Å; A336-T339 WeakPolarHBondContact O-CB 3.47Å; A336-T339 WeakPolarHBondContact O-CG2 3.35Å; A336-T339 PolarHBondContact O-N 3.45Å; A336-T339 PolarHBondContact O-OG1 3.13Å; L337-T339 PolarHBondContact O-N 3.03Å; L337-T339 VanDerWaalsContact O-N 3.07Å
340Y87.8Confident76.7Confident1 Ų178.7 Ų78.70%0.00441%0.407CS..THydrogen-bonded Turntrans-85.4-43.9175.1-57.2-80.7000110.1A285 C286 P288 F291 F322 L326 F335 L337 P342A285-Y340 WeakPolarHBondContact O-CE1 3.42Å; C286-Y340 PolarHBondContact O-OH 2.9Å; P288-Y340 HydrophobicContact CB-CD1 4.39Å; P288-Y340 HydrophobicContact CB-CE1 4.23Å; P288-Y340 HydrophobicContact CG-CD1 4.48Å; P288-Y340 HydrophobicContact CG-CE1 3.91Å; F291-Y340 HydrophobicContact CB-CD1 3.74Å; F291-Y340 HydrophobicContact CB-CE1 4.27Å; F291-Y340 AromaticContact CD1-CD1 3.97Å; F291-Y340 HydrophobicContact CD1-CD1 3.97Å; F291-Y340 HydrophobicContact CD1-CG 4.4Å; F291-Y340 HydrophobicContact CD2-CD1 4.05Å; F291-Y340 VanDerWaalsContact CE1-O 3.22Å; F291-Y340 WeakPolarHBondContact CE1-O 3.41Å; F291-Y340 AromaticContact CG-CD1 3.64Å; F291-Y340 HydrophobicContact CG-CD1 3.64Å; F291-Y340 HydrophobicContact CG-CG 4.45Å; F322-Y340 HydrophobicContact CE2-CD1 4.1Å; F322-Y340 AromaticContact CE2-CE1 3.85Å; F322-Y340 HydrophobicContact CE2-CE1 3.85Å; F322-Y340 AromaticContact CZ-CD1 3.6Å; F322-Y340 HydrophobicContact CZ-CD1 3.6Å; F322-Y340 HydrophobicContact CZ-CD2 4.43Å; F322-Y340 AromaticContact CZ-CE1 3.67Å; F322-Y340 HydrophobicContact CZ-CE1 3.67Å; F322-Y340 HydrophobicContact CZ-CE2 4.47Å; F322-Y340 HydrophobicContact CZ-CG 4Å; L326-Y340 HydrophobicContact CD2-CE2 4.45Å; F335-Y340 HydrophobicContact CB-CE2 3.89Å; F335-Y340 WeakPolarHBondContact CD2-OH 3.27Å; L337-Y340 PolarHBondContact O-N 3.4Å; Y340-P342 VanDerWaalsContact O-CD 3.25Å; Y340-P342 WeakPolarHBondContact O-CD 3.37Å
341F86.4Confident77.9Confident14 Ų1476.3 Ų76.36%0.06139%0.39CS..  trans-118.281.3-179.6-55.3-77.9000111.6F291 L337 K338 Y343 T344 L396 F400F291-F341 HydrophobicContact CE1-CD1 4.35Å; F291-F341 HydrophobicContact CE1-CE1 4.01Å; F291-F341 HydrophobicContact CE1-CZ 4.2Å; F291-F341 HydrophobicContact CE2-CZ 4.34Å; F291-F341 HydrophobicContact CZ-CD1 4.38Å; F291-F341 AromaticContact CZ-CE1 3.61Å; F291-F341 HydrophobicContact CZ-CE1 3.61Å; F291-F341 HydrophobicContact CZ-CE2 4.21Å; F291-F341 AromaticContact CZ-CZ 3.51Å; F291-F341 HydrophobicContact CZ-CZ 3.51Å; L337-F341 PolarHBondContact O-N 3.18Å; L337-F341 VanDerWaalsContact O-N 3.07Å; K338-F341 CarbonylContact O-C 3.55Å; F341-Y343 PolarHBondContact O-N 3.42Å; F341-T344 WeakPolarHBondContact CB-OG1 3.4Å; F341-L396 HydrophobicContact CB-CD1 4.21Å; F341-L396 HydrophobicContact CD1-CD1 3.61Å; F341-L396 HydrophobicContact CE1-CD1 4.05Å; F341-L396 HydrophobicContact CG-CD1 3.87Å; F341-F400 HydrophobicContact CE2-CZ 4.12Å; F341-F400 HydrophobicContact CZ-CE2 4.32Å; F341-F400 HydrophobicContact CZ-CZ 4.15Å
342P80.9Confident79.1Confident60 Ų6067 Ų6739%0.3935%0.35SS..THydrogen-bonded Turntrans-73.8-21.7-172.427.9-35.1000114.6K338 Y340 T344K338-P342 VanDerWaalsContact O-CA 3.32Å; K338-P342 WeakPolarHBondContact O-CA 3.35Å; Y340-P342 VanDerWaalsContact O-CD 3.25Å; Y340-P342 WeakPolarHBondContact O-CD 3.37Å; P342-T344 VanDerWaalsContact C-N 3.34Å
343Y77.6Confident80.4Confident117 Ų11760.1 Ų60.146%0.45932%0.318SS..THydrogen-bonded Turntrans-92.76.2-177.7-56.1-66.9000113.3F341 C387F341-Y343 PolarHBondContact O-N 3.42Å; Y343-C387 WeakPolarHBondContact CA-O 3.25Å; Y343-C387 WeakPolarHBondContact CB-O 3.43Å
344T75.9Confident81.7Confident29 Ų2961 Ų6118%0.17832%0.32CS..SBendtrans-98.6137.9-172.2-57.10000111.9F341 P342 L348 A349 L396F341-T344 WeakPolarHBondContact CB-OG1 3.4Å; P342-T344 VanDerWaalsContact C-N 3.34Å; T344-L348 HydrophobicContact CG2-CB 4.35Å; T344-A349 HydrophobicContact CG2-CB 3.65Å; T344-L396 HydrophobicContact CG2-CD1 4.21Å; T344-L396 HydrophobicContact CG2-CD2 3.21Å; T344-L396 HydrophobicContact CG2-CG 4.31Å; T344-L396 WeakPolarHBondContact OG1-CD1 3.47Å; T344-L396 WeakPolarHBondContact OG1-CD2 3.41Å
345S79.1Confident82.4Confident48 Ų4858 Ų5834%0.33632%0.315SS..  trans-63.7133.6169.979.70000109.9S347 L348 A349S345-S347 PolarHBondContact O-N 3.27Å; S345-S347 VanDerWaalsContact O-N 3.13Å; S345-L348 PolarHBondContact O-N 3.43Å; S345-L348 WeakPolarHBondContact OG-CB 3.36Å; S345-L348 PolarHBondContact OG-N 3.46Å; S345-A349 PolarHBondContact O-N 2.98Å
346P79.4Confident82.8Confident105 Ų10554.9 Ų54.968%0.68230%0.303SS*.Hα-helixtrans-54.6-36.7-177.2-28.835.3000113.5M350P346-M350 WeakPolarHBondContact O-CB 3.39Å; P346-M350 WeakPolarHBondContact O-CG 2.97Å; P346-M350 PolarHBondContact O-N 3.46Å; P346-M350 VanDerWaalsContact O-N 3.08Å
347S84.1Confident82.9Confident71 Ų7158.9 Ų58.950%0.49731%0.313SS..Hα-helixtrans-63.1-44.3177.4-50.50000112.2S345 V351S345-S347 PolarHBondContact O-N 3.27Å; S345-S347 VanDerWaalsContact O-N 3.13Å; S347-V351 WeakPolarHBondContact O-CG2 3.34Å; S347-V351 PolarHBondContact O-N 3.2Å
348L85.4Confident83.5Confident3 Ų362.5 Ų62.52%0.01633%0.332CS..Hα-helixtrans-69.1-43.5179.7-178.561.8000111.6T344 S345 M350 V351 L352 L374 L375 L396T344-L348 HydrophobicContact CG2-CB 4.35Å; S345-L348 PolarHBondContact O-N 3.43Å; S345-L348 WeakPolarHBondContact OG-CB 3.36Å; S345-L348 PolarHBondContact OG-N 3.46Å; L348-M350 VanDerWaalsContact C-N 3.33Å; L348-M350 PolarHBondContact O-N 3.14Å; L348-V351 PolarHBondContact O-N 3.48Å; L348-L352 HydrophobicContact CD1-CD1 3.81Å; L348-L352 HydrophobicContact CD1-CG 3.97Å; L348-L352 HydrophobicContact CD2-CD1 4.45Å; L348-L352 HydrophobicContact CG-CD1 3.79Å; L348-L352 HydrophobicContact CG-CG 4.32Å; L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 2.92Å; L348-L374 HydrophobicContact CB-CD1 4.46Å; L348-L374 HydrophobicContact CD1-CB 4.05Å; L348-L374 HydrophobicContact CD1-CD1 4.41Å; L348-L375 HydrophobicContact CD1-CD2 4.17Å; L348-L375 HydrophobicContact CD1-CG 4.02Å; L348-L375 HydrophobicContact CD2-CD2 3.6Å; L348-L375 HydrophobicContact CD2-CG 4.29Å; L348-L396 HydrophobicContact CD2-CD2 3.66Å; L348-L396 HydrophobicContact CG-CD2 3.95Å
349A82.6Confident83.8Confident12 Ų1255.7 Ų55.710%0.09930%0.303CS..Hα-helixtrans-56.9-47.9175.900000111.5T344 S345 V351 L352 L353T344-A349 HydrophobicContact CG2-CB 3.65Å; S345-A349 PolarHBondContact O-N 2.98Å; A349-V351 VanDerWaalsContact C-N 3.25Å; A349-V351 PolarHBondContact O-N 3.36Å; A349-L352 PolarHBondContact O-N 3.09Å; A349-L353 WeakPolarHBondContact O-CB 3.3Å; A349-L353 VanDerWaalsContact O-CD1 3.24Å; A349-L353 WeakPolarHBondContact O-CD1 3.44Å; A349-L353 WeakPolarHBondContact O-CG 3.47Å; A349-L353 PolarHBondContact O-N 2.95Å; A349-L353 VanDerWaalsContact O-N 3.12Å
350M84.8Confident83.8Confident116 Ų11657.2 Ų57.257%0.57131%0.314SS*.Hα-helixtrans-60-34.2-177.9-78.9-63.3-55.600113.4L337 P346 L348L337-M350 HydrophobicContact CD1-SD 4.34Å; P346-M350 WeakPolarHBondContact O-CB 3.39Å; P346-M350 WeakPolarHBondContact O-CG 2.97Å; P346-M350 PolarHBondContact O-N 3.46Å; P346-M350 VanDerWaalsContact O-N 3.08Å; L348-M350 VanDerWaalsContact C-N 3.33Å; L348-M350 PolarHBondContact O-N 3.14Å
351V88.4Confident83.6Confident16 Ų1666 Ų6610%0.09735%0.348CS..Hα-helixtrans-78.3-47.2177.6179.40000110.5S347 L348 A349 L353 Q354 T367 I371 L374 W403S347-V351 WeakPolarHBondContact O-CG2 3.34Å; S347-V351 PolarHBondContact O-N 3.2Å; L348-V351 PolarHBondContact O-N 3.48Å; A349-V351 VanDerWaalsContact C-N 3.25Å; A349-V351 PolarHBondContact O-N 3.36Å; V351-L353 VanDerWaalsContact C-N 3.28Å; V351-L353 PolarHBondContact O-N 3.41Å; V351-Q354 WeakPolarHBondContact O-CB 3.43Å; V351-Q354 PolarHBondContact O-N 3.38Å; V351-T367 HydrophobicContact CG1-CG2 4.11Å; V351-I371 HydrophobicContact CB-CG1 4.46Å; V351-I371 HydrophobicContact CG1-CD1 3.8Å; V351-I371 HydrophobicContact CG1-CG1 3.42Å; V351-I371 VanDerWaalsContact CG1-CG1 3.42Å; V351-L374 HydrophobicContact CG2-CD1 4.31Å; V351-W403 VanDerWaalsContact O-CZ2 3.29Å; V351-W403 WeakPolarHBondContact O-CZ2 3.45Å
352L88.1Confident83.4Confident1 Ų169 Ų691%0.00538%0.381CS..Hα-helixtrans-66.1-27.5-174.1-70.7177.7000114.1L348 A349 Q354 I371 L396 F397 F400 W403L348-L352 HydrophobicContact CD1-CD1 3.81Å; L348-L352 HydrophobicContact CD1-CG 3.97Å; L348-L352 HydrophobicContact CD2-CD1 4.45Å; L348-L352 HydrophobicContact CG-CD1 3.79Å; L348-L352 HydrophobicContact CG-CG 4.32Å; L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 2.92Å; A349-L352 PolarHBondContact O-N 3.09Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.98Å; L352-I371 HydrophobicContact CD2-CD1 4.4Å; L352-I371 HydrophobicContact CD2-CG2 4.12Å; L352-L396 HydrophobicContact CD1-CD2 3.67Å; L352-L396 HydrophobicContact CD1-CG 3.83Å; L352-F397 HydrophobicContact CD2-CD2 3.93Å; L352-F397 HydrophobicContact CD2-CE2 4.2Å; L352-F400 HydrophobicContact CB-CB 4.3Å; L352-F400 HydrophobicContact CB-CD1 4.45Å; L352-F400 HydrophobicContact CB-CD2 3.64Å; L352-F400 HydrophobicContact CB-CE2 4.01Å; L352-F400 HydrophobicContact CB-CG 3.88Å; L352-F400 HydrophobicContact CD1-CD2 4.03Å; L352-F400 HydrophobicContact CD2-CB 4.43Å; L352-F400 HydrophobicContact CG-CD2 4.36Å; L352-F400 WeakPolarHBondContact O-CD1 3.45Å; L352-F400 WeakPolarHBondContact O-CG 3.19Å; L352-W403 HydrophobicContact CD2-CG 4.21Å; L352-W403 PolarHBondContact O-NE1 2.92Å
353L83.2Confident83.7Confident43 Ų4370.8 Ų70.823%0.22539%0.385CS..THydrogen-bonded Turntrans-74.4-13.3178.2-77.2158.6000114.8L337 A349 V351 F400L337-L353 HydrophobicContact CB-CD1 4.06Å; L337-L353 HydrophobicContact CD1-CD1 3.14Å; L337-L353 HydrophobicContact CD2-CD1 3.31Å; L337-L353 HydrophobicContact CD2-CD2 3.88Å; L337-L353 HydrophobicContact CD2-CG 4.26Å; L337-L353 HydrophobicContact CG-CD1 3.59Å; A349-L353 WeakPolarHBondContact O-CB 3.3Å; A349-L353 VanDerWaalsContact O-CD1 3.24Å; A349-L353 WeakPolarHBondContact O-CD1 3.44Å; A349-L353 WeakPolarHBondContact O-CG 3.47Å; A349-L353 PolarHBondContact O-N 2.95Å; A349-L353 VanDerWaalsContact O-N 3.12Å; V351-L353 VanDerWaalsContact C-N 3.28Å; V351-L353 PolarHBondContact O-N 3.41Å; L353-F400 HydrophobicContact CD2-CE1 3.77Å; L353-F400 HydrophobicContact CD2-CZ 3.74Å; L353-F400 HydrophobicContact CG-CE1 4.13Å; L353-F400 HydrophobicContact CG-CZ 3.98Å
354Q85.2Confident84.2Confident96 Ų9665.8 Ų65.845%0.44937%0.365SS..SBendtrans-68.2138.8173.5-60.8177.911.800108.8V351 L352 P356 W403V351-Q354 WeakPolarHBondContact O-CB 3.43Å; V351-Q354 PolarHBondContact O-N 3.38Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.98Å; Q354-P356 VanDerWaalsContact O-CD 3.26Å; Q354-P356 WeakPolarHBondContact O-CD 3.45Å; Q354-W403 HydrophobicContact CB-CZ2 4.22Å
355D82.6Confident84.8Confident82 Ų8267.3 Ų67.344%0.43937%0.372SS..  trans-64.7120.3170.2-171.9-20.7000108.1Q357 D358D355-Q357 PolarHBondContact O-N 3.22Å; D355-Q357 VanDerWaalsContact O-N 3.12Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.33Å; D355-Q357 PolarHBondContact OD1-N 3.11Å; D355-D358 HydrophobicContact CB-CB 4.28Å; D355-D358 PolarHBondContact O-N 3.39Å
356P84.3Confident85.4Confident19 Ų1971.5 Ų71.512%0.12339%0.386CS..G310 helixtrans-54.2-31176.1-22.632.3000112.5Q354 D358 I359 W403 M406Q354-P356 VanDerWaalsContact O-CD 3.26Å; Q354-P356 WeakPolarHBondContact O-CD 3.45Å; P356-D358 VanDerWaalsContact C-N 3.33Å; P356-D358 PolarHBondContact O-N 2.98Å; P356-I359 PolarHBondContact O-N 3.45Å; P356-W403 HydrophobicContact CB-CD2 4.36Å; P356-W403 HydrophobicContact CB-CE3 4.3Å; P356-W403 HydrophobicContact CG-CD2 3.89Å; P356-W403 HydrophobicContact CG-CE3 4.33Å; P356-W403 HydrophobicContact CG-CG 4.19Å; P356-W403 HydrophobicContact CG-CZ2 4.37Å; P356-M406 HydrophobicContact CB-CE 3.39Å; P356-M406 WeakPolarHBondContact O-CE 3.45Å
357Q83.1Confident85.9Confident137 Ų13767.8 Ų67.864%0.6436%0.361SS*.G310 helixtrans-71.8-23.7-179.5-60.6-61.5-23.400113.7D355 I359D355-Q357 PolarHBondContact O-N 3.22Å; D355-Q357 VanDerWaalsContact O-N 3.12Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.33Å; D355-Q357 PolarHBondContact OD1-N 3.11Å; Q357-I359 PolarHBondContact O-N 2.85Å
358D86.9Confident86.4Confident133 Ų13364.4 Ų64.471%0.71134%0.338SS*.G310 helixtrans-77.2-11.4178.2-75.3-23000112.7D355 P356D355-D358 HydrophobicContact CB-CB 4.28Å; D355-D358 PolarHBondContact O-N 3.39Å; P356-D358 VanDerWaalsContact C-N 3.33Å; P356-D358 PolarHBondContact O-N 2.98Å
359I86.9Confident86.7Confident17 Ų1768.3 Ų68.39%0.08736%0.355CS..SBendtrans-82.9128.6-177.4-54.8-171.8000109.8P356 Q357 R361 H363 W364 T367 W403P356-I359 PolarHBondContact O-N 3.45Å; Q357-I359 PolarHBondContact O-N 2.85Å; I359-R361 PolarHBondContact O-N 3.12Å; I359-H363 HydrophobicContact CG2-CB 4.06Å; I359-W364 PolarHBondContact O-NE1 2.87Å; I359-T367 HydrophobicContact CD1-CG2 3.98Å; I359-W403 HydrophobicContact CD1-CH2 3.21Å; I359-W403 HydrophobicContact CD1-CZ2 4.2Å; I359-W403 HydrophobicContact CD1-CZ3 3.71Å
360P87.6Confident87.2Confident82 Ų8271.5 Ų71.553%0.53237%0.367SS..  trans-62.1136174.4-20.831.5000111.3G362 H363P360-G362 PolarHBondContact O-N 3.48Å; P360-H363 PolarHBondContact O-N 3.35Å
361R82.3Confident87.6Confident186 Ų18666 Ų6670%0.70234%0.34SS*.G310 helixtrans-48.2-35.1-177.4-73.3-175179.7-159.4-4.1114.8I359 H363 W364I359-R361 PolarHBondContact O-N 3.12Å; R361-H363 PolarHBondContact O-N 2.95Å; R361-W364 HydrophobicContact CG-CD2 4.35Å; R361-W364 HydrophobicContact CG-CH2 4.12Å; R361-W364 HydrophobicContact CG-CZ2 3.72Å; R361-W364 PolarHBondContact O-N 3.32Å
362G83Confident87.8Confident75 Ų7565.3 Ų65.377%0.77334%0.336SS*.G310 helixtrans-63.5-20.5178.100000114.7P360P360-G362 PolarHBondContact O-N 3.48Å
363H87.1Confident88Confident99 Ų9970.9 Ų70.946%0.45836%0.362SS..G310 helixtrans-103.3-9.3-178.3-60.296.5000113.5I359 P360 R361 L365 Q366 T367I359-H363 HydrophobicContact CG2-CB 4.06Å; P360-H363 PolarHBondContact O-N 3.35Å; R361-H363 PolarHBondContact O-N 2.95Å; H363-L365 PolarHBondContact O-N 3.4Å; H363-Q366 PolarHBondContact O-N 3.23Å; H363-Q366 VanDerWaalsContact O-N 3.09Å; H363-T367 PolarHBondContact O-N 3.43Å; H363-T367 PolarHBondContact O-OG1 2.87Å; H363-T367 VanDerWaalsContact O-OG1 3.14Å
364W88.7Confident88.3Confident11 Ų1169.8 Ų69.84%0.04236%0.356CS..Hα-helixtrans-52.6-51.7-176.2-727.6000112.2I359 R361 Q366 T367 L368 M406 Q410I359-W364 PolarHBondContact O-NE1 2.87Å; R361-W364 HydrophobicContact CG-CD2 4.35Å; R361-W364 HydrophobicContact CG-CH2 4.12Å; R361-W364 HydrophobicContact CG-CZ2 3.72Å; R361-W364 PolarHBondContact O-N 3.32Å; W364-Q366 VanDerWaalsContact C-N 3.29Å; W364-Q366 PolarHBondContact O-N 3.44Å; W364-T367 PolarHBondContact O-N 2.75Å; W364-L368 WeakPolarHBondContact O-CB 3.38Å; W364-L368 VanDerWaalsContact O-CG 3.24Å; W364-L368 WeakPolarHBondContact O-CG 2.93Å; W364-L368 PolarHBondContact O-N 3.2Å; W364-M406 HydrophobicContact CB-SD 3.98Å; W364-M406 HydrophobicContact CD2-CE 3.89Å; W364-M406 HydrophobicContact CD2-CG 4.02Å; W364-M406 HydrophobicContact CD2-SD 3.82Å; W364-M406 HydrophobicContact CE3-CE 4.39Å; W364-M406 HydrophobicContact CE3-CG 3.69Å; W364-M406 HydrophobicContact CE3-SD 4.12Å; W364-M406 HydrophobicContact CG-CE 4.11Å; W364-M406 HydrophobicContact CG-CG 4.46Å; W364-M406 HydrophobicContact CG-SD 3.73Å; W364-M406 HydrophobicContact CZ2-CE 4.22Å; W364-M406 HydrophobicContact CZ3-CG 4.14Å; W364-Q410 HydrophobicContact CE3-CG 3.94Å
365L88.5Confident88.5Confident62 Ų6265.2 Ų65.233%0.32534%0.335SS..Hα-helixtrans-60.7-38.5-178.9179.661.6000112.6H363 K369 P419 L422H363-L365 PolarHBondContact O-N 3.4Å; L365-K369 HydrophobicContact CD1-CD 4.48Å; L365-K369 HydrophobicContact CD1-CG 4.45Å; L365-K369 HydrophobicContact CG-CD 4.35Å; L365-K369 WeakPolarHBondContact O-CB 3.33Å; L365-K369 VanDerWaalsContact O-CG 3.25Å; L365-K369 WeakPolarHBondContact O-CG 3.25Å; L365-K369 PolarHBondContact O-N 3.08Å; L365-P419 HydrophobicContact CD1-CB 4.27Å; L365-P419 HydrophobicContact CD1-CG 3.79Å; L365-L422 HydrophobicContact CD1-CD1 3.93Å; L365-L422 HydrophobicContact CD1-CD2 4.41Å; L365-L422 HydrophobicContact CD1-CG 4.19Å
366Q90.7Very high88.8Confident136 Ų13664.9 Ų64.964%0.63633%0.327SS*.Hα-helixtrans-69-44.5179.2-176.5176.7-2.700110.9H363 W364 K369 H370H363-Q366 PolarHBondContact O-N 3.23Å; H363-Q366 VanDerWaalsContact O-N 3.09Å; W364-Q366 VanDerWaalsContact C-N 3.29Å; W364-Q366 PolarHBondContact O-N 3.44Å; Q366-K369 PolarHBondContact O-N 3.47Å; Q366-H370 PolarHBondContact O-N 3.45Å
367T91.3Very high88.9Confident26 Ų2669.7 Ų69.716%0.1635%0.348CS..Hα-helixtrans-64.2-43.8177.8-51.90000111.5V351 I359 H363 W364 K369 H370 I371 W403V351-T367 HydrophobicContact CG1-CG2 4.11Å; I359-T367 HydrophobicContact CD1-CG2 3.98Å; H363-T367 PolarHBondContact O-N 3.43Å; H363-T367 PolarHBondContact O-OG1 2.87Å; H363-T367 VanDerWaalsContact O-OG1 3.14Å; W364-T367 PolarHBondContact O-N 2.75Å; T367-K369 PolarHBondContact O-N 2.85Å; T367-H370 WeakPolarHBondContact O-CB 3.48Å; T367-H370 PolarHBondContact O-N 2.94Å; T367-I371 HydrophobicContact CG2-CD1 4.21Å; T367-I371 WeakPolarHBondContact O-CG1 3.37Å; T367-I371 PolarHBondContact O-N 3.31Å; T367-W403 HydrophobicContact CG2-CH2 3.6Å; T367-W403 HydrophobicContact CG2-CZ3 3.68Å
368L93Very high88.9Confident0 Ų064.2 Ų64.20%033%0.327CS..Hα-helixtrans-64.5-38.4177.1-67.9175.4000112.3W364 H370 I371 S372 W403 M406 V407 Q410 L422 L425W364-L368 WeakPolarHBondContact O-CB 3.38Å; W364-L368 VanDerWaalsContact O-CG 3.24Å; W364-L368 WeakPolarHBondContact O-CG 2.93Å; W364-L368 PolarHBondContact O-N 3.2Å; L368-H370 VanDerWaalsContact C-N 3.33Å; L368-I371 HydrophobicContact CD2-CD1 4.41Å; L368-I371 PolarHBondContact O-N 3.32Å; L368-S372 PolarHBondContact O-N 3.31Å; L368-W403 HydrophobicContact CD2-CE3 3.8Å; L368-W403 HydrophobicContact CD2-CZ3 4.37Å; L368-M406 HydrophobicContact CD1-CG 4.09Å; L368-M406 HydrophobicContact CD1-SD 4.14Å; L368-M406 HydrophobicContact CD2-SD 4.19Å; L368-M406 HydrophobicContact CG-SD 4.19Å; L368-V407 HydrophobicContact CD1-CG2 4.01Å; L368-V407 HydrophobicContact CD2-CG2 3.67Å; L368-V407 HydrophobicContact CG-CG2 4.33Å; L368-Q410 HydrophobicContact CD1-CG 4.11Å; L368-L422 HydrophobicContact CB-CD2 3.43Å; L368-L422 VanDerWaalsContact CB-CD2 3.43Å; L368-L422 HydrophobicContact CD1-CD2 3.66Å; L368-L422 HydrophobicContact CG-CD2 4.16Å; L368-L425 HydrophobicContact CB-CD1 4.43Å; L368-L425 WeakPolarHBondContact O-CD1 3.38Å
369K92.8Very high88.6Confident86 Ų8658.3 Ų58.337%0.37430%0.296SS..Hα-helixtrans-59.9-45.2171.6-78.9174.1178.5-178.10111.3L365 Q366 T367 I371 S372 E373 A421L365-K369 HydrophobicContact CD1-CD 4.48Å; L365-K369 HydrophobicContact CD1-CG 4.45Å; L365-K369 HydrophobicContact CG-CD 4.35Å; L365-K369 WeakPolarHBondContact O-CB 3.33Å; L365-K369 VanDerWaalsContact O-CG 3.25Å; L365-K369 WeakPolarHBondContact O-CG 3.25Å; L365-K369 PolarHBondContact O-N 3.08Å; Q366-K369 PolarHBondContact O-N 3.47Å; T367-K369 PolarHBondContact O-N 2.85Å; K369-I371 PolarHBondContact O-N 2.77Å; K369-S372 WeakPolarHBondContact O-CB 3.46Å; K369-S372 PolarHBondContact O-N 2.87Å; K369-E373 WeakPolarHBondContact O-CG 3.49Å; K369-E373 PolarHBondContact O-N 3.28Å; K369-A421 HydrophobicContact CG-CB 3.9Å
370H93.4Very high88.3Confident79 Ų7959.5 Ų59.537%0.36630%0.301SS..Hα-helixtrans-62.1-43.1178.2-174.850000112.5Q366 T367 L368 S372 E373 L374Q366-H370 PolarHBondContact O-N 3.45Å; T367-H370 WeakPolarHBondContact O-CB 3.48Å; T367-H370 PolarHBondContact O-N 2.94Å; L368-H370 VanDerWaalsContact C-N 3.33Å; H370-S372 VanDerWaalsContact C-N 3.33Å; H370-S372 PolarHBondContact O-N 3.2Å; H370-E373 PolarHBondContact O-N 3.16Å; H370-L374 WeakPolarHBondContact O-CG 3.22Å; H370-L374 PolarHBondContact O-N 3.31Å
371I93Very high87.4Confident0 Ų060 Ų600%030%0.299CS..Hα-helixtrans-60.3-43.9173.7-66.3164.2000110.7V351 L352 T367 L368 K369 E373 L374 L375 F397 W403 L425V351-I371 HydrophobicContact CB-CG1 4.46Å; V351-I371 HydrophobicContact CG1-CD1 3.8Å; V351-I371 HydrophobicContact CG1-CG1 3.42Å; V351-I371 VanDerWaalsContact CG1-CG1 3.42Å; L352-I371 HydrophobicContact CD2-CD1 4.4Å; L352-I371 HydrophobicContact CD2-CG2 4.12Å; T367-I371 HydrophobicContact CG2-CD1 4.21Å; T367-I371 WeakPolarHBondContact O-CG1 3.37Å; T367-I371 PolarHBondContact O-N 3.31Å; L368-I371 HydrophobicContact CD2-CD1 4.41Å; L368-I371 PolarHBondContact O-N 3.32Å; K369-I371 PolarHBondContact O-N 2.77Å; I371-E373 VanDerWaalsContact C-N 3.32Å; I371-E373 PolarHBondContact O-N 2.89Å; I371-L374 PolarHBondContact O-N 2.95Å; I371-L375 HydrophobicContact CG2-CD1 3.8Å; I371-L375 HydrophobicContact CG2-CG 4.41Å; I371-L375 WeakPolarHBondContact O-CB 3.45Å; I371-L375 WeakPolarHBondContact O-CG 3.41Å; I371-L375 PolarHBondContact O-N 3.38Å; I371-F397 HydrophobicContact CG2-CE2 4.15Å; I371-W403 HydrophobicContact CD1-CD2 3.6Å; I371-W403 HydrophobicContact CD1-CE3 3.44Å; I371-W403 VanDerWaalsContact CD1-CE3 3.44Å; I371-W403 HydrophobicContact CD1-CG 4.18Å; I371-W403 HydrophobicContact CD1-CH2 3.89Å; I371-W403 HydrophobicContact CD1-CZ2 4.15Å; I371-W403 HydrophobicContact CD1-CZ3 3.59Å; I371-L425 HydrophobicContact CG2-CD2 4.14Å
372S92.6Very high86.3Confident1 Ų157.3 Ų57.31%0.00729%0.294CS..Hα-helixtrans-60.5-40.8177-174.80000112.5L368 K369 H370 R376 A421L368-S372 PolarHBondContact O-N 3.31Å; K369-S372 WeakPolarHBondContact O-CB 3.46Å; K369-S372 PolarHBondContact O-N 2.87Å; H370-S372 VanDerWaalsContact C-N 3.33Å; H370-S372 PolarHBondContact O-N 3.2Å; S372-R376 WeakPolarHBondContact O-CB 3.12Å; S372-R376 PolarHBondContact O-N 2.98Å; S372-R376 PolarHBondContact OG-NH2 3.08Å; S372-A421 PolarHBondContact OG-O 3.5Å
373E91.7Very high84.9Confident119 Ų11959 Ų5956%0.55629%0.29SS*.Hα-helixtrans-63.7-50.6177.6-72.5163.2-175.700111K369 H370 I371 L375 R376 E377K369-E373 WeakPolarHBondContact O-CG 3.49Å; K369-E373 PolarHBondContact O-N 3.28Å; H370-E373 PolarHBondContact O-N 3.16Å; I371-E373 VanDerWaalsContact C-N 3.32Å; I371-E373 PolarHBondContact O-N 2.89Å; E373-L375 PolarHBondContact O-N 3.26Å; E373-R376 PolarHBondContact O-N 3.02Å; E373-E377 PolarHBondContact O-N 3.43Å
374L90.8Very high82.8Confident20 Ų2064.1 Ų64.111%0.10531%0.313CS..Hα-helixtrans-61-42.1179.4-69.7176.1000112.6L348 V351 H370 I371 A378L348-L374 HydrophobicContact CB-CD1 4.46Å; L348-L374 HydrophobicContact CD1-CB 4.05Å; L348-L374 HydrophobicContact CD1-CD1 4.41Å; V351-L374 HydrophobicContact CG2-CD1 4.31Å; H370-L374 WeakPolarHBondContact O-CG 3.22Å; H370-L374 PolarHBondContact O-N 3.31Å; I371-L374 PolarHBondContact O-N 2.95Å; L374-A378 WeakPolarHBondContact O-CB 3.28Å; L374-A378 PolarHBondContact O-N 3Å; L374-A378 VanDerWaalsContact O-N 3.12Å
375L89.3Confident80.9Confident0 Ų066.7 Ų66.70%034%0.343CS..Hα-helixtrans-68.2-37.9176.5-77.3171000111.8L348 I371 E373 A378 V379 F397 W424 L425 F428L348-L375 HydrophobicContact CD1-CD2 4.17Å; L348-L375 HydrophobicContact CD1-CG 4.02Å; L348-L375 HydrophobicContact CD2-CD2 3.6Å; L348-L375 HydrophobicContact CD2-CG 4.29Å; I371-L375 HydrophobicContact CG2-CD1 3.8Å; I371-L375 HydrophobicContact CG2-CG 4.41Å; I371-L375 WeakPolarHBondContact O-CB 3.45Å; I371-L375 WeakPolarHBondContact O-CG 3.41Å; I371-L375 PolarHBondContact O-N 3.38Å; E373-L375 PolarHBondContact O-N 3.26Å; L375-A378 PolarHBondContact O-N 2.89Å; L375-V379 VanDerWaalsContact O-CB 3.28Å; L375-V379 WeakPolarHBondContact O-CB 3.35Å; L375-V379 WeakPolarHBondContact O-CG2 3.26Å; L375-V379 PolarHBondContact O-N 3.1Å; L375-F397 HydrophobicContact CD1-CB 4.44Å; L375-F397 HydrophobicContact CD1-CD1 4.46Å; L375-F397 HydrophobicContact CD1-CD2 3.88Å; L375-F397 HydrophobicContact CD1-CE2 4.24Å; L375-F397 HydrophobicContact CD1-CG 4.02Å; L375-W424 HydrophobicContact CB-CH2 3.83Å; L375-W424 HydrophobicContact CB-CZ3 3.74Å; L375-L425 HydrophobicContact CD1-CD2 3.62Å; L375-F428 HydrophobicContact CD1-CD1 4.31Å; L375-F428 HydrophobicContact CD1-CE1 4.29Å; L375-F428 HydrophobicContact CD2-CE1 4.1Å
376R88.2Confident79.2Confident74 Ų7466.6 Ų66.628%0.27935%0.348SS..Hα-helixtrans-68.4-40.9178.8-166.5-178.4-51.9-1480.4111.8S372 E373 A378 V379 E380 W424S372-R376 WeakPolarHBondContact O-CB 3.12Å; S372-R376 PolarHBondContact O-N 2.98Å; S372-R376 PolarHBondContact OG-NH2 3.08Å; E373-R376 PolarHBondContact O-N 3.02Å; R376-A378 VanDerWaalsContact C-N 3.31Å; R376-A378 PolarHBondContact O-N 3.17Å; R376-V379 PolarHBondContact O-N 3.38Å; R376-E380 HydrophobicContact CG-CB 4.21Å; R376-E380 HydrophobicContact CG-CG 3.83Å; R376-E380 WeakPolarHBondContact CG-OE2 3.41Å; R376-E380 WeakPolarHBondContact O-CA 3.42Å; R376-E380 VanDerWaalsContact O-CB 3.29Å; R376-E380 WeakPolarHBondContact O-CB 3.33Å; R376-E380 PolarHBondContact O-N 3.16Å; R376-W424 HydrophobicContact CB-CH2 4.12Å; R376-W424 HydrophobicContact CB-CZ2 3.89Å; R376-W424 HydrophobicContact CG-CZ2 3.97Å; R376-W424 VanDerWaalsContact NH2-CG 3.29Å
377E86.8Confident77.3Confident120 Ų12064.9 Ų64.956%0.56135%0.35SS*.Hα-helixtrans-58-46.3172.4-174.4-178.7177.700110.3E373 V379 D381E373-E377 PolarHBondContact O-N 3.43Å; E377-V379 PolarHBondContact O-N 3.08Å; E377-D381 WeakPolarHBondContact O-CB 3.47Å; E377-D381 PolarHBondContact O-N 3.05Å
378A82.1Confident75.8Confident23 Ų2364.5 Ų64.519%0.1935%0.351CS..Hα-helixtrans-66-33.5179.300000114L374 L375 R376 S393L374-A378 WeakPolarHBondContact O-CB 3.28Å; L374-A378 PolarHBondContact O-N 3Å; L374-A378 VanDerWaalsContact O-N 3.12Å; L375-A378 PolarHBondContact O-N 2.89Å; R376-A378 VanDerWaalsContact C-N 3.31Å; R376-A378 PolarHBondContact O-N 3.17Å; A378-S393 WeakPolarHBondContact CB-OG 3.45Å
379V82Confident74.9Confident9 Ų966.4 Ų66.46%0.05537%0.37CS..Hα-helixtrans-94.4-40.8-172.6172.10000113L375 R376 E377 P390 F428L375-V379 VanDerWaalsContact O-CB 3.28Å; L375-V379 WeakPolarHBondContact O-CB 3.35Å; L375-V379 WeakPolarHBondContact O-CG2 3.26Å; L375-V379 PolarHBondContact O-N 3.1Å; R376-V379 PolarHBondContact O-N 3.38Å; E377-V379 PolarHBondContact O-N 3.08Å; V379-P390 HydrophobicContact CG1-CB 4.03Å; V379-P390 HydrophobicContact CG1-CG 4.25Å; V379-F428 HydrophobicContact CG1-CE2 4.27Å; V379-F428 HydrophobicContact CG2-CE2 3.78Å; V379-F428 HydrophobicContact CG2-CZ 3.7Å
380E79.6Confident74.3Confident41 Ų4164.5 Ų64.519%0.19237%0.367CS..Hα-helixtrans-101.2-32.6-171.2-57.2-172.8-178.500112.7R376 Q382 W424 R436 R439R376-E380 HydrophobicContact CG-CB 4.21Å; R376-E380 HydrophobicContact CG-CG 3.83Å; R376-E380 WeakPolarHBondContact CG-OE2 3.41Å; R376-E380 WeakPolarHBondContact O-CA 3.42Å; R376-E380 VanDerWaalsContact O-CB 3.29Å; R376-E380 WeakPolarHBondContact O-CB 3.33Å; R376-E380 PolarHBondContact O-N 3.16Å; E380-Q382 PolarHBondContact O-N 3.44Å; E380-W424 PolarHBondContact OE1-NE1 3.33Å; E380-R436 IonicContact OE2-CZ 3.29Å; E380-R436 VanDerWaalsContact OE2-CZ 3.29Å; E380-R436 IonicContact OE2-NE 2.9Å; E380-R436 PolarHBondContact OE2-NE 2.82Å; E380-R436 IonicContact OE2-NH2 2.75Å; E380-R436 PolarHBondContact OE2-NH2 2.89Å; E380-R439 IonicContact OE1-NH1 3.2Å; E380-R439 PolarHBondContact OE1-NH1 3.18Å
381D69.3Low73.9Confident92 Ų9263.2 Ų63.249%0.49236%0.36SS..  trans-97.369.6-177.9-64.6-29.5000110.8E377 T383E377-D381 WeakPolarHBondContact O-CB 3.47Å; E377-D381 PolarHBondContact O-N 3.05Å; D381-T383 PolarHBondContact O-N 2.86Å
382Q59.6Low73.6Confident131 Ų13165.4 Ų65.461%0.61237%0.37SS*.  trans-7170.2174.5-66.9-177.524.100111.5E380E380-Q382 PolarHBondContact O-N 3.44Å
383T51.9Low73.4Confident110 Ų11065.9 Ų65.968%0.67537%0.374SS*.  trans-67.7145.4156.550.50000108.4D381 G385D381-T383 PolarHBondContact O-N 2.86Å; T383-G385 PolarHBondContact O-N 3.39Å
384H43.6Very low73.3Confident206 Ų20660.9 Ų60.995%0.95435%0.35SS*.THydrogen-bonded Turntrans-68.143.9-164-72.143.1000115.7
385G49.4Very low73.3Confident65 Ų6560.1 Ų60.167%0.6735%0.346SS*.THydrogen-bonded Turntrans-159.35-17800000116.2T383 C387T383-G385 PolarHBondContact O-N 3.39Å; G385-C387 PolarHBondContact O-N 2.72Å
386S52.2Low73.3Confident60 Ų6060.4 Ų60.442%0.4235%0.347SS..  trans-74.7115.1173.7750000110.5G388S386-G388 PolarHBondContact O-N 3Å
387C51.3Low73.5Confident101 Ų10157 Ų5768%0.68233%0.334SS*.SBendtrans-7971.6177-79.70000110.6Y343 G385Y343-C387 WeakPolarHBondContact CA-O 3.25Å; Y343-C387 WeakPolarHBondContact CB-O 3.43Å; G385-C387 PolarHBondContact O-N 2.72Å
388G59.8Low73.8Confident18 Ų1851.2 Ų51.219%0.18631%0.308CS..SBendtrans156.4124172.300000111.7S386S386-G388 PolarHBondContact O-N 3Å
389G74.1Confident74.3Confident39 Ų3950.3 Ų50.340%0.40230%0.299SS..  trans-71.7-177.6177.700000113.1F391 E392 S393G389-F391 PolarHBondContact O-N 3.14Å; G389-F391 VanDerWaalsContact O-N 3.08Å; G389-E392 PolarHBondContact O-N 3.46Å; G389-S393 PolarHBondContact O-N 3.46Å
390P80.6Confident74.7Confident46 Ų4650.9 Ų50.930%0.29930%0.301SS..Hα-helixtrans-51.4-34.8177.1-29.636.4000114.2V379 W394V379-P390 HydrophobicContact CG1-CB 4.03Å; V379-P390 HydrophobicContact CG1-CG 4.25Å; P390-W394 PolarHBondContact O-N 3.13Å; P390-W394 VanDerWaalsContact O-N 3.08Å
391F84.8Confident75.1Confident53 Ų5349.1 Ų49.123%0.23229%0.294CS..Hα-helixtrans-63.3-43.1176.6178.7-96.8000112.8R299 L303 G389 S393 W394 F395R299-F391 HydrophobicContact CG-CE1 3.85Å; R299-F391 HydrophobicContact CG-CZ 3.96Å; L303-F391 HydrophobicContact CD1-CZ 4.3Å; L303-F391 HydrophobicContact CD2-CD2 4.41Å; L303-F391 HydrophobicContact CD2-CE2 3.61Å; L303-F391 HydrophobicContact CD2-CZ 3.87Å; L303-F391 HydrophobicContact CG-CE2 4.29Å; L303-F391 HydrophobicContact CG-CZ 4.07Å; G389-F391 PolarHBondContact O-N 3.14Å; G389-F391 VanDerWaalsContact O-N 3.08Å; F391-S393 VanDerWaalsContact C-N 3.32Å; F391-S393 PolarHBondContact O-N 2.86Å; F391-W394 AromaticContact CD2-CE3 3.97Å; F391-W394 HydrophobicContact CD2-CE3 3.97Å; F391-W394 HydrophobicContact CD2-CZ3 4.16Å; F391-W394 AromaticContact CE2-CE3 3.92Å; F391-W394 HydrophobicContact CE2-CE3 3.92Å; F391-W394 AromaticContact CE2-CZ3 3.7Å; F391-W394 HydrophobicContact CE2-CZ3 3.7Å; F391-W394 PolarHBondContact O-N 3.39Å; F391-F395 HydrophobicContact CE1-CB 4.2Å; F391-F395 HydrophobicContact CE1-CG 4.42Å; F391-F395 HydrophobicContact CZ-CB 4.4Å; F391-F395 HydrophobicContact CZ-CD2 4.33Å; F391-F395 VanDerWaalsContact O-CB 3.22Å; F391-F395 WeakPolarHBondContact O-CB 3.49Å; F391-F395 PolarHBondContact O-N 2.74Å
392E86.6Confident76Confident45 Ų4546.1 Ų46.121%0.2129%0.285CS..Hα-helixtrans-65.9-38.2-178.8-63.9-54.714500111.7R299 G389 L396R299-E392 IonicContact NH2-OE2 3Å; G389-E392 PolarHBondContact O-N 3.46Å; E392-L396 WeakPolarHBondContact O-CB 3.41Å; E392-L396 PolarHBondContact O-N 3.5Å
393S87.4Confident77.6Confident12 Ų1240 Ų408%0.08426%0.256CS..Hα-helixtrans-66.6-39.6175.7-64.70000111.8A378 G389 F391 F397A378-S393 WeakPolarHBondContact CB-OG 3.45Å; G389-S393 PolarHBondContact O-N 3.46Å; F391-S393 VanDerWaalsContact C-N 3.32Å; F391-S393 PolarHBondContact O-N 2.86Å; S393-F397 WeakPolarHBondContact O-CB 3.44Å; S393-F397 PolarHBondContact O-N 2.97Å; S393-F397 VanDerWaalsContact O-N 3.09Å
394W89.7Confident79.4Confident13 Ų1335.2 Ų35.25%0.04923%0.228CC..Hα-helixtrans-69.9-46175.5172.375.5000112.2L302 I312 P390 F391 L396 F397 I398 F428 Y429 P432L302-W394 HydrophobicContact CD1-CH2 4.13Å; L302-W394 HydrophobicContact CD2-CE3 4.43Å; L302-W394 HydrophobicContact CD2-CH2 3.48Å; L302-W394 VanDerWaalsContact CD2-CH2 3.48Å; L302-W394 HydrophobicContact CD2-CZ3 3.36Å; L302-W394 HydrophobicContact CG-CH2 3.91Å; L302-W394 HydrophobicContact CG-CZ3 4.13Å; I312-W394 HydrophobicContact CD1-CZ2 4.31Å; P390-W394 PolarHBondContact O-N 3.13Å; P390-W394 VanDerWaalsContact O-N 3.08Å; F391-W394 AromaticContact CD2-CE3 3.97Å; F391-W394 HydrophobicContact CD2-CE3 3.97Å; F391-W394 HydrophobicContact CD2-CZ3 4.16Å; F391-W394 AromaticContact CE2-CE3 3.92Å; F391-W394 HydrophobicContact CE2-CE3 3.92Å; F391-W394 AromaticContact CE2-CZ3 3.7Å; F391-W394 HydrophobicContact CE2-CZ3 3.7Å; F391-W394 PolarHBondContact O-N 3.39Å; W394-L396 VanDerWaalsContact C-N 3.29Å; W394-L396 PolarHBondContact O-N 2.96Å; W394-F397 WeakPolarHBondContact O-CA 3.37Å; W394-F397 WeakPolarHBondContact O-CB 3.36Å; W394-F397 PolarHBondContact O-N 3.15Å; W394-I398 HydrophobicContact CD2-CG2 4.14Å; W394-I398 HydrophobicContact CG-CG2 4.46Å; W394-I398 HydrophobicContact CZ2-CG2 3.92Å; W394-I398 PolarHBondContact O-N 3.2Å; W394-F428 HydrophobicContact CB-CE1 3.98Å; W394-F428 HydrophobicContact CB-CE2 4.18Å; W394-F428 HydrophobicContact CB-CZ 3.57Å; W394-Y429 PolarHBondContact NE1-O 2.94Å; W394-P432 HydrophobicContact CB-CB 3.85Å; W394-P432 HydrophobicContact CD2-CB 3.47Å; W394-P432 VanDerWaalsContact CD2-CB 3.47Å; W394-P432 HydrophobicContact CD2-CG 3.81Å; W394-P432 HydrophobicContact CE3-CB 4.12Å; W394-P432 HydrophobicContact CE3-CG 4.29Å; W394-P432 HydrophobicContact CG-CB 3.34Å; W394-P432 HydrophobicContact CG-CG 4.17Å; W394-P432 HydrophobicContact CH2-CG 4.31Å; W394-P432 HydrophobicContact CZ2-CB 4.44Å; W394-P432 HydrophobicContact CZ2-CG 3.87Å
395F91.1Very high81.5Confident5 Ų531.1 Ų31.12%0.02221%0.209CC..Hα-helixtrans-58.4-44.4179.7-175.5-107.5000110.3D295 R299 L302 I315 F391 F397 I398 H399D295-F395 WeakPolarHBondContact OD1-CE1 3.47Å; D295-F395 WeakPolarHBondContact OD2-CE1 3.4Å; R299-F395 HydrophobicContact CB-CE1 4.44Å; R299-F395 HydrophobicContact CB-CE2 4.06Å; R299-F395 HydrophobicContact CB-CZ 3.89Å; R299-F395 VanDerWaalsContact NH2-CE1 3.29Å; L302-F395 HydrophobicContact CD2-CD2 3.71Å; L302-F395 HydrophobicContact CD2-CE2 3.95Å; I315-F395 HydrophobicContact CD1-CE2 4.23Å; F391-F395 HydrophobicContact CE1-CB 4.2Å; F391-F395 HydrophobicContact CE1-CG 4.42Å; F391-F395 HydrophobicContact CZ-CB 4.4Å; F391-F395 HydrophobicContact CZ-CD2 4.33Å; F391-F395 VanDerWaalsContact O-CB 3.22Å; F391-F395 WeakPolarHBondContact O-CB 3.49Å; F391-F395 PolarHBondContact O-N 2.74Å; F395-F397 PolarHBondContact O-N 3.08Å; F395-I398 HydrophobicContact CD2-CD1 3.93Å; F395-I398 HydrophobicContact CD2-CG1 4.39Å; F395-I398 HydrophobicContact CE2-CD1 4.25Å; F395-I398 WeakPolarHBondContact O-CG1 3.27Å; F395-I398 PolarHBondContact O-N 3.38Å; F395-H399 AromaticContact CD1-NE2 3.96Å; F395-H399 AromaticContact CE1-NE2 3.32Å; F395-H399 VanDerWaalsContact CE1-NE2 3.32Å; F395-H399 WeakPolarHBondContact CE1-NE2 3.24Å; F395-H399 AromaticContact CZ-NE2 3.5Å; F395-H399 PolarHBondContact O-CD2 3.42Å; F395-H399 PolarHBondContact O-N 3.07Å
396L90.4Very high83.4Confident6 Ų628.3 Ų28.33%0.03118%0.179CC..Hα-helixtrans-58.5-46.6169.9179.275000112.5F341 T344 L348 L352 E392 W394 I398 H399 F400F341-L396 HydrophobicContact CB-CD1 4.21Å; F341-L396 HydrophobicContact CD1-CD1 3.61Å; F341-L396 HydrophobicContact CE1-CD1 4.05Å; F341-L396 HydrophobicContact CG-CD1 3.87Å; T344-L396 HydrophobicContact CG2-CD1 4.21Å; T344-L396 HydrophobicContact CG2-CD2 3.21Å; T344-L396 HydrophobicContact CG2-CG 4.31Å; T344-L396 WeakPolarHBondContact OG1-CD1 3.47Å; T344-L396 WeakPolarHBondContact OG1-CD2 3.41Å; L348-L396 HydrophobicContact CD2-CD2 3.66Å; L348-L396 HydrophobicContact CG-CD2 3.95Å; L352-L396 HydrophobicContact CD1-CD2 3.67Å; L352-L396 HydrophobicContact CD1-CG 3.83Å; E392-L396 WeakPolarHBondContact O-CB 3.41Å; E392-L396 PolarHBondContact O-N 3.5Å; W394-L396 VanDerWaalsContact C-N 3.29Å; W394-L396 PolarHBondContact O-N 2.96Å; L396-I398 VanDerWaalsContact C-N 3.29Å; L396-I398 PolarHBondContact O-N 3.29Å; L396-H399 WeakPolarHBondContact O-CB 3.43Å; L396-H399 PolarHBondContact O-N 2.93Å; L396-F400 HydrophobicContact CD1-CE2 3.9Å; L396-F400 HydrophobicContact CG-CE2 4.47Å; L396-F400 WeakPolarHBondContact O-CD2 3.25Å
397F91.5Very high85.3Confident1 Ų125.4 Ų25.40%0.00416%0.159CC..Hα-helixtrans-62.5-36.1-177-172.8-125.5000112.3L352 I371 L375 S393 W394 F395 H399 F400 W403 A404 L425 F428 Y429L352-F397 HydrophobicContact CD2-CD2 3.93Å; L352-F397 HydrophobicContact CD2-CE2 4.2Å; I371-F397 HydrophobicContact CG2-CE2 4.15Å; L375-F397 HydrophobicContact CD1-CB 4.44Å; L375-F397 HydrophobicContact CD1-CD1 4.46Å; L375-F397 HydrophobicContact CD1-CD2 3.88Å; L375-F397 HydrophobicContact CD1-CE2 4.24Å; L375-F397 HydrophobicContact CD1-CG 4.02Å; S393-F397 WeakPolarHBondContact O-CB 3.44Å; S393-F397 PolarHBondContact O-N 2.97Å; S393-F397 VanDerWaalsContact O-N 3.09Å; W394-F397 WeakPolarHBondContact O-CA 3.37Å; W394-F397 WeakPolarHBondContact O-CB 3.36Å; W394-F397 PolarHBondContact O-N 3.15Å; F395-F397 PolarHBondContact O-N 3.08Å; F397-H399 VanDerWaalsContact C-N 3.31Å; F397-H399 PolarHBondContact O-N 2.77Å; F397-F400 CarbonylContact O-C 3.53Å; F397-F400 PolarHBondContact O-N 3.04Å; F397-F400 VanDerWaalsContact O-N 3.15Å; F397-W403 HydrophobicContact CE2-CB 3.84Å; F397-W403 HydrophobicContact CZ-CB 4.28Å; F397-A404 HydrophobicContact CE1-CB 4.37Å; F397-A404 HydrophobicContact CZ-CB 4.38Å; F397-L425 HydrophobicContact CE1-CD2 4.47Å; F397-L425 HydrophobicContact CZ-CD2 4.12Å; F397-F428 HydrophobicContact CD1-CD1 4.29Å; F397-Y429 AromaticContact CD1-CD2 3.88Å; F397-Y429 HydrophobicContact CD1-CD2 3.88Å; F397-Y429 AromaticContact CE1-CD2 3.81Å; F397-Y429 HydrophobicContact CE1-CD2 3.81Å; F397-Y429 HydrophobicContact CE1-CG 4.39Å
398I92.6Very high87Confident0 Ų022.2 Ų22.20%014%0.139CC..Hα-helixtrans-67.3-28.4177.664.1160.4000113.2L302 I312 I315 Q316 W394 F395 L396 F400 G401 Y429L302-I398 HydrophobicContact CD1-CD1 4.48Å; L302-I398 HydrophobicContact CD2-CD1 3.5Å; L302-I398 VanDerWaalsContact CD2-CD1 3.5Å; I312-I398 HydrophobicContact CG1-CD1 4.44Å; I312-I398 HydrophobicContact CG2-CB 4.39Å; I315-I398 HydrophobicContact CD1-CD1 3.78Å; I315-I398 HydrophobicContact CG2-CD1 4.44Å; Q316-I398 WeakPolarHBondContact CG-O 3.42Å; Q316-I398 PolarHBondContact NE2-O 2.7Å; W394-I398 HydrophobicContact CD2-CG2 4.14Å; W394-I398 HydrophobicContact CG-CG2 4.46Å; W394-I398 HydrophobicContact CZ2-CG2 3.92Å; W394-I398 PolarHBondContact O-N 3.2Å; F395-I398 HydrophobicContact CD2-CD1 3.93Å; F395-I398 HydrophobicContact CD2-CG1 4.39Å; F395-I398 HydrophobicContact CE2-CD1 4.25Å; F395-I398 WeakPolarHBondContact O-CG1 3.27Å; F395-I398 PolarHBondContact O-N 3.38Å; L396-I398 VanDerWaalsContact C-N 3.29Å; L396-I398 PolarHBondContact O-N 3.29Å; I398-F400 PolarHBondContact O-N 3.1Å; I398-G401 PolarHBondContact O-N 3.49Å; I398-Y429 HydrophobicContact CG2-CD2 4.3Å; I398-Y429 HydrophobicContact CG2-CE2 4.01Å
399H91.9Very high88.3Confident4 Ų424.9 Ų24.92%0.01915%0.147CC..Hα-helixtrans-57.2-35.1173-81.7-86.7000111.6D295 T319 F395 L396 F397D295-H399 IonicContact OD1-CE1 2.67Å; D295-H399 PolarHBondContact OD1-CE1 2.9Å; D295-H399 IonicContact OD1-NE2 3.32Å; D295-H399 PolarHBondContact OD1-NE2 3.33Å; T319-H399 WeakPolarHBondContact CB-O 3.31Å; T319-H399 HydrophobicContact CG2-CB 4.03Å; T319-H399 WeakPolarHBondContact CG2-O 2.83Å; T319-H399 PolarHBondContact OG1-ND1 3.41Å; F395-H399 AromaticContact CD1-NE2 3.96Å; F395-H399 AromaticContact CE1-NE2 3.32Å; F395-H399 VanDerWaalsContact CE1-NE2 3.32Å; F395-H399 WeakPolarHBondContact CE1-NE2 3.24Å; F395-H399 AromaticContact CZ-NE2 3.5Å; F395-H399 PolarHBondContact O-CD2 3.42Å; F395-H399 PolarHBondContact O-N 3.07Å; L396-H399 WeakPolarHBondContact O-CB 3.43Å; L396-H399 PolarHBondContact O-N 2.93Å; F397-H399 VanDerWaalsContact C-N 3.31Å; F397-H399 PolarHBondContact O-N 2.77Å
400F90.9Very high88.9Confident21 Ų2125.4 Ų25.49%0.09214%0.139CC..THydrogen-bonded Turntrans-106.751.7-177.6-54-81.8000111.3T319 F341 L352 L353 L396 F397 I398 G402 W403T319-F400 HydrophobicContact CG2-CD1 4.48Å; T319-F400 HydrophobicContact CG2-CE1 4.17Å; F341-F400 HydrophobicContact CE2-CZ 4.12Å; F341-F400 HydrophobicContact CZ-CE2 4.32Å; F341-F400 HydrophobicContact CZ-CZ 4.15Å; L352-F400 HydrophobicContact CB-CB 4.3Å; L352-F400 HydrophobicContact CB-CD1 4.45Å; L352-F400 HydrophobicContact CB-CD2 3.64Å; L352-F400 HydrophobicContact CB-CE2 4.01Å; L352-F400 HydrophobicContact CB-CG 3.88Å; L352-F400 HydrophobicContact CD1-CD2 4.03Å; L352-F400 HydrophobicContact CD2-CB 4.43Å; L352-F400 HydrophobicContact CG-CD2 4.36Å; L352-F400 WeakPolarHBondContact O-CD1 3.45Å; L352-F400 WeakPolarHBondContact O-CG 3.19Å; L353-F400 HydrophobicContact CD2-CE1 3.77Å; L353-F400 HydrophobicContact CD2-CZ 3.74Å; L353-F400 HydrophobicContact CG-CE1 4.13Å; L353-F400 HydrophobicContact CG-CZ 3.98Å; L396-F400 HydrophobicContact CD1-CE2 3.9Å; L396-F400 HydrophobicContact CG-CE2 4.47Å; L396-F400 WeakPolarHBondContact O-CD2 3.25Å; F397-F400 CarbonylContact O-C 3.53Å; F397-F400 PolarHBondContact O-N 3.04Å; F397-F400 VanDerWaalsContact O-N 3.15Å; I398-F400 PolarHBondContact O-N 3.1Å; F400-G402 PolarHBondContact O-N 3.28Å; F400-W403 VanDerWaalsContact O-CD1 3.28Å; F400-W403 PolarHBondContact O-N 3.49Å; F400-W403 VanDerWaalsContact O-N 3.08Å
401G88Confident89.2Confident4 Ų424.2 Ų24.24%0.04113%0.13CC..THydrogen-bonded Turntrans-54.4-25.2-177.200000116Q316 I398 W403 A404 E405Q316-G401 VanDerWaalsContact NE2-CA 3.28Å; I398-G401 PolarHBondContact O-N 3.49Å; G401-W403 PolarHBondContact O-N 3.37Å; G401-W403 VanDerWaalsContact O-N 3.11Å; G401-A404 WeakPolarHBondContact O-CA 3.5Å; G401-A404 WeakPolarHBondContact O-CB 3.49Å; G401-A404 PolarHBondContact O-N 2.97Å; G401-E405 PolarHBondContact O-N 3.32Å
402G88.9Confident89.1Confident29 Ų2928.7 Ų28.730%0.29916%0.155SC..Hα-helixtrans-56.9-27.1175.700000113.3F400 M406F400-G402 PolarHBondContact O-N 3.28Å; G402-M406 WeakPolarHBondContact O-CB 3.43Å; G402-M406 PolarHBondContact O-N 2.97Å
403W91.9Very high88.8Confident2 Ų233.3 Ų33.31%0.00818%0.179CC..Hα-helixtrans-69.2-39.1172.1-66.1108.6000112.8V351 L352 Q354 P356 I359 T367 L368 I371 F397 F400 G401 M406 V407V351-W403 VanDerWaalsContact O-CZ2 3.29Å; V351-W403 WeakPolarHBondContact O-CZ2 3.45Å; L352-W403 HydrophobicContact CD2-CG 4.21Å; L352-W403 PolarHBondContact O-NE1 2.92Å; Q354-W403 HydrophobicContact CB-CZ2 4.22Å; P356-W403 HydrophobicContact CB-CD2 4.36Å; P356-W403 HydrophobicContact CB-CE3 4.3Å; P356-W403 HydrophobicContact CG-CD2 3.89Å; P356-W403 HydrophobicContact CG-CE3 4.33Å; P356-W403 HydrophobicContact CG-CG 4.19Å; P356-W403 HydrophobicContact CG-CZ2 4.37Å; I359-W403 HydrophobicContact CD1-CH2 3.21Å; I359-W403 HydrophobicContact CD1-CZ2 4.2Å; I359-W403 HydrophobicContact CD1-CZ3 3.71Å; T367-W403 HydrophobicContact CG2-CH2 3.6Å; T367-W403 HydrophobicContact CG2-CZ3 3.68Å; L368-W403 HydrophobicContact CD2-CE3 3.8Å; L368-W403 HydrophobicContact CD2-CZ3 4.37Å; I371-W403 HydrophobicContact CD1-CD2 3.6Å; I371-W403 HydrophobicContact CD1-CE3 3.44Å; I371-W403 VanDerWaalsContact CD1-CE3 3.44Å; I371-W403 HydrophobicContact CD1-CG 4.18Å; I371-W403 HydrophobicContact CD1-CH2 3.89Å; I371-W403 HydrophobicContact CD1-CZ2 4.15Å; I371-W403 HydrophobicContact CD1-CZ3 3.59Å; F397-W403 HydrophobicContact CE2-CB 3.84Å; F397-W403 HydrophobicContact CZ-CB 4.28Å; F400-W403 VanDerWaalsContact O-CD1 3.28Å; F400-W403 PolarHBondContact O-N 3.49Å; F400-W403 VanDerWaalsContact O-N 3.08Å; G401-W403 PolarHBondContact O-N 3.37Å; G401-W403 VanDerWaalsContact O-N 3.11Å; W403-M406 HydrophobicContact CE3-SD 4.22Å; W403-M406 HydrophobicContact CZ3-SD 4.25Å; W403-M406 PolarHBondContact O-N 3.41Å; W403-V407 VanDerWaalsContact O-CG2 3.27Å; W403-V407 WeakPolarHBondContact O-CG2 3.29Å; W403-V407 PolarHBondContact O-N 2.98Å
404A90.1Very high88Confident10 Ų1035 Ų358%0.08319%0.19CC..Hα-helixtrans-67.6-37.6175.200000111.5F397 G401 V407 A408 Y429F397-A404 HydrophobicContact CE1-CB 4.37Å; F397-A404 HydrophobicContact CZ-CB 4.38Å; G401-A404 WeakPolarHBondContact O-CA 3.5Å; G401-A404 WeakPolarHBondContact O-CB 3.49Å; G401-A404 PolarHBondContact O-N 2.97Å; A404-V407 WeakPolarHBondContact O-CB 3.24Å; A404-V407 PolarHBondContact O-N 3.16Å; A404-A408 PolarHBondContact O-N 3.44Å; A404-Y429 HydrophobicContact CB-CD1 4.29Å; A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE1 4.36Å; A404-Y429 HydrophobicContact CB-CE2 3.69Å; A404-Y429 HydrophobicContact CB-CG 3.91Å
405E88.3Confident86.6Confident119 Ų11940 Ų4056%0.55623%0.234SC*.Hα-helixtrans-61.8-44.9172.3-65.8-177.9171.400111.5G401 V407 A408 E409G401-E405 PolarHBondContact O-N 3.32Å; E405-V407 VanDerWaalsContact C-N 3.33Å; E405-V407 PolarHBondContact O-N 3.22Å; E405-A408 WeakPolarHBondContact O-CB 3.35Å; E405-A408 PolarHBondContact O-N 2.87Å; E405-A408 VanDerWaalsContact O-N 3.16Å; E405-E409 PolarHBondContact O-N 3.02Å
406M89.9Confident85.7Confident6 Ų643.1 Ų43.13%0.0326%0.261CS..Hα-helixtrans-62.5-38.5175.7-172.7-171-79.100112.2P356 W364 L368 G402 W403 E409 Q410P356-M406 HydrophobicContact CB-CE 3.39Å; P356-M406 WeakPolarHBondContact O-CE 3.45Å; W364-M406 HydrophobicContact CB-SD 3.98Å; W364-M406 HydrophobicContact CD2-CE 3.89Å; W364-M406 HydrophobicContact CD2-CG 4.02Å; W364-M406 HydrophobicContact CD2-SD 3.82Å; W364-M406 HydrophobicContact CE3-CE 4.39Å; W364-M406 HydrophobicContact CE3-CG 3.69Å; W364-M406 HydrophobicContact CE3-SD 4.12Å; W364-M406 HydrophobicContact CG-CE 4.11Å; W364-M406 HydrophobicContact CG-CG 4.46Å; W364-M406 HydrophobicContact CG-SD 3.73Å; W364-M406 HydrophobicContact CZ2-CE 4.22Å; W364-M406 HydrophobicContact CZ3-CG 4.14Å; L368-M406 HydrophobicContact CD1-CG 4.09Å; L368-M406 HydrophobicContact CD1-SD 4.14Å; L368-M406 HydrophobicContact CD2-SD 4.19Å; L368-M406 HydrophobicContact CG-SD 4.19Å; G402-M406 WeakPolarHBondContact O-CB 3.43Å; G402-M406 PolarHBondContact O-N 2.97Å; W403-M406 HydrophobicContact CE3-SD 4.22Å; W403-M406 HydrophobicContact CZ3-SD 4.25Å; W403-M406 PolarHBondContact O-N 3.41Å; M406-E409 PolarHBondContact O-N 3.39Å; M406-Q410 WeakPolarHBondContact O-CB 3.2Å; M406-Q410 WeakPolarHBondContact O-CG 3.4Å; M406-Q410 PolarHBondContact O-N 3.42Å
407V90.6Very high85Confident0 Ų050.9 Ų50.90%030%0.298CS..Hα-helixtrans-59-48.1172.8169.40000110.3L368 W403 A404 E405 Q410 L411 L422 L425 L426L368-V407 HydrophobicContact CD1-CG2 4.01Å; L368-V407 HydrophobicContact CD2-CG2 3.67Å; L368-V407 HydrophobicContact CG-CG2 4.33Å; W403-V407 VanDerWaalsContact O-CG2 3.27Å; W403-V407 WeakPolarHBondContact O-CG2 3.29Å; W403-V407 PolarHBondContact O-N 2.98Å; A404-V407 WeakPolarHBondContact O-CB 3.24Å; A404-V407 PolarHBondContact O-N 3.16Å; E405-V407 VanDerWaalsContact C-N 3.33Å; E405-V407 PolarHBondContact O-N 3.22Å; V407-Q410 PolarHBondContact O-N 3.21Å; V407-L411 HydrophobicContact CG1-CD1 3.84Å; V407-L411 HydrophobicContact CG1-CG 4.46Å; V407-L411 WeakPolarHBondContact O-CB 3.39Å; V407-L411 VanDerWaalsContact O-CG 3.3Å; V407-L411 WeakPolarHBondContact O-CG 3.48Å; V407-L411 PolarHBondContact O-N 3.03Å; V407-L422 HydrophobicContact CG1-CB 4.12Å; V407-L422 WeakPolarHBondContact CG1-O 3.36Å; V407-L422 HydrophobicContact CG2-CD2 4.28Å; V407-L425 HydrophobicContact CG1-CB 4.44Å; V407-L425 HydrophobicContact CG2-CB 4.13Å; V407-L425 HydrophobicContact CG2-CD1 3.79Å; V407-L426 HydrophobicContact CG1-CB 4.22Å; V407-L426 HydrophobicContact CG1-CD1 4.39Å
408A87.8Confident84.5Confident33 Ų3351.6 Ų51.627%0.27330%0.302SS..Hα-helixtrans-62.4-43.9178.700000111.7A404 E405 Q410 L411 L412A404-A408 PolarHBondContact O-N 3.44Å; E405-A408 WeakPolarHBondContact O-CB 3.35Å; E405-A408 PolarHBondContact O-N 2.87Å; E405-A408 VanDerWaalsContact O-N 3.16Å; A408-Q410 PolarHBondContact O-N 2.95Å; A408-L411 PolarHBondContact O-N 3.32Å; A408-L412 WeakPolarHBondContact O-CB 3.46Å; A408-L412 VanDerWaalsContact O-CG 3.29Å; A408-L412 WeakPolarHBondContact O-CG 3.31Å; A408-L412 PolarHBondContact O-N 3.07Å
409E87.6Confident84.2Confident75 Ų7553.1 Ų53.135%0.3531%0.312SS..Hα-helixtrans-60.2-46.5176.2-172.3-178.3167.300111.5E405 M406 L411 L412 M413E405-E409 PolarHBondContact O-N 3.02Å; M406-E409 PolarHBondContact O-N 3.39Å; E409-L411 VanDerWaalsContact C-N 3.34Å; E409-L411 PolarHBondContact O-N 2.98Å; E409-L412 PolarHBondContact O-N 3.47Å; E409-M413 HydrophobicContact CG-CG 4.32Å; E409-M413 WeakPolarHBondContact O-CB 3.29Å; E409-M413 WeakPolarHBondContact O-CG 3.3Å; E409-M413 PolarHBondContact O-N 3Å
410Q86.4Confident84.1Confident49 Ų4957.3 Ų57.323%0.22934%0.338CS..Hα-helixtrans-63.6-39178.5-75.3-63.3-67.100112.6W364 L368 M406 V407 A408 M413 S414 L422W364-Q410 HydrophobicContact CE3-CG 3.94Å; L368-Q410 HydrophobicContact CD1-CG 4.11Å; M406-Q410 WeakPolarHBondContact O-CB 3.2Å; M406-Q410 WeakPolarHBondContact O-CG 3.4Å; M406-Q410 PolarHBondContact O-N 3.42Å; V407-Q410 PolarHBondContact O-N 3.21Å; A408-Q410 PolarHBondContact O-N 2.95Å; Q410-M413 PolarHBondContact O-N 3.29Å; Q410-S414 WeakPolarHBondContact O-CB 3.47Å; Q410-S414 PolarHBondContact O-N 3.25Å; Q410-S414 VanDerWaalsContact O-N 3.1Å; Q410-L422 HydrophobicContact CB-CD1 3.96Å
411L86.5Confident84Confident21 Ų2157.2 Ų57.211%0.1134%0.341CS..Hα-helixtrans-67.4-37.7176.3-72.8171.1000112.2V407 A408 E409 P418 L422 L423 L426V407-L411 HydrophobicContact CG1-CD1 3.84Å; V407-L411 HydrophobicContact CG1-CG 4.46Å; V407-L411 WeakPolarHBondContact O-CB 3.39Å; V407-L411 VanDerWaalsContact O-CG 3.3Å; V407-L411 WeakPolarHBondContact O-CG 3.48Å; V407-L411 PolarHBondContact O-N 3.03Å; A408-L411 PolarHBondContact O-N 3.32Å; E409-L411 VanDerWaalsContact C-N 3.34Å; E409-L411 PolarHBondContact O-N 2.98Å; L411-P418 HydrophobicContact CD2-CB 3.38Å; L411-L422 HydrophobicContact CD1-CB 4.29Å; L411-L422 HydrophobicContact CD2-CB 3.84Å; L411-L422 HydrophobicContact CD2-CD1 4.23Å; L411-L422 HydrophobicContact CG-CB 4.08Å; L411-L422 HydrophobicContact CG-CD1 4.32Å; L411-L423 HydrophobicContact CD1-CD2 4.46Å; L411-L423 HydrophobicContact CD2-CD2 4.23Å; L411-L423 HydrophobicContact CD2-CG 4.48Å; L411-L426 HydrophobicContact CD1-CB 4.49Å; L411-L426 HydrophobicContact CD1-CD2 3.98Å
412L83.3Confident84.2Confident147 Ų14757.2 Ų57.277%0.7734%0.34SS*.Hα-helixtrans-71.3-32.4177.2-72.1171.2000113A408 E409A408-L412 WeakPolarHBondContact O-CB 3.46Å; A408-L412 VanDerWaalsContact O-CG 3.29Å; A408-L412 WeakPolarHBondContact O-CG 3.31Å; A408-L412 PolarHBondContact O-N 3.07Å; E409-L412 PolarHBondContact O-N 3.47Å
413M79Confident84.2Confident143 Ų14356.2 Ų56.270%0.70433%0.328SS*.Hα-helixtrans-88.3-11-178.2-64.4-66.3-75.500113.3E409 Q410 A415E409-M413 HydrophobicContact CG-CG 4.32Å; E409-M413 WeakPolarHBondContact O-CB 3.29Å; E409-M413 WeakPolarHBondContact O-CG 3.3Å; E409-M413 PolarHBondContact O-N 3Å; Q410-M413 PolarHBondContact O-N 3.29Å; M413-A415 PolarHBondContact O-N 2.92Å
414S70.8Confident84.2Confident47 Ų4756.3 Ų56.333%0.32933%0.328SS..  trans-76.9116.6179.8-178.30000111.5Q410 A416Q410-S414 WeakPolarHBondContact O-CB 3.47Å; Q410-S414 PolarHBondContact O-N 3.25Å; Q410-S414 VanDerWaalsContact O-N 3.1Å; S414-A416 VanDerWaalsContact C-N 3.26Å; S414-A416 PolarHBondContact OG-N 3.18Å; S414-A416 PolarHBondContact OG-O 3.29Å
415A61.6Low84.3Confident117 Ų11755.9 Ų55.997%0.96733%0.325SS*.SBendtrans-79.3-9.6169.700000113.3M413M413-A415 PolarHBondContact O-N 2.92Å
416A71.8Confident84.4Confident72 Ų7251.2 Ų51.260%0.59530%0.303SS*.SBendtrans-103.8168.7-18000000111.2S414S414-A416 VanDerWaalsContact C-N 3.26Å; S414-A416 PolarHBondContact OG-N 3.18Å; S414-A416 PolarHBondContact OG-O 3.29Å
417E76Confident84.4Confident169 Ų16951 Ų5179%0.7930%0.302SS*.PPolyproline II helixtrans-50.8126.8176.2-168178178.700110.8
418P81.1Confident84.3Confident15 Ų1551 Ų5110%0.09730%0.302CS..PPolyproline II helixtrans-63.3129.8-173.422.1-32.6000111.2L411 T420 L423 V447L411-P418 HydrophobicContact CD2-CB 3.38Å; P418-T420 PolarHBondContact O-N 3.46Å; P418-L423 HydrophobicContact CB-CD1 4.15Å; P418-L423 HydrophobicContact CB-CD2 4.07Å; P418-L423 HydrophobicContact CB-CG 4.09Å; P418-L423 HydrophobicContact CG-CD1 4.02Å; P418-L423 HydrophobicContact CG-CD2 4.21Å; P418-L423 HydrophobicContact CG-CG 4.38Å; P418-V447 HydrophobicContact CG-CG2 4.17Å
419P86.6Confident84.4Confident32 Ų3250.4 Ų50.421%0.20829%0.293CS..PPolyproline II helixtrans-58.8132-179.1-22.730.8000112.1L365 A421 L422 L423L365-P419 HydrophobicContact CD1-CB 4.27Å; L365-P419 HydrophobicContact CD1-CG 3.79Å; P419-A421 PolarHBondContact O-N 3.37Å; P419-L422 HydrophobicContact CB-CD1 4.49Å; P419-L422 HydrophobicContact CB-CG 4.15Å; P419-L422 HydrophobicContact CG-CD1 4.11Å; P419-L422 HydrophobicContact CG-CG 4.31Å; P419-L422 PolarHBondContact O-N 3.16Å; P419-L423 PolarHBondContact O-N 2.81Å
420T88.6Confident84.3Confident93 Ų9353.3 Ų53.357%0.57130%0.302SS*.Hα-helixtrans-52.7-34.5-179.7-46.10000113.3P418 W424 M443P418-T420 PolarHBondContact O-N 3.46Å; T420-W424 WeakPolarHBondContact O-CB 3.37Å; T420-W424 PolarHBondContact O-N 2.9Å; T420-M443 HydrophobicContact CG2-CE 3.51Å; T420-M443 VanDerWaalsContact O-CE 3.31Å; T420-M443 WeakPolarHBondContact O-CE 3.31Å
421A90.4Very high84.1Confident19 Ų1951.4 Ų51.416%0.15730%0.295CS..Hα-helixtrans-63.9-41.8177.200000112.7K369 S372 P419 W424 L425K369-A421 HydrophobicContact CG-CB 3.9Å; S372-A421 PolarHBondContact OG-O 3.5Å; P419-A421 PolarHBondContact O-N 3.37Å; A421-W424 PolarHBondContact O-N 2.84Å; A421-L425 PolarHBondContact O-N 3.25Å
422L91Very high83.6Confident3 Ų351.6 Ų51.62%0.01630%0.298CS..Hα-helixtrans-70.1-42.5179.6-63.1-167.3000111.4L365 L368 V407 Q410 L411 P419 W424 L425 L426L365-L422 HydrophobicContact CD1-CD1 3.93Å; L365-L422 HydrophobicContact CD1-CD2 4.41Å; L365-L422 HydrophobicContact CD1-CG 4.19Å; L368-L422 HydrophobicContact CB-CD2 3.43Å; L368-L422 VanDerWaalsContact CB-CD2 3.43Å; L368-L422 HydrophobicContact CD1-CD2 3.66Å; L368-L422 HydrophobicContact CG-CD2 4.16Å; V407-L422 HydrophobicContact CG1-CB 4.12Å; V407-L422 WeakPolarHBondContact CG1-O 3.36Å; V407-L422 HydrophobicContact CG2-CD2 4.28Å; Q410-L422 HydrophobicContact CB-CD1 3.96Å; L411-L422 HydrophobicContact CD1-CB 4.29Å; L411-L422 HydrophobicContact CD2-CB 3.84Å; L411-L422 HydrophobicContact CD2-CD1 4.23Å; L411-L422 HydrophobicContact CG-CB 4.08Å; L411-L422 HydrophobicContact CG-CD1 4.32Å; P419-L422 HydrophobicContact CB-CD1 4.49Å; P419-L422 HydrophobicContact CB-CG 4.15Å; P419-L422 HydrophobicContact CG-CD1 4.11Å; P419-L422 HydrophobicContact CG-CG 4.31Å; P419-L422 PolarHBondContact O-N 3.16Å; L422-W424 VanDerWaalsContact C-N 3.28Å; L422-W424 PolarHBondContact O-N 3.4Å; L422-L425 PolarHBondContact O-N 3.3Å; L422-L426 PolarHBondContact O-N 2.92Å
423L89.8Confident83.2Confident8 Ų852.6 Ų52.64%0.04229%0.291CS..Hα-helixtrans-61.1-39.6174.2-66.4168.9000111.8L411 P418 P419 L426 A427 M443 V447L411-L423 HydrophobicContact CD1-CD2 4.46Å; L411-L423 HydrophobicContact CD2-CD2 4.23Å; L411-L423 HydrophobicContact CD2-CG 4.48Å; P418-L423 HydrophobicContact CB-CD1 4.15Å; P418-L423 HydrophobicContact CB-CD2 4.07Å; P418-L423 HydrophobicContact CB-CG 4.09Å; P418-L423 HydrophobicContact CG-CD1 4.02Å; P418-L423 HydrophobicContact CG-CD2 4.21Å; P418-L423 HydrophobicContact CG-CG 4.38Å; P419-L423 PolarHBondContact O-N 2.81Å; L423-L426 PolarHBondContact O-N 2.9Å; L423-A427 VanDerWaalsContact O-CB 3.28Å; L423-A427 WeakPolarHBondContact O-CB 3.34Å; L423-A427 PolarHBondContact O-N 3.39Å; L423-M443 HydrophobicContact CB-CB 4.32Å; L423-M443 HydrophobicContact CB-CE 3.98Å; L423-M443 HydrophobicContact CB-CG 4.13Å; L423-V447 HydrophobicContact CD1-CG2 3.33Å; L423-V447 HydrophobicContact CD2-CG2 4.25Å; L423-V447 HydrophobicContact CG-CG2 4.42Å
424W91.9Very high83.2Confident5 Ų547.7 Ų47.72%0.01927%0.268CS..Hα-helixtrans-64.1-43.5176.4-174.9101.2000111.2L375 R376 E380 T420 A421 L422 A427 F428 M443L375-W424 HydrophobicContact CB-CH2 3.83Å; L375-W424 HydrophobicContact CB-CZ3 3.74Å; R376-W424 HydrophobicContact CB-CH2 4.12Å; R376-W424 HydrophobicContact CB-CZ2 3.89Å; R376-W424 HydrophobicContact CG-CZ2 3.97Å; R376-W424 VanDerWaalsContact NH2-CG 3.29Å; E380-W424 PolarHBondContact OE1-NE1 3.33Å; T420-W424 WeakPolarHBondContact O-CB 3.37Å; T420-W424 PolarHBondContact O-N 2.9Å; A421-W424 PolarHBondContact O-N 2.84Å; L422-W424 VanDerWaalsContact C-N 3.28Å; L422-W424 PolarHBondContact O-N 3.4Å; W424-A427 PolarHBondContact O-N 3.38Å; W424-F428 HydrophobicContact CE3-CB 4.16Å; W424-F428 HydrophobicContact CH2-CB 4.24Å; W424-F428 HydrophobicContact CH2-CD1 4.27Å; W424-F428 HydrophobicContact CH2-CD2 4.23Å; W424-F428 AromaticContact CH2-CG 3.99Å; W424-F428 HydrophobicContact CH2-CG 3.99Å; W424-F428 HydrophobicContact CZ3-CB 3.96Å; W424-F428 HydrophobicContact CZ3-CD1 4.14Å; W424-F428 HydrophobicContact CZ3-CG 4.02Å; W424-F428 VanDerWaalsContact O-CB 3.26Å; W424-F428 WeakPolarHBondContact O-CB 3.32Å; W424-F428 PolarHBondContact O-N 2.92Å; W424-M443 HydrophobicContact CB-CE 3.9Å; W424-M443 HydrophobicContact CB-SD 3.88Å; W424-M443 HydrophobicContact CG-SD 4.3Å
425L92.1Very high83.5Confident1 Ų147.2 Ų47.21%0.00527%0.27CS..Hα-helixtrans-61-45.4176.5-77.9173.3000112.1L368 I371 L375 F397 V407 A421 L422 F428 Y429L368-L425 HydrophobicContact CB-CD1 4.43Å; L368-L425 WeakPolarHBondContact O-CD1 3.38Å; I371-L425 HydrophobicContact CG2-CD2 4.14Å; L375-L425 HydrophobicContact CD1-CD2 3.62Å; F397-L425 HydrophobicContact CE1-CD2 4.47Å; F397-L425 HydrophobicContact CZ-CD2 4.12Å; V407-L425 HydrophobicContact CG1-CB 4.44Å; V407-L425 HydrophobicContact CG2-CB 4.13Å; V407-L425 HydrophobicContact CG2-CD1 3.79Å; A421-L425 PolarHBondContact O-N 3.25Å; L422-L425 PolarHBondContact O-N 3.3Å; L425-F428 PolarHBondContact O-N 3.17Å; L425-Y429 WeakPolarHBondContact O-CB 3.43Å; L425-Y429 PolarHBondContact O-N 2.79Å
426L90.2Very high84.4Confident21 Ų2149.4 Ų49.411%0.1125%0.254CS..Hα-helixtrans-64.1-44.7178.4-163.171.9000111.3V407 L411 L422 L423 F428 Y429 Y430 Y446V407-L426 HydrophobicContact CG1-CB 4.22Å; V407-L426 HydrophobicContact CG1-CD1 4.39Å; L411-L426 HydrophobicContact CD1-CB 4.49Å; L411-L426 HydrophobicContact CD1-CD2 3.98Å; L422-L426 PolarHBondContact O-N 2.92Å; L423-L426 PolarHBondContact O-N 2.9Å; L426-F428 VanDerWaalsContact C-N 3.32Å; L426-F428 PolarHBondContact O-N 3.2Å; L426-Y429 PolarHBondContact O-N 2.75Å; L426-Y430 HydrophobicContact CD1-CD2 4.19Å; L426-Y430 HydrophobicContact CD1-CE2 3.65Å; L426-Y430 HydrophobicContact CG-CD2 4.09Å; L426-Y430 HydrophobicContact CG-CE2 4Å; L426-Y430 VanDerWaalsContact O-CD2 3.32Å; L426-Y430 WeakPolarHBondContact O-CD2 3.27Å; L426-Y430 PolarHBondContact O-N 3.26Å; L426-Y446 HydrophobicContact CD2-CD1 4.38Å; L426-Y446 HydrophobicContact CD2-CD2 4.41Å; L426-Y446 HydrophobicContact CD2-CE1 4.36Å; L426-Y446 HydrophobicContact CD2-CE2 4.36Å; L426-Y446 HydrophobicContact CD2-CG 4.43Å; L426-Y446 HydrophobicContact CG-CE2 4.5Å
427A89.3Confident84.7Confident0 Ų053.8 Ų53.80%026%0.262CS..Hα-helixtrans-63.9-37.1175.600000112.2L423 W424 G431 R439 T442 M443 Y446L423-A427 VanDerWaalsContact O-CB 3.28Å; L423-A427 WeakPolarHBondContact O-CB 3.34Å; L423-A427 PolarHBondContact O-N 3.39Å; W424-A427 PolarHBondContact O-N 3.38Å; A427-G431 VanDerWaalsContact O-CA 3.27Å; A427-G431 WeakPolarHBondContact O-CA 3.28Å; A427-G431 PolarHBondContact O-N 3.39Å; A427-R439 HydrophobicContact CB-CG 3.78Å; A427-T442 HydrophobicContact CB-CG2 4.08Å; A427-M443 HydrophobicContact CB-CG 3.79Å; A427-Y446 HydrophobicContact CB-CE2 4.17Å
428F89.7Confident85Confident0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-68-38.1175.4-178.4-115.7000112.3L375 V379 W394 F397 W424 L425 L426L375-F428 HydrophobicContact CD1-CD1 4.31Å; L375-F428 HydrophobicContact CD1-CE1 4.29Å; L375-F428 HydrophobicContact CD2-CE1 4.1Å; V379-F428 HydrophobicContact CG1-CE2 4.27Å; V379-F428 HydrophobicContact CG2-CE2 3.78Å; V379-F428 HydrophobicContact CG2-CZ 3.7Å; W394-F428 HydrophobicContact CB-CE1 3.98Å; W394-F428 HydrophobicContact CB-CE2 4.18Å; W394-F428 HydrophobicContact CB-CZ 3.57Å; F397-F428 HydrophobicContact CD1-CD1 4.29Å; W424-F428 HydrophobicContact CE3-CB 4.16Å; W424-F428 HydrophobicContact CH2-CB 4.24Å; W424-F428 HydrophobicContact CH2-CD1 4.27Å; W424-F428 HydrophobicContact CH2-CD2 4.23Å; W424-F428 AromaticContact CH2-CG 3.99Å; W424-F428 HydrophobicContact CH2-CG 3.99Å; W424-F428 HydrophobicContact CZ3-CB 3.96Å; W424-F428 HydrophobicContact CZ3-CD1 4.14Å; W424-F428 HydrophobicContact CZ3-CG 4.02Å; W424-F428 VanDerWaalsContact O-CB 3.26Å; W424-F428 WeakPolarHBondContact O-CB 3.32Å; W424-F428 PolarHBondContact O-N 2.92Å; L425-F428 PolarHBondContact O-N 3.17Å; L426-F428 VanDerWaalsContact C-N 3.32Å; L426-F428 PolarHBondContact O-N 3.2Å
429Y89.1Confident85.2Confident22 Ų2250.3 Ų50.39%0.08624%0.244CC..Hα-helixtrans-63.3-45.5178.3-174.6-97.5000112.5I312 Q316 W394 F397 I398 A404 L425 L426I312-Y429 WeakPolarHBondContact CG2-OH 3.26Å; Q316-Y429 PolarHBondContact NE2-OH 3.26Å; W394-Y429 PolarHBondContact NE1-O 2.94Å; F397-Y429 AromaticContact CD1-CD2 3.88Å; F397-Y429 HydrophobicContact CD1-CD2 3.88Å; F397-Y429 AromaticContact CE1-CD2 3.81Å; F397-Y429 HydrophobicContact CE1-CD2 3.81Å; F397-Y429 HydrophobicContact CE1-CG 4.39Å; I398-Y429 HydrophobicContact CG2-CD2 4.3Å; I398-Y429 HydrophobicContact CG2-CE2 4.01Å; A404-Y429 HydrophobicContact CB-CD1 4.29Å; A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE1 4.36Å; A404-Y429 HydrophobicContact CB-CE2 3.69Å; A404-Y429 HydrophobicContact CB-CG 3.91Å; L425-Y429 WeakPolarHBondContact O-CB 3.43Å; L425-Y429 PolarHBondContact O-N 2.79Å; L426-Y429 PolarHBondContact O-N 2.75Å
430Y85.5Confident85Confident135 Ų13551.4 Ų51.453%0.52926%0.256SS..Hα-helixtrans-90.9-15.1-179.1-66.5-68.3000114.6L426L426-Y430 HydrophobicContact CD1-CD2 4.19Å; L426-Y430 HydrophobicContact CD1-CE2 3.65Å; L426-Y430 HydrophobicContact CG-CD2 4.09Å; L426-Y430 HydrophobicContact CG-CE2 4Å; L426-Y430 VanDerWaalsContact O-CD2 3.32Å; L426-Y430 WeakPolarHBondContact O-CD2 3.27Å; L426-Y430 PolarHBondContact O-N 3.26Å
431G82.9Confident84.7Confident9 Ų953.4 Ų53.49%0.09326%0.259CS..  trans-135.365.7-17700000112.2A427 R433 D434A427-G431 VanDerWaalsContact O-CA 3.27Å; A427-G431 WeakPolarHBondContact O-CA 3.28Å; A427-G431 PolarHBondContact O-N 3.39Å; G431-R433 VanDerWaalsContact C-N 3.33Å; G431-R433 PolarHBondContact O-N 3.27Å; G431-D434 WeakPolarHBondContact O-CB 3.36Å; G431-D434 PolarHBondContact O-N 3.29Å
432P76.1Confident84.3Confident25 Ų2554.4 Ų54.416%0.16226%0.263CS..THydrogen-bonded Turntrans-68.1-30.6-173.425.7-35.7000114.5W394 D434W394-P432 HydrophobicContact CB-CB 3.85Å; W394-P432 HydrophobicContact CD2-CB 3.47Å; W394-P432 VanDerWaalsContact CD2-CB 3.47Å; W394-P432 HydrophobicContact CD2-CG 3.81Å; W394-P432 HydrophobicContact CE3-CB 4.12Å; W394-P432 HydrophobicContact CE3-CG 4.29Å; W394-P432 HydrophobicContact CG-CB 3.34Å; W394-P432 HydrophobicContact CG-CG 4.17Å; W394-P432 HydrophobicContact CH2-CG 4.31Å; W394-P432 HydrophobicContact CZ2-CB 4.44Å; W394-P432 HydrophobicContact CZ2-CG 3.87Å; P432-D434 VanDerWaalsContact C-N 3.32Å
433R73.2Confident84Confident168 Ų16855.2 Ų55.263%0.63427%0.267SS*.THydrogen-bonded Turntrans-84.8-8.7-179.9-64.3-177.7178.3155.42.9112.7D306 G431 G435D306-R433 IonicContact OD1-CZ 3.67Å; D306-R433 IonicContact OD1-NH1 2.9Å; D306-R433 PolarHBondContact OD1-NH1 2.95Å; D306-R433 IonicContact OD1-NH2 3.76Å; G431-R433 VanDerWaalsContact C-N 3.33Å; G431-R433 PolarHBondContact O-N 3.27Å; R433-G435 PolarHBondContact O-N 3.38Å
434D80.4Confident83.4Confident40 Ų4060.4 Ų60.421%0.21429%0.292CS..  trans-63.4125.7-177.7-71.9-1.8000110.1G431 P432 Q438 R439 T442G431-D434 WeakPolarHBondContact O-CB 3.36Å; G431-D434 PolarHBondContact O-N 3.29Å; P432-D434 VanDerWaalsContact C-N 3.32Å; D434-Q438 HydrophobicContact CB-CB 3.87Å; D434-R439 HydrophobicContact CB-CB 4.13Å; D434-R439 PolarHBondContact O-NH2 3.12Å; D434-T442 PolarHBondContact OD2-OG1 3.05Å
435G77.4Confident82.8Confident37 Ų3762.5 Ų62.538%0.38131%0.311SS..  trans-65.1167.2168.200000111.3R433 Q437 Q438 R439R433-G435 PolarHBondContact O-N 3.38Å; G435-Q437 PolarHBondContact O-N 3.35Å; G435-Q438 VanDerWaalsContact N-OE1 3.12Å; G435-Q438 PolarHBondContact O-N 3.48Å; G435-Q438 VanDerWaalsContact O-N 3.07Å; G435-R439 WeakPolarHBondContact O-CB 3.45Å; G435-R439 PolarHBondContact O-N 3.33Å
436R79.5Confident82.1Confident164 Ų16465.5 Ų65.562%0.61932%0.322SS*.Hα-helixtrans-49-40-179.5-171.2-176.4-115-168.43.4113.3E380 A440E380-R436 IonicContact OE2-CZ 3.29Å; E380-R436 VanDerWaalsContact OE2-CZ 3.29Å; E380-R436 IonicContact OE2-NE 2.9Å; E380-R436 PolarHBondContact OE2-NE 2.82Å; E380-R436 IonicContact OE2-NH2 2.75Å; E380-R436 PolarHBondContact OE2-NH2 2.89Å; R436-A440 WeakPolarHBondContact O-CB 3.46Å; R436-A440 PolarHBondContact O-N 3.36Å; R436-A440 VanDerWaalsContact O-N 3.12Å
437Q79.1Confident81.4Confident163 Ų16365.9 Ų65.976%0.76233%0.326SS*.Hα-helixtrans-71.8-44.8179.6-70.1-178.3-1600113.3G435 A440 Q441G435-Q437 PolarHBondContact O-N 3.35Å; Q437-A440 PolarHBondContact O-N 3.33Å; Q437-Q441 WeakPolarHBondContact O-CG 3.23Å; Q437-Q441 PolarHBondContact O-N 3.02Å
438Q81.4Confident80.4Confident104 Ų10470.7 Ų70.749%0.48635%0.349SS..Hα-helixtrans-63.4-44.2176.5-74.7166.9-3000110.5D434 G435 A440 Q441 T442D434-Q438 HydrophobicContact CB-CB 3.87Å; G435-Q438 VanDerWaalsContact N-OE1 3.12Å; G435-Q438 PolarHBondContact O-N 3.48Å; G435-Q438 VanDerWaalsContact O-N 3.07Å; Q438-A440 VanDerWaalsContact C-N 3.31Å; Q438-A440 PolarHBondContact O-N 2.9Å; Q438-Q441 WeakPolarHBondContact O-CA 3.35Å; Q438-Q441 WeakPolarHBondContact O-CB 3.21Å; Q438-Q441 PolarHBondContact O-N 3.1Å; Q438-T442 PolarHBondContact O-N 3.07Å; Q438-T442 PolarHBondContact O-OG1 2.9Å; Q438-T442 VanDerWaalsContact O-OG1 3.1Å
439R85.1Confident79.5Confident7 Ų773 Ų733%0.02637%0.368CS..Hα-helixtrans-60.2-40.3177.1-163.7178.4-61131.7-0.7112.3E380 A427 D434 G435 Q441 T442 M443E380-R439 IonicContact OE1-NH1 3.2Å; E380-R439 PolarHBondContact OE1-NH1 3.18Å; A427-R439 HydrophobicContact CB-CG 3.78Å; D434-R439 HydrophobicContact CB-CB 4.13Å; D434-R439 PolarHBondContact O-NH2 3.12Å; G435-R439 WeakPolarHBondContact O-CB 3.45Å; G435-R439 PolarHBondContact O-N 3.33Å; R439-Q441 VanDerWaalsContact C-N 3.3Å; R439-Q441 PolarHBondContact O-N 3.28Å; R439-T442 PolarHBondContact O-N 3.43Å; R439-M443 HydrophobicContact CG-SD 4.47Å; R439-M443 WeakPolarHBondContact O-CG 3.43Å; R439-M443 PolarHBondContact O-N 3.15Å
440A81.7Confident78.3Confident55 Ų5574.5 Ų74.546%0.45538%0.38SS..Hα-helixtrans-62.9-35.8174.800000112.6R436 Q437 Q438 M444R436-A440 WeakPolarHBondContact O-CB 3.46Å; R436-A440 PolarHBondContact O-N 3.36Å; R436-A440 VanDerWaalsContact O-N 3.12Å; Q437-A440 PolarHBondContact O-N 3.33Å; Q438-A440 VanDerWaalsContact C-N 3.31Å; Q438-A440 PolarHBondContact O-N 2.9Å; A440-M444 PolarHBondContact O-N 2.97Å; A440-M444 VanDerWaalsContact O-N 3.1Å
441Q82.4Confident77.1Confident136 Ų13671.3 Ų71.364%0.63638%0.376SS*.Hα-helixtrans-67.8-43.9174-65.9169.3-1.900111.3Q437 Q438 R439 M443 M444 A445Q437-Q441 WeakPolarHBondContact O-CG 3.23Å; Q437-Q441 PolarHBondContact O-N 3.02Å; Q438-Q441 WeakPolarHBondContact O-CA 3.35Å; Q438-Q441 WeakPolarHBondContact O-CB 3.21Å; Q438-Q441 PolarHBondContact O-N 3.1Å; R439-Q441 VanDerWaalsContact C-N 3.3Å; R439-Q441 PolarHBondContact O-N 3.28Å; Q441-M443 PolarHBondContact O-N 3.25Å; Q441-M444 WeakPolarHBondContact O-CB 3.46Å; Q441-M444 PolarHBondContact O-N 2.96Å; Q441-A445 PolarHBondContact O-N 3.37Å
442T82.8Confident75.9Confident39 Ų3979.8 Ų79.824%0.23941%0.406CS..Hα-helixtrans-60.1-43.9175.5-52.50000111.4A427 D434 Q438 R439 M444 A445 Y446A427-T442 HydrophobicContact CB-CG2 4.08Å; D434-T442 PolarHBondContact OD2-OG1 3.05Å; Q438-T442 PolarHBondContact O-N 3.07Å; Q438-T442 PolarHBondContact O-OG1 2.9Å; Q438-T442 VanDerWaalsContact O-OG1 3.1Å; R439-T442 PolarHBondContact O-N 3.43Å; T442-M444 PolarHBondContact O-N 2.81Å; T442-A445 WeakPolarHBondContact O-CB 3.45Å; T442-A445 PolarHBondContact O-N 2.95Å; T442-Y446 HydrophobicContact CG2-CD2 4.16Å; T442-Y446 HydrophobicContact CG2-CE2 3.54Å; T442-Y446 VanDerWaalsContact O-CD2 3.23Å; T442-Y446 WeakPolarHBondContact O-CD2 3.43Å; T442-Y446 PolarHBondContact O-N 3.44Å; T442-Y446 VanDerWaalsContact O-N 3.07Å
443M84.4Confident74.8Confident21 Ų2186 Ų8610%0.10343%0.432CS..Hα-helixtrans-59.3-44.6174.4-69.816864.500112.1T420 L423 W424 A427 R439 Q441 A445 Y446 V447T420-M443 HydrophobicContact CG2-CE 3.51Å; T420-M443 VanDerWaalsContact O-CE 3.31Å; T420-M443 WeakPolarHBondContact O-CE 3.31Å; L423-M443 HydrophobicContact CB-CB 4.32Å; L423-M443 HydrophobicContact CB-CE 3.98Å; L423-M443 HydrophobicContact CB-CG 4.13Å; W424-M443 HydrophobicContact CB-CE 3.9Å; W424-M443 HydrophobicContact CB-SD 3.88Å; W424-M443 HydrophobicContact CG-SD 4.3Å; A427-M443 HydrophobicContact CB-CG 3.79Å; R439-M443 HydrophobicContact CG-SD 4.47Å; R439-M443 WeakPolarHBondContact O-CG 3.43Å; R439-M443 PolarHBondContact O-N 3.15Å; Q441-M443 PolarHBondContact O-N 3.25Å; M443-A445 VanDerWaalsContact C-N 3.3Å; M443-A445 PolarHBondContact O-N 3.48Å; M443-Y446 PolarHBondContact O-N 3.25Å; M443-V447 WeakPolarHBondContact O-CG2 3.5Å; M443-V447 PolarHBondContact O-N 3.32Å
444M77.1Confident73.5Confident116 Ų11681 Ų8157%0.57143%0.433SS*.Hα-helixtrans-62.5-38.3176.5-171.667.982.200111.7A440 Q441 T442 Y446 V447 M448A440-M444 PolarHBondContact O-N 2.97Å; A440-M444 VanDerWaalsContact O-N 3.1Å; Q441-M444 WeakPolarHBondContact O-CB 3.46Å; Q441-M444 PolarHBondContact O-N 2.96Å; T442-M444 PolarHBondContact O-N 2.81Å; M444-Y446 VanDerWaalsContact C-N 3.34Å; M444-Y446 PolarHBondContact O-N 3.36Å; M444-V447 PolarHBondContact O-N 2.98Å; M444-M448 HydrophobicContact CG-CE 4.22Å; M444-M448 WeakPolarHBondContact O-CG 3.5Å; M444-M448 PolarHBondContact O-N 3.32Å
445A79.1Confident71.6Confident50 Ų5085.8 Ų85.841%0.41346%0.458SS..Hα-helixtrans-61.3-41.5174.900000112Q441 T442 M443 M448 A449Q441-A445 PolarHBondContact O-N 3.37Å; T442-A445 WeakPolarHBondContact O-CB 3.45Å; T442-A445 PolarHBondContact O-N 2.95Å; M443-A445 VanDerWaalsContact C-N 3.3Å; M443-A445 PolarHBondContact O-N 3.48Å; A445-M448 PolarHBondContact O-N 3.05Å; A445-A449 WeakPolarHBondContact O-CB 3.4Å; A445-A449 PolarHBondContact O-N 3.48Å
446Y77.2Confident69.6Low64 Ų6490.7 Ų90.725%0.25148%0.475SS..Hα-helixtrans-65.8-39.6175.1-69-52.5000113.2L426 A427 T442 M443 M444 A449 T450L426-Y446 HydrophobicContact CD2-CD1 4.38Å; L426-Y446 HydrophobicContact CD2-CD2 4.41Å; L426-Y446 HydrophobicContact CD2-CE1 4.36Å; L426-Y446 HydrophobicContact CD2-CE2 4.36Å; L426-Y446 HydrophobicContact CD2-CG 4.43Å; L426-Y446 HydrophobicContact CG-CE2 4.5Å; A427-Y446 HydrophobicContact CB-CE2 4.17Å; T442-Y446 HydrophobicContact CG2-CD2 4.16Å; T442-Y446 HydrophobicContact CG2-CE2 3.54Å; T442-Y446 VanDerWaalsContact O-CD2 3.23Å; T442-Y446 WeakPolarHBondContact O-CD2 3.43Å; T442-Y446 PolarHBondContact O-N 3.44Å; T442-Y446 VanDerWaalsContact O-N 3.07Å; M443-Y446 PolarHBondContact O-N 3.25Å; M444-Y446 VanDerWaalsContact C-N 3.34Å; M444-Y446 PolarHBondContact O-N 3.36Å; Y446-A449 PolarHBondContact O-N 3.43Å; Y446-T450 WeakPolarHBondContact O-CG2 3.48Å; Y446-T450 PolarHBondContact O-N 3.07Å; Y446-T450 PolarHBondContact O-OG1 3.19Å
447V75.5Confident67.3Low29 Ų2991.1 Ų91.118%0.17648%0.484CS..Hα-helixtrans-60.4-47.7173.7175.70000110.5P418 L423 M443 M444 A449 T450 C451P418-V447 HydrophobicContact CG-CG2 4.17Å; L423-V447 HydrophobicContact CD1-CG2 3.33Å; L423-V447 HydrophobicContact CD2-CG2 4.25Å; L423-V447 HydrophobicContact CG-CG2 4.42Å; M443-V447 WeakPolarHBondContact O-CG2 3.5Å; M443-V447 PolarHBondContact O-N 3.32Å; M444-V447 PolarHBondContact O-N 2.98Å; V447-A449 VanDerWaalsContact C-N 3.31Å; V447-A449 PolarHBondContact O-N 2.98Å; V447-T450 WeakPolarHBondContact CA-OG1 3.43Å; V447-T450 PolarHBondContact O-N 3.39Å; V447-T450 PolarHBondContact O-OG1 2.98Å; V447-C451 WeakPolarHBondContact O-CB 3.41Å; V447-C451 PolarHBondContact O-N 2.95Å; V447-C451 PolarHBondContact O-SG 3.21Å
448M69.7Low65Low100 Ų10089 Ų8949%0.49349%0.485SS..Hα-helixtrans-62.2-38178-71.2-171.7-69.700112.6M444 A445 R452M444-M448 HydrophobicContact CG-CE 4.22Å; M444-M448 WeakPolarHBondContact O-CG 3.5Å; M444-M448 PolarHBondContact O-N 3.32Å; A445-M448 PolarHBondContact O-N 3.05Å; M448-R452 VanDerWaalsContact O-CG 3.31Å; M448-R452 WeakPolarHBondContact O-CG 3.31Å; M448-R452 PolarHBondContact O-N 3.09Å; M448-R452 VanDerWaalsContact O-N 3.11Å
449A69.6Low62.5Low48 Ų4890.7 Ų90.740%0.39751%0.507SS..Hα-helixtrans-68.8-41178.300000112.8A445 Y446 V447 R452 H453A445-A449 WeakPolarHBondContact O-CB 3.4Å; A445-A449 PolarHBondContact O-N 3.48Å; Y446-A449 PolarHBondContact O-N 3.43Å; V447-A449 VanDerWaalsContact C-N 3.31Å; V447-A449 PolarHBondContact O-N 2.98Å; A449-R452 PolarHBondContact O-N 3.21Å; A449-H453 PolarHBondContact O-N 3.36Å
450T63.9Low60Low55 Ų5593.3 Ų93.334%0.33754%0.535SS..Hα-helixtrans-69.2-40.1177.444.80000111.9Y446 V447 R452 H453 G454Y446-T450 WeakPolarHBondContact O-CG2 3.48Å; Y446-T450 PolarHBondContact O-N 3.07Å; Y446-T450 PolarHBondContact O-OG1 3.19Å; V447-T450 WeakPolarHBondContact CA-OG1 3.43Å; V447-T450 PolarHBondContact O-N 3.39Å; V447-T450 PolarHBondContact O-OG1 2.98Å; T450-R452 PolarHBondContact O-N 3.1Å; T450-H453 PolarHBondContact O-N 3.45Å; T450-G454 PolarHBondContact O-N 3.22Å; T450-G454 VanDerWaalsContact O-N 3.15Å
451C61.7Low57.7Low67 Ų6799.7 Ų99.745%0.45356%0.556SS.*Hα-helixtrans-62.2-41.1172.9-67.30000112.4V447 H453 G454 D455V447-C451 WeakPolarHBondContact O-CB 3.41Å; V447-C451 PolarHBondContact O-N 2.95Å; V447-C451 PolarHBondContact O-SG 3.21Å; C451-H453 VanDerWaalsContact C-N 3.29Å; C451-H453 PolarHBondContact O-N 3.19Å; C451-G454 PolarHBondContact O-N 3.13Å; C451-G454 VanDerWaalsContact O-N 3.09Å; C451-D455 PolarHBondContact O-N 3.2Å
452R56.8Low55.1Low188 Ų188105.1 Ų105.171%0.70957%0.571SS**Hα-helixtrans-64.4-30.6176.2-77.1178.3-178.6-176.32.8113.6M448 A449 T450M448-R452 VanDerWaalsContact O-CG 3.31Å; M448-R452 WeakPolarHBondContact O-CG 3.31Å; M448-R452 PolarHBondContact O-N 3.09Å; M448-R452 VanDerWaalsContact O-N 3.11Å; A449-R452 PolarHBondContact O-N 3.21Å; T450-R452 PolarHBondContact O-N 3.1Å
453H51.8Low52.5Low155 Ų155114.5 Ų114.572%0.71860%0.602SS**Hα-helixtrans-74.1-28.8172.8-90.3-65.7000112.8A449 T450 C451A449-H453 PolarHBondContact O-N 3.36Å; T450-H453 PolarHBondContact O-N 3.45Å; C451-H453 VanDerWaalsContact C-N 3.29Å; C451-H453 PolarHBondContact O-N 3.19Å
454G47.8Very low50Low64 Ų64118.7 Ų118.766%0.6663%0.633SS**Hα-helixtrans-71.7-23.9173.100000114.6T450 C451T450-G454 PolarHBondContact O-N 3.22Å; T450-G454 VanDerWaalsContact O-N 3.15Å; C451-G454 PolarHBondContact O-N 3.13Å; C451-G454 VanDerWaalsContact O-N 3.09Å
455D39.2Very low47.7Very low139 Ų139118.5 Ų118.574%0.74364%0.64SS**THydrogen-bonded Turntrans-86.3-3.3-177.6-75.5-28.1000114.8C451 Q457C451-D455 PolarHBondContact O-N 3.2Å; D455-Q457 VanDerWaalsContact C-N 3.33Å; D455-Q457 PolarHBondContact O-N 3.11Å; D455-Q457 VanDerWaalsContact O-N 3.13Å
456L35.8Very low45.5Very low141 Ų141122 Ų12274%0.73866%0.656SS**  trans-8675.1171.1-83.3161.7000110.7
457Q31.3Very low43.5Very low172 Ų172124.4 Ų124.480%0.80468%0.68SS**  trans-61.1143.1159-109-173.3-2300110.1D455 C459D455-Q457 VanDerWaalsContact C-N 3.33Å; D455-Q457 PolarHBondContact O-N 3.11Å; D455-Q457 VanDerWaalsContact O-N 3.13Å; Q457-C459 PolarHBondContact O-N 2.77Å; Q457-C459 VanDerWaalsContact O-N 3.1Å
458P31.5Very low41.3Very low119 Ų119129 Ų12977%0.77371%0.708SS**  trans-67.7112.4178.927.7-31.2000109.1G460P458-G460 PolarHBondContact O-N 3.1Å
459C27.3Very low39.3Very low140 Ų140132.7 Ų132.795%0.94672%0.724SS**  trans-72.575.5168.2-163.30000108.9Q457Q457-C459 PolarHBondContact O-N 2.77Å; Q457-C459 VanDerWaalsContact O-N 3.1Å
460G34.5Very low37.5Very low61 Ų61137 Ų13763%0.62975%0.745SS**  trans-135.656.3-179.600000110P458P458-G460 PolarHBondContact O-N 3.1Å
461Q32.2Very low35.8Very low190 Ų190138.3 Ų138.389%0.88876%0.762SS**  trans-158.579.7155.7-105.4175.322.100108.5R463Q461-R463 PolarHBondContact O-N 3.16Å; Q461-R463 VanDerWaalsContact O-N 3.16Å
462R27.2Very low34.3Very low249 Ų249146.8 Ų146.894%0.9478%0.784SS**  trans-68.2108.1160.4-93.7-172.4-170.6-165.33107.5S464R462-S464 PolarHBondContact O-N 3.36Å
463R28.7Very low32.9Very low237 Ų237145 Ų14589%0.89479%0.789SS**  trans-53.7127.6150.4-79.7-178.8174.9177.6-0.6107.5Q461 P465Q461-R463 PolarHBondContact O-N 3.16Å; Q461-R463 VanDerWaalsContact O-N 3.16Å; R463-P465 WeakPolarHBondContact O-CD 3.4Å
464S31.4Very low31.8Very low108 Ų108145.5 Ų145.576%0.75579%0.791SS**  trans-55.3139.3170.5-172.70000110.1R462R462-S464 PolarHBondContact O-N 3.36Å
465P28.9Very low30.9Very low112 Ų112149.5 Ų149.573%0.72780%0.803SS**  trans-122.6133.1132.930-17.6000109.9R463R463-P465 WeakPolarHBondContact O-CD 3.4Å
466V34.6Very low30.3Very low124 Ų124150.5 Ų150.575%0.75281%0.808SS**  trans-48.2141.6162.7175.10000109.8
467P34Very low30.5Very low114 Ų114149.4 Ų149.474%0.7481%0.809SS**  -135.6129.8122.420.3-0.3000113.2
468T28.8Very low30.3Very low125 Ų125144.7 Ų144.777%0.76780%0.799SS**  trans22.4130.5133.8-27.10000119.8
469E28.8Very low30.1Very low179 Ų179148.2 Ų148.284%0.83681%0.805SS**  trans-44.5150.9169.9-62.4173.2130.100115.5
470V30.4Very low30Very low139 Ų139146.9 Ų146.984%0.84280%0.797SS**  -179128.1114160.20000111.1
471A29.3Very low30.3Very low82 Ų82149.9 Ų149.968%0.67881%0.806SS**  trans47.7112.8151.900000120.9
472R29.6Very low30Very low244 Ų244145 Ų14592%0.92180%0.798SS**  57114.492.7-71.4-172.1-176.9178.71114.6
473D27.5Very low30Very low152 Ų152142.3 Ų142.381%0.81379%0.793SS**  -167.4156.594.8-142-9.8000112.8
474E29.2Very low29.8Very low165 Ų165142.6 Ų142.677%0.77179%0.794SS**  trans-77.9148.2-171.8-63.3170.8159.500113.2
475T28.5Very low29.6Very low147 Ų147147.5 Ų147.590%0.90280%0.796SS**  176110.6122.526.20000112.3
476L27.3Very low29.6Very low161 Ų161148 Ų14884%0.84380%0.799SS**  trans-94.1166.3149-93166.8000106.6
477P39.4Very low29.1Very low118 Ų118149.2 Ų149.277%0.76680%0.795SS**  cis-15016042.442.4-20.4000117.7
478A27.3Very low28.6Very low72 Ų72152.1 Ų152.160%0.59580%0.796SS**  97.5110.8114.200000116.4
479H26.4Very low29.1Very low193 Ų193151.6 Ų151.689%0.89480%0.795SS**  -168.4119.9110.9-96.5-66.2000110.3
480S26.4Very low29.2Very low112 Ų112151.9 Ų151.978%0.78379%0.793SS**  trans-109.7179161.5-72.10000106.9
481P39.9Very low28.9Very low125 Ų125151.3 Ų151.381%0.81279%0.79SS**  cis-146175.314.539.6-18.8000116.6
482A25.4Very low29.2Very low88 Ų88158.5 Ų158.573%0.72781%0.814SS**  trans146.8141137.100000110.4
483K27.2Very low29.2Very low192 Ų192154.3 Ų154.384%0.83581%0.809SS**  cis-164126.9-5.2-110.8171.3-177.3175.50106.9
484R24.8Very low29.2Very low243 Ų243154.4 Ų154.492%0.91781%0.809SS**  trans40.6122.8138.3-63.2-176-178.9-177.90.2121.4
485R28.7Very low29.2Very low211 Ų211153.8 Ų153.880%0.79681%0.811SS**  trans-62.3170.4150.5-54.4178.3173.4-179.5-4.3111.7
486P28.4Very low29.3Very low123 Ų123154.2 Ų154.280%0.79981%0.806SS**  -140.7148.377.924.2-1000113.5
487F23.1Very low29.4Very low148 Ų148153.8 Ų153.865%0.64980%0.803SS**  67.2101.978.9-103.5-94.3000117.6
488F24.8Very low28.8Very low175 Ų175156.1 Ų156.177%0.76881%0.806SS**  trans55.5168.4143.1-77.5-91.8000121.6
489P38.9Very low28.9Very low115 Ų115162.1 Ų162.175%0.74782%0.821SS**  cis-138.9178.512.835.1-11.6000118.9
490K30.7Very low29Very low185 Ų185159.8 Ų159.880%0.80482%0.815SS**  trans-43.8158.9155.6-79.3175167.3178.20112.7
491V24.7Very low29.3Very low126 Ų126163.8 Ų163.876%0.76482%0.818SS**  172136.4128.41520000110.8
492I34.6Very low28.3Very low234 Ų234167.3 Ų167.3100%1.282%0.819SS**  trans42.30151.1-58.7166.6000118.9

Retrieved 492 of 492 residues in 344.3 ms (Link to these results)

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