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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 Q00597, Species HUMAN (Homo sapiens, Human), Gene FANCC, Length 558 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.4Very low61.7Low201 Ų20188.9 Ų88.999%0.9951%0.508SS*.  0-65.10-70.7-154.1157.400113.3D4 S5M1-D4 PolarHBondContact N-OD2 2.98Å; M1-S5 WeakPolarHBondContact O-CB 3.39Å; M1-S5 PolarHBondContact O-N 2.93Å
2A43.7Very low64Low78 Ų7881.8 Ų81.865%0.64547%0.466SS*.Hα-helixtrans-69.3-38.9-179.900000113.6S5 V6A2-S5 WeakPolarHBondContact O-CB 3.42Å; A2-S5 PolarHBondContact O-N 3.34Å; A2-S5 PolarHBondContact O-OG 3.03Å; A2-V6 PolarHBondContact O-N 3.28Å
3Q40.5Very low65.9Low173 Ų17383.3 Ų83.381%0.80847%0.467SS*.Hα-helixtrans-67-46.7176.5-98.6166.8-28.300112.9S5 V6 D7Q3-S5 PolarHBondContact O-N 2.64Å; Q3-S5 VanDerWaalsContact O-N 3.1Å; Q3-V6 PolarHBondContact O-N 2.99Å; Q3-D7 PolarHBondContact O-N 3.26Å
4D50.8Low67.7Low113 Ų11383.8 Ų83.860%0.60446%0.462SS*.Hα-helixtrans-59.6-25.2174.2-43.2-53.4000111.9M1M1-D4 PolarHBondContact N-OD2 2.98Å
5S52.8Low69.4Low37 Ų3778.9 Ų78.926%0.25943%0.434SS..Hα-helixtrans-74.3-33.6-178.285.40000113.9M1 A2 Q3 R63M1-S5 WeakPolarHBondContact O-CB 3.39Å; M1-S5 PolarHBondContact O-N 2.93Å; A2-S5 WeakPolarHBondContact O-CB 3.42Å; A2-S5 PolarHBondContact O-N 3.34Å; A2-S5 PolarHBondContact O-OG 3.03Å; Q3-S5 PolarHBondContact O-N 2.64Å; Q3-S5 VanDerWaalsContact O-N 3.1Å; S5-R63 PolarHBondContact O-NH2 2.7Å
6V56.8Low70.8Confident94 Ų9475.1 Ų75.157%0.5741%0.412SS*.Hα-helixtrans-76.9-39.8-179.5179.40000110.2A2 Q3 L8 S9 C10A2-V6 PolarHBondContact O-N 3.28Å; Q3-V6 PolarHBondContact O-N 2.99Å; V6-L8 PolarHBondContact O-N 3.2Å; V6-S9 PolarHBondContact O-N 3.34Å; V6-C10 PolarHBondContact O-N 3.37Å
7D69.2Low71.9Confident93 Ų9378.3 Ų78.350%0.49742%0.424SS..Hα-helixtrans-61.4-45.2-178.5-154.827.1000111.4Q3 S9 C10 D11Q3-D7 PolarHBondContact O-N 3.26Å; D7-S9 VanDerWaalsContact C-N 3.27Å; D7-S9 PolarHBondContact O-N 3.32Å; D7-C10 PolarHBondContact O-N 3.48Å; D7-D11 PolarHBondContact O-N 3.3Å; D7-D11 VanDerWaalsContact O-N 3.07Å
8L81.6Confident72.9Confident12 Ų1276.1 Ų76.16%0.06341%0.409CS..Hα-helixtrans-64.5-28.4-179.3-166.463.5000113.6V6 Y12 F44 K47 M48 A51 F64V6-L8 PolarHBondContact O-N 3.2Å; L8-Y12 WeakPolarHBondContact O-CB 3.44Å; L8-Y12 PolarHBondContact O-N 3.48Å; L8-F44 HydrophobicContact CD1-CD2 4.13Å; L8-F44 HydrophobicContact CD1-CE2 4.1Å; L8-K47 HydrophobicContact CD1-CB 3.81Å; L8-M48 HydrophobicContact CD1-CE 4.04Å; L8-M48 HydrophobicContact CD2-CE 4.19Å; L8-M48 HydrophobicContact CG-CE 4Å; L8-A51 HydrophobicContact CD2-CB 3.64Å; L8-F64 HydrophobicContact CD2-CZ 3.85Å; L8-F64 HydrophobicContact CG-CE1 4.48Å; L8-F64 HydrophobicContact CG-CZ 4.22Å
9S76.6Confident73.8Confident51 Ų5172.2 Ų72.236%0.35739%0.388SS..Hα-helixtrans-74.8-37.8179-170.10000112.2V6 D7 Y12 Q13V6-S9 PolarHBondContact O-N 3.34Å; D7-S9 VanDerWaalsContact C-N 3.27Å; D7-S9 PolarHBondContact O-N 3.32Å; S9-Y12 WeakPolarHBondContact O-CB 3.21Å; S9-Y12 PolarHBondContact O-N 3.19Å; S9-Q13 PolarHBondContact O-N 2.69Å
10C78.2Confident74.5Confident83 Ų8371.1 Ų71.156%0.56139%0.387SS*.Hα-helixtrans-65.4-48.8173.6-700000110.9V6 D7 Y12 Q13 F14V6-C10 PolarHBondContact O-N 3.37Å; D7-C10 PolarHBondContact O-N 3.48Å; C10-Y12 VanDerWaalsContact C-N 3.26Å; C10-Y12 PolarHBondContact O-N 3.11Å; C10-Q13 PolarHBondContact O-N 3.34Å; C10-F14 PolarHBondContact O-N 2.94Å; C10-F14 VanDerWaalsContact O-N 3.11Å
11D85.6Confident75Confident43 Ų4371.5 Ų71.523%0.2339%0.391CS..Hα-helixtrans-57.7-41.9175.6-76.6-9.4000111.3D7 Q13 F14 W15 F44D7-D11 PolarHBondContact O-N 3.3Å; D7-D11 VanDerWaalsContact O-N 3.07Å; D11-Q13 PolarHBondContact O-N 2.73Å; D11-F14 WeakPolarHBondContact O-CB 3.45Å; D11-F14 PolarHBondContact O-N 3.01Å; D11-W15 PolarHBondContact O-N 3.3Å; D11-F44 HydrophobicContact CB-CD2 3.86Å; D11-F44 HydrophobicContact CB-CE2 4.14Å
12Y88.5Confident77Confident3 Ų362 Ų621%0.01234%0.344CS..Hα-helixtrans-57.1-46.1178.5179.3-89000112.6L8 S9 C10 M16 F44 M48 F64 T66 I67 L70L8-Y12 WeakPolarHBondContact O-CB 3.44Å; L8-Y12 PolarHBondContact O-N 3.48Å; S9-Y12 WeakPolarHBondContact O-CB 3.21Å; S9-Y12 PolarHBondContact O-N 3.19Å; C10-Y12 VanDerWaalsContact C-N 3.26Å; C10-Y12 PolarHBondContact O-N 3.11Å; Y12-M16 HydrophobicContact CD1-CG 4.31Å; Y12-M16 HydrophobicContact CE1-CG 3.85Å; Y12-M16 WeakPolarHBondContact O-CB 3.44Å; Y12-M16 WeakPolarHBondContact O-CG 3.35Å; Y12-M16 PolarHBondContact O-N 3.02Å; Y12-F44 HydrophobicContact CD2-CZ 4.11Å; Y12-M48 HydrophobicContact CD2-CE 3.64Å; Y12-M48 HydrophobicContact CE2-CE 4.41Å; Y12-F64 HydrophobicContact CD1-CD1 4.34Å; Y12-F64 AromaticContact CD2-CD1 3.6Å; Y12-F64 HydrophobicContact CD2-CD1 3.6Å; Y12-F64 HydrophobicContact CD2-CE1 4.2Å; Y12-F64 HydrophobicContact CD2-CG 4.38Å; Y12-F64 HydrophobicContact CE2-CB 4Å; Y12-F64 AromaticContact CE2-CD1 3.9Å; Y12-F64 HydrophobicContact CE2-CD1 3.9Å; Y12-F64 HydrophobicContact CE2-CG 4.28Å; Y12-F64 AromaticContact CG-CD1 3.84Å; Y12-F64 HydrophobicContact CG-CD1 3.84Å; Y12-F64 HydrophobicContact CG-CE1 4.29Å; Y12-T66 WeakPolarHBondContact CE1-OG1 3.21Å; Y12-T66 WeakPolarHBondContact OH-CA 3.44Å; Y12-T66 WeakPolarHBondContact OH-CB 3.27Å; Y12-T66 PolarHBondContact OH-N 3.08Å; Y12-T66 PolarHBondContact OH-O 3.44Å; Y12-T66 PolarHBondContact OH-OG1 3.48Å; Y12-I67 HydrophobicContact CE2-CD1 3.96Å; Y12-I67 WeakPolarHBondContact OH-CA 3.39Å; Y12-I67 PolarHBondContact OH-N 3.25Å; Y12-L70 HydrophobicContact CD2-CD1 3.89Å; Y12-L70 HydrophobicContact CE2-CB 4.38Å; Y12-L70 HydrophobicContact CE2-CD1 3.71Å
13Q88.6Confident78.3Confident102 Ų10262.6 Ų62.648%0.47734%0.337SS..Hα-helixtrans-68.1-39.7178.5-68.4-62.7-26.900111.9S9 C10 D11 M16 Q17S9-Q13 PolarHBondContact O-N 2.69Å; C10-Q13 PolarHBondContact O-N 3.34Å; D11-Q13 PolarHBondContact O-N 2.73Å; Q13-M16 PolarHBondContact O-N 2.89Å; Q13-Q17 WeakPolarHBondContact O-CG 3.14Å; Q13-Q17 PolarHBondContact O-N 3.44Å; Q13-Q17 VanDerWaalsContact O-N 3.12Å
14F91.5Very high79.2Confident90 Ų9061.2 Ų61.240%0.39533%0.33SS..Hα-helixtrans-59.1-49.8175.2172.1-97.1000111.7C10 D11 M16 Q17 K18C10-F14 PolarHBondContact O-N 2.94Å; C10-F14 VanDerWaalsContact O-N 3.11Å; D11-F14 WeakPolarHBondContact O-CB 3.45Å; D11-F14 PolarHBondContact O-N 3.01Å; F14-M16 PolarHBondContact O-N 3.31Å; F14-Q17 PolarHBondContact O-N 3.48Å; F14-K18 HydrophobicContact CE1-CG 4.01Å; F14-K18 HydrophobicContact CE2-CG 4.36Å; F14-K18 HydrophobicContact CZ-CG 3.9Å; F14-K18 PolarHBondContact O-N 3.18Å
15W93.1Very high79.4Confident10 Ų1057.4 Ų57.44%0.03831%0.314CS..Hα-helixtrans-69-34.3-179.3-71.2117.1000113.1D11 Q17 K18 L19 W22 H37 Q40 F41 F44D11-W15 PolarHBondContact O-N 3.3Å; W15-Q17 VanDerWaalsContact C-N 3.3Å; W15-Q17 PolarHBondContact O-N 3.46Å; W15-K18 HydrophobicContact CE3-CB 4.07Å; W15-K18 HydrophobicContact CE3-CG 4.36Å; W15-K18 HydrophobicContact CZ3-CB 4.48Å; W15-K18 HydrophobicContact CZ3-CG 4.47Å; W15-K18 PolarHBondContact O-N 3.01Å; W15-L19 VanDerWaalsContact O-CB 3.3Å; W15-L19 WeakPolarHBondContact O-CB 3.21Å; W15-L19 VanDerWaalsContact O-CG 3.29Å; W15-L19 WeakPolarHBondContact O-CG 3.44Å; W15-L19 PolarHBondContact O-N 3.42Å; W15-W22 HydrophobicContact CE3-CH2 4.39Å; W15-W22 AromaticContact CZ3-CH2 3.82Å; W15-W22 HydrophobicContact CZ3-CH2 3.82Å; W15-W22 HydrophobicContact CZ3-CZ2 4.39Å; W15-H37 HydrophobicContact CH2-CB 4.02Å; W15-H37 HydrophobicContact CZ3-CB 4.06Å; W15-Q40 HydrophobicContact CH2-CB 3.79Å; W15-Q40 HydrophobicContact CZ2-CB 3.72Å; W15-F41 HydrophobicContact CB-CD2 4.27Å; W15-F41 HydrophobicContact CB-CE2 4.15Å; W15-F41 HydrophobicContact CD2-CB 4.5Å; W15-F41 AromaticContact CD2-CD2 3.56Å; W15-F41 HydrophobicContact CD2-CD2 3.56Å; W15-F41 HydrophobicContact CD2-CE2 4.32Å; W15-F41 HydrophobicContact CD2-CG 4.5Å; W15-F41 HydrophobicContact CE3-CB 4.1Å; W15-F41 AromaticContact CE3-CD2 3.49Å; W15-F41 HydrophobicContact CE3-CD2 3.49Å; W15-F41 VanDerWaalsContact CE3-CD2 3.49Å; W15-F41 HydrophobicContact CE3-CE2 4.34Å; W15-F41 HydrophobicContact CE3-CG 4.18Å; W15-F41 AromaticContact CG-CD2 3.91Å; W15-F41 HydrophobicContact CG-CD2 3.91Å; W15-F41 HydrophobicContact CG-CE2 4.25Å; W15-F41 HydrophobicContact CH2-CB 3.81Å; W15-F41 HydrophobicContact CZ2-CB 4.21Å; W15-F41 HydrophobicContact CZ3-CB 3.76Å; W15-F41 HydrophobicContact CZ3-CD2 4.05Å; W15-F41 HydrophobicContact CZ3-CG 4.3Å; W15-F44 HydrophobicContact CB-CD1 4.18Å; W15-F44 HydrophobicContact CB-CE1 3.95Å; W15-F44 HydrophobicContact CB-CZ 4.24Å; W15-F44 AromaticContact CD1-CD1 3.46Å; W15-F44 VanDerWaalsContact CD1-CD1 3.46Å; W15-F44 AromaticContact CD1-CD2 3.37Å; W15-F44 AromaticContact CD1-CE1 3.9Å; W15-F44 AromaticContact CD1-CE2 3.81Å; W15-F44 AromaticContact CD1-CG 3.16Å; W15-F44 HydrophobicContact CG-CB 4.49Å; W15-F44 AromaticContact CG-CD1 3.81Å; W15-F44 HydrophobicContact CG-CD1 3.81Å; W15-F44 HydrophobicContact CG-CD2 4.4Å; W15-F44 HydrophobicContact CG-CE1 4.07Å; W15-F44 AromaticContact CG-CG 3.97Å; W15-F44 HydrophobicContact CG-CG 3.97Å; W15-F44 HydrophobicContact CG-CZ 4.45Å; W15-F44 VanDerWaalsContact NE1-CB 3.31Å; W15-F44 AromaticContact NE1-CD2 3.86Å; W15-F44 AromaticContact NE1-CG 3.45Å
16M91Very high79.8Confident18 Ų1859.8 Ų59.89%0.08933%0.331CS..Hα-helixtrans-59.5-40.8171-84.3-57.7-69.800112.5Y12 Q13 F14 S20 Q69 L70Y12-M16 HydrophobicContact CD1-CG 4.31Å; Y12-M16 HydrophobicContact CE1-CG 3.85Å; Y12-M16 WeakPolarHBondContact O-CB 3.44Å; Y12-M16 WeakPolarHBondContact O-CG 3.35Å; Y12-M16 PolarHBondContact O-N 3.02Å; Q13-M16 PolarHBondContact O-N 2.89Å; F14-M16 PolarHBondContact O-N 3.31Å; M16-S20 WeakPolarHBondContact O-CB 3.36Å; M16-S20 PolarHBondContact O-N 3.22Å; M16-S20 VanDerWaalsContact O-N 3.14Å; M16-S20 PolarHBondContact O-OG 3.15Å; M16-Q69 HydrophobicContact CE-CB 4.03Å; M16-L70 HydrophobicContact CG-CD1 3.93Å; M16-L70 VanDerWaalsContact SD-CA 3.5Å; M16-L70 HydrophobicContact SD-CB 3.41Å; M16-L70 WeakPolarHBondContact SD-CB 3.34Å; M16-L70 HydrophobicContact SD-CD1 3.83Å; M16-L70 HydrophobicContact SD-CG 3.93Å
17Q89.9Confident80.5Confident130 Ų13058.4 Ų58.461%0.60732%0.323SS*.Hα-helixtrans-67.8-47.9176.1-70.6176.95.800111.2Q13 F14 W15 L19 S20 V21Q13-Q17 WeakPolarHBondContact O-CG 3.14Å; Q13-Q17 PolarHBondContact O-N 3.44Å; Q13-Q17 VanDerWaalsContact O-N 3.12Å; F14-Q17 PolarHBondContact O-N 3.48Å; W15-Q17 VanDerWaalsContact C-N 3.3Å; W15-Q17 PolarHBondContact O-N 3.46Å; Q17-L19 PolarHBondContact O-N 2.93Å; Q17-S20 WeakPolarHBondContact O-CB 3.35Å; Q17-S20 PolarHBondContact O-N 3.32Å; Q17-S20 VanDerWaalsContact O-N 3.12Å; Q17-V21 PolarHBondContact O-N 3.45Å; Q17-V21 VanDerWaalsContact O-N 3.13Å
18K90Very high80.6Confident39 Ų3958.4 Ų58.417%0.1732%0.322CS..Hα-helixtrans-56.8-49.3176-86.5-70.9-163.8178.70112.4F14 W15 S20 V21 W22 D33 H37F14-K18 HydrophobicContact CE1-CG 4.01Å; F14-K18 HydrophobicContact CE2-CG 4.36Å; F14-K18 HydrophobicContact CZ-CG 3.9Å; F14-K18 PolarHBondContact O-N 3.18Å; W15-K18 HydrophobicContact CE3-CB 4.07Å; W15-K18 HydrophobicContact CE3-CG 4.36Å; W15-K18 HydrophobicContact CZ3-CB 4.48Å; W15-K18 HydrophobicContact CZ3-CG 4.47Å; W15-K18 PolarHBondContact O-N 3.01Å; K18-S20 PolarHBondContact O-N 2.92Å; K18-V21 WeakPolarHBondContact O-CB 3.26Å; K18-V21 PolarHBondContact O-N 3.06Å; K18-W22 HydrophobicContact CB-CZ2 4.32Å; K18-W22 HydrophobicContact CD-CZ2 4.2Å; K18-W22 VanDerWaalsContact O-CG 3.3Å; K18-W22 PolarHBondContact O-N 3.39Å; K18-D33 IonicContact NZ-OD1 3.51Å; K18-D33 PolarHBondContact NZ-OD1 3.47Å; K18-D33 IonicContact NZ-OD2 2.69Å; K18-D33 PolarHBondContact NZ-OD2 3.42Å; K18-H37 PolarHBondContact NZ-CE1 2.88Å
19L90.3Very high80.4Confident2 Ų265.1 Ų65.11%0.0135%0.353CS..Hα-helixtrans-60.9-31.5177.4-75.8168.3000112.5W15 Q17 W22 D23 F41 L70 K73 A74 I80W15-L19 VanDerWaalsContact O-CB 3.3Å; W15-L19 WeakPolarHBondContact O-CB 3.21Å; W15-L19 VanDerWaalsContact O-CG 3.29Å; W15-L19 WeakPolarHBondContact O-CG 3.44Å; W15-L19 PolarHBondContact O-N 3.42Å; Q17-L19 PolarHBondContact O-N 2.93Å; L19-W22 HydrophobicContact CD2-CE3 3.8Å; L19-W22 HydrophobicContact CD2-CZ3 4.15Å; L19-W22 HydrophobicContact CG-CE3 4.5Å; L19-W22 PolarHBondContact O-N 3.23Å; L19-D23 WeakPolarHBondContact O-CB 3.26Å; L19-D23 PolarHBondContact O-N 3.34Å; L19-F41 HydrophobicContact CD1-CE2 3.92Å; L19-F41 HydrophobicContact CD1-CZ 3.9Å; L19-F41 HydrophobicContact CD2-CE2 4.48Å; L19-F41 HydrophobicContact CD2-CZ 4.13Å; L19-F41 HydrophobicContact CG-CE2 4.33Å; L19-F41 HydrophobicContact CG-CZ 4.38Å; L19-L70 HydrophobicContact CD1-CD1 4.32Å; L19-L70 HydrophobicContact CD1-CD2 4.45Å; L19-L70 HydrophobicContact CD1-CG 3.76Å; L19-K73 HydrophobicContact CB-CB 4.08Å; L19-K73 HydrophobicContact CB-CD 4.17Å; L19-K73 HydrophobicContact CD1-CB 4.48Å; L19-K73 HydrophobicContact CD2-CB 4.47Å; L19-A74 HydrophobicContact CD2-CB 4.28Å; L19-I80 HydrophobicContact CD2-CD1 3.64Å
20S87.5Confident80.4Confident50 Ų5063.4 Ų63.435%0.3534%0.341SS..Hα-helixtrans-71.8-31.7176.2-60.60000112.6M16 Q17 K18M16-S20 WeakPolarHBondContact O-CB 3.36Å; M16-S20 PolarHBondContact O-N 3.22Å; M16-S20 VanDerWaalsContact O-N 3.14Å; M16-S20 PolarHBondContact O-OG 3.15Å; Q17-S20 WeakPolarHBondContact O-CB 3.35Å; Q17-S20 PolarHBondContact O-N 3.32Å; Q17-S20 VanDerWaalsContact O-N 3.12Å; K18-S20 PolarHBondContact O-N 2.92Å
21V85.2Confident80.2Confident79 Ų7959.9 Ų59.948%0.47932%0.316SS..Hα-helixtrans-69.4-43169.91770000110.1Q17 K18 D23 Q24 T30Q17-V21 PolarHBondContact O-N 3.45Å; Q17-V21 VanDerWaalsContact O-N 3.13Å; K18-V21 WeakPolarHBondContact O-CB 3.26Å; K18-V21 PolarHBondContact O-N 3.06Å; V21-D23 VanDerWaalsContact C-N 3.31Å; V21-D23 PolarHBondContact O-N 3.39Å; V21-Q24 PolarHBondContact O-N 3.2Å; V21-T30 HydrophobicContact CG1-CG2 4.41Å
22W84.7Confident79.8Confident1 Ų160.2 Ų60.20%0.00432%0.316CS..Hα-helixtrans-70.3-24.4-179.8-59.4-13.9000114.1W15 K18 L19 Q24 A25 D33 T34 H37 I80W15-W22 HydrophobicContact CE3-CH2 4.39Å; W15-W22 AromaticContact CZ3-CH2 3.82Å; W15-W22 HydrophobicContact CZ3-CH2 3.82Å; W15-W22 HydrophobicContact CZ3-CZ2 4.39Å; K18-W22 HydrophobicContact CB-CZ2 4.32Å; K18-W22 HydrophobicContact CD-CZ2 4.2Å; K18-W22 VanDerWaalsContact O-CG 3.3Å; K18-W22 PolarHBondContact O-N 3.39Å; L19-W22 HydrophobicContact CD2-CE3 3.8Å; L19-W22 HydrophobicContact CD2-CZ3 4.15Å; L19-W22 HydrophobicContact CG-CE3 4.5Å; L19-W22 PolarHBondContact O-N 3.23Å; W22-Q24 PolarHBondContact O-N 3.13Å; W22-Q24 VanDerWaalsContact O-N 3.09Å; W22-A25 VanDerWaalsContact O-CA 3.23Å; W22-A25 WeakPolarHBondContact O-CA 3.41Å; W22-A25 VanDerWaalsContact O-CB 3.24Å; W22-A25 WeakPolarHBondContact O-CB 3.42Å; W22-A25 PolarHBondContact O-N 3.05Å; W22-D33 PolarHBondContact NE1-OD2 3.01Å; W22-T34 HydrophobicContact CD2-CG2 4.15Å; W22-T34 HydrophobicContact CE3-CG2 3.87Å; W22-T34 HydrophobicContact CH2-CG2 4.39Å; W22-T34 HydrophobicContact CZ3-CG2 4.01Å; W22-H37 HydrophobicContact CH2-CB 3.92Å; W22-H37 HydrophobicContact CZ2-CB 3.78Å; W22-I80 HydrophobicContact CE3-CD1 3.96Å; W22-I80 HydrophobicContact CZ3-CD1 3.87Å; W22-I80 HydrophobicContact CZ3-CG1 4.42Å
23D71.2Confident79.6Confident92 Ų9262 Ų6249%0.49233%0.326SS..THydrogen-bonded Turntrans-58.8-20.8175.6-153.823.2000111.9L19 V21 A25 K73L19-D23 WeakPolarHBondContact O-CB 3.26Å; L19-D23 PolarHBondContact O-N 3.34Å; V21-D23 VanDerWaalsContact C-N 3.31Å; V21-D23 PolarHBondContact O-N 3.39Å; D23-A25 PolarHBondContact O-N 2.64Å; D23-A25 VanDerWaalsContact O-N 3.09Å; D23-K73 IonicContact OD2-NZ 3.74Å; D23-K73 PolarHBondContact OD2-NZ 2.9Å
24Q59.7Low79.3Confident144 Ų14457.2 Ų57.267%0.67330%0.304SS*.THydrogen-bonded Turntrans-81.235.2170.3-55.2-175.99.600112.3V21 W22 S26V21-Q24 PolarHBondContact O-N 3.2Å; W22-Q24 PolarHBondContact O-N 3.13Å; W22-Q24 VanDerWaalsContact O-N 3.09Å; Q24-S26 PolarHBondContact O-N 3.44Å
25A55Low78.7Confident33 Ų3353.7 Ų53.727%0.27329%0.29SS..THydrogen-bonded Turntrans-5612.9-161.100000118.7W22 D23W22-A25 VanDerWaalsContact O-CA 3.23Å; W22-A25 WeakPolarHBondContact O-CA 3.41Å; W22-A25 VanDerWaalsContact O-CB 3.24Å; W22-A25 WeakPolarHBondContact O-CB 3.42Å; W22-A25 PolarHBondContact O-N 3.05Å; D23-A25 PolarHBondContact O-N 2.64Å; D23-A25 VanDerWaalsContact O-N 3.09Å
26S61.5Low78.2Confident87 Ų8758.1 Ų58.161%0.60831%0.314SS*.THydrogen-bonded Turntrans-93.4-11.9-176.858.40000114.5Q24Q24-S26 PolarHBondContact O-N 3.44Å
27T72.1Confident78.1Confident65 Ų6558.7 Ų58.740%0.39932%0.316SS..SBendtrans-96.1138.3-177.869.90000111.8E29 T30 Q31T27-E29 PolarHBondContact O-N 3.44Å; T27-T30 PolarHBondContact O-N 3.26Å; T27-T30 PolarHBondContact O-OG1 3.07Å; T27-T30 WeakPolarHBondContact OG1-CG2 3.46Å; T27-T30 PolarHBondContact OG1-N 3.22Å; T27-T30 PolarHBondContact OG1-OG1 3.38Å; T27-Q31 WeakPolarHBondContact O-CG 3.38Å; T27-Q31 PolarHBondContact O-N 3.09Å
28L70.5Confident77.9Confident92 Ų9252.7 Ų52.748%0.48229%0.289SS..Hα-helixtrans-52.7-39.7177-174.771.4000111.4T30 Q31 Q32L28-T30 PolarHBondContact O-N 3.35Å; L28-Q31 WeakPolarHBondContact O-CB 3.42Å; L28-Q31 PolarHBondContact O-N 3.1Å; L28-Q32 HydrophobicContact CG-CG 4.45Å; L28-Q32 VanDerWaalsContact CG-NE2 3.31Å; L28-Q32 WeakPolarHBondContact O-CG 3.49Å; L28-Q32 PolarHBondContact O-N 2.64Å
29E77.6Confident77.6Confident153 Ų15353.9 Ų53.972%0.71531%0.305SS*.Hα-helixtrans-58.3-45.8176.8-66.8177.5-179.200112.7T27 Q31 Q32 D33T27-E29 PolarHBondContact O-N 3.44Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.33Å; E29-Q32 PolarHBondContact O-N 2.81Å; E29-D33 WeakPolarHBondContact O-CB 3.17Å; E29-D33 PolarHBondContact O-N 3.3Å
30T76.7Confident77.5Confident15 Ų1559 Ų599%0.09233%0.33CS..Hα-helixtrans-65.8-32.9177.956.30000113.2V21 T27 L28 T34V21-T30 HydrophobicContact CG1-CG2 4.41Å; T27-T30 PolarHBondContact O-N 3.26Å; T27-T30 PolarHBondContact O-OG1 3.07Å; T27-T30 WeakPolarHBondContact OG1-CG2 3.46Å; T27-T30 PolarHBondContact OG1-N 3.22Å; T27-T30 PolarHBondContact OG1-OG1 3.38Å; L28-T30 PolarHBondContact O-N 3.35Å; T30-T34 WeakPolarHBondContact O-CB 3.43Å; T30-T34 PolarHBondContact O-N 2.83Å; T30-T34 PolarHBondContact O-OG1 3.02Å
31Q74.9Confident77.7Confident10 Ų1056.7 Ų56.75%0.04731%0.313CS..Hα-helixtrans-68.6-44176.8-58.7178.2-10.800110.6T27 L28 E29 T34 C35 F79 L133T27-Q31 WeakPolarHBondContact O-CG 3.38Å; T27-Q31 PolarHBondContact O-N 3.09Å; L28-Q31 WeakPolarHBondContact O-CB 3.42Å; L28-Q31 PolarHBondContact O-N 3.1Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.33Å; Q31-T34 PolarHBondContact O-N 3.06Å; Q31-C35 PolarHBondContact O-N 3.49Å; Q31-C35 PolarHBondContact O-SG 3.33Å; Q31-C35 VanDerWaalsContact O-SG 3.37Å; Q31-F79 HydrophobicContact CB-CD2 4.49Å; Q31-F79 HydrophobicContact CB-CE1 4.21Å; Q31-F79 HydrophobicContact CB-CE2 3.79Å; Q31-F79 HydrophobicContact CB-CZ 3.61Å; Q31-F79 HydrophobicContact CG-CD2 4.32Å; Q31-F79 HydrophobicContact CG-CE2 3.37Å; Q31-F79 HydrophobicContact CG-CZ 3.51Å; Q31-L133 VanDerWaalsContact NE2-CD2 3.33Å
32Q76.6Confident77.9Confident50 Ų5054 Ų5423%0.23430%0.295CS..Hα-helixtrans-61.9-45.2175.8-63.7172.114.100111.7L28 E29 T34 C35 L36L28-Q32 HydrophobicContact CG-CG 4.45Å; L28-Q32 VanDerWaalsContact CG-NE2 3.31Å; L28-Q32 WeakPolarHBondContact O-CG 3.49Å; L28-Q32 PolarHBondContact O-N 2.64Å; E29-Q32 PolarHBondContact O-N 2.81Å; Q32-T34 VanDerWaalsContact C-N 3.31Å; Q32-T34 PolarHBondContact O-N 3.18Å; Q32-C35 PolarHBondContact O-N 2.92Å; Q32-L36 WeakPolarHBondContact O-CB 3.49Å; Q32-L36 PolarHBondContact O-N 3.33Å
33D84.5Confident78.2Confident39 Ų3958.6 Ų58.621%0.20932%0.317CS..Hα-helixtrans-63.7-38177.8-170.366.3000111.5K18 W22 E29 L36 H37K18-D33 IonicContact NZ-OD1 3.51Å; K18-D33 PolarHBondContact NZ-OD1 3.47Å; K18-D33 IonicContact NZ-OD2 2.69Å; K18-D33 PolarHBondContact NZ-OD2 3.42Å; W22-D33 PolarHBondContact NE1-OD2 3.01Å; E29-D33 WeakPolarHBondContact O-CB 3.17Å; E29-D33 PolarHBondContact O-N 3.3Å; D33-L36 PolarHBondContact O-N 3.04Å; D33-H37 PolarHBondContact O-N 3.49Å; D33-H37 PolarHBondContact O-ND1 3.32Å; D33-H37 IonicContact OD1-CE1 3.8Å; D33-H37 PolarHBondContact OD1-CE1 3.34Å; D33-H37 IonicContact OD1-ND1 2.76Å; D33-H37 PolarHBondContact OD1-ND1 2.94Å; D33-H37 IonicContact OD2-ND1 3.88Å
34T82.7Confident79.2Confident3 Ų354.4 Ų54.42%0.01829%0.294CS..Hα-helixtrans-63.1-51175-54.90000111.1W22 T30 Q31 Q32 L36 H37 V38 F79 I80W22-T34 HydrophobicContact CD2-CG2 4.15Å; W22-T34 HydrophobicContact CE3-CG2 3.87Å; W22-T34 HydrophobicContact CH2-CG2 4.39Å; W22-T34 HydrophobicContact CZ3-CG2 4.01Å; T30-T34 WeakPolarHBondContact O-CB 3.43Å; T30-T34 PolarHBondContact O-N 2.83Å; T30-T34 PolarHBondContact O-OG1 3.02Å; Q31-T34 PolarHBondContact O-N 3.06Å; Q32-T34 VanDerWaalsContact C-N 3.31Å; Q32-T34 PolarHBondContact O-N 3.18Å; T34-L36 VanDerWaalsContact C-N 3.27Å; T34-L36 PolarHBondContact O-N 2.86Å; T34-H37 PolarHBondContact O-N 3.36Å; T34-V38 WeakPolarHBondContact O-CB 3.49Å; T34-V38 PolarHBondContact O-N 3.17Å; T34-F79 HydrophobicContact CG2-CB 3.69Å; T34-I80 HydrophobicContact CG2-CG1 4.11Å
35C78Confident80.8Confident16 Ų1647.5 Ų47.511%0.10826%0.262CS..Hα-helixtrans-60.7-36179.5-66.60000112.7Q31 Q32 V38Q31-C35 PolarHBondContact O-N 3.49Å; Q31-C35 PolarHBondContact O-SG 3.33Å; Q31-C35 VanDerWaalsContact O-SG 3.37Å; Q32-C35 PolarHBondContact O-N 2.92Å; C35-V38 WeakPolarHBondContact O-CG1 3.27Å
36L83.5Confident82.5Confident102 Ų10251.4 Ų51.453%0.53427%0.27SS..Hα-helixtrans-65.6-38.1178.2-178.564.9000112.4Q32 D33 T34Q32-L36 WeakPolarHBondContact O-CB 3.49Å; Q32-L36 PolarHBondContact O-N 3.33Å; D33-L36 PolarHBondContact O-N 3.04Å; T34-L36 VanDerWaalsContact C-N 3.27Å; T34-L36 PolarHBondContact O-N 2.86Å
37H88.1Confident83.9Confident30 Ų3051.2 Ų51.214%0.13926%0.258CS..Hα-helixtrans-102.2-5-171.9-64.887.6000114W15 K18 W22 D33 T34 A39 Q40 F41W15-H37 HydrophobicContact CH2-CB 4.02Å; W15-H37 HydrophobicContact CZ3-CB 4.06Å; K18-H37 PolarHBondContact NZ-CE1 2.88Å; W22-H37 HydrophobicContact CH2-CB 3.92Å; W22-H37 HydrophobicContact CZ2-CB 3.78Å; D33-H37 PolarHBondContact O-N 3.49Å; D33-H37 PolarHBondContact O-ND1 3.32Å; D33-H37 IonicContact OD1-CE1 3.8Å; D33-H37 PolarHBondContact OD1-CE1 3.34Å; D33-H37 IonicContact OD1-ND1 2.76Å; D33-H37 PolarHBondContact OD1-ND1 2.94Å; D33-H37 IonicContact OD2-ND1 3.88Å; T34-H37 PolarHBondContact O-N 3.36Å; H37-A39 VanDerWaalsContact C-N 3.29Å; H37-A39 PolarHBondContact O-N 2.92Å; H37-Q40 PolarHBondContact O-N 3.12Å; H37-Q40 VanDerWaalsContact O-N 3.16Å; H37-F41 PolarHBondContact O-N 2.85Å
38V85.6Confident84.8Confident5 Ų548.1 Ų48.13%0.0324%0.239CC..Hα-helixtrans-60.2-35.1-173.369.40000113.4T34 C35 F41 Q42 Y83T34-V38 WeakPolarHBondContact O-CB 3.49Å; T34-V38 PolarHBondContact O-N 3.17Å; C35-V38 WeakPolarHBondContact O-CG1 3.27Å; V38-F41 PolarHBondContact O-N 3.05Å; V38-Q42 WeakPolarHBondContact O-CG 3.39Å; V38-Q42 PolarHBondContact O-N 3.27Å; V38-Y83 HydrophobicContact CB-CE2 4.02Å; V38-Y83 HydrophobicContact CG1-CD2 4.34Å; V38-Y83 HydrophobicContact CG1-CE1 4.12Å; V38-Y83 HydrophobicContact CG1-CE2 3.54Å; V38-Y83 VanDerWaalsContact CG1-CZ 3.4Å; V38-Y83 WeakPolarHBondContact CG1-OH 3.44Å; V38-Y83 HydrophobicContact CG2-CD2 3.65Å; V38-Y83 HydrophobicContact CG2-CE2 3.57Å; V38-Y83 HydrophobicContact CG2-CG 4.38Å
39A83.1Confident85.7Confident63 Ų6346 Ų4652%0.52123%0.225SC..Hα-helixtrans-65.5-43.7177.100000111.9H37 F41 Q42 E43H37-A39 VanDerWaalsContact C-N 3.29Å; H37-A39 PolarHBondContact O-N 2.92Å; A39-F41 VanDerWaalsContact C-N 3.32Å; A39-Q42 WeakPolarHBondContact O-CB 3.31Å; A39-Q42 PolarHBondContact O-N 3.41Å; A39-E43 PolarHBondContact O-N 3.43Å; A39-E43 VanDerWaalsContact O-N 3.12Å
40Q89.7Confident86.3Confident111 Ų11143.8 Ų43.852%0.51922%0.215SC..Hα-helixtrans-65.8-38.2174.8-63.7173.5-5.200110.9W15 H37 E43 F44W15-Q40 HydrophobicContact CH2-CB 3.79Å; W15-Q40 HydrophobicContact CZ2-CB 3.72Å; H37-Q40 PolarHBondContact O-N 3.12Å; H37-Q40 VanDerWaalsContact O-N 3.16Å; Q40-E43 PolarHBondContact O-N 3.1Å; Q40-F44 PolarHBondContact O-N 2.88Å
41F91.6Very high86.9Confident0 Ų044 Ų440%022%0.217CC..Hα-helixtrans-65.1-38.4175.1-175.3-115.3000112.1W15 L19 H37 V38 A39 E43 F44 L45 A74 I80W15-F41 HydrophobicContact CB-CD2 4.27Å; W15-F41 HydrophobicContact CB-CE2 4.15Å; W15-F41 HydrophobicContact CD2-CB 4.5Å; W15-F41 AromaticContact CD2-CD2 3.56Å; W15-F41 HydrophobicContact CD2-CD2 3.56Å; W15-F41 HydrophobicContact CD2-CE2 4.32Å; W15-F41 HydrophobicContact CD2-CG 4.5Å; W15-F41 HydrophobicContact CE3-CB 4.1Å; W15-F41 AromaticContact CE3-CD2 3.49Å; W15-F41 HydrophobicContact CE3-CD2 3.49Å; W15-F41 VanDerWaalsContact CE3-CD2 3.49Å; W15-F41 HydrophobicContact CE3-CE2 4.34Å; W15-F41 HydrophobicContact CE3-CG 4.18Å; W15-F41 AromaticContact CG-CD2 3.91Å; W15-F41 HydrophobicContact CG-CD2 3.91Å; W15-F41 HydrophobicContact CG-CE2 4.25Å; W15-F41 HydrophobicContact CH2-CB 3.81Å; W15-F41 HydrophobicContact CZ2-CB 4.21Å; W15-F41 HydrophobicContact CZ3-CB 3.76Å; W15-F41 HydrophobicContact CZ3-CD2 4.05Å; W15-F41 HydrophobicContact CZ3-CG 4.3Å; L19-F41 HydrophobicContact CD1-CE2 3.92Å; L19-F41 HydrophobicContact CD1-CZ 3.9Å; L19-F41 HydrophobicContact CD2-CE2 4.48Å; L19-F41 HydrophobicContact CD2-CZ 4.13Å; L19-F41 HydrophobicContact CG-CE2 4.33Å; L19-F41 HydrophobicContact CG-CZ 4.38Å; H37-F41 PolarHBondContact O-N 2.85Å; V38-F41 PolarHBondContact O-N 3.05Å; A39-F41 VanDerWaalsContact C-N 3.32Å; F41-E43 VanDerWaalsContact C-N 3.34Å; F41-E43 PolarHBondContact O-N 3.24Å; F41-F44 AromaticContact CD2-CD1 3.84Å; F41-F44 HydrophobicContact CD2-CD1 3.84Å; F41-F44 HydrophobicContact CD2-CE1 4.48Å; F41-F44 AromaticContact CE2-CD1 3.71Å; F41-F44 HydrophobicContact CE2-CD1 3.71Å; F41-F44 AromaticContact CE2-CE1 3.93Å; F41-F44 HydrophobicContact CE2-CE1 3.93Å; F41-F44 WeakPolarHBondContact O-CB 3.38Å; F41-F44 PolarHBondContact O-N 2.86Å; F41-L45 HydrophobicContact CD1-CD1 3.87Å; F41-L45 HydrophobicContact CD1-CG 4.16Å; F41-L45 HydrophobicContact CE1-CD1 3.44Å; F41-L45 VanDerWaalsContact CE1-CD1 3.44Å; F41-L45 HydrophobicContact CE1-CD2 4.12Å; F41-L45 HydrophobicContact CE1-CG 3.75Å; F41-L45 HydrophobicContact CE2-CD2 4.34Å; F41-L45 HydrophobicContact CE2-CG 4.29Å; F41-L45 HydrophobicContact CZ-CD1 4Å; F41-L45 HydrophobicContact CZ-CD2 3.78Å; F41-L45 HydrophobicContact CZ-CG 3.82Å; F41-L45 WeakPolarHBondContact O-CG 3.36Å; F41-L45 PolarHBondContact O-N 3.21Å; F41-A74 HydrophobicContact CE1-CB 3.96Å; F41-A74 HydrophobicContact CZ-CB 3.85Å; F41-I80 HydrophobicContact CD1-CD1 3.94Å; F41-I80 HydrophobicContact CD1-CG1 4.41Å; F41-I80 HydrophobicContact CD1-CG2 4.31Å; F41-I80 HydrophobicContact CE1-CD1 3.65Å; F41-I80 HydrophobicContact CE1-CG1 4.44Å; F41-I80 HydrophobicContact CE1-CG2 4.02Å; F41-I80 HydrophobicContact CZ-CD1 4.43Å
42Q89Confident87.5Confident22 Ų2243.7 Ų43.710%0.10322%0.216CC..Hα-helixtrans-61.4-41.6173.5-77.6173.2-4.800111.8V38 A39 L45 R46 S86V38-Q42 WeakPolarHBondContact O-CG 3.39Å; V38-Q42 PolarHBondContact O-N 3.27Å; A39-Q42 WeakPolarHBondContact O-CB 3.31Å; A39-Q42 PolarHBondContact O-N 3.41Å; Q42-L45 PolarHBondContact O-N 3.35Å; Q42-R46 WeakPolarHBondContact O-CG 3.15Å; Q42-R46 PolarHBondContact O-N 2.96Å; Q42-S86 VanDerWaalsContact CG-OG 3.27Å; Q42-S86 WeakPolarHBondContact CG-OG 3.19Å; Q42-S86 PolarHBondContact NE2-OG 2.92Å
43E89.9Confident88Confident99 Ų9946.7 Ų46.746%0.46323%0.228SC..Hα-helixtrans-62.3-45.2175.5-166.2-171.315000111.3A39 Q40 F41 L45 R46 K47A39-E43 PolarHBondContact O-N 3.43Å; A39-E43 VanDerWaalsContact O-N 3.12Å; Q40-E43 PolarHBondContact O-N 3.1Å; F41-E43 VanDerWaalsContact C-N 3.34Å; F41-E43 PolarHBondContact O-N 3.24Å; E43-L45 PolarHBondContact O-N 3.01Å; E43-R46 PolarHBondContact O-N 3.5Å; E43-K47 WeakPolarHBondContact O-CG 3.34Å; E43-K47 PolarHBondContact O-N 2.97Å; E43-K47 VanDerWaalsContact OE1-CE 3.23Å; E43-K47 WeakPolarHBondContact OE1-CE 3.26Å; E43-K47 IonicContact OE1-NZ 3.56Å; E43-K47 PolarHBondContact OE1-NZ 2.67Å; E43-K47 VanDerWaalsContact OE1-NZ 3.13Å
44F93.4Very high87.9Confident3 Ų352 Ų521%0.01325%0.252CS..Hα-helixtrans-58.5-45.3172.9162.9-100.9000112.3L8 D11 Y12 W15 Q40 F41 R46 K47 M48 L70L8-F44 HydrophobicContact CD1-CD2 4.13Å; L8-F44 HydrophobicContact CD1-CE2 4.1Å; D11-F44 HydrophobicContact CB-CD2 3.86Å; D11-F44 HydrophobicContact CB-CE2 4.14Å; Y12-F44 HydrophobicContact CD2-CZ 4.11Å; W15-F44 HydrophobicContact CB-CD1 4.18Å; W15-F44 HydrophobicContact CB-CE1 3.95Å; W15-F44 HydrophobicContact CB-CZ 4.24Å; W15-F44 AromaticContact CD1-CD1 3.46Å; W15-F44 VanDerWaalsContact CD1-CD1 3.46Å; W15-F44 AromaticContact CD1-CD2 3.37Å; W15-F44 AromaticContact CD1-CE1 3.9Å; W15-F44 AromaticContact CD1-CE2 3.81Å; W15-F44 AromaticContact CD1-CG 3.16Å; W15-F44 HydrophobicContact CG-CB 4.49Å; W15-F44 AromaticContact CG-CD1 3.81Å; W15-F44 HydrophobicContact CG-CD1 3.81Å; W15-F44 HydrophobicContact CG-CD2 4.4Å; W15-F44 HydrophobicContact CG-CE1 4.07Å; W15-F44 AromaticContact CG-CG 3.97Å; W15-F44 HydrophobicContact CG-CG 3.97Å; W15-F44 HydrophobicContact CG-CZ 4.45Å; W15-F44 VanDerWaalsContact NE1-CB 3.31Å; W15-F44 AromaticContact NE1-CD2 3.86Å; W15-F44 AromaticContact NE1-CG 3.45Å; Q40-F44 PolarHBondContact O-N 2.88Å; F41-F44 AromaticContact CD2-CD1 3.84Å; F41-F44 HydrophobicContact CD2-CD1 3.84Å; F41-F44 HydrophobicContact CD2-CE1 4.48Å; F41-F44 AromaticContact CE2-CD1 3.71Å; F41-F44 HydrophobicContact CE2-CD1 3.71Å; F41-F44 AromaticContact CE2-CE1 3.93Å; F41-F44 HydrophobicContact CE2-CE1 3.93Å; F41-F44 WeakPolarHBondContact O-CB 3.38Å; F41-F44 PolarHBondContact O-N 2.86Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.96Å; F44-K47 PolarHBondContact O-N 3.5Å; F44-M48 HydrophobicContact CE2-CE 3.57Å; F44-M48 HydrophobicContact CZ-CE 3.53Å; F44-M48 WeakPolarHBondContact O-CB 3.36Å; F44-M48 PolarHBondContact O-N 2.88Å; F44-L70 HydrophobicContact CE1-CD1 3.78Å; F44-L70 HydrophobicContact CE1-CD2 4.06Å; F44-L70 HydrophobicContact CZ-CD1 3.78Å
45L92Very high88Confident0 Ų053.9 Ų53.90%026%0.261CS..Hα-helixtrans-60.8-37.4177-76.3179.9000111.9F41 Q42 E43 M48 Y49 L70 L71 I89 L90F41-L45 HydrophobicContact CD1-CD1 3.87Å; F41-L45 HydrophobicContact CD1-CG 4.16Å; F41-L45 HydrophobicContact CE1-CD1 3.44Å; F41-L45 VanDerWaalsContact CE1-CD1 3.44Å; F41-L45 HydrophobicContact CE1-CD2 4.12Å; F41-L45 HydrophobicContact CE1-CG 3.75Å; F41-L45 HydrophobicContact CE2-CD2 4.34Å; F41-L45 HydrophobicContact CE2-CG 4.29Å; F41-L45 HydrophobicContact CZ-CD1 4Å; F41-L45 HydrophobicContact CZ-CD2 3.78Å; F41-L45 HydrophobicContact CZ-CG 3.82Å; F41-L45 WeakPolarHBondContact O-CG 3.36Å; F41-L45 PolarHBondContact O-N 3.21Å; Q42-L45 PolarHBondContact O-N 3.35Å; E43-L45 PolarHBondContact O-N 3.01Å; L45-M48 PolarHBondContact O-N 2.95Å; L45-Y49 WeakPolarHBondContact O-CB 3.39Å; L45-Y49 PolarHBondContact O-N 3.39Å; L45-L70 HydrophobicContact CD2-CD2 4.33Å; L45-L71 HydrophobicContact CD2-CD2 4.48Å; L45-I89 HydrophobicContact CB-CB 4.45Å; L45-I89 HydrophobicContact CB-CG2 3.65Å; L45-I89 WeakPolarHBondContact O-CG2 3.41Å; L45-L90 HydrophobicContact CD1-CD2 3.89Å; L45-L90 HydrophobicContact CD1-CG 4Å; L45-L90 HydrophobicContact CD2-CD2 3.92Å
46R91.3Very high88.1Confident115 Ų11557.1 Ų57.143%0.43428%0.277SS..Hα-helixtrans-64.4-47.5173.8-69.9-177.2-165.1120.24.7111.4Q42 E43 F44 M48 Y49 E50 I89Q42-R46 WeakPolarHBondContact O-CG 3.15Å; Q42-R46 PolarHBondContact O-N 2.96Å; E43-R46 PolarHBondContact O-N 3.5Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.96Å; R46-M48 PolarHBondContact O-N 3.34Å; R46-Y49 PolarHBondContact O-N 3.47Å; R46-E50 PolarHBondContact O-N 3.38Å; R46-I89 HydrophobicContact CG-CD1 3.56Å; R46-I89 HydrophobicContact CG-CG1 4.16Å
47K91.2Very high87.6Confident83 Ų8353.9 Ų53.936%0.36126%0.263SS..Hα-helixtrans-58.8-39.8175.7-67.3177.6-175172.80111.2L8 E43 F44 A51L8-K47 HydrophobicContact CD1-CB 3.81Å; E43-K47 WeakPolarHBondContact O-CG 3.34Å; E43-K47 PolarHBondContact O-N 2.97Å; E43-K47 VanDerWaalsContact OE1-CE 3.23Å; E43-K47 WeakPolarHBondContact OE1-CE 3.26Å; E43-K47 IonicContact OE1-NZ 3.56Å; E43-K47 PolarHBondContact OE1-NZ 2.67Å; E43-K47 VanDerWaalsContact OE1-NZ 3.13Å; F44-K47 PolarHBondContact O-N 3.5Å; K47-A51 PolarHBondContact O-N 2.83Å; K47-A51 VanDerWaalsContact O-N 3.1Å
48M90.7Very high87.1Confident0 Ų057.8 Ų57.80%029%0.285CS..Hα-helixtrans-65.4-45.4176.3-170.558.958.800111.9L8 Y12 F44 L45 R46 E50 A51 L52 F64 I67L8-M48 HydrophobicContact CD1-CE 4.04Å; L8-M48 HydrophobicContact CD2-CE 4.19Å; L8-M48 HydrophobicContact CG-CE 4Å; Y12-M48 HydrophobicContact CD2-CE 3.64Å; Y12-M48 HydrophobicContact CE2-CE 4.41Å; F44-M48 HydrophobicContact CE2-CE 3.57Å; F44-M48 HydrophobicContact CZ-CE 3.53Å; F44-M48 WeakPolarHBondContact O-CB 3.36Å; F44-M48 PolarHBondContact O-N 2.88Å; L45-M48 PolarHBondContact O-N 2.95Å; R46-M48 PolarHBondContact O-N 3.34Å; M48-E50 PolarHBondContact O-N 2.79Å; M48-A51 PolarHBondContact O-N 3.48Å; M48-L52 HydrophobicContact CG-CD1 4.09Å; M48-L52 HydrophobicContact CG-CG 4.3Å; M48-L52 WeakPolarHBondContact O-CB 3.44Å; M48-L52 VanDerWaalsContact O-CG 3.29Å; M48-L52 WeakPolarHBondContact O-CG 3.36Å; M48-L52 PolarHBondContact O-N 2.73Å; M48-L52 HydrophobicContact SD-CG 4.37Å; M48-F64 HydrophobicContact CE-CD1 4.29Å; M48-F64 HydrophobicContact CE-CE1 4.01Å; M48-F64 HydrophobicContact CE-CZ 4.23Å; M48-F64 HydrophobicContact SD-CD2 4.26Å; M48-F64 HydrophobicContact SD-CE1 4.42Å; M48-F64 HydrophobicContact SD-CE2 4.12Å; M48-F64 HydrophobicContact SD-CG 4.46Å; M48-F64 HydrophobicContact SD-CZ 4.21Å; M48-I67 HydrophobicContact CG-CD1 4.02Å; M48-I67 HydrophobicContact SD-CD1 3.92Å
49Y90.3Very high87Confident48 Ų4860 Ų6019%0.18830%0.299CS..Hα-helixtrans-57.9-48.5176.1167.3-114.4000111.9L45 R46 A51 L52 K53 W92L45-Y49 WeakPolarHBondContact O-CB 3.39Å; L45-Y49 PolarHBondContact O-N 3.39Å; R46-Y49 PolarHBondContact O-N 3.47Å; Y49-A51 VanDerWaalsContact C-N 3.26Å; Y49-A51 PolarHBondContact O-N 3.32Å; Y49-L52 PolarHBondContact O-N 3.12Å; Y49-K53 WeakPolarHBondContact O-CB 3.34Å; Y49-K53 PolarHBondContact O-N 3.35Å; Y49-W92 HydrophobicContact CD1-CE3 4.26Å; Y49-W92 HydrophobicContact CD2-CB 3.65Å; Y49-W92 HydrophobicContact CE1-CE3 4.08Å; Y49-W92 HydrophobicContact CE2-CB 3.57Å; Y49-W92 HydrophobicContact CE2-CG 4.36Å; Y49-W92 HydrophobicContact CG-CB 4.31Å
50E90.5Very high87Confident106 Ų10657.2 Ų57.250%0.49528%0.275SS..Hα-helixtrans-60.3-37.5177.8-68.2-59.2153.600111.7R46 M48R46-E50 PolarHBondContact O-N 3.38Å; M48-E50 PolarHBondContact O-N 2.79Å
51A88.1Confident86.5Confident18 Ų1856.9 Ų56.915%0.14928%0.276CS..Hα-helixtrans-67.4-44.8174.200000112.7L8 K47 M48 Y49 K53 E54 M55L8-A51 HydrophobicContact CD2-CB 3.64Å; K47-A51 PolarHBondContact O-N 2.83Å; K47-A51 VanDerWaalsContact O-N 3.1Å; M48-A51 PolarHBondContact O-N 3.48Å; Y49-A51 VanDerWaalsContact C-N 3.26Å; Y49-A51 PolarHBondContact O-N 3.32Å; A51-K53 VanDerWaalsContact C-N 3.32Å; A51-K53 PolarHBondContact O-N 2.77Å; A51-E54 PolarHBondContact O-N 3.05Å; A51-M55 HydrophobicContact CB-CE 3.92Å; A51-M55 VanDerWaalsContact O-CG 3.26Å; A51-M55 WeakPolarHBondContact O-CG 3.42Å; A51-M55 PolarHBondContact O-N 3.35Å
52L88.7Confident86.1Confident4 Ų464.8 Ų64.82%0.02131%0.313CS..Hα-helixtrans-66.8-32-178.7-71.3177.6000112.8M48 Y49 E54 M55 V60 C93 C96 L97M48-L52 HydrophobicContact CG-CD1 4.09Å; M48-L52 HydrophobicContact CG-CG 4.3Å; M48-L52 WeakPolarHBondContact O-CB 3.44Å; M48-L52 VanDerWaalsContact O-CG 3.29Å; M48-L52 WeakPolarHBondContact O-CG 3.36Å; M48-L52 PolarHBondContact O-N 2.73Å; M48-L52 HydrophobicContact SD-CG 4.37Å; Y49-L52 PolarHBondContact O-N 3.12Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.29Å; L52-M55 PolarHBondContact O-N 3.49Å; L52-V60 HydrophobicContact CD2-CB 4.27Å; L52-V60 HydrophobicContact CD2-CG1 3.54Å; L52-V60 HydrophobicContact CD2-CG2 3.66Å; L52-C93 HydrophobicContact CD1-CB 4.11Å; L52-C96 HydrophobicContact CB-CB 3.89Å; L52-L97 HydrophobicContact CD2-CD2 4.1Å
53K85.3Confident85.9Confident113 Ų11367.9 Ų67.949%0.49132%0.324SS..Hα-helixtrans-63.4-31.8-179.4-177.5-177.5168.1-161.80113.2Y49 A51Y49-K53 WeakPolarHBondContact O-CB 3.34Å; Y49-K53 PolarHBondContact O-N 3.35Å; A51-K53 VanDerWaalsContact C-N 3.32Å; A51-K53 PolarHBondContact O-N 2.77Å
54E83.5Confident85.8Confident152 Ų15263.2 Ų63.271%0.7130%0.302SS*.Hα-helixtrans-97.5-11.3-175.9-60.1-60.6141.400113.5A51 L52A51-E54 PolarHBondContact O-N 3.05Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.29Å
55M84.8Confident85.5Confident41 Ų4167.6 Ų67.620%0.20233%0.331CS..SBendtrans-96.5141.9-176.1-69.2177.4-162.300112.3A51 L52 T59 V60 F64A51-M55 HydrophobicContact CB-CE 3.92Å; A51-M55 VanDerWaalsContact O-CG 3.26Å; A51-M55 WeakPolarHBondContact O-CG 3.42Å; A51-M55 PolarHBondContact O-N 3.35Å; L52-M55 PolarHBondContact O-N 3.49Å; M55-T59 HydrophobicContact CB-CG2 4.17Å; M55-T59 HydrophobicContact CG-CG2 3.9Å; M55-T59 HydrophobicContact SD-CG2 4.04Å; M55-V60 HydrophobicContact CB-CG2 3.6Å; M55-V60 HydrophobicContact SD-CG2 4.41Å; M55-F64 HydrophobicContact CE-CE2 4.41Å; M55-F64 HydrophobicContact SD-CE2 4.25Å
56D80.3Confident85.3Confident85 Ų8569.6 Ų69.646%0.45534%0.343SS..  trans-73.5161.1165.472.478.6000111.3N58 T59 V60D56-N58 VanDerWaalsContact C-N 3.26Å; D56-N58 PolarHBondContact O-N 3.19Å; D56-N58 WeakPolarHBondContact OD1-CA 3.48Å; D56-N58 VanDerWaalsContact OD1-CB 3.28Å; D56-N58 WeakPolarHBondContact OD1-CB 3.4Å; D56-N58 PolarHBondContact OD1-N 3.27Å; D56-T59 PolarHBondContact O-N 2.88Å; D56-T59 VanDerWaalsContact O-N 3.16Å; D56-T59 PolarHBondContact OD1-N 2.81Å; D56-T59 PolarHBondContact OD1-OG1 3.12Å; D56-T59 PolarHBondContact OD2-OG1 2.88Å; D56-V60 WeakPolarHBondContact O-CG2 3.3Å; D56-V60 PolarHBondContact O-N 3Å
57S73.1Confident85.2Confident34 Ų3464.6 Ų64.624%0.23833%0.325CS..Hα-helixtrans-58.8-31-176.3-63.80000114.6I61 N99S57-I61 WeakPolarHBondContact O-CD1 3.48Å; S57-I61 VanDerWaalsContact O-CG1 3.3Å; S57-I61 WeakPolarHBondContact O-CG1 3.41Å; S57-I61 PolarHBondContact O-N 2.84Å; S57-N99 PolarHBondContact OG-ND2 3.01Å; S57-N99 PolarHBondContact OG-OD1 2.95Å
58N76.8Confident85.1Confident112 Ų11261.8 Ų61.860%0.59932%0.319SS*.Hα-helixtrans-72.6-44.6178.6-61.4-33.8000110D56 V60 I61 E62D56-N58 VanDerWaalsContact C-N 3.26Å; D56-N58 PolarHBondContact O-N 3.19Å; D56-N58 WeakPolarHBondContact OD1-CA 3.48Å; D56-N58 VanDerWaalsContact OD1-CB 3.28Å; D56-N58 WeakPolarHBondContact OD1-CB 3.4Å; D56-N58 PolarHBondContact OD1-N 3.27Å; N58-V60 VanDerWaalsContact C-N 3.29Å; N58-V60 PolarHBondContact O-N 2.83Å; N58-I61 PolarHBondContact O-N 3.24Å; N58-E62 WeakPolarHBondContact O-CG 3.33Å; N58-E62 PolarHBondContact O-N 3.24Å
59T83.9Confident85.1Confident52 Ų5267 Ų6732%0.31934%0.343SS..Hα-helixtrans-59.1-40.1176-610000111.8M55 D56 R63M55-T59 HydrophobicContact CB-CG2 4.17Å; M55-T59 HydrophobicContact CG-CG2 3.9Å; M55-T59 HydrophobicContact SD-CG2 4.04Å; D56-T59 PolarHBondContact O-N 2.88Å; D56-T59 VanDerWaalsContact O-N 3.16Å; D56-T59 PolarHBondContact OD1-N 2.81Å; D56-T59 PolarHBondContact OD1-OG1 3.12Å; D56-T59 PolarHBondContact OD2-OG1 2.88Å; T59-R63 WeakPolarHBondContact O-CB 3.45Å; T59-R63 PolarHBondContact O-N 3.29Å; T59-R63 VanDerWaalsContact O-N 3.09Å
60V82.3Confident85.2Confident4 Ų464.8 Ų64.82%0.02434%0.335CS..Hα-helixtrans-62.4-46176173.50000111.6L52 M55 D56 N58 R63 F64 I67 L97L52-V60 HydrophobicContact CD2-CB 4.27Å; L52-V60 HydrophobicContact CD2-CG1 3.54Å; L52-V60 HydrophobicContact CD2-CG2 3.66Å; M55-V60 HydrophobicContact CB-CG2 3.6Å; M55-V60 HydrophobicContact SD-CG2 4.41Å; D56-V60 WeakPolarHBondContact O-CG2 3.3Å; D56-V60 PolarHBondContact O-N 3Å; N58-V60 VanDerWaalsContact C-N 3.29Å; N58-V60 PolarHBondContact O-N 2.83Å; V60-R63 PolarHBondContact O-N 2.84Å; V60-F64 CarbonylContact O-C 3.43Å; V60-F64 WeakPolarHBondContact O-CA 3.32Å; V60-F64 PolarHBondContact O-N 2.96Å; V60-I67 HydrophobicContact CG1-CG2 3.99Å; V60-L97 HydrophobicContact CG1-CD2 3.81Å
61I80.3Confident85.2Confident104 Ų10459.7 Ų59.753%0.53331%0.311SS..Hα-helixtrans-67.9-37.8-177.4-67.7167.3000111.3S57 N58 P65S57-I61 WeakPolarHBondContact O-CD1 3.48Å; S57-I61 VanDerWaalsContact O-CG1 3.3Å; S57-I61 WeakPolarHBondContact O-CG1 3.41Å; S57-I61 PolarHBondContact O-N 2.84Å; N58-I61 PolarHBondContact O-N 3.24Å; I61-P65 WeakPolarHBondContact O-CA 3.45Å; I61-P65 WeakPolarHBondContact O-CB 3.2Å
62E83.1Confident85.3Confident165 Ų16559.8 Ų59.877%0.77131%0.312SS*.Hα-helixtrans-65.7-41.4176.5-73.8-178.1177.700112N58N58-E62 WeakPolarHBondContact O-CG 3.33Å; N58-E62 PolarHBondContact O-N 3.24Å
63R85.1Confident85.4Confident88 Ų8861.7 Ų61.733%0.33232%0.32SS..Hα-helixtrans-86.3-33.2-173.4-163.2167173.1-166.8-19.6113.6S5 T59 V60S5-R63 PolarHBondContact O-NH2 2.7Å; T59-R63 WeakPolarHBondContact O-CB 3.45Å; T59-R63 PolarHBondContact O-N 3.29Å; T59-R63 VanDerWaalsContact O-N 3.09Å; V60-R63 PolarHBondContact O-N 2.84Å
64F88Confident85.6Confident1 Ų156.3 Ų56.30%0.00430%0.296CS..  trans-133.768-178-51.6-68.9000110.4L8 Y12 M48 M55 V60 T66 I67L8-F64 HydrophobicContact CD2-CZ 3.85Å; L8-F64 HydrophobicContact CG-CE1 4.48Å; L8-F64 HydrophobicContact CG-CZ 4.22Å; Y12-F64 HydrophobicContact CD1-CD1 4.34Å; Y12-F64 AromaticContact CD2-CD1 3.6Å; Y12-F64 HydrophobicContact CD2-CD1 3.6Å; Y12-F64 HydrophobicContact CD2-CE1 4.2Å; Y12-F64 HydrophobicContact CD2-CG 4.38Å; Y12-F64 HydrophobicContact CE2-CB 4Å; Y12-F64 AromaticContact CE2-CD1 3.9Å; Y12-F64 HydrophobicContact CE2-CD1 3.9Å; Y12-F64 HydrophobicContact CE2-CG 4.28Å; Y12-F64 AromaticContact CG-CD1 3.84Å; Y12-F64 HydrophobicContact CG-CD1 3.84Å; Y12-F64 HydrophobicContact CG-CE1 4.29Å; M48-F64 HydrophobicContact CE-CD1 4.29Å; M48-F64 HydrophobicContact CE-CE1 4.01Å; M48-F64 HydrophobicContact CE-CZ 4.23Å; M48-F64 HydrophobicContact SD-CD2 4.26Å; M48-F64 HydrophobicContact SD-CE1 4.42Å; M48-F64 HydrophobicContact SD-CE2 4.12Å; M48-F64 HydrophobicContact SD-CG 4.46Å; M48-F64 HydrophobicContact SD-CZ 4.21Å; M55-F64 HydrophobicContact CE-CE2 4.41Å; M55-F64 HydrophobicContact SD-CE2 4.25Å; V60-F64 CarbonylContact O-C 3.43Å; V60-F64 WeakPolarHBondContact O-CA 3.32Å; V60-F64 PolarHBondContact O-N 2.96Å; F64-T66 PolarHBondContact O-N 2.79Å; F64-I67 HydrophobicContact CB-CB 3.9Å; F64-I67 WeakPolarHBondContact O-CB 3.41Å; F64-I67 WeakPolarHBondContact O-CG2 3.43Å; F64-I67 PolarHBondContact O-N 3.48Å
65P85.1Confident85.8Confident95 Ų9549 Ų4962%0.61726%0.262SS*.THydrogen-bonded Turntrans-60.7-21.7-17222-33.7000114.1I61I61-P65 WeakPolarHBondContact O-CA 3.45Å; I61-P65 WeakPolarHBondContact O-CB 3.2Å
66T89.7Confident85.8Confident41 Ų4153.5 Ų53.525%0.25228%0.277SS..THydrogen-bonded Turntrans-105.515.7179.253.20000113.5Y12 F64 G68 Q69 L70Y12-T66 WeakPolarHBondContact CE1-OG1 3.21Å; Y12-T66 WeakPolarHBondContact OH-CA 3.44Å; Y12-T66 WeakPolarHBondContact OH-CB 3.27Å; Y12-T66 PolarHBondContact OH-N 3.08Å; Y12-T66 PolarHBondContact OH-O 3.44Å; Y12-T66 PolarHBondContact OH-OG1 3.48Å; F64-T66 PolarHBondContact O-N 2.79Å; T66-G68 PolarHBondContact O-N 2.94Å; T66-G68 VanDerWaalsContact O-N 3.16Å; T66-Q69 WeakPolarHBondContact O-CA 3.28Å; T66-Q69 VanDerWaalsContact O-CB 3.29Å; T66-Q69 WeakPolarHBondContact O-CB 3.32Å; T66-Q69 PolarHBondContact O-N 2.95Å; T66-L70 PolarHBondContact O-N 3.34Å
67I89.3Confident85.8Confident11 Ų1149.8 Ų49.86%0.05626%0.257CS..Hα-helixtrans-57.6-37.4-172.4-173.562.4000112.2Y12 M48 V60 F64 Q69 L70 L71 L97Y12-I67 HydrophobicContact CE2-CD1 3.96Å; Y12-I67 WeakPolarHBondContact OH-CA 3.39Å; Y12-I67 PolarHBondContact OH-N 3.25Å; M48-I67 HydrophobicContact CG-CD1 4.02Å; M48-I67 HydrophobicContact SD-CD1 3.92Å; V60-I67 HydrophobicContact CG1-CG2 3.99Å; F64-I67 HydrophobicContact CB-CB 3.9Å; F64-I67 WeakPolarHBondContact O-CB 3.41Å; F64-I67 WeakPolarHBondContact O-CG2 3.43Å; F64-I67 PolarHBondContact O-N 3.48Å; I67-Q69 VanDerWaalsContact C-N 3.27Å; I67-Q69 PolarHBondContact O-N 3.45Å; I67-L70 HydrophobicContact CD1-CD2 4.47Å; I67-L70 WeakPolarHBondContact O-CB 3.27Å; I67-L70 PolarHBondContact O-N 2.92Å; I67-L71 HydrophobicContact CD1-CG 4.38Å; I67-L71 HydrophobicContact CG1-CD1 4.19Å; I67-L71 HydrophobicContact CG1-CG 4.42Å; I67-L71 WeakPolarHBondContact O-CG 3.31Å; I67-L71 PolarHBondContact O-N 3.15Å; I67-L97 HydrophobicContact CG1-CD1 4.46Å; I67-L97 HydrophobicContact CG2-CD1 4.36Å
68G88Confident85.9Confident23 Ų2349 Ų4924%0.23725%0.251CS..Hα-helixtrans-60.8-36.1174.500000112.5T66 A72 W113T66-G68 PolarHBondContact O-N 2.94Å; T66-G68 VanDerWaalsContact O-N 3.16Å; G68-A72 WeakPolarHBondContact O-CB 3.37Å; G68-A72 PolarHBondContact O-N 3.46Å; G68-W113 VanDerWaalsContact O-CH2 3.3Å; G68-W113 WeakPolarHBondContact O-CH2 3.27Å; G68-W113 WeakPolarHBondContact O-CZ2 3.42Å
69Q90.3Very high85.8Confident111 Ų11144.4 Ų44.452%0.51923%0.226SC..Hα-helixtrans-71.5-39.8175.6-60177.7-700111.7M16 T66 I67 A72 K73M16-Q69 HydrophobicContact CE-CB 4.03Å; T66-Q69 WeakPolarHBondContact O-CA 3.28Å; T66-Q69 VanDerWaalsContact O-CB 3.29Å; T66-Q69 WeakPolarHBondContact O-CB 3.32Å; T66-Q69 PolarHBondContact O-N 2.95Å; I67-Q69 VanDerWaalsContact C-N 3.27Å; I67-Q69 PolarHBondContact O-N 3.45Å; Q69-A72 PolarHBondContact O-N 3.38Å; Q69-K73 WeakPolarHBondContact O-CB 3.4Å; Q69-K73 WeakPolarHBondContact O-CG 3.47Å; Q69-K73 PolarHBondContact O-N 2.95Å
70L92.5Very high85.7Confident0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-58.1-54.4175.2-173.3138.8000110.4Y12 M16 L19 F44 L45 T66 I67 A72 K73 A74Y12-L70 HydrophobicContact CD2-CD1 3.89Å; Y12-L70 HydrophobicContact CE2-CB 4.38Å; Y12-L70 HydrophobicContact CE2-CD1 3.71Å; M16-L70 HydrophobicContact CG-CD1 3.93Å; M16-L70 VanDerWaalsContact SD-CA 3.5Å; M16-L70 HydrophobicContact SD-CB 3.41Å; M16-L70 WeakPolarHBondContact SD-CB 3.34Å; M16-L70 HydrophobicContact SD-CD1 3.83Å; M16-L70 HydrophobicContact SD-CG 3.93Å; L19-L70 HydrophobicContact CD1-CD1 4.32Å; L19-L70 HydrophobicContact CD1-CD2 4.45Å; L19-L70 HydrophobicContact CD1-CG 3.76Å; F44-L70 HydrophobicContact CE1-CD1 3.78Å; F44-L70 HydrophobicContact CE1-CD2 4.06Å; F44-L70 HydrophobicContact CZ-CD1 3.78Å; L45-L70 HydrophobicContact CD2-CD2 4.33Å; T66-L70 PolarHBondContact O-N 3.34Å; I67-L70 HydrophobicContact CD1-CD2 4.47Å; I67-L70 WeakPolarHBondContact O-CB 3.27Å; I67-L70 PolarHBondContact O-N 2.92Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.23Å; L70-K73 PolarHBondContact O-N 2.9Å; L70-A74 WeakPolarHBondContact O-CB 3.35Å; L70-A74 PolarHBondContact O-N 3.49Å
71L91.6Very high85.6Confident0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-64.9-38.7-179.5-65.2176.8000111L45 I67 A74 C75 L90 C93 L94 L97L45-L71 HydrophobicContact CD2-CD2 4.48Å; I67-L71 HydrophobicContact CD1-CG 4.38Å; I67-L71 HydrophobicContact CG1-CD1 4.19Å; I67-L71 HydrophobicContact CG1-CG 4.42Å; I67-L71 WeakPolarHBondContact O-CG 3.31Å; I67-L71 PolarHBondContact O-N 3.15Å; L71-A74 PolarHBondContact O-N 3.44Å; L71-C75 VanDerWaalsContact O-CB 3.27Å; L71-C75 WeakPolarHBondContact O-CB 3.4Å; L71-C75 PolarHBondContact O-N 2.91Å; L71-C75 PolarHBondContact O-SG 2.89Å; L71-L90 HydrophobicContact CD2-CD2 3.84Å; L71-C93 HydrophobicContact CD1-CB 4.06Å; L71-C93 HydrophobicContact CD2-CB 3.74Å; L71-L94 HydrophobicContact CB-CD2 4.19Å; L71-L94 HydrophobicContact CD1-CD2 4.07Å; L71-L94 HydrophobicContact CD1-CG 4.44Å; L71-L97 HydrophobicContact CD1-CD1 3.58Å
72A89.7Confident85Confident20 Ų2037.2 Ų37.217%0.16519%0.187CC..Hα-helixtrans-56.8-55.5173.800000111.2G68 Q69 L70 A74 C75 W76 W113G68-A72 WeakPolarHBondContact O-CB 3.37Å; G68-A72 PolarHBondContact O-N 3.46Å; Q69-A72 PolarHBondContact O-N 3.38Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.23Å; A72-A74 VanDerWaalsContact C-N 3.27Å; A72-A74 PolarHBondContact O-N 3.13Å; A72-C75 CarbonylContact O-C 3.23Å; A72-C75 PolarHBondContact O-N 3.26Å; A72-C75 VanDerWaalsContact O-N 3.13Å; A72-W76 PolarHBondContact O-N 2.85Å; A72-W113 HydrophobicContact CB-CZ2 3.97Å
73K90.9Very high84.4Confident43 Ų4331 Ų3119%0.18716%0.157CC..Hα-helixtrans-59.3-41.4-178-74.3177.2176.4-72.10111.3L19 D23 Q69 L70 W76 N77L19-K73 HydrophobicContact CB-CB 4.08Å; L19-K73 HydrophobicContact CB-CD 4.17Å; L19-K73 HydrophobicContact CD1-CB 4.48Å; L19-K73 HydrophobicContact CD2-CB 4.47Å; D23-K73 IonicContact OD2-NZ 3.74Å; D23-K73 PolarHBondContact OD2-NZ 2.9Å; Q69-K73 WeakPolarHBondContact O-CB 3.4Å; Q69-K73 WeakPolarHBondContact O-CG 3.47Å; Q69-K73 PolarHBondContact O-N 2.95Å; L70-K73 PolarHBondContact O-N 2.9Å; K73-W76 PolarHBondContact O-N 2.89Å; K73-N77 PolarHBondContact O-N 2.85Å; K73-N77 VanDerWaalsContact O-N 3.12Å
74A89.9Confident83.6Confident0 Ų030.1 Ų30.10%016%0.159CC..Hα-helixtrans-63.9-44.8175.800000112.3L19 F41 L70 L71 A72 W76 N77 I80 L90L19-A74 HydrophobicContact CD2-CB 4.28Å; F41-A74 HydrophobicContact CE1-CB 3.96Å; F41-A74 HydrophobicContact CZ-CB 3.85Å; L70-A74 WeakPolarHBondContact O-CB 3.35Å; L70-A74 PolarHBondContact O-N 3.49Å; L71-A74 PolarHBondContact O-N 3.44Å; A72-A74 VanDerWaalsContact C-N 3.27Å; A72-A74 PolarHBondContact O-N 3.13Å; A74-W76 VanDerWaalsContact C-N 3.26Å; A74-W76 PolarHBondContact O-N 3Å; A74-N77 PolarHBondContact O-N 3.13Å; A74-I80 HydrophobicContact CB-CD1 4.28Å; A74-L90 HydrophobicContact CB-CD1 4.24Å; A74-L90 HydrophobicContact CB-CD2 3.72Å
75C87.2Confident83Confident0 Ų032.6 Ų32.60%017%0.17CC..Hα-helixtrans-72.6-16.5179.7-62.80000113.7L71 A72 L81 V117 H120 I121L71-C75 VanDerWaalsContact O-CB 3.27Å; L71-C75 WeakPolarHBondContact O-CB 3.4Å; L71-C75 PolarHBondContact O-N 2.91Å; L71-C75 PolarHBondContact O-SG 2.89Å; A72-C75 CarbonylContact O-C 3.23Å; A72-C75 PolarHBondContact O-N 3.26Å; A72-C75 VanDerWaalsContact O-N 3.13Å; C75-L81 VanDerWaalsContact O-CD1 3.26Å; C75-L81 WeakPolarHBondContact O-CD1 3.34Å; C75-V117 HydrophobicContact CB-CG1 3.62Å; C75-H120 PolarHBondContact O-CD2 3.37Å; C75-I121 HydrophobicContact CB-CD1 4.29Å; C75-I121 HydrophobicContact CB-CG1 4.22Å
76W84.7Confident82.9Confident134 Ų13428 Ų2851%0.50814%0.141SC..Hα-helixtrans-97.3-4.1173-74.8108.7000112.9A72 K73 A74 P78 H120A72-W76 PolarHBondContact O-N 2.85Å; K73-W76 PolarHBondContact O-N 2.89Å; A74-W76 VanDerWaalsContact C-N 3.26Å; A74-W76 PolarHBondContact O-N 3Å; W76-P78 WeakPolarHBondContact O-CD 3.34Å; W76-H120 AromaticContact CD2-CD2 3.79Å; W76-H120 AromaticContact CD2-NE2 3.93Å; W76-H120 AromaticContact CE2-CD2 3.96Å; W76-H120 AromaticContact CE3-CD2 3.61Å; W76-H120 AromaticContact CE3-CE1 3.93Å; W76-H120 AromaticContact CE3-NE2 3.28Å; W76-H120 VanDerWaalsContact CE3-NE2 3.28Å; W76-H120 HydrophobicContact CH2-CB 4.48Å; W76-H120 AromaticContact CH2-CD2 3.8Å; W76-H120 AromaticContact CH2-CE1 3.98Å; W76-H120 AromaticContact CH2-CG 3.73Å; W76-H120 AromaticContact CH2-ND1 3.81Å; W76-H120 AromaticContact CH2-NE2 3.94Å; W76-H120 HydrophobicContact CZ2-CB 4.46Å; W76-H120 AromaticContact CZ2-CD2 3.97Å; W76-H120 AromaticContact CZ3-CD2 3.63Å; W76-H120 AromaticContact CZ3-CE1 3.47Å; W76-H120 VanDerWaalsContact CZ3-CE1 3.47Å; W76-H120 WeakPolarHBondContact CZ3-CE1 3.42Å; W76-H120 AromaticContact CZ3-CG 3.92Å; W76-H120 AromaticContact CZ3-ND1 3.8Å; W76-H120 AromaticContact CZ3-NE2 3.31Å; W76-H120 VanDerWaalsContact CZ3-NE2 3.31Å; W76-H120 WeakPolarHBondContact CZ3-NE2 3.48Å
77N81.3Confident82.4Confident7 Ų727 Ų274%0.03713%0.133CC..  trans-90.6107.9173.9-171.5-36.9000110.4K73 A74 F79 I80 L81K73-N77 PolarHBondContact O-N 2.85Å; K73-N77 VanDerWaalsContact O-N 3.12Å; A74-N77 PolarHBondContact O-N 3.13Å; N77-F79 VanDerWaalsContact C-N 3.32Å; N77-F79 PolarHBondContact O-N 3.33Å; N77-F79 PolarHBondContact OD1-N 3.49Å; N77-I80 HydrophobicContact CB-CB 4.22Å; N77-I80 HydrophobicContact CB-CD1 3.8Å; N77-I80 HydrophobicContact CB-CG1 4Å; N77-I80 WeakPolarHBondContact O-CB 3.49Å; N77-I80 PolarHBondContact O-N 3.44Å; N77-I80 VanDerWaalsContact O-N 3.13Å; N77-I80 PolarHBondContact OD1-N 3.17Å; N77-L81 PolarHBondContact O-N 3.27Å; N77-L81 VanDerWaalsContact O-N 3.08Å
78P74.6Confident82Confident18 Ų1830 Ų3012%0.11715%0.146CC..Hα-helixtrans-64.1-28.7-178.123.8-34.8000114.3W76 I80 L81 A82 K129 E130 L133W76-P78 WeakPolarHBondContact O-CD 3.34Å; P78-I80 VanDerWaalsContact C-N 3.29Å; P78-I80 PolarHBondContact O-N 3.3Å; P78-L81 PolarHBondContact O-N 3.44Å; P78-A82 PolarHBondContact O-N 3.1Å; P78-K129 HydrophobicContact CB-CB 4.37Å; P78-E130 HydrophobicContact CB-CG 4.26Å; P78-E130 WeakPolarHBondContact O-CG 3.43Å; P78-L133 HydrophobicContact CB-CD1 3.51Å; P78-L133 HydrophobicContact CG-CD1 2.94Å; P78-L133 HydrophobicContact CG-CG 4.37Å
79F74.8Confident81.9Confident16 Ų1629 Ų297%0.0714%0.135CC..Hα-helixtrans-70.6-29.3175.4-69.5-85.8000112.2Q31 T34 N77 Y83 L133 P189Q31-F79 HydrophobicContact CB-CD2 4.49Å; Q31-F79 HydrophobicContact CB-CE1 4.21Å; Q31-F79 HydrophobicContact CB-CE2 3.79Å; Q31-F79 HydrophobicContact CB-CZ 3.61Å; Q31-F79 HydrophobicContact CG-CD2 4.32Å; Q31-F79 HydrophobicContact CG-CE2 3.37Å; Q31-F79 HydrophobicContact CG-CZ 3.51Å; T34-F79 HydrophobicContact CG2-CB 3.69Å; N77-F79 VanDerWaalsContact C-N 3.32Å; N77-F79 PolarHBondContact O-N 3.33Å; N77-F79 PolarHBondContact OD1-N 3.49Å; F79-Y83 WeakPolarHBondContact O-CD2 3.31Å; F79-Y83 VanDerWaalsContact O-CE2 3.31Å; F79-Y83 WeakPolarHBondContact O-CE2 3.15Å; F79-L133 HydrophobicContact CD2-CD1 4.05Å; F79-L133 HydrophobicContact CE2-CB 4.1Å; F79-L133 HydrophobicContact CE2-CD1 3.54Å; F79-L133 HydrophobicContact CE2-CD2 3.92Å; F79-L133 HydrophobicContact CE2-CG 4.09Å; F79-L133 HydrophobicContact CZ-CB 3.78Å; F79-L133 HydrophobicContact CZ-CD1 4.07Å; F79-L133 HydrophobicContact CZ-CD2 4.19Å; F79-L133 HydrophobicContact CZ-CG 4.26Å; F79-P189 HydrophobicContact CD1-CG 4.37Å
80I82.2Confident81.8Confident0 Ų023.7 Ų23.70%011%0.11CC..Hα-helixtrans-71.8-44.7171.9-63.9176.6000109.3L19 W22 T34 F41 A74 N77 P78 A82 Y83 S86 L90L19-I80 HydrophobicContact CD2-CD1 3.64Å; W22-I80 HydrophobicContact CE3-CD1 3.96Å; W22-I80 HydrophobicContact CZ3-CD1 3.87Å; W22-I80 HydrophobicContact CZ3-CG1 4.42Å; T34-I80 HydrophobicContact CG2-CG1 4.11Å; F41-I80 HydrophobicContact CD1-CD1 3.94Å; F41-I80 HydrophobicContact CD1-CG1 4.41Å; F41-I80 HydrophobicContact CD1-CG2 4.31Å; F41-I80 HydrophobicContact CE1-CD1 3.65Å; F41-I80 HydrophobicContact CE1-CG1 4.44Å; F41-I80 HydrophobicContact CE1-CG2 4.02Å; F41-I80 HydrophobicContact CZ-CD1 4.43Å; A74-I80 HydrophobicContact CB-CD1 4.28Å; N77-I80 HydrophobicContact CB-CB 4.22Å; N77-I80 HydrophobicContact CB-CD1 3.8Å; N77-I80 HydrophobicContact CB-CG1 4Å; N77-I80 WeakPolarHBondContact O-CB 3.49Å; N77-I80 PolarHBondContact O-N 3.44Å; N77-I80 VanDerWaalsContact O-N 3.13Å; N77-I80 PolarHBondContact OD1-N 3.17Å; P78-I80 VanDerWaalsContact C-N 3.29Å; P78-I80 PolarHBondContact O-N 3.3Å; I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 PolarHBondContact O-N 3.01Å; I80-Y83 PolarHBondContact O-N 3.11Å; I80-S86 WeakPolarHBondContact O-CB 3.49Å; I80-S86 PolarHBondContact O-OG 3.4Å; I80-L90 HydrophobicContact CG2-CD1 3.94Å
81L78.4Confident81.3Confident4 Ų425.8 Ų25.82%0.02112%0.121CC..Hα-helixtrans-65.6-29.6178.3-67.2-172.4000113C75 N77 P78 Y83 Q87 L90 I121 A124 E130C75-L81 VanDerWaalsContact O-CD1 3.26Å; C75-L81 WeakPolarHBondContact O-CD1 3.34Å; N77-L81 PolarHBondContact O-N 3.27Å; N77-L81 VanDerWaalsContact O-N 3.08Å; P78-L81 PolarHBondContact O-N 3.44Å; L81-Y83 PolarHBondContact O-N 3.24Å; L81-Q87 HydrophobicContact CB-CG 4.45Å; L81-Q87 HydrophobicContact CD2-CG 4.21Å; L81-Q87 WeakPolarHBondContact O-CG 3.29Å; L81-Q87 PolarHBondContact O-NE2 3.4Å; L81-L90 HydrophobicContact CD2-CD1 3.95Å; L81-I121 HydrophobicContact CD2-CG1 4.22Å; L81-I121 HydrophobicContact CD2-CG2 4.32Å; L81-A124 HydrophobicContact CD1-CB 4.03Å; L81-E130 WeakPolarHBondContact CB-OE1 3.39Å
82A68.7Low81.2Confident5 Ų531.4 Ų31.44%0.04114%0.142CC..THydrogen-bonded Turntrans-55.4-24.6178.600000114.3P78 I80 E130 P189 L190P78-A82 PolarHBondContact O-N 3.1Å; I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 PolarHBondContact O-N 3.01Å; A82-E130 VanDerWaalsContact CA-OE1 3.29Å; A82-E130 WeakPolarHBondContact CA-OE1 3.15Å; A82-E130 HydrophobicContact CB-CB 4.43Å; A82-E130 HydrophobicContact CB-CG 3.89Å; A82-E130 PolarHBondContact N-OE1 3.04Å; A82-P189 HydrophobicContact CB-CB 3.92Å; A82-L190 HydrophobicContact CB-CD2 4.21Å
83Y70.9Confident81.2Confident35 Ų3530.5 Ų30.514%0.13713%0.134CC..SBendtrans-88.1114.1174.7-62.9-94.7000111.3V38 F79 I80 L81 E85 S86 Q87 P189V38-Y83 HydrophobicContact CB-CE2 4.02Å; V38-Y83 HydrophobicContact CG1-CD2 4.34Å; V38-Y83 HydrophobicContact CG1-CE1 4.12Å; V38-Y83 HydrophobicContact CG1-CE2 3.54Å; V38-Y83 VanDerWaalsContact CG1-CZ 3.4Å; V38-Y83 WeakPolarHBondContact CG1-OH 3.44Å; V38-Y83 HydrophobicContact CG2-CD2 3.65Å; V38-Y83 HydrophobicContact CG2-CE2 3.57Å; V38-Y83 HydrophobicContact CG2-CG 4.38Å; F79-Y83 WeakPolarHBondContact O-CD2 3.31Å; F79-Y83 VanDerWaalsContact O-CE2 3.31Å; F79-Y83 WeakPolarHBondContact O-CE2 3.15Å; I80-Y83 PolarHBondContact O-N 3.11Å; L81-Y83 PolarHBondContact O-N 3.24Å; Y83-E85 PolarHBondContact O-N 2.98Å; Y83-E85 VanDerWaalsContact O-N 3.11Å; Y83-S86 WeakPolarHBondContact O-CB 3.36Å; Y83-S86 PolarHBondContact O-N 2.99Å; Y83-Q87 PolarHBondContact O-N 3.37Å; Y83-P189 HydrophobicContact CD2-CB 4.17Å; Y83-P189 HydrophobicContact CE1-CB 4.37Å; Y83-P189 HydrophobicContact CE2-CB 3.42Å; Y83-P189 VanDerWaalsContact CE2-CB 3.42Å; Y83-P189 VanDerWaalsContact OH-CA 3.27Å; Y83-P189 WeakPolarHBondContact OH-CA 3.43Å; Y83-P189 WeakPolarHBondContact OH-CB 3.33Å; Y83-P189 WeakPolarHBondContact OH-CD 3.3Å
84D67.2Low81Confident68 Ų6828.4 Ų28.436%0.36413%0.126SC..Hα-helixtrans-49.5-39175.4177.846000113Q87 K88D84-Q87 PolarHBondContact O-N 3.3Å; D84-K88 WeakPolarHBondContact O-CG 3.47Å; D84-K88 PolarHBondContact O-N 2.94Å; D84-K88 VanDerWaalsContact OD1-CE 3.29Å; D84-K88 WeakPolarHBondContact OD1-CE 3.29Å; D84-K88 IonicContact OD1-NZ 2.65Å; D84-K88 WeakPolarHBondContact OD2-CE 3.44Å; D84-K88 IonicContact OD2-NZ 3.65Å; D84-K88 PolarHBondContact OD2-NZ 2.98Å
85E76.6Confident80.7Confident53 Ų5331.4 Ų31.425%0.24815%0.145CC..Hα-helixtrans-66.3-42.4176.5-65.2-55.1144.900113Y83 Q87 K88 I89 K231Y83-E85 PolarHBondContact O-N 2.98Å; Y83-E85 VanDerWaalsContact O-N 3.11Å; E85-Q87 VanDerWaalsContact C-N 3.31Å; E85-Q87 PolarHBondContact O-N 3.05Å; E85-K88 PolarHBondContact O-N 3.13Å; E85-K88 IonicContact OE1-NZ 3.26Å; E85-K88 PolarHBondContact OE1-NZ 3.47Å; E85-I89 WeakPolarHBondContact O-CD1 3.28Å; E85-I89 VanDerWaalsContact O-CG1 3.23Å; E85-I89 WeakPolarHBondContact O-CG1 3.44Å; E85-I89 PolarHBondContact O-N 3.21Å; E85-K231 IonicContact OE1-NZ 3.63Å; E85-K231 PolarHBondContact OE1-NZ 3.36Å
86S83Confident80.6Confident0 Ų033.5 Ų33.50%016%0.16CC..Hα-helixtrans-60.8-43.8175-620000110.6Q42 I80 Y83 K88 I89 L90Q42-S86 VanDerWaalsContact CG-OG 3.27Å; Q42-S86 WeakPolarHBondContact CG-OG 3.19Å; Q42-S86 PolarHBondContact NE2-OG 2.92Å; I80-S86 WeakPolarHBondContact O-CB 3.49Å; I80-S86 PolarHBondContact O-OG 3.4Å; Y83-S86 WeakPolarHBondContact O-CB 3.36Å; Y83-S86 PolarHBondContact O-N 2.99Å; S86-K88 PolarHBondContact O-N 3.24Å; S86-I89 PolarHBondContact O-N 2.96Å; S86-L90 WeakPolarHBondContact O-CB 3.37Å; S86-L90 WeakPolarHBondContact O-CG 3.33Å; S86-L90 PolarHBondContact O-N 2.91Å
87Q79.4Confident80.6Confident19 Ų1927.8 Ų27.89%0.08914%0.139CC..Hα-helixtrans-58.4-49.3177.7-60.5-177.62.500111.1L81 Y83 D84 E85 I89 L90 I91 I121L81-Q87 HydrophobicContact CB-CG 4.45Å; L81-Q87 HydrophobicContact CD2-CG 4.21Å; L81-Q87 WeakPolarHBondContact O-CG 3.29Å; L81-Q87 PolarHBondContact O-NE2 3.4Å; Y83-Q87 PolarHBondContact O-N 3.37Å; D84-Q87 PolarHBondContact O-N 3.3Å; E85-Q87 VanDerWaalsContact C-N 3.31Å; E85-Q87 PolarHBondContact O-N 3.05Å; Q87-I89 PolarHBondContact O-N 3.46Å; Q87-L90 PolarHBondContact O-N 3.13Å; Q87-I91 WeakPolarHBondContact O-CB 3.38Å; Q87-I91 VanDerWaalsContact O-CG1 3.25Å; Q87-I91 WeakPolarHBondContact O-CG1 3.22Å; Q87-I91 PolarHBondContact O-N 3.41Å; Q87-I121 HydrophobicContact CB-CG2 4.45Å
88K80.5Confident80.6Confident73 Ų7330.3 Ų30.332%0.31715%0.152SC..Hα-helixtrans-57.5-49.4178.7-72.7171.8-168.61600111.8D84 E85 S86 L90 I91 W92D84-K88 WeakPolarHBondContact O-CG 3.47Å; D84-K88 PolarHBondContact O-N 2.94Å; D84-K88 VanDerWaalsContact OD1-CE 3.29Å; D84-K88 WeakPolarHBondContact OD1-CE 3.29Å; D84-K88 IonicContact OD1-NZ 2.65Å; D84-K88 WeakPolarHBondContact OD2-CE 3.44Å; D84-K88 IonicContact OD2-NZ 3.65Å; D84-K88 PolarHBondContact OD2-NZ 2.98Å; E85-K88 PolarHBondContact O-N 3.13Å; E85-K88 IonicContact OE1-NZ 3.26Å; E85-K88 PolarHBondContact OE1-NZ 3.47Å; S86-K88 PolarHBondContact O-N 3.24Å; K88-L90 PolarHBondContact O-N 2.73Å; K88-I91 PolarHBondContact O-N 3.44Å; K88-W92 HydrophobicContact CB-CZ2 4.43Å; K88-W92 PolarHBondContact O-N 3.16Å
89I84.7Confident80.7Confident2 Ų230.9 Ų30.91%0.0115%0.154CC..Hα-helixtrans-65.6-41-178.4-57.9157000110.5L45 R46 E85 S86 Q87 I91 W92 C93L45-I89 HydrophobicContact CB-CB 4.45Å; L45-I89 HydrophobicContact CB-CG2 3.65Å; L45-I89 WeakPolarHBondContact O-CG2 3.41Å; R46-I89 HydrophobicContact CG-CD1 3.56Å; R46-I89 HydrophobicContact CG-CG1 4.16Å; E85-I89 WeakPolarHBondContact O-CD1 3.28Å; E85-I89 VanDerWaalsContact O-CG1 3.23Å; E85-I89 WeakPolarHBondContact O-CG1 3.44Å; E85-I89 PolarHBondContact O-N 3.21Å; S86-I89 PolarHBondContact O-N 2.96Å; Q87-I89 PolarHBondContact O-N 3.46Å; I89-I91 PolarHBondContact O-N 3.03Å; I89-W92 HydrophobicContact CG1-CE3 4.45Å; I89-W92 HydrophobicContact CG1-CZ3 4.49Å; I89-W92 PolarHBondContact O-N 3.11Å; I89-C93 PolarHBondContact O-N 2.92Å; I89-C93 PolarHBondContact O-SG 3.48Å; I89-C93 VanDerWaalsContact O-SG 3.37Å
90L89.1Confident80.6Confident0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-61.9-43.7175.8-74.1171000111.9L45 L71 A74 I80 L81 S86 Q87 K88 W92 C93 L94 I121L45-L90 HydrophobicContact CD1-CD2 3.89Å; L45-L90 HydrophobicContact CD1-CG 4Å; L45-L90 HydrophobicContact CD2-CD2 3.92Å; L71-L90 HydrophobicContact CD2-CD2 3.84Å; A74-L90 HydrophobicContact CB-CD1 4.24Å; A74-L90 HydrophobicContact CB-CD2 3.72Å; I80-L90 HydrophobicContact CG2-CD1 3.94Å; L81-L90 HydrophobicContact CD2-CD1 3.95Å; S86-L90 WeakPolarHBondContact O-CB 3.37Å; S86-L90 WeakPolarHBondContact O-CG 3.33Å; S86-L90 PolarHBondContact O-N 2.91Å; Q87-L90 PolarHBondContact O-N 3.13Å; K88-L90 PolarHBondContact O-N 2.73Å; L90-W92 VanDerWaalsContact C-N 3.3Å; L90-W92 PolarHBondContact O-N 2.92Å; L90-C93 PolarHBondContact O-N 3.22Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.15Å; L90-I121 HydrophobicContact CB-CD1 4.43Å
91I82.5Confident80.3Confident44 Ų4446.8 Ų46.823%0.22623%0.225CC..Hα-helixtrans-58.8-44.4174.1-70.7165.5000110Q87 K88 I89 L94 C95 L118 I121Q87-I91 WeakPolarHBondContact O-CB 3.38Å; Q87-I91 VanDerWaalsContact O-CG1 3.25Å; Q87-I91 WeakPolarHBondContact O-CG1 3.22Å; Q87-I91 PolarHBondContact O-N 3.41Å; K88-I91 PolarHBondContact O-N 3.44Å; I89-I91 PolarHBondContact O-N 3.03Å; I91-L94 PolarHBondContact O-N 2.92Å; I91-C95 WeakPolarHBondContact O-CB 3.49Å; I91-C95 PolarHBondContact O-N 3.18Å; I91-C95 PolarHBondContact O-SG 3.35Å; I91-L118 HydrophobicContact CB-CD2 4.23Å; I91-L118 HydrophobicContact CG1-CD2 4.02Å; I91-L118 HydrophobicContact CG2-CD2 4Å; I91-I121 HydrophobicContact CD1-CG2 4.1Å; I91-I121 HydrophobicContact CG1-CD1 4.11Å; I91-I121 HydrophobicContact CG1-CG2 4.23Å
92W88.4Confident80Confident119 Ų11949 Ų4945%0.45124%0.24SC..Hα-helixtrans-64.2-47.2178.1-63.8-19.3000112.7Y49 K88 I89 L90 L94 C95 C96Y49-W92 HydrophobicContact CD1-CE3 4.26Å; Y49-W92 HydrophobicContact CD2-CB 3.65Å; Y49-W92 HydrophobicContact CE1-CE3 4.08Å; Y49-W92 HydrophobicContact CE2-CB 3.57Å; Y49-W92 HydrophobicContact CE2-CG 4.36Å; Y49-W92 HydrophobicContact CG-CB 4.31Å; K88-W92 HydrophobicContact CB-CZ2 4.43Å; K88-W92 PolarHBondContact O-N 3.16Å; I89-W92 HydrophobicContact CG1-CE3 4.45Å; I89-W92 HydrophobicContact CG1-CZ3 4.49Å; I89-W92 PolarHBondContact O-N 3.11Å; L90-W92 VanDerWaalsContact C-N 3.3Å; L90-W92 PolarHBondContact O-N 2.92Å; W92-L94 VanDerWaalsContact C-N 3.32Å; W92-L94 PolarHBondContact O-N 2.71Å; W92-C95 WeakPolarHBondContact O-CB 3.46Å; W92-C95 PolarHBondContact O-N 2.93Å; W92-C95 VanDerWaalsContact O-N 3.17Å; W92-C96 PolarHBondContact O-N 3.32Å; W92-C96 PolarHBondContact O-SG 3.48Å; W92-C96 VanDerWaalsContact O-SG 3.37Å
93C89.6Confident80.4Confident0 Ų055.9 Ų55.90%027%0.272CS..Hα-helixtrans-56.3-45.7174.4-73.20000111.8L52 L71 I89 L90 C96L52-C93 HydrophobicContact CD1-CB 4.11Å; L71-C93 HydrophobicContact CD1-CB 4.06Å; L71-C93 HydrophobicContact CD2-CB 3.74Å; I89-C93 PolarHBondContact O-N 2.92Å; I89-C93 PolarHBondContact O-SG 3.48Å; I89-C93 VanDerWaalsContact O-SG 3.37Å; L90-C93 PolarHBondContact O-N 3.22Å; C93-C96 WeakPolarHBondContact O-CB 3.25Å; C93-C96 PolarHBondContact O-N 2.99Å
94L87.3Confident80.9Confident0 Ų058.4 Ų58.40%029%0.287CS..Hα-helixtrans-62.2-43177-75.3169.7000111.6L71 L90 I91 W92 C96 L97 W113 I114 V117 L118 I121L71-L94 HydrophobicContact CB-CD2 4.19Å; L71-L94 HydrophobicContact CD1-CD2 4.07Å; L71-L94 HydrophobicContact CD1-CG 4.44Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.15Å; I91-L94 PolarHBondContact O-N 2.92Å; W92-L94 VanDerWaalsContact C-N 3.32Å; W92-L94 PolarHBondContact O-N 2.71Å; L94-C96 VanDerWaalsContact C-N 3.31Å; L94-C96 PolarHBondContact O-N 2.91Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L97 VanDerWaalsContact O-N 3.13Å; L94-W113 HydrophobicContact CD2-CH2 4.41Å; L94-W113 HydrophobicContact CD2-CZ3 4.4Å; L94-I114 HydrophobicContact CB-CG2 4.04Å; L94-I114 HydrophobicContact CD2-CG2 4.42Å; L94-V117 HydrophobicContact CD1-CB 4.28Å; L94-V117 HydrophobicContact CD1-CG1 3.61Å; L94-V117 HydrophobicContact CD2-CB 4.46Å; L94-V117 HydrophobicContact CD2-CG1 4.18Å; L94-L118 HydrophobicContact CB-CD2 4.02Å; L94-L118 HydrophobicContact CB-CG 4.39Å; L94-L118 HydrophobicContact CD1-CD2 3.8Å; L94-L118 HydrophobicContact CD1-CG 4.23Å; L94-I121 HydrophobicContact CD1-CD1 3.68Å
95C84.6Confident81.5Confident62 Ų6259.5 Ų59.542%0.41930%0.3SS..Hα-helixtrans-62.5-34.9177-75.20000112.8I91 W92 L97 I98I91-C95 WeakPolarHBondContact O-CB 3.49Å; I91-C95 PolarHBondContact O-N 3.18Å; I91-C95 PolarHBondContact O-SG 3.35Å; W92-C95 WeakPolarHBondContact O-CB 3.46Å; W92-C95 PolarHBondContact O-N 2.93Å; W92-C95 VanDerWaalsContact O-N 3.17Å; C95-L97 PolarHBondContact O-N 2.89Å; C95-I98 PolarHBondContact O-N 2.97Å
96C85.2Confident81.7Confident44 Ų4458.9 Ų58.930%0.29731%0.308SS..Hα-helixtrans-62.5-25.5174.7-69.60000113.2L52 W92 C93 L94L52-C96 HydrophobicContact CB-CB 3.89Å; W92-C96 PolarHBondContact O-N 3.32Å; W92-C96 PolarHBondContact O-SG 3.48Å; W92-C96 VanDerWaalsContact O-SG 3.37Å; C93-C96 WeakPolarHBondContact O-CB 3.25Å; C93-C96 PolarHBondContact O-N 2.99Å; L94-C96 VanDerWaalsContact C-N 3.31Å; L94-C96 PolarHBondContact O-N 2.91Å
97L84.1Confident81.4Confident15 Ų1560.7 Ų60.78%0.07932%0.317CS..THydrogen-bonded Turntrans-87.4-8.1-179.2-59.6179.1000113.5L52 V60 I67 L71 L94 C95 N99 I114L52-L97 HydrophobicContact CD2-CD2 4.1Å; V60-L97 HydrophobicContact CG1-CD2 3.81Å; I67-L97 HydrophobicContact CG1-CD1 4.46Å; I67-L97 HydrophobicContact CG2-CD1 4.36Å; L71-L97 HydrophobicContact CD1-CD1 3.58Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L97 VanDerWaalsContact O-N 3.13Å; C95-L97 PolarHBondContact O-N 2.89Å; L97-N99 PolarHBondContact O-N 3.22Å; L97-I114 HydrophobicContact CB-CD1 3.6Å
98I81.1Confident81.3Confident59 Ų5962.6 Ų62.630%0.30333%0.332SS..  trans-74.8120.1179.8-60.2178.6000109.5C95 K100 I114 L118C95-I98 PolarHBondContact O-N 2.97Å; I98-K100 PolarHBondContact O-N 3.29Å; I98-I114 HydrophobicContact CD1-CG2 3.83Å; I98-I114 HydrophobicContact CG1-CB 4.28Å; I98-I114 HydrophobicContact CG1-CD1 3.86Å; I98-I114 HydrophobicContact CG1-CG2 3.66Å; I98-L118 HydrophobicContact CD1-CD1 4.27Å
99N76.2Confident81.5Confident30 Ų3066 Ų6616%0.1635%0.347CS..  trans-81.4117.2172.3-82.2-85.4000109.7S57 L97 E101 Q107 N111S57-N99 PolarHBondContact OG-ND2 3.01Å; S57-N99 PolarHBondContact OG-OD1 2.95Å; L97-N99 PolarHBondContact O-N 3.22Å; N99-E101 PolarHBondContact O-N 2.94Å; N99-Q107 HydrophobicContact CB-CB 4.42Å; N99-N111 PolarHBondContact N-OD1 3.43Å; N99-N111 PolarHBondContact O-ND2 2.89Å
100K73.3Confident81.4Confident204 Ų20468.7 Ų68.789%0.88736%0.361SS*.SBendtrans-60.6-33-179-69-177.1179.9176.60113I98I98-K100 PolarHBondContact O-N 3.29Å
101E75.9Confident81.1Confident146 Ų14669.6 Ų69.668%0.68237%0.366SS*.SBendtrans-129.385.1179.1-66.7-179.7-17400109.3N99 Q103N99-E101 PolarHBondContact O-N 2.94Å; E101-Q103 PolarHBondContact O-N 3.32Å; E101-Q103 VanDerWaalsContact O-N 3.08Å
102P72.9Confident81.2Confident52 Ų5270.7 Ų70.734%0.33838%0.377SS..  trans-68110.3-179.427.9-33.2000110.1Q107 S108P102-Q107 HydrophobicContact CB-CB 3.63Å; P102-S108 WeakPolarHBondContact CB-OG 3.39Å
103Q76.8Confident81.2Confident149 Ų14969.3 Ų69.370%0.69637%0.372SS*.  trans-83-15-177.6-61.7-62.5-26.300112.9E101E101-Q103 PolarHBondContact O-N 3.32Å; E101-Q103 VanDerWaalsContact O-N 3.08Å
104N80.6Confident81Confident87 Ų8769.3 Ų69.347%0.46537%0.372SS..SBendtrans-140.1162.9-179.165.551.6000112.2G106 Q107 S108N104-G106 PolarHBondContact O-N 3.13Å; N104-G106 WeakPolarHBondContact OD1-CA 3.45Å; N104-G106 PolarHBondContact OD1-N 3.34Å; N104-Q107 PolarHBondContact O-N 3.3Å; N104-Q107 PolarHBondContact OD1-N 2.86Å; N104-S108 PolarHBondContact O-N 3.18Å
105S80.4Confident80.6Confident91 Ų9175.2 Ų75.264%0.63640%0.399SS*.Hα-helixtrans-61.4-25-179.762.90000113.2K109S105-K109 WeakPolarHBondContact O-CB 3.31Å; S105-K109 VanDerWaalsContact O-CG 3.26Å; S105-K109 WeakPolarHBondContact O-CG 3.2Å; S105-K109 PolarHBondContact O-N 3.1Å; S105-K109 VanDerWaalsContact O-N 3.07Å
106G80.1Confident80.6Confident40 Ų4074.3 Ų74.341%0.41240%0.401SS..Hα-helixtrans-66.7-47.9174.400000112.5N104 K109 L110N104-G106 PolarHBondContact O-N 3.13Å; N104-G106 WeakPolarHBondContact OD1-CA 3.45Å; N104-G106 PolarHBondContact OD1-N 3.34Å; G106-K109 PolarHBondContact O-N 3.44Å; G106-L110 PolarHBondContact O-N 3.4Å
107Q77.7Confident80.7Confident39 Ų3972.5 Ų72.518%0.18239%0.388CS..Hα-helixtrans-64.8-39.5177.6-72.3174.5-19.200111.8N99 P102 N104 L110 N111N99-Q107 HydrophobicContact CB-CB 4.42Å; P102-Q107 HydrophobicContact CB-CB 3.63Å; N104-Q107 PolarHBondContact O-N 3.3Å; N104-Q107 PolarHBondContact OD1-N 2.86Å; Q107-L110 PolarHBondContact O-N 2.75Å; Q107-N111 PolarHBondContact O-N 2.99Å
108S76.9Confident80.5Confident58 Ų5873 Ų7341%0.40639%0.391SS..Hα-helixtrans-64.3-40.6174.2-620000112.4P102 N104 N111 S112P102-S108 WeakPolarHBondContact CB-OG 3.39Å; N104-S108 PolarHBondContact O-N 3.18Å; S108-N111 PolarHBondContact O-N 3.47Å; S108-S112 WeakPolarHBondContact O-CB 3.35Å; S108-S112 PolarHBondContact O-N 2.9Å; S108-S112 PolarHBondContact O-OG 2.92Å
109K84.5Confident80.1Confident146 Ų14673.7 Ų73.764%0.63540%0.401SS*.Hα-helixtrans-63.3-43174.1-78176.3-176.4-177.50111.5S105 G106 S112 W113S105-K109 WeakPolarHBondContact O-CB 3.31Å; S105-K109 VanDerWaalsContact O-CG 3.26Å; S105-K109 WeakPolarHBondContact O-CG 3.2Å; S105-K109 PolarHBondContact O-N 3.1Å; S105-K109 VanDerWaalsContact O-N 3.07Å; G106-K109 PolarHBondContact O-N 3.44Å; K109-S112 WeakPolarHBondContact CA-OG 3.32Å; K109-S112 PolarHBondContact O-N 3.27Å; K109-S112 PolarHBondContact O-OG 2.84Å; K109-W113 WeakPolarHBondContact O-CB 3.49Å; K109-W113 PolarHBondContact O-N 3.16Å
110L82.6Confident80.3Confident58 Ų5873.3 Ų73.330%0.30440%0.398SS..Hα-helixtrans-60.6-49.3176-178.565.3000111.2G106 Q107 S112 W113 I114G106-L110 PolarHBondContact O-N 3.4Å; Q107-L110 PolarHBondContact O-N 2.75Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.37Å; L110-W113 HydrophobicContact CD1-CE3 3.87Å; L110-W113 HydrophobicContact CD1-CZ3 4.29Å; L110-W113 WeakPolarHBondContact O-CB 3.29Å; L110-W113 PolarHBondContact O-N 3.42Å; L110-W113 VanDerWaalsContact O-N 3.12Å; L110-I114 HydrophobicContact CD1-CD1 4.36Å; L110-I114 HydrophobicContact CD1-CG1 4.49Å; L110-I114 HydrophobicContact CG-CD1 3.98Å; L110-I114 WeakPolarHBondContact O-CG1 3.23Å; L110-I114 PolarHBondContact O-N 3.16Å
111N82.7Confident80.4Confident19 Ų1963.6 Ų63.610%0.10236%0.356CS..Hα-helixtrans-57.8-42.6176.3-75.32.7000111.9N99 Q107 S108 W113 I114 Q115N99-N111 PolarHBondContact N-OD1 3.43Å; N99-N111 PolarHBondContact O-ND2 2.89Å; Q107-N111 PolarHBondContact O-N 2.99Å; S108-N111 PolarHBondContact O-N 3.47Å; N111-W113 VanDerWaalsContact C-N 3.34Å; N111-W113 PolarHBondContact O-N 3.08Å; N111-I114 PolarHBondContact O-N 2.88Å; N111-Q115 WeakPolarHBondContact O-CB 3.28Å; N111-Q115 VanDerWaalsContact O-CG 3.31Å; N111-Q115 WeakPolarHBondContact O-CG 3.5Å; N111-Q115 PolarHBondContact O-N 3.32Å
112S84Confident80Confident67 Ų6761.4 Ų61.447%0.46935%0.349SS..Hα-helixtrans-65-37.2177.173.60000112.7S108 K109 L110 Q115 G116S108-S112 WeakPolarHBondContact O-CB 3.35Å; S108-S112 PolarHBondContact O-N 2.9Å; S108-S112 PolarHBondContact O-OG 2.92Å; K109-S112 WeakPolarHBondContact CA-OG 3.32Å; K109-S112 PolarHBondContact O-N 3.27Å; K109-S112 PolarHBondContact O-OG 2.84Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.37Å; S112-Q115 PolarHBondContact O-N 3.18Å; S112-G116 PolarHBondContact O-N 3.09Å
113W89.6Confident79.8Confident89 Ų8961.7 Ų61.734%0.33735%0.352SS..Hα-helixtrans-67-45.7175.1171.280000110.9G68 A72 L94 K109 L110 N111 Q115 G116 V117G68-W113 VanDerWaalsContact O-CH2 3.3Å; G68-W113 WeakPolarHBondContact O-CH2 3.27Å; G68-W113 WeakPolarHBondContact O-CZ2 3.42Å; A72-W113 HydrophobicContact CB-CZ2 3.97Å; L94-W113 HydrophobicContact CD2-CH2 4.41Å; L94-W113 HydrophobicContact CD2-CZ3 4.4Å; K109-W113 WeakPolarHBondContact O-CB 3.49Å; K109-W113 PolarHBondContact O-N 3.16Å; L110-W113 HydrophobicContact CD1-CE3 3.87Å; L110-W113 HydrophobicContact CD1-CZ3 4.29Å; L110-W113 WeakPolarHBondContact O-CB 3.29Å; L110-W113 PolarHBondContact O-N 3.42Å; L110-W113 VanDerWaalsContact O-N 3.12Å; N111-W113 VanDerWaalsContact C-N 3.34Å; N111-W113 PolarHBondContact O-N 3.08Å; W113-Q115 VanDerWaalsContact C-N 3.33Å; W113-Q115 PolarHBondContact O-N 3.32Å; W113-G116 WeakPolarHBondContact O-CA 3.4Å; W113-G116 PolarHBondContact O-N 2.66Å; W113-G116 VanDerWaalsContact O-N 3.08Å; W113-V117 HydrophobicContact CD2-CG2 4.24Å; W113-V117 HydrophobicContact CH2-CG2 4.29Å; W113-V117 HydrophobicContact CZ2-CG2 3.72Å; W113-V117 WeakPolarHBondContact O-CG2 3.41Å; W113-V117 PolarHBondContact O-N 3.22Å
114I83.8Confident79Confident0 Ų055.1 Ų55.10%032%0.323CS..Hα-helixtrans-58.6-45.6175.6-66.8166.2000110.6L94 L97 I98 L110 N111 G116 V117 L118L94-I114 HydrophobicContact CB-CG2 4.04Å; L94-I114 HydrophobicContact CD2-CG2 4.42Å; L97-I114 HydrophobicContact CB-CD1 3.6Å; I98-I114 HydrophobicContact CD1-CG2 3.83Å; I98-I114 HydrophobicContact CG1-CB 4.28Å; I98-I114 HydrophobicContact CG1-CD1 3.86Å; I98-I114 HydrophobicContact CG1-CG2 3.66Å; L110-I114 HydrophobicContact CD1-CD1 4.36Å; L110-I114 HydrophobicContact CD1-CG1 4.49Å; L110-I114 HydrophobicContact CG-CD1 3.98Å; L110-I114 WeakPolarHBondContact O-CG1 3.23Å; L110-I114 PolarHBondContact O-N 3.16Å; N111-I114 PolarHBondContact O-N 2.88Å; I114-G116 VanDerWaalsContact C-N 3.28Å; I114-G116 PolarHBondContact O-N 2.94Å; I114-V117 PolarHBondContact O-N 3.31Å; I114-V117 VanDerWaalsContact O-N 3.16Å; I114-L118 HydrophobicContact CG2-CD1 3.87Å; I114-L118 HydrophobicContact CG2-CG 4.17Å; I114-L118 WeakPolarHBondContact O-CB 3.41Å; I114-L118 WeakPolarHBondContact O-CG 3.34Å; I114-L118 PolarHBondContact O-N 3.4Å
115Q80.7Confident77.7Confident124 Ų12454.8 Ų54.858%0.57932%0.321SS*.Hα-helixtrans-59.4-39.3175.7-75175.6-800112N111 S112 W113 S119N111-Q115 WeakPolarHBondContact O-CB 3.28Å; N111-Q115 VanDerWaalsContact O-CG 3.31Å; N111-Q115 WeakPolarHBondContact O-CG 3.5Å; N111-Q115 PolarHBondContact O-N 3.32Å; S112-Q115 PolarHBondContact O-N 3.18Å; W113-Q115 VanDerWaalsContact C-N 3.33Å; W113-Q115 PolarHBondContact O-N 3.32Å; Q115-S119 WeakPolarHBondContact O-CB 3.4Å; Q115-S119 PolarHBondContact O-N 3.05Å
116G84Confident76.3Confident44 Ų4459.8 Ų59.845%0.45433%0.325SS..Hα-helixtrans-62.6-42.4173.700000113S112 W113 I114 S119 H120S112-G116 PolarHBondContact O-N 3.09Å; W113-G116 WeakPolarHBondContact O-CA 3.4Å; W113-G116 PolarHBondContact O-N 2.66Å; W113-G116 VanDerWaalsContact O-N 3.08Å; I114-G116 VanDerWaalsContact C-N 3.28Å; I114-G116 PolarHBondContact O-N 2.94Å; G116-S119 PolarHBondContact O-N 3.45Å; G116-H120 PolarHBondContact O-N 3.49Å
117V85.8Confident75Confident5 Ų562.6 Ų62.63%0.0333%0.327CS..Hα-helixtrans-68.5-44.3176.5-179.70000111.3C75 L94 W113 I114 S119 H120 I121C75-V117 HydrophobicContact CB-CG1 3.62Å; L94-V117 HydrophobicContact CD1-CB 4.28Å; L94-V117 HydrophobicContact CD1-CG1 3.61Å; L94-V117 HydrophobicContact CD2-CB 4.46Å; L94-V117 HydrophobicContact CD2-CG1 4.18Å; W113-V117 HydrophobicContact CD2-CG2 4.24Å; W113-V117 HydrophobicContact CH2-CG2 4.29Å; W113-V117 HydrophobicContact CZ2-CG2 3.72Å; W113-V117 WeakPolarHBondContact O-CG2 3.41Å; W113-V117 PolarHBondContact O-N 3.22Å; I114-V117 PolarHBondContact O-N 3.31Å; I114-V117 VanDerWaalsContact O-N 3.16Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 3.2Å; V117-H120 WeakPolarHBondContact O-CA 3.29Å; V117-H120 VanDerWaalsContact O-CB 3.29Å; V117-H120 WeakPolarHBondContact O-CB 3.22Å; V117-H120 PolarHBondContact O-N 3.35Å; V117-I121 HydrophobicContact CG1-CD1 4.47Å; V117-I121 WeakPolarHBondContact O-CG1 3.44Å; V117-I121 PolarHBondContact O-N 3.33Å
118L79.9Confident73.8Confident27 Ų2765.2 Ų65.214%0.14134%0.342CS..Hα-helixtrans-59.9-43.9175-73173.7000111I91 L94 I98 I114 H120 I121 L122I91-L118 HydrophobicContact CB-CD2 4.23Å; I91-L118 HydrophobicContact CG1-CD2 4.02Å; I91-L118 HydrophobicContact CG2-CD2 4Å; L94-L118 HydrophobicContact CB-CD2 4.02Å; L94-L118 HydrophobicContact CB-CG 4.39Å; L94-L118 HydrophobicContact CD1-CD2 3.8Å; L94-L118 HydrophobicContact CD1-CG 4.23Å; I98-L118 HydrophobicContact CD1-CD1 4.27Å; I114-L118 HydrophobicContact CG2-CD1 3.87Å; I114-L118 HydrophobicContact CG2-CG 4.17Å; I114-L118 WeakPolarHBondContact O-CB 3.41Å; I114-L118 WeakPolarHBondContact O-CG 3.34Å; I114-L118 PolarHBondContact O-N 3.4Å; L118-H120 PolarHBondContact O-N 3.19Å; L118-I121 PolarHBondContact O-N 3.02Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3.41Å
119S74.5Confident72.6Confident73 Ų7367 Ų6751%0.5134%0.342SS..Hα-helixtrans-61.1-34.5172.9-173.50000111.8Q115 G116 V117 S123Q115-S119 WeakPolarHBondContact O-CB 3.4Å; Q115-S119 PolarHBondContact O-N 3.05Å; G116-S119 PolarHBondContact O-N 3.45Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 3.2Å; S119-S123 WeakPolarHBondContact O-CB 3.3Å; S119-S123 PolarHBondContact O-N 3.09Å; S119-S123 PolarHBondContact O-OG 3.48Å
120H79.7Confident71.1Confident21 Ų2160.8 Ų60.810%0.09732%0.315CS..Hα-helixtrans-64-51.9174.7-177.843.9000111.2C75 W76 G116 V117 L118 L122 S123 A124 K129C75-H120 PolarHBondContact O-CD2 3.37Å; W76-H120 AromaticContact CD2-CD2 3.79Å; W76-H120 AromaticContact CD2-NE2 3.93Å; W76-H120 AromaticContact CE2-CD2 3.96Å; W76-H120 AromaticContact CE3-CD2 3.61Å; W76-H120 AromaticContact CE3-CE1 3.93Å; W76-H120 AromaticContact CE3-NE2 3.28Å; W76-H120 VanDerWaalsContact CE3-NE2 3.28Å; W76-H120 HydrophobicContact CH2-CB 4.48Å; W76-H120 AromaticContact CH2-CD2 3.8Å; W76-H120 AromaticContact CH2-CE1 3.98Å; W76-H120 AromaticContact CH2-CG 3.73Å; W76-H120 AromaticContact CH2-ND1 3.81Å; W76-H120 AromaticContact CH2-NE2 3.94Å; W76-H120 HydrophobicContact CZ2-CB 4.46Å; W76-H120 AromaticContact CZ2-CD2 3.97Å; W76-H120 AromaticContact CZ3-CD2 3.63Å; W76-H120 AromaticContact CZ3-CE1 3.47Å; W76-H120 VanDerWaalsContact CZ3-CE1 3.47Å; W76-H120 WeakPolarHBondContact CZ3-CE1 3.42Å; W76-H120 AromaticContact CZ3-CG 3.92Å; W76-H120 AromaticContact CZ3-ND1 3.8Å; W76-H120 AromaticContact CZ3-NE2 3.31Å; W76-H120 VanDerWaalsContact CZ3-NE2 3.31Å; W76-H120 WeakPolarHBondContact CZ3-NE2 3.48Å; G116-H120 PolarHBondContact O-N 3.49Å; V117-H120 WeakPolarHBondContact O-CA 3.29Å; V117-H120 VanDerWaalsContact O-CB 3.29Å; V117-H120 WeakPolarHBondContact O-CB 3.22Å; V117-H120 PolarHBondContact O-N 3.35Å; L118-H120 PolarHBondContact O-N 3.19Å; H120-L122 VanDerWaalsContact C-N 3.33Å; H120-L122 PolarHBondContact O-N 3.03Å; H120-S123 WeakPolarHBondContact CA-OG 3.41Å; H120-S123 CarbonylContact O-C 3.49Å; H120-S123 PolarHBondContact O-N 3.3Å; H120-S123 VanDerWaalsContact O-N 3.11Å; H120-S123 PolarHBondContact O-OG 2.97Å; H120-A124 WeakPolarHBondContact O-CB 3.48Å; H120-A124 PolarHBondContact O-N 3.33Å; H120-K129 PolarHBondContact CE1-NZ 3.11Å; H120-K129 VanDerWaalsContact CE1-NZ 3.27Å
121I75Confident69.7Low1 Ų158.1 Ų58.11%0.00530%0.302CS..Hα-helixtrans-57.1-49.6177.7-60169.2000109.9C75 L81 Q87 L90 I91 L94 V117 L118 S123 A124 L125C75-I121 HydrophobicContact CB-CD1 4.29Å; C75-I121 HydrophobicContact CB-CG1 4.22Å; L81-I121 HydrophobicContact CD2-CG1 4.22Å; L81-I121 HydrophobicContact CD2-CG2 4.32Å; Q87-I121 HydrophobicContact CB-CG2 4.45Å; L90-I121 HydrophobicContact CB-CD1 4.43Å; I91-I121 HydrophobicContact CD1-CG2 4.1Å; I91-I121 HydrophobicContact CG1-CD1 4.11Å; I91-I121 HydrophobicContact CG1-CG2 4.23Å; L94-I121 HydrophobicContact CD1-CD1 3.68Å; V117-I121 HydrophobicContact CG1-CD1 4.47Å; V117-I121 WeakPolarHBondContact O-CG1 3.44Å; V117-I121 PolarHBondContact O-N 3.33Å; L118-I121 PolarHBondContact O-N 3.02Å; I121-S123 PolarHBondContact O-N 3.19Å; I121-A124 WeakPolarHBondContact O-CB 3.46Å; I121-A124 PolarHBondContact O-N 3.16Å; I121-A124 VanDerWaalsContact O-N 3.09Å; I121-L125 PolarHBondContact O-N 3.24Å
122L68.7Low68.4Low100 Ų10058.2 Ų58.252%0.52431%0.305SS..Hα-helixtrans-64.9-27.8179.7-66.1175.1000112.9L118 H120 L125L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3.41Å; H120-L122 VanDerWaalsContact C-N 3.33Å; H120-L122 PolarHBondContact O-N 3.03Å; L122-L125 HydrophobicContact CB-CD1 4.38Å; L122-L125 HydrophobicContact CD2-CD1 3.72Å; L122-L125 WeakPolarHBondContact O-CB 3.38Å
123S67.9Low67.1Low58 Ų5855.9 Ų55.941%0.40629%0.287SS..Hα-helixtrans-79.2-34.5172.472.10000112.5S119 H120 I121 L125 R126S119-S123 WeakPolarHBondContact O-CB 3.3Å; S119-S123 PolarHBondContact O-N 3.09Å; S119-S123 PolarHBondContact O-OG 3.48Å; H120-S123 WeakPolarHBondContact CA-OG 3.41Å; H120-S123 CarbonylContact O-C 3.49Å; H120-S123 PolarHBondContact O-N 3.3Å; H120-S123 VanDerWaalsContact O-N 3.11Å; H120-S123 PolarHBondContact O-OG 2.97Å; I121-S123 PolarHBondContact O-N 3.19Å; S123-L125 PolarHBondContact O-N 3.02Å; S123-R126 VanDerWaalsContact O-CB 3.22Å; S123-R126 WeakPolarHBondContact O-CB 3.36Å; S123-R126 PolarHBondContact O-N 3.35Å
124A59.3Low65.7Low10 Ų1051.8 Ų51.88%0.08327%0.272CS..Hα-helixtrans-66.8-23175.900000111.6L81 H120 I121 R126L81-A124 HydrophobicContact CD1-CB 4.03Å; H120-A124 WeakPolarHBondContact O-CB 3.48Å; H120-A124 PolarHBondContact O-N 3.33Å; I121-A124 WeakPolarHBondContact O-CB 3.46Å; I121-A124 PolarHBondContact O-N 3.16Å; I121-A124 VanDerWaalsContact O-N 3.09Å; A124-R126 CarbonylContact O-C 3.47Å; A124-R126 VanDerWaalsContact O-C 3.23Å; A124-R126 PolarHBondContact O-N 3.06Å
125L54Low64.7Low81 Ų8151.9 Ų51.942%0.42427%0.272SS..THydrogen-bonded Turntrans-52.9-21.9164.5-64.6174.4000112.8I121 L122 S123 F127I121-L125 PolarHBondContact O-N 3.24Å; L122-L125 HydrophobicContact CB-CD1 4.38Å; L122-L125 HydrophobicContact CD2-CD1 3.72Å; L122-L125 WeakPolarHBondContact O-CB 3.38Å; S123-L125 PolarHBondContact O-N 3.02Å; L125-F127 VanDerWaalsContact C-N 3.33Å; L125-F127 PolarHBondContact O-N 2.9Å; L125-F127 VanDerWaalsContact O-N 3.16Å
126R51Low63.9Low195 Ų19550 Ų5074%0.73626%0.264SS*.SBendtrans-80.491162.2-56.6-172.1176.4-160.7-1.2106.8S123 A124 D128S123-R126 VanDerWaalsContact O-CB 3.22Å; S123-R126 WeakPolarHBondContact O-CB 3.36Å; S123-R126 PolarHBondContact O-N 3.35Å; A124-R126 CarbonylContact O-C 3.47Å; A124-R126 VanDerWaalsContact O-C 3.23Å; A124-R126 PolarHBondContact O-N 3.06Å; R126-D128 PolarHBondContact O-N 3.33Å
127F52.5Low62.6Low100 Ų10049.5 Ų49.544%0.43926%0.258SS..SBendtrans-6.9-2.9170.9-61-87.5000122.1L125 K129 V131 Y145 L193L125-F127 VanDerWaalsContact C-N 3.33Å; L125-F127 PolarHBondContact O-N 2.9Å; L125-F127 VanDerWaalsContact O-N 3.16Å; F127-K129 PolarHBondContact O-N 2.91Å; F127-V131 HydrophobicContact CB-CG2 4.26Å; F127-V131 WeakPolarHBondContact O-CB 3.28Å; F127-V131 WeakPolarHBondContact O-CG2 3.25Å; F127-Y145 WeakPolarHBondContact CB-OH 3.5Å; F127-Y145 PolarHBondContact O-OH 2.75Å; F127-L193 HydrophobicContact CE1-CD2 4.22Å
128D52.9Low61.4Low93 Ų9350.6 Ų50.650%0.49726%0.264SS..Hα-helixtrans-67.7-39.1-166.9-69.23.9000113.9R126 A132 Y145R126-D128 PolarHBondContact O-N 3.33Å; D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 3.44Å; D128-A132 VanDerWaalsContact O-N 3.11Å; D128-Y145 HydrophobicContact CB-CE1 4.27Å; D128-Y145 WeakPolarHBondContact OD1-CE1 3.4Å
129K51.3Low60.4Low95 Ų9552.7 Ų52.741%0.41329%0.292SS..Hα-helixtrans-86.6-44.4-169.6-71.2-168.9179.4-1720114.9P78 H120 F127 V131 A132 L133P78-K129 HydrophobicContact CB-CB 4.37Å; H120-K129 PolarHBondContact CE1-NZ 3.11Å; H120-K129 VanDerWaalsContact CE1-NZ 3.27Å; F127-K129 PolarHBondContact O-N 2.91Å; K129-V131 VanDerWaalsContact C-N 3.27Å; K129-A132 WeakPolarHBondContact O-CB 3.3Å; K129-A132 PolarHBondContact O-N 2.97Å; K129-L133 PolarHBondContact O-N 3.25Å
130E53.5Low59.4Low16 Ų1653.8 Ų53.88%0.07529%0.286CS..Hα-helixtrans-66.5-38.1178.8-68159.9-169.500110.2P78 L81 A82 L133 F134P78-E130 HydrophobicContact CB-CG 4.26Å; P78-E130 WeakPolarHBondContact O-CG 3.43Å; L81-E130 WeakPolarHBondContact CB-OE1 3.39Å; A82-E130 VanDerWaalsContact CA-OE1 3.29Å; A82-E130 WeakPolarHBondContact CA-OE1 3.15Å; A82-E130 HydrophobicContact CB-CB 4.43Å; A82-E130 HydrophobicContact CB-CG 3.89Å; A82-E130 PolarHBondContact N-OE1 3.04Å; E130-L133 PolarHBondContact O-N 3.41Å; E130-F134 PolarHBondContact O-N 3.08Å
131V53.5Low58.3Low2 Ų255.4 Ų55.41%0.01230%0.302CS..Hα-helixtrans-69.1-39.1173.6-1780000111.5F127 K129 L133 F134 T135 Y145 L150F127-V131 HydrophobicContact CB-CG2 4.26Å; F127-V131 WeakPolarHBondContact O-CB 3.28Å; F127-V131 WeakPolarHBondContact O-CG2 3.25Å; K129-V131 VanDerWaalsContact C-N 3.27Å; V131-L133 PolarHBondContact O-N 3.35Å; V131-F134 WeakPolarHBondContact O-CB 3.47Å; V131-F134 PolarHBondContact O-N 2.69Å; V131-T135 HydrophobicContact CG1-CG2 4.06Å; V131-T135 VanDerWaalsContact O-CG2 3.24Å; V131-T135 WeakPolarHBondContact O-CG2 3.32Å; V131-T135 PolarHBondContact O-N 3.44Å; V131-T135 PolarHBondContact O-OG1 3.41Å; V131-Y145 HydrophobicContact CB-CD2 4.48Å; V131-Y145 HydrophobicContact CB-CE2 3.73Å; V131-Y145 HydrophobicContact CG1-CD2 3.85Å; V131-Y145 HydrophobicContact CG1-CE2 3.23Å; V131-Y145 HydrophobicContact CG2-CE2 4.43Å; V131-L150 HydrophobicContact CG1-CB 3.89Å; V131-L150 HydrophobicContact CG1-CD1 3.84Å; V131-L150 HydrophobicContact CG1-CD2 4Å; V131-L150 HydrophobicContact CG1-CG 4.1Å; V131-L150 HydrophobicContact CG2-CD2 3.71Å
132A54.2Low57.2Low21 Ų2158.7 Ų58.717%0.17432%0.324CS..Hα-helixtrans-58.9-29.9173.900000113.1D128 K129 T135 Q136 P142D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 3.44Å; D128-A132 VanDerWaalsContact O-N 3.11Å; K129-A132 WeakPolarHBondContact O-CB 3.3Å; K129-A132 PolarHBondContact O-N 2.97Å; A132-T135 WeakPolarHBondContact CA-OG1 3.42Å; A132-T135 PolarHBondContact O-OG1 3.21Å; A132-Q136 VanDerWaalsContact O-CB 3.22Å; A132-Q136 WeakPolarHBondContact O-CB 3.23Å; A132-Q136 PolarHBondContact O-N 2.99Å; A132-P142 HydrophobicContact CB-CB 4.25Å
133L57.2Low56.3Low18 Ų1861.8 Ų61.89%0.09434%0.339CS..Hα-helixtrans-84.4-36176.9-76.3162.1000113.2Q31 P78 F79 K129 E130 V131 T135 Q136 G137Q31-L133 VanDerWaalsContact NE2-CD2 3.33Å; P78-L133 HydrophobicContact CB-CD1 3.51Å; P78-L133 HydrophobicContact CG-CD1 2.94Å; P78-L133 HydrophobicContact CG-CG 4.37Å; F79-L133 HydrophobicContact CD2-CD1 4.05Å; F79-L133 HydrophobicContact CE2-CB 4.1Å; F79-L133 HydrophobicContact CE2-CD1 3.54Å; F79-L133 HydrophobicContact CE2-CD2 3.92Å; F79-L133 HydrophobicContact CE2-CG 4.09Å; F79-L133 HydrophobicContact CZ-CB 3.78Å; F79-L133 HydrophobicContact CZ-CD1 4.07Å; F79-L133 HydrophobicContact CZ-CD2 4.19Å; F79-L133 HydrophobicContact CZ-CG 4.26Å; K129-L133 PolarHBondContact O-N 3.25Å; E130-L133 PolarHBondContact O-N 3.41Å; V131-L133 PolarHBondContact O-N 3.35Å; L133-T135 VanDerWaalsContact C-N 3.3Å; L133-Q136 PolarHBondContact O-N 3.08Å; L133-G137 PolarHBondContact O-N 2.76Å
134F61Low55.5Low3 Ų363.9 Ų63.91%0.01335%0.346CS..Hα-helixtrans-56.9-48.2166.3-178.3-110.1000110.4E130 V131 Q136 G137 L138 L150 V154 L157 V186 L190 L199E130-F134 PolarHBondContact O-N 3.08Å; V131-F134 WeakPolarHBondContact O-CB 3.47Å; V131-F134 PolarHBondContact O-N 2.69Å; F134-Q136 PolarHBondContact O-N 3.4Å; F134-G137 PolarHBondContact O-N 3.48Å; F134-L138 HydrophobicContact CD1-CD1 3.67Å; F134-L138 HydrophobicContact CD2-CD1 4.4Å; F134-L138 HydrophobicContact CE1-CD1 3.31Å; F134-L138 HydrophobicContact CE1-CG 4.49Å; F134-L138 HydrophobicContact CE2-CD1 4.11Å; F134-L138 HydrophobicContact CG-CD1 4.23Å; F134-L138 HydrophobicContact CZ-CD1 3.56Å; F134-L138 HydrophobicContact CZ-CG 4.44Å; F134-L138 WeakPolarHBondContact O-CG 3.17Å; F134-L138 PolarHBondContact O-N 3.14Å; F134-L138 VanDerWaalsContact O-N 3.09Å; F134-L150 HydrophobicContact CD1-CD1 3.43Å; F134-L150 VanDerWaalsContact CD1-CD1 3.43Å; F134-L150 HydrophobicContact CE1-CD1 3.58Å; F134-V154 HydrophobicContact CE1-CG2 4.05Å; F134-V154 HydrophobicContact CZ-CG2 4.35Å; F134-L157 HydrophobicContact CZ-CD1 4.45Å; F134-V186 HydrophobicContact CD2-CG1 3.69Å; F134-V186 HydrophobicContact CE2-CG1 4.13Å; F134-L190 HydrophobicContact CB-CD1 3.72Å; F134-L190 HydrophobicContact CD2-CD1 3.15Å; F134-L190 HydrophobicContact CE2-CD1 3.87Å; F134-L190 HydrophobicContact CG-CD1 3.61Å; F134-L199 HydrophobicContact CE2-CD2 4.22Å; F134-L199 HydrophobicContact CZ-CD2 3.69Å
135T61.5Low54.9Low2 Ų265.5 Ų65.51%0.01235%0.35CS..Hα-helixtrans-64.5-4117862.60000111.7V131 A132 L133 L138 G139 Y140 M153V131-T135 HydrophobicContact CG1-CG2 4.06Å; V131-T135 VanDerWaalsContact O-CG2 3.24Å; V131-T135 WeakPolarHBondContact O-CG2 3.32Å; V131-T135 PolarHBondContact O-N 3.44Å; V131-T135 PolarHBondContact O-OG1 3.41Å; A132-T135 WeakPolarHBondContact CA-OG1 3.42Å; A132-T135 PolarHBondContact O-OG1 3.21Å; L133-T135 VanDerWaalsContact C-N 3.3Å; T135-L138 CarbonylContact O-C 3.54Å; T135-L138 WeakPolarHBondContact O-CB 3.34Å; T135-L138 PolarHBondContact O-N 2.97Å; T135-L138 VanDerWaalsContact O-N 3.15Å; T135-G139 PolarHBondContact O-N 3.46Å; T135-Y140 CarbonylContact C-O 3.55Å; T135-Y140 WeakPolarHBondContact O-CB 3.43Å; T135-Y140 PolarHBondContact O-N 3.34Å; T135-M153 HydrophobicContact CG2-CE 3.52Å; T135-M153 HydrophobicContact CG2-SD 3.49Å; T135-M153 WeakPolarHBondContact CG2-SD 3.43Å
136Q64Low54.9Low85 Ų8570.7 Ų70.740%0.39737%0.365SS..Hα-helixtrans-62-42.9174-172.3179.45.200112.5A132 L133 F134 L138 G139 Y140A132-Q136 VanDerWaalsContact O-CB 3.22Å; A132-Q136 WeakPolarHBondContact O-CB 3.23Å; A132-Q136 PolarHBondContact O-N 2.99Å; L133-Q136 PolarHBondContact O-N 3.08Å; F134-Q136 PolarHBondContact O-N 3.4Å; Q136-L138 PolarHBondContact O-N 2.89Å; Q136-G139 PolarHBondContact O-N 3.04Å; Q136-Y140 WeakPolarHBondContact CA-O 3.32Å
137G57.8Low55Low33 Ų3365.6 Ų65.634%0.3436%0.358SS..Hα-helixtrans-64.1-22.5176.200000113.3L133 F134L133-G137 PolarHBondContact O-N 2.76Å; F134-G137 PolarHBondContact O-N 3.48Å
138L59.8Low55.5Low28 Ų2862.7 Ų62.715%0.14736%0.356CS..THydrogen-bonded Turntrans-90.7-3.3173.5-65.9172000113.8F134 T135 Q136 Y140 M153 L157 L183F134-L138 HydrophobicContact CD1-CD1 3.67Å; F134-L138 HydrophobicContact CD2-CD1 4.4Å; F134-L138 HydrophobicContact CE1-CD1 3.31Å; F134-L138 HydrophobicContact CE1-CG 4.49Å; F134-L138 HydrophobicContact CE2-CD1 4.11Å; F134-L138 HydrophobicContact CG-CD1 4.23Å; F134-L138 HydrophobicContact CZ-CD1 3.56Å; F134-L138 HydrophobicContact CZ-CG 4.44Å; F134-L138 WeakPolarHBondContact O-CG 3.17Å; F134-L138 PolarHBondContact O-N 3.14Å; F134-L138 VanDerWaalsContact O-N 3.09Å; T135-L138 CarbonylContact O-C 3.54Å; T135-L138 WeakPolarHBondContact O-CB 3.34Å; T135-L138 PolarHBondContact O-N 2.97Å; T135-L138 VanDerWaalsContact O-N 3.15Å; Q136-L138 PolarHBondContact O-N 2.89Å; L138-Y140 HydrophobicContact CB-CD2 3.64Å; L138-Y140 HydrophobicContact CB-CE2 3.94Å; L138-M153 HydrophobicContact CB-CE 4.06Å; L138-M153 HydrophobicContact CD1-CE 3.41Å; L138-M153 VanDerWaalsContact CD1-CE 3.41Å; L138-M153 HydrophobicContact CG-CE 4.39Å; L138-L157 HydrophobicContact CD1-CD1 3.5Å; L138-L157 VanDerWaalsContact CD1-CD1 3.5Å; L138-L157 HydrophobicContact CD2-CD1 3.5Å; L138-L157 VanDerWaalsContact CD2-CD1 3.5Å; L138-L157 HydrophobicContact CD2-CD2 4.26Å; L138-L157 HydrophobicContact CG-CD1 4.12Å; L138-L183 HydrophobicContact CD2-CD2 3.16Å
139G58.8Low56.1Low71 Ų7160.4 Ų60.473%0.73234%0.343SS*.THydrogen-bonded Turntrans87.414.8-178.600000115.5T135 Q136T135-G139 PolarHBondContact O-N 3.46Å; Q136-G139 PolarHBondContact O-N 3.04Å
140Y54.2Low56.8Low97 Ų9756.1 Ų56.138%0.3833%0.325SS..  trans-99.7145.6178-64.3-95.3000111.6T135 Q136 L138 M153T135-Y140 CarbonylContact C-O 3.55Å; T135-Y140 WeakPolarHBondContact O-CB 3.43Å; T135-Y140 PolarHBondContact O-N 3.34Å; Q136-Y140 WeakPolarHBondContact CA-O 3.32Å; L138-Y140 HydrophobicContact CB-CD2 3.64Å; L138-Y140 HydrophobicContact CB-CE2 3.94Å; Y140-M153 HydrophobicContact CD1-CE 4.37Å; Y140-M153 HydrophobicContact CD1-SD 4.32Å; Y140-M153 HydrophobicContact CD2-CE 3.19Å; Y140-M153 HydrophobicContact CD2-SD 4.16Å; Y140-M153 HydrophobicContact CE2-CE 3.62Å; Y140-M153 HydrophobicContact CG-CE 3.61Å; Y140-M153 HydrophobicContact CG-SD 4.03Å
141A56.5Low57.8Low54 Ų5460.8 Ų60.845%0.44635%0.345SS..  trans-80.9142.4-17800000112.1I143 D144A141-I143 PolarHBondContact O-N 3.49Å; A141-D144 PolarHBondContact O-N 3Å
142P52.3Low58.7Low70 Ų7065.7 Ų65.746%0.45537%0.371SS..G310 helixtrans-62.8-22.7-178.8-25.334.3000115.6A132 D144 Y145A132-P142 HydrophobicContact CB-CB 4.25Å; P142-D144 PolarHBondContact O-N 3.24Å; P142-Y145 WeakPolarHBondContact O-CB 3.31Å; P142-Y145 PolarHBondContact O-N 3.18Å
143I49.5Very low59.7Low165 Ų16564.9 Ų64.985%0.84636%0.364SS*.G310 helixtrans-68.8-19.7-174.4-79.2168.3000112.8A141 Y145A141-I143 PolarHBondContact O-N 3.49Å; I143-Y145 VanDerWaalsContact C-N 3.29Å; I143-Y145 PolarHBondContact O-N 2.71Å
144D50Low61Low102 Ų10264.1 Ų64.155%0.54536%0.36SS..G310 helixtrans-87.78-177.4-61.1-41.8000113.4A141 P142 Y146 L149A141-D144 PolarHBondContact O-N 3Å; P142-D144 PolarHBondContact O-N 3.24Å; D144-Y146 PolarHBondContact O-N 3.18Å; D144-L149 HydrophobicContact CB-CD2 4.01Å; D144-L149 VanDerWaalsContact O-CD2 3.27Å; D144-L149 WeakPolarHBondContact O-CD2 3.44Å
145Y48.1Very low62.1Low45 Ų4567.6 Ų67.618%0.17638%0.378CS..  trans-69.299.8-170.6-173.4-106.4000113.8F127 D128 V131 P142 I143F127-Y145 WeakPolarHBondContact CB-OH 3.5Å; F127-Y145 PolarHBondContact O-OH 2.75Å; D128-Y145 HydrophobicContact CB-CE1 4.27Å; D128-Y145 WeakPolarHBondContact OD1-CE1 3.4Å; V131-Y145 HydrophobicContact CB-CD2 4.48Å; V131-Y145 HydrophobicContact CB-CE2 3.73Å; V131-Y145 HydrophobicContact CG1-CD2 3.85Å; V131-Y145 HydrophobicContact CG1-CE2 3.23Å; V131-Y145 HydrophobicContact CG2-CE2 4.43Å; P142-Y145 WeakPolarHBondContact O-CB 3.31Å; P142-Y145 PolarHBondContact O-N 3.18Å; I143-Y145 VanDerWaalsContact C-N 3.29Å; I143-Y145 PolarHBondContact O-N 2.71Å
146Y52.6Low63Low189 Ų18970.3 Ų70.374%0.74140%0.397SS*.  trans-105.1143.2154.8-92.6-96.5000108.2D144 G148 L149D144-Y146 PolarHBondContact O-N 3.18Å; Y146-G148 PolarHBondContact O-N 3.42Å; Y146-L149 WeakPolarHBondContact O-CA 3.26Å; Y146-L149 WeakPolarHBondContact O-CB 3.33Å; Y146-L149 PolarHBondContact O-N 2.92Å
147P53.3Low64Low89 Ų8966.3 Ų66.358%0.57838%0.378SS*.Hα-helixtrans-52.6-27.5175.1-28.434.5000114.1L149P147-L149 VanDerWaalsContact C-N 3.33Å
148G63.2Low65.4Low38 Ų3864.8 Ų64.839%0.39236%0.363SS..Hα-helixtrans-70.4-23.2171.700000114.7Y146 N152Y146-G148 PolarHBondContact O-N 3.42Å; G148-N152 WeakPolarHBondContact O-CB 2.96Å; G148-N152 PolarHBondContact O-N 2.88Å; G148-N152 PolarHBondContact O-ND2 3.34Å; G148-N152 PolarHBondContact O-OD1 2.97Å
149L65.2Low66.6Low45 Ų4566.1 Ų66.124%0.23637%0.374CS..Hα-helixtrans-66.3-45.8178.2-175.668.8000111.1D144 Y146 P147 K151 N152 M153D144-L149 HydrophobicContact CB-CD2 4.01Å; D144-L149 VanDerWaalsContact O-CD2 3.27Å; D144-L149 WeakPolarHBondContact O-CD2 3.44Å; Y146-L149 WeakPolarHBondContact O-CA 3.26Å; Y146-L149 WeakPolarHBondContact O-CB 3.33Å; Y146-L149 PolarHBondContact O-N 2.92Å; P147-L149 VanDerWaalsContact C-N 3.33Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.07Å; L149-N152 CarbonylContact O-C 3.57Å; L149-N152 PolarHBondContact O-N 3.47Å; L149-N152 VanDerWaalsContact O-N 3.15Å; L149-M153 HydrophobicContact CD1-CG 4.24Å; L149-M153 HydrophobicContact CD1-SD 4.3Å; L149-M153 HydrophobicContact CD2-SD 4.01Å; L149-M153 HydrophobicContact CG-CG 4.13Å; L149-M153 HydrophobicContact CG-SD 3.74Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 VanDerWaalsContact O-CG 3.24Å; L149-M153 WeakPolarHBondContact O-CG 3.33Å; L149-M153 PolarHBondContact O-N 3.33Å
150L66.3Low67.7Low6 Ų664.8 Ų64.83%0.03135%0.349CS..Hα-helixtrans-56.9-51.4177.517562.3000110.8V131 F134 N152 M153 V154 D195V131-L150 HydrophobicContact CG1-CB 3.89Å; V131-L150 HydrophobicContact CG1-CD1 3.84Å; V131-L150 HydrophobicContact CG1-CD2 4Å; V131-L150 HydrophobicContact CG1-CG 4.1Å; V131-L150 HydrophobicContact CG2-CD2 3.71Å; F134-L150 HydrophobicContact CD1-CD1 3.43Å; F134-L150 VanDerWaalsContact CD1-CD1 3.43Å; F134-L150 HydrophobicContact CE1-CD1 3.58Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 3.4Å; L150-M153 WeakPolarHBondContact O-CB 3.01Å; L150-M153 PolarHBondContact O-N 3.5Å; L150-M153 VanDerWaalsContact O-N 3.12Å; L150-V154 HydrophobicContact CD1-CG2 3.93Å; L150-V154 HydrophobicContact CG-CG2 4.31Å; L150-V154 WeakPolarHBondContact O-CB 3.48Å; L150-V154 WeakPolarHBondContact O-CG2 3.35Å; L150-V154 PolarHBondContact O-N 2.96Å; L150-D195 HydrophobicContact CD2-CB 4.12Å
151K73.8Confident69.1Low114 Ų11460.2 Ų60.250%0.49633%0.331SS..Hα-helixtrans-56.6-44.1177.4-176.4172.7-179.2171.10111.3L149 L155L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.07Å; K151-L155 HydrophobicContact CG-CD1 3.98Å; K151-L155 HydrophobicContact CG-CG 4.49Å; K151-L155 VanDerWaalsContact O-CB 3.3Å; K151-L155 WeakPolarHBondContact O-CB 3.45Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.25Å
152N73.8Confident70.2Confident104 Ų10462.4 Ų62.456%0.55633%0.328SS*.Hα-helixtrans-65.6-39.2177-69.9-17.8000112.5G148 L149 L150 S156G148-N152 WeakPolarHBondContact O-CB 2.96Å; G148-N152 PolarHBondContact O-N 2.88Å; G148-N152 PolarHBondContact O-ND2 3.34Å; G148-N152 PolarHBondContact O-OD1 2.97Å; L149-N152 CarbonylContact O-C 3.57Å; L149-N152 PolarHBondContact O-N 3.47Å; L149-N152 VanDerWaalsContact O-N 3.15Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 3.4Å; N152-S156 WeakPolarHBondContact O-CB 3.36Å; N152-S156 PolarHBondContact O-N 3.46Å
153M74.3Confident71.1Confident5 Ų562.2 Ų62.23%0.02532%0.321CS..Hα-helixtrans-66.5-47.8176.9-74.1175.258.100111.3T135 L138 Y140 L149 L150 L155 S156 L157T135-M153 HydrophobicContact CG2-CE 3.52Å; T135-M153 HydrophobicContact CG2-SD 3.49Å; T135-M153 WeakPolarHBondContact CG2-SD 3.43Å; L138-M153 HydrophobicContact CB-CE 4.06Å; L138-M153 HydrophobicContact CD1-CE 3.41Å; L138-M153 VanDerWaalsContact CD1-CE 3.41Å; L138-M153 HydrophobicContact CG-CE 4.39Å; Y140-M153 HydrophobicContact CD1-CE 4.37Å; Y140-M153 HydrophobicContact CD1-SD 4.32Å; Y140-M153 HydrophobicContact CD2-CE 3.19Å; Y140-M153 HydrophobicContact CD2-SD 4.16Å; Y140-M153 HydrophobicContact CE2-CE 3.62Å; Y140-M153 HydrophobicContact CG-CE 3.61Å; Y140-M153 HydrophobicContact CG-SD 4.03Å; L149-M153 HydrophobicContact CD1-CG 4.24Å; L149-M153 HydrophobicContact CD1-SD 4.3Å; L149-M153 HydrophobicContact CD2-SD 4.01Å; L149-M153 HydrophobicContact CG-CG 4.13Å; L149-M153 HydrophobicContact CG-SD 3.74Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 VanDerWaalsContact O-CG 3.24Å; L149-M153 WeakPolarHBondContact O-CG 3.33Å; L149-M153 PolarHBondContact O-N 3.33Å; L150-M153 WeakPolarHBondContact O-CB 3.01Å; L150-M153 PolarHBondContact O-N 3.5Å; L150-M153 VanDerWaalsContact O-N 3.12Å; M153-L155 PolarHBondContact O-N 2.91Å; M153-S156 WeakPolarHBondContact O-CB 3.41Å; M153-S156 PolarHBondContact O-N 2.9Å; M153-L157 WeakPolarHBondContact O-CB 3.31Å; M153-L157 WeakPolarHBondContact O-CG 3.46Å; M153-L157 PolarHBondContact O-N 2.92Å
154V83.8Confident71.7Confident1 Ų155.6 Ų55.61%0.00629%0.287CS..Hα-helixtrans-57.3-49.7174.5163.50000110.2F134 L150 S156 L157 A158 D195 V196 P198 L199F134-V154 HydrophobicContact CE1-CG2 4.05Å; F134-V154 HydrophobicContact CZ-CG2 4.35Å; L150-V154 HydrophobicContact CD1-CG2 3.93Å; L150-V154 HydrophobicContact CG-CG2 4.31Å; L150-V154 WeakPolarHBondContact O-CB 3.48Å; L150-V154 WeakPolarHBondContact O-CG2 3.35Å; L150-V154 PolarHBondContact O-N 2.96Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.33Å; V154-L157 PolarHBondContact O-N 3.3Å; V154-A158 WeakPolarHBondContact O-CB 3.31Å; V154-A158 PolarHBondContact O-N 2.75Å; V154-D195 VanDerWaalsContact CG1-O 3.22Å; V154-D195 WeakPolarHBondContact CG1-O 3.35Å; V154-V196 HydrophobicContact CG2-CG2 4.49Å; V154-P198 HydrophobicContact CG1-CB 4.08Å; V154-P198 HydrophobicContact CG1-CG 4.25Å; V154-L199 HydrophobicContact CG1-CB 3.86Å
155L85.2Confident71.9Confident77 Ų7755.6 Ų55.640%0.40328%0.284SS..Hα-helixtrans-63.6-38178.3-70.5173.2000112.2K151 M153 S159 P198K151-L155 HydrophobicContact CG-CD1 3.98Å; K151-L155 HydrophobicContact CG-CG 4.49Å; K151-L155 VanDerWaalsContact O-CB 3.3Å; K151-L155 WeakPolarHBondContact O-CB 3.45Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.25Å; M153-L155 PolarHBondContact O-N 2.91Å; L155-S159 VanDerWaalsContact O-CB 3.29Å; L155-S159 WeakPolarHBondContact O-CB 3.27Å; L155-S159 PolarHBondContact O-N 2.99Å; L155-S159 PolarHBondContact O-OG 3.42Å; L155-P198 HydrophobicContact CD2-CB 4.28Å; L155-P198 HydrophobicContact CD2-CG 4.4Å
156S80.4Confident72.2Confident58 Ų5859.7 Ų59.741%0.40631%0.308SS..Hα-helixtrans-63.4-48.7175.5-173.10000111.2N152 M153 V154 S159 E160N152-S156 WeakPolarHBondContact O-CB 3.36Å; N152-S156 PolarHBondContact O-N 3.46Å; M153-S156 WeakPolarHBondContact O-CB 3.41Å; M153-S156 PolarHBondContact O-N 2.9Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.33Å; S156-S159 PolarHBondContact O-N 3.27Å; S156-S159 PolarHBondContact O-OG 3.48Å; S156-E160 PolarHBondContact O-N 2.81Å
157L84.2Confident71.9Confident2 Ų254.1 Ų54.11%0.0129%0.291CS..Hα-helixtrans-65.5-42.5178.1-69.8167.1000111.9F134 L138 M153 V154 S159 E160 L161 M175 L183 L199F134-L157 HydrophobicContact CZ-CD1 4.45Å; L138-L157 HydrophobicContact CD1-CD1 3.5Å; L138-L157 VanDerWaalsContact CD1-CD1 3.5Å; L138-L157 HydrophobicContact CD2-CD1 3.5Å; L138-L157 VanDerWaalsContact CD2-CD1 3.5Å; L138-L157 HydrophobicContact CD2-CD2 4.26Å; L138-L157 HydrophobicContact CG-CD1 4.12Å; M153-L157 WeakPolarHBondContact O-CB 3.31Å; M153-L157 WeakPolarHBondContact O-CG 3.46Å; M153-L157 PolarHBondContact O-N 2.92Å; V154-L157 PolarHBondContact O-N 3.3Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 3.34Å; L157-E160 PolarHBondContact O-N 3.41Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.39Å; L157-L161 PolarHBondContact O-N 2.85Å; L157-M175 HydrophobicContact CD2-CE 4.1Å; L157-L183 HydrophobicContact CD1-CD2 4.32Å; L157-L183 HydrophobicContact CD2-CD1 4.43Å; L157-L199 HydrophobicContact CB-CD1 3.93Å; L157-L199 HydrophobicContact CD1-CD2 4.31Å
158A87.3Confident71.6Confident1 Ų151 Ų511%0.00828%0.275CS..Hα-helixtrans-60.5-39174.300000111.1V154 R162 P198 A202V154-A158 WeakPolarHBondContact O-CB 3.31Å; V154-A158 PolarHBondContact O-N 2.75Å; A158-R162 WeakPolarHBondContact O-CB 3.42Å; A158-R162 WeakPolarHBondContact O-CG 3.39Å; A158-R162 PolarHBondContact O-N 3.44Å; A158-P198 HydrophobicContact CB-CB 4.42Å; A158-P198 WeakPolarHBondContact CB-O 3.28Å; A158-A202 HydrophobicContact CB-CB 3.85Å
159S85.2Confident70.7Confident55 Ų5558.7 Ų58.739%0.38530%0.298SS..Hα-helixtrans-66.9-41.4174.876.90000112.3L155 S156 L157 L161 R162 E163L155-S159 VanDerWaalsContact O-CB 3.29Å; L155-S159 WeakPolarHBondContact O-CB 3.27Å; L155-S159 PolarHBondContact O-N 2.99Å; L155-S159 PolarHBondContact O-OG 3.42Å; S156-S159 PolarHBondContact O-N 3.27Å; S156-S159 PolarHBondContact O-OG 3.48Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 3.34Å; S159-L161 PolarHBondContact O-N 2.98Å; S159-R162 PolarHBondContact O-N 3.31Å; S159-E163 WeakPolarHBondContact O-CG 3.39Å; S159-E163 PolarHBondContact O-N 3.14Å
160E82Confident69.8Low43 Ų4361.1 Ų61.120%0.20131%0.311CS..Hα-helixtrans-62.1-44176.1-167.4-178.9169.600110.8S156 L157 E163 N164 M175 R179S156-E160 PolarHBondContact O-N 2.81Å; L157-E160 PolarHBondContact O-N 3.41Å; E160-E163 PolarHBondContact O-N 2.91Å; E160-N164 VanDerWaalsContact O-CG 3.3Å; E160-N164 PolarHBondContact O-N 3.43Å; E160-N164 PolarHBondContact O-ND2 3.32Å; E160-N164 PolarHBondContact O-OD1 2.74Å; E160-M175 HydrophobicContact CB-CE 4.17Å; E160-M175 HydrophobicContact CG-CE 3.89Å; E160-M175 WeakPolarHBondContact OE2-CE 2.85Å; E160-R179 IonicContact OE1-CZ 2.96Å; E160-R179 IonicContact OE1-NH1 3.86Å; E160-R179 PolarHBondContact OE1-NH1 3.48Å; E160-R179 IonicContact OE1-NH2 2.78Å; E160-R179 IonicContact OE2-CZ 3.03Å; E160-R179 IonicContact OE2-NH1 3.77Å; E160-R179 PolarHBondContact OE2-NH1 2.94Å; E160-R179 IonicContact OE2-NH2 3.21Å; E160-R179 PolarHBondContact OE2-NH2 3.14Å
161L83.5Confident68.9Low1 Ų166.3 Ų66.31%0.00534%0.343CS..Hα-helixtrans-65.3-40174.6-72169.9000112.5L157 S159 N164 H165 M175 V180 L199 A202 L203 C206L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.39Å; L157-L161 PolarHBondContact O-N 2.85Å; S159-L161 PolarHBondContact O-N 2.98Å; L161-N164 VanDerWaalsContact O-CB 3.29Å; L161-N164 WeakPolarHBondContact O-CB 3.4Å; L161-N164 PolarHBondContact O-N 2.69Å; L161-H165 PolarHBondContact O-N 2.64Å; L161-M175 HydrophobicContact CD2-CE 4.29Å; L161-M175 HydrophobicContact CD2-SD 3.85Å; L161-M175 HydrophobicContact CG-CE 4.3Å; L161-M175 HydrophobicContact CG-SD 4.47Å; L161-V180 HydrophobicContact CD2-CG1 4.41Å; L161-V180 HydrophobicContact CD2-CG2 3.97Å; L161-L199 HydrophobicContact CD1-CD1 3.52Å; L161-A202 HydrophobicContact CB-CB 4Å; L161-A202 HydrophobicContact CD1-CB 4.01Å; L161-L203 HydrophobicContact CD1-CD2 3.73Å; L161-L203 HydrophobicContact CD1-CG 3.91Å; L161-L203 HydrophobicContact CD2-CD2 4.4Å; L161-C206 HydrophobicContact CB-CB 4.48Å; L161-C206 HydrophobicContact CD2-CB 4.31Å
162R79.1Confident67.6Low100 Ų10070.1 Ų70.138%0.37736%0.363SS..Hα-helixtrans-69.3-34176.3-74.3170.5175.8172.4-1.6112.2A158 S159 N164 H165 L166 E201 A202A158-R162 WeakPolarHBondContact O-CB 3.42Å; A158-R162 WeakPolarHBondContact O-CG 3.39Å; A158-R162 PolarHBondContact O-N 3.44Å; S159-R162 PolarHBondContact O-N 3.31Å; R162-N164 VanDerWaalsContact C-N 3.27Å; R162-N164 PolarHBondContact O-N 2.65Å; R162-H165 WeakPolarHBondContact O-CB 3.31Å; R162-H165 PolarHBondContact O-N 3.21Å; R162-H165 VanDerWaalsContact O-N 3.16Å; R162-L166 PolarHBondContact O-N 2.78Å; R162-L166 VanDerWaalsContact O-N 3.14Å; R162-E201 IonicContact CZ-OE1 2.7Å; R162-E201 IonicContact NH2-OE1 3.29Å; R162-E201 PolarHBondContact NH2-OE1 3.49Å; R162-E201 IonicContact NH2-OE2 3.37Å; R162-A202 HydrophobicContact CG-CB 4.46Å
163E71.6Confident66.6Low66 Ų6673.4 Ų73.431%0.30837%0.367SS..Hα-helixtrans-63.1-34.2172.2-78-170.7-168.800111.6S159 E160 H165 L166 N167 R173S159-E163 WeakPolarHBondContact O-CG 3.39Å; S159-E163 PolarHBondContact O-N 3.14Å; E160-E163 PolarHBondContact O-N 2.91Å; E163-H165 VanDerWaalsContact C-N 3.25Å; E163-H165 PolarHBondContact O-N 3.32Å; E163-L166 PolarHBondContact O-N 3.34Å; E163-N167 PolarHBondContact O-N 3.32Å; E163-R173 IonicContact OE1-NH1 3.97Å; E163-R173 VanDerWaalsContact OE2-CD 3.31Å; E163-R173 WeakPolarHBondContact OE2-CD 3.36Å; E163-R173 IonicContact OE2-NH1 3.64Å; E163-R173 PolarHBondContact OE2-NH1 2.93Å
164N61.9Low66.1Low26 Ų2676.9 Ų76.914%0.13938%0.38CS..Hα-helixtrans-60-36.9173.5-61.8-29.2000112.2E160 L161 R162 R174 M175E160-N164 VanDerWaalsContact O-CG 3.3Å; E160-N164 PolarHBondContact O-N 3.43Å; E160-N164 PolarHBondContact O-ND2 3.32Å; E160-N164 PolarHBondContact O-OD1 2.74Å; L161-N164 VanDerWaalsContact O-CB 3.29Å; L161-N164 WeakPolarHBondContact O-CB 3.4Å; L161-N164 PolarHBondContact O-N 2.69Å; R162-N164 VanDerWaalsContact C-N 3.27Å; R162-N164 PolarHBondContact O-N 2.65Å; N164-R174 VanDerWaalsContact OD1-CA 3.24Å; N164-R174 WeakPolarHBondContact OD1-CA 3.41Å; N164-M175 WeakPolarHBondContact ND2-CB 3.43Å; N164-M175 PolarHBondContact OD1-N 3.23Å
165H55.4Low65.5Low103 Ų10377.4 Ų77.448%0.47738%0.383SS..Hα-helixtrans-73.7-41.5178.8179.7-84.2000112.5L161 R162 E163L161-H165 PolarHBondContact O-N 2.64Å; R162-H165 WeakPolarHBondContact O-CB 3.31Å; R162-H165 PolarHBondContact O-N 3.21Å; R162-H165 VanDerWaalsContact O-N 3.16Å; E163-H165 VanDerWaalsContact C-N 3.25Å; E163-H165 PolarHBondContact O-N 3.32Å
166L53.6Low65.2Low130 Ų13076 Ų7668%0.68138%0.383SS*.Hα-helixtrans-82.2-30.5-170.5-69.1167000114.3R162 E163R162-L166 PolarHBondContact O-N 2.78Å; R162-L166 VanDerWaalsContact O-N 3.14Å; E163-L166 PolarHBondContact O-N 3.34Å
167N46.3Very low65.2Low72 Ų7275.1 Ų75.139%0.38538%0.375SS..  trans-110.871.3-168.6-74.9-32000113.2E163 F169 N170 R174E163-N167 PolarHBondContact O-N 3.32Å; N167-F169 PolarHBondContact O-N 3.45Å; N167-N170 HydrophobicContact CB-CB 4.16Å; N167-N170 PolarHBondContact O-N 2.87Å; N167-N170 VanDerWaalsContact O-N 3.13Å; N167-R174 PolarHBondContact O-NH2 2.87Å
168G47.8Very low65Low24 Ų2481.3 Ų81.325%0.24740%0.404CS..THydrogen-bonded Turntrans-50.9-12.8175.800000116.4R174 R209G168-R174 PolarHBondContact O-NH2 2.9Å; G168-R209 VanDerWaalsContact C-NH2 3.34Å; G168-R209 PolarHBondContact O-NH2 3.49Å
169F42.9Very low64.6Low199 Ų19986 Ų8687%0.87342%0.421SS*.THydrogen-bonded Turntrans-113.3-12-176.4-61.9-79.7000115.5N167N167-F169 PolarHBondContact O-N 3.45Å
170N46.5Very low64.6Low96 Ų9683.7 Ų83.751%0.51341%0.405SS..  trans-98.1100.7-180-73.5-27000110.7N167N167-N170 HydrophobicContact CB-CB 4.16Å; N167-N170 PolarHBondContact O-N 2.87Å; N167-N170 VanDerWaalsContact O-N 3.13Å
171T49Very low64.8Low115 Ų11582.6 Ų82.671%0.70640%0.403SS*.  trans-75.2-21.3176.536.90000113.5R173T171-R173 PolarHBondContact O-N 3.5Å
172Q45.9Very low64.6Low195 Ų19584.8 Ų84.891%0.91142%0.419SS*.THydrogen-bonded Turntrans-78.5-14.6-171.1-77-177.3-17.500116.1
173R52.7Low64.8Low172 Ų17280.3 Ų80.365%0.64940%0.403SS*.THydrogen-bonded Turntrans-114.511.9-179.9-76.9-168.9-167.8-178.11.6114.2E163 T171 M175E163-R173 IonicContact OE1-NH1 3.97Å; E163-R173 VanDerWaalsContact OE2-CD 3.31Å; E163-R173 WeakPolarHBondContact OE2-CD 3.36Å; E163-R173 IonicContact OE2-NH1 3.64Å; E163-R173 PolarHBondContact OE2-NH1 2.93Å; T171-R173 PolarHBondContact O-N 3.5Å; R173-M175 PolarHBondContact O-N 3.09Å
174R63Low65.5Low79 Ų7977.2 Ų77.230%0.29839%0.388SS..PPolyproline II helixtrans-77.4129.4-177.4-73.4-171.2-171.8167.48.1111.7N164 N167 G168 A176N164-R174 VanDerWaalsContact OD1-CA 3.24Å; N164-R174 WeakPolarHBondContact OD1-CA 3.41Å; N167-R174 PolarHBondContact O-NH2 2.87Å; G168-R174 PolarHBondContact O-NH2 2.9Å; R174-A176 PolarHBondContact O-N 3.33Å
175M72.6Confident66.4Low12 Ų1279.1 Ų79.16%0.05939%0.393CS..PPolyproline II helixtrans-65129.1167.6-166.8177.5-71.100109.1L157 E160 L161 N164 R173 R179 V180 L183L157-M175 HydrophobicContact CD2-CE 4.1Å; E160-M175 HydrophobicContact CB-CE 4.17Å; E160-M175 HydrophobicContact CG-CE 3.89Å; E160-M175 WeakPolarHBondContact OE2-CE 2.85Å; L161-M175 HydrophobicContact CD2-CE 4.29Å; L161-M175 HydrophobicContact CD2-SD 3.85Å; L161-M175 HydrophobicContact CG-CE 4.3Å; L161-M175 HydrophobicContact CG-SD 4.47Å; N164-M175 WeakPolarHBondContact ND2-CB 3.43Å; N164-M175 PolarHBondContact OD1-N 3.23Å; R173-M175 PolarHBondContact O-N 3.09Å; M175-R179 HydrophobicContact CG-CB 3.83Å; M175-R179 HydrophobicContact CG-CG 3.78Å; M175-R179 HydrophobicContact SD-CB 4.36Å; M175-R179 HydrophobicContact SD-CG 3.89Å; M175-V180 HydrophobicContact CB-CG2 4.04Å; M175-V180 HydrophobicContact CG-CG2 3.83Å; M175-V180 HydrophobicContact SD-CG2 3.72Å; M175-L183 HydrophobicContact CE-CD1 3.73Å; M175-L183 HydrophobicContact SD-CD1 3.31Å; M175-L183 WeakPolarHBondContact SD-CD1 3.46Å; M175-L183 HydrophobicContact SD-CG 4.46Å
176A78.2Confident67.4Low48 Ų4875.2 Ų75.240%0.39738%0.377SS..PPolyproline II helixtrans-62.1143.5178.100000110.9R174 E178 R179 V180R174-A176 PolarHBondContact O-N 3.33Å; A176-E178 WeakPolarHBondContact CB-OE2 3.21Å; A176-E178 PolarHBondContact O-N 3.18Å; A176-R179 WeakPolarHBondContact O-CA 3.35Å; A176-R179 WeakPolarHBondContact O-CB 3.29Å; A176-R179 PolarHBondContact O-N 3.46Å; A176-V180 PolarHBondContact O-N 2.98Å; A176-V180 VanDerWaalsContact O-N 3.08Å
177P79.8Confident68.8Low39 Ų3969 Ų6925%0.25334%0.344SS..Hα-helixtrans-51.4-40.1179.4-25.833.5000113.2R179 V180 A181 E210 I214P177-R179 VanDerWaalsContact C-N 3.29Å; P177-R179 PolarHBondContact O-N 3.21Å; P177-V180 PolarHBondContact O-N 2.95Å; P177-A181 WeakPolarHBondContact O-CB 3.26Å; P177-A181 PolarHBondContact O-N 3.06Å; P177-E210 VanDerWaalsContact CG-OE1 3.29Å; P177-E210 WeakPolarHBondContact CG-OE1 3.44Å; P177-I214 HydrophobicContact CB-CD1 4.18Å; P177-I214 HydrophobicContact CB-CG2 4.24Å; P177-I214 VanDerWaalsContact O-CG2 3.28Å; P177-I214 WeakPolarHBondContact O-CG2 3.35Å
178E80.2Confident70.5Confident132 Ų13266.4 Ų66.462%0.61733%0.331SS*.Hα-helixtrans-65.4-33.3179.7-55.879.9-175.500112.1A176 S182A176-E178 WeakPolarHBondContact CB-OE2 3.21Å; A176-E178 PolarHBondContact O-N 3.18Å; E178-S182 VanDerWaalsContact O-CB 3.3Å; E178-S182 WeakPolarHBondContact O-CB 3.45Å; E178-S182 PolarHBondContact O-N 3Å; E178-S182 PolarHBondContact O-OG 3.28Å
179R80.3Confident71.7Confident98 Ų9865.3 Ų65.337%0.3732%0.319SS..Hα-helixtrans-72.9-39.9175.4-174.7170.3169.7-134.1-9.2110.6E160 M175 A176 P177 S182 L183E160-R179 IonicContact OE1-CZ 2.96Å; E160-R179 IonicContact OE1-NH1 3.86Å; E160-R179 PolarHBondContact OE1-NH1 3.48Å; E160-R179 IonicContact OE1-NH2 2.78Å; E160-R179 IonicContact OE2-CZ 3.03Å; E160-R179 IonicContact OE2-NH1 3.77Å; E160-R179 PolarHBondContact OE2-NH1 2.94Å; E160-R179 IonicContact OE2-NH2 3.21Å; E160-R179 PolarHBondContact OE2-NH2 3.14Å; M175-R179 HydrophobicContact CG-CB 3.83Å; M175-R179 HydrophobicContact CG-CG 3.78Å; M175-R179 HydrophobicContact SD-CB 4.36Å; M175-R179 HydrophobicContact SD-CG 3.89Å; A176-R179 WeakPolarHBondContact O-CA 3.35Å; A176-R179 WeakPolarHBondContact O-CB 3.29Å; A176-R179 PolarHBondContact O-N 3.46Å; P177-R179 VanDerWaalsContact C-N 3.29Å; P177-R179 PolarHBondContact O-N 3.21Å; R179-S182 PolarHBondContact O-N 3.43Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 VanDerWaalsContact O-CG 3.28Å; R179-L183 WeakPolarHBondContact O-CG 3.44Å; R179-L183 PolarHBondContact O-N 3.13Å
180V85.3Confident73.4Confident7 Ų756.3 Ų56.34%0.04228%0.28CS..Hα-helixtrans-62.7-45.1173.5179.60000110.9L161 M175 A176 P177 S182 L183 S184 L203 I214 L215L161-V180 HydrophobicContact CD2-CG1 4.41Å; L161-V180 HydrophobicContact CD2-CG2 3.97Å; M175-V180 HydrophobicContact CB-CG2 4.04Å; M175-V180 HydrophobicContact CG-CG2 3.83Å; M175-V180 HydrophobicContact SD-CG2 3.72Å; A176-V180 PolarHBondContact O-N 2.98Å; A176-V180 VanDerWaalsContact O-N 3.08Å; P177-V180 PolarHBondContact O-N 2.95Å; V180-S182 PolarHBondContact O-N 3.31Å; V180-L183 WeakPolarHBondContact O-CB 3.49Å; V180-L183 PolarHBondContact O-N 3.24Å; V180-S184 PolarHBondContact O-N 3.45Å; V180-L203 HydrophobicContact CG1-CD2 4.14Å; V180-I214 HydrophobicContact CB-CG2 3.85Å; V180-I214 HydrophobicContact CG1-CG2 3.88Å; V180-L215 HydrophobicContact CG1-CD2 3.78Å
181A84.9Confident75.2Confident20 Ų2052.1 Ų52.117%0.16526%0.258CS..Hα-helixtrans-60.3-45.4175.300000111.5P177 L183 S184 R185 I214P177-A181 WeakPolarHBondContact O-CB 3.26Å; P177-A181 PolarHBondContact O-N 3.06Å; A181-L183 PolarHBondContact O-N 3.03Å; A181-S184 PolarHBondContact O-N 2.96Å; A181-S184 PolarHBondContact O-OG 3.14Å; A181-R185 PolarHBondContact O-N 3.43Å; A181-I214 HydrophobicContact CB-CG2 4.31Å; A181-I214 WeakPolarHBondContact CB-O 3.3Å
182S78.9Confident76.7Confident47 Ų4749 Ų4933%0.32924%0.238SC..Hα-helixtrans-62.1-42.8177-63.10000112.4E178 R179 V180 S184 R185 V186E178-S182 VanDerWaalsContact O-CB 3.3Å; E178-S182 WeakPolarHBondContact O-CB 3.45Å; E178-S182 PolarHBondContact O-N 3Å; E178-S182 PolarHBondContact O-OG 3.28Å; R179-S182 PolarHBondContact O-N 3.43Å; V180-S182 PolarHBondContact O-N 3.31Å; S182-S184 VanDerWaalsContact C-N 3.35Å; S182-S184 PolarHBondContact O-N 3.34Å; S182-R185 PolarHBondContact O-N 2.96Å; S182-V186 WeakPolarHBondContact O-CG2 3.18Å; S182-V186 PolarHBondContact O-N 2.86Å
183L83.3Confident78.4Confident7 Ų741 Ų414%0.03720%0.202CC..Hα-helixtrans-58.9-45.8174.1-75.4177.5000111.5L138 L157 M175 R179 V180 A181 R185 V186 C187 L203L138-L183 HydrophobicContact CD2-CD2 3.16Å; L157-L183 HydrophobicContact CD1-CD2 4.32Å; L157-L183 HydrophobicContact CD2-CD1 4.43Å; M175-L183 HydrophobicContact CE-CD1 3.73Å; M175-L183 HydrophobicContact SD-CD1 3.31Å; M175-L183 WeakPolarHBondContact SD-CD1 3.46Å; M175-L183 HydrophobicContact SD-CG 4.46Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 VanDerWaalsContact O-CG 3.28Å; R179-L183 WeakPolarHBondContact O-CG 3.44Å; R179-L183 PolarHBondContact O-N 3.13Å; V180-L183 WeakPolarHBondContact O-CB 3.49Å; V180-L183 PolarHBondContact O-N 3.24Å; A181-L183 PolarHBondContact O-N 3.03Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 3.41Å; L183-V186 PolarHBondContact O-N 3.27Å; L183-C187 WeakPolarHBondContact O-CB 3.32Å; L183-C187 PolarHBondContact O-N 3.26Å; L183-C187 PolarHBondContact O-SG 3.21Å; L183-L203 HydrophobicContact CB-CD2 4.26Å
184S87.5Confident79.8Confident0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-57.1-43.5-18078.30000111.9V180 A181 S182 C187 V188 Q216 F219V180-S184 PolarHBondContact O-N 3.45Å; A181-S184 PolarHBondContact O-N 2.96Å; A181-S184 PolarHBondContact O-OG 3.14Å; S182-S184 VanDerWaalsContact C-N 3.35Å; S182-S184 PolarHBondContact O-N 3.34Å; S184-C187 PolarHBondContact O-N 3.02Å; S184-V188 WeakPolarHBondContact O-CG2 3.41Å; S184-V188 PolarHBondContact O-N 3.37Å; S184-Q216 PolarHBondContact OG-N 2.87Å; S184-F219 VanDerWaalsContact O-CD2 3.22Å; S184-F219 WeakPolarHBondContact O-CD2 3.43Å
185R81.3Confident80.6Confident67 Ų6737.2 Ų37.225%0.25320%0.204SC..Hα-helixtrans-69.2-41.4178.2-177.217452.2175.9-5.4113.1A181 S182 L183 C187 V188 Q216A181-R185 PolarHBondContact O-N 3.43Å; S182-R185 PolarHBondContact O-N 2.96Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 3.41Å; R185-C187 PolarHBondContact O-N 3.18Å; R185-V188 WeakPolarHBondContact O-CG2 3.34Å; R185-V188 PolarHBondContact O-N 3.33Å; R185-Q216 HydrophobicContact CB-CG 4.35Å
186V75.4Confident81.2Confident21 Ų2136.7 Ų36.713%0.12720%0.202CC..Hα-helixtrans-66.8-29.6177.5170.30000111.2F134 S182 L183 P189F134-V186 HydrophobicContact CD2-CG1 3.69Å; F134-V186 HydrophobicContact CE2-CG1 4.13Å; S182-V186 WeakPolarHBondContact O-CG2 3.18Å; S182-V186 PolarHBondContact O-N 2.86Å; L183-V186 PolarHBondContact O-N 3.27Å; V186-P189 WeakPolarHBondContact O-CD 3.39Å; V186-P189 WeakPolarHBondContact O-CG 3.27Å
187C82.4Confident81.8Confident0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-74.4-24.5178.8-68.80000113.8L183 S184 R185 L190 I191 L199 L203 F219L183-C187 WeakPolarHBondContact O-CB 3.32Å; L183-C187 PolarHBondContact O-N 3.26Å; L183-C187 PolarHBondContact O-SG 3.21Å; S184-C187 PolarHBondContact O-N 3.02Å; R185-C187 PolarHBondContact O-N 3.18Å; C187-L190 CarbonylContact O-C 3.27Å; C187-L190 WeakPolarHBondContact O-CA 3.29Å; C187-L190 PolarHBondContact O-N 3.01Å; C187-I191 WeakPolarHBondContact O-CG2 3.35Å; C187-I191 PolarHBondContact O-N 3.39Å; C187-L199 VanDerWaalsContact SG-CD2 3.55Å; C187-L203 HydrophobicContact CB-CD1 4.34Å; C187-F219 HydrophobicContact CB-CD2 4.26Å; C187-F219 HydrophobicContact CB-CE2 3.92Å
188V82.3Confident82.4Confident16 Ų1635.6 Ų35.610%0.09719%0.189CC..G310 helixtrans-46.7-50.4-177.6-178.50000113.5S184 R185 L190 F219 A222S184-V188 WeakPolarHBondContact O-CG2 3.41Å; S184-V188 PolarHBondContact O-N 3.37Å; R185-V188 WeakPolarHBondContact O-CG2 3.34Å; R185-V188 PolarHBondContact O-N 3.33Å; V188-L190 PolarHBondContact O-N 2.91Å; V188-F219 HydrophobicContact CG2-CB 4.14Å; V188-F219 HydrophobicContact CG2-CD2 4.46Å; V188-A222 HydrophobicContact CG1-CB 3.87Å
189P73.3Confident82.9Confident2 Ų229.3 Ų29.31%0.01316%0.16CC..G310 helixtrans-66.3-20.9175.820.4-31.7000115.6F79 A82 Y83 V186F79-P189 HydrophobicContact CD1-CG 4.37Å; A82-P189 HydrophobicContact CB-CB 3.92Å; Y83-P189 HydrophobicContact CD2-CB 4.17Å; Y83-P189 HydrophobicContact CE1-CB 4.37Å; Y83-P189 HydrophobicContact CE2-CB 3.42Å; Y83-P189 VanDerWaalsContact CE2-CB 3.42Å; Y83-P189 VanDerWaalsContact OH-CA 3.27Å; Y83-P189 WeakPolarHBondContact OH-CA 3.43Å; Y83-P189 WeakPolarHBondContact OH-CB 3.33Å; Y83-P189 WeakPolarHBondContact OH-CD 3.3Å; V186-P189 WeakPolarHBondContact O-CD 3.39Å; V186-P189 WeakPolarHBondContact O-CG 3.27Å
190L78.7Confident83.5Confident9 Ų924.7 Ų24.75%0.04714%0.142CC..G310 helixtrans-107.1-2.8-167.4-55.1172.9000112.9A82 F134 C187 V188 T192 L193 V196A82-L190 HydrophobicContact CB-CD2 4.21Å; F134-L190 HydrophobicContact CB-CD1 3.72Å; F134-L190 HydrophobicContact CD2-CD1 3.15Å; F134-L190 HydrophobicContact CE2-CD1 3.87Å; F134-L190 HydrophobicContact CG-CD1 3.61Å; C187-L190 CarbonylContact O-C 3.27Å; C187-L190 WeakPolarHBondContact O-CA 3.29Å; C187-L190 PolarHBondContact O-N 3.01Å; V188-L190 PolarHBondContact O-N 2.91Å; L190-T192 PolarHBondContact O-N 3.39Å; L190-T192 VanDerWaalsContact O-N 3.1Å; L190-L193 HydrophobicContact CB-CD1 4.14Å; L190-L193 HydrophobicContact CD2-CD1 3.73Å; L190-L193 VanDerWaalsContact O-CB 3.28Å; L190-L193 WeakPolarHBondContact O-CB 3.45Å; L190-L193 WeakPolarHBondContact O-CG 3.41Å; L190-L193 PolarHBondContact O-N 3.37Å; L190-V196 HydrophobicContact CB-CG1 4.42Å; L190-V196 HydrophobicContact CB-CG2 4.23Å
191I84.7Confident84Confident8 Ų826.3 Ų26.34%0.04115%0.149CC..THydrogen-bonded Turntrans-58.4-28.9-17362.7174.7000113.1C187 L193 V200 F219 A222 V223 A226 I232C187-I191 WeakPolarHBondContact O-CG2 3.35Å; C187-I191 PolarHBondContact O-N 3.39Å; I191-L193 PolarHBondContact O-N 3.13Å; I191-V200 HydrophobicContact CB-CG2 4.43Å; I191-V200 HydrophobicContact CG2-CG2 4.2Å; I191-F219 HydrophobicContact CG2-CE2 4.25Å; I191-A222 HydrophobicContact CD1-CB 3.61Å; I191-A222 WeakPolarHBondContact CD1-O 3.23Å; I191-V223 HydrophobicContact CD1-CG2 4.5Å; I191-V223 HydrophobicContact CG2-CG2 4.05Å; I191-A226 HydrophobicContact CD1-CB 3.86Å; I191-A226 HydrophobicContact CG1-CB 4.47Å; I191-I232 WeakPolarHBondContact O-CG2 3.46Å
192T81.1Confident84.3Confident49 Ų4925.4 Ų25.430%0.30114%0.142SC..THydrogen-bonded Turntrans-81.4-3.5-179.956.20000113.1L190 K231L190-T192 PolarHBondContact O-N 3.39Å; L190-T192 VanDerWaalsContact O-N 3.1Å; T192-K231 HydrophobicContact CG2-CB 4.09Å; T192-K231 HydrophobicContact CG2-CD 4.28Å
193L79.8Confident85Confident29 Ų2923.1 Ų23.115%0.15213%0.126CC..  trans-84.1119.1175.8-57.4-177.9000109.6F127 L190 I191 D195 V196F127-L193 HydrophobicContact CE1-CD2 4.22Å; L190-L193 HydrophobicContact CB-CD1 4.14Å; L190-L193 HydrophobicContact CD2-CD1 3.73Å; L190-L193 VanDerWaalsContact O-CB 3.28Å; L190-L193 WeakPolarHBondContact O-CB 3.45Å; L190-L193 WeakPolarHBondContact O-CG 3.41Å; L190-L193 PolarHBondContact O-N 3.37Å; I191-L193 PolarHBondContact O-N 3.13Å; L193-D195 PolarHBondContact O-N 3.04Å; L193-D195 VanDerWaalsContact O-N 3.09Å; L193-V196 HydrophobicContact CB-CB 4.4Å; L193-V196 HydrophobicContact CB-CG2 3.91Å; L193-V196 HydrophobicContact CD1-CG2 4.43Å; L193-V196 WeakPolarHBondContact O-CA 3.26Å; L193-V196 WeakPolarHBondContact O-CB 3.49Å; L193-V196 PolarHBondContact O-N 3.15Å
194T83.2Confident85.4Confident106 Ų10622.8 Ų22.865%0.6513%0.125SC*.THydrogen-bonded Turntrans-57.9-29.1-177.454.40000113.7V196 D197T194-V196 PolarHBondContact O-N 2.98Å; T194-D197 PolarHBondContact O-N 3.48Å
195D79.6Confident85.5Confident64 Ų6424.5 Ų24.534%0.34213%0.133SC..THydrogen-bonded Turntrans-68.4-18.3176.4-75.6-34.3000113L150 V154 L193L150-D195 HydrophobicContact CD2-CB 4.12Å; V154-D195 VanDerWaalsContact CG1-O 3.22Å; V154-D195 WeakPolarHBondContact CG1-O 3.35Å; L193-D195 PolarHBondContact O-N 3.04Å; L193-D195 VanDerWaalsContact O-N 3.09Å
196V85.3Confident85.6Confident1 Ų121.8 Ų21.81%0.00612%0.124CC..THydrogen-bonded Turntrans-95.7-14.8-177.6-174.20000111.8V154 L190 L193 T194 P198 L199 V200V154-V196 HydrophobicContact CG2-CG2 4.49Å; L190-V196 HydrophobicContact CB-CG1 4.42Å; L190-V196 HydrophobicContact CB-CG2 4.23Å; L193-V196 HydrophobicContact CB-CB 4.4Å; L193-V196 HydrophobicContact CB-CG2 3.91Å; L193-V196 HydrophobicContact CD1-CG2 4.43Å; L193-V196 WeakPolarHBondContact O-CA 3.26Å; L193-V196 WeakPolarHBondContact O-CB 3.49Å; L193-V196 PolarHBondContact O-N 3.15Å; T194-V196 PolarHBondContact O-N 2.98Å; V196-P198 VanDerWaalsContact C-N 3.32Å; V196-P198 VanDerWaalsContact O-N 3.15Å; V196-L199 HydrophobicContact CG1-CB 4.43Å; V196-L199 WeakPolarHBondContact O-CA 3.26Å; V196-L199 WeakPolarHBondContact O-CB 3.36Å; V196-L199 PolarHBondContact O-N 3.19Å; V196-V200 HydrophobicContact CG1-CG2 4.16Å; V196-V200 PolarHBondContact O-N 3.5Å
197D90.6Very high85.4Confident31 Ų3125.4 Ų25.417%0.16614%0.14CC..Hα-helixtrans-46.2-45.1177.9-73.8-13.9000113.7T194 L199 V200 E201 L234T194-D197 PolarHBondContact O-N 3.48Å; D197-L199 VanDerWaalsContact C-N 3.26Å; D197-L199 PolarHBondContact O-N 3.43Å; D197-V200 PolarHBondContact O-N 3.28Å; D197-E201 WeakPolarHBondContact O-CB 3.19Å; D197-E201 PolarHBondContact O-N 3.06Å; D197-L234 HydrophobicContact CB-CD2 4.42Å
198P92.3Very high84.5Confident34 Ų3427 Ų2722%0.22116%0.156CC..Hα-helixtrans-62.6-31.1179-22.434.4000113.7V154 L155 A158 V196 A202V154-P198 HydrophobicContact CG1-CB 4.08Å; V154-P198 HydrophobicContact CG1-CG 4.25Å; L155-P198 HydrophobicContact CD2-CB 4.28Å; L155-P198 HydrophobicContact CD2-CG 4.4Å; A158-P198 HydrophobicContact CB-CB 4.42Å; A158-P198 WeakPolarHBondContact CB-O 3.28Å; V196-P198 VanDerWaalsContact C-N 3.32Å; V196-P198 VanDerWaalsContact O-N 3.15Å; P198-A202 VanDerWaalsContact O-CB 3.28Å; P198-A202 WeakPolarHBondContact O-CB 3.18Å; P198-A202 PolarHBondContact O-N 2.63Å; P198-A202 VanDerWaalsContact O-N 3.07Å
199L91.1Very high83.4Confident0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-77.5-41.7176.3176.760.2000111.1F134 V154 L157 L161 C187 V196 D197 E201 A202 L203F134-L199 HydrophobicContact CE2-CD2 4.22Å; F134-L199 HydrophobicContact CZ-CD2 3.69Å; V154-L199 HydrophobicContact CG1-CB 3.86Å; L157-L199 HydrophobicContact CB-CD1 3.93Å; L157-L199 HydrophobicContact CD1-CD2 4.31Å; L161-L199 HydrophobicContact CD1-CD1 3.52Å; C187-L199 VanDerWaalsContact SG-CD2 3.55Å; V196-L199 HydrophobicContact CG1-CB 4.43Å; V196-L199 WeakPolarHBondContact O-CA 3.26Å; V196-L199 WeakPolarHBondContact O-CB 3.36Å; V196-L199 PolarHBondContact O-N 3.19Å; D197-L199 VanDerWaalsContact C-N 3.26Å; D197-L199 PolarHBondContact O-N 3.43Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 3.25Å; L199-A202 PolarHBondContact O-N 2.81Å; L199-L203 HydrophobicContact CD1-CD1 4.4Å; L199-L203 HydrophobicContact CD1-CG 4.25Å; L199-L203 HydrophobicContact CG-CD1 4.2Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 WeakPolarHBondContact O-CG 3.38Å; L199-L203 PolarHBondContact O-N 3.36Å
200V93.2Very high83Confident0 Ų039.6 Ų39.60%021%0.206CC..Hα-helixtrans-58.2-48.1173.8176.20000110.2I191 V196 D197 A202 L203 L204 F219 V223 L234I191-V200 HydrophobicContact CB-CG2 4.43Å; I191-V200 HydrophobicContact CG2-CG2 4.2Å; V196-V200 HydrophobicContact CG1-CG2 4.16Å; V196-V200 PolarHBondContact O-N 3.5Å; D197-V200 PolarHBondContact O-N 3.28Å; V200-A202 PolarHBondContact O-N 3.21Å; V200-L203 PolarHBondContact O-N 3.11Å; V200-L204 HydrophobicContact CG1-CD1 4.13Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.31Å; V200-F219 HydrophobicContact CG1-CZ 4.06Å; V200-V223 HydrophobicContact CG1-CG1 4.24Å; V200-V223 HydrophobicContact CG1-CG2 3.84Å; V200-L234 HydrophobicContact CB-CD2 4.41Å; V200-L234 HydrophobicContact CG1-CD1 3.82Å; V200-L234 HydrophobicContact CG1-CD2 4.21Å
201E94.7Very high82.4Confident41 Ų4145.7 Ų45.719%0.19225%0.246CC..Hα-helixtrans-56.5-49174.6-171.8-156.312600111.4R162 D197 L199 L203 L204 I205 L234 P235 A238R162-E201 IonicContact CZ-OE1 2.7Å; R162-E201 IonicContact NH2-OE1 3.29Å; R162-E201 PolarHBondContact NH2-OE1 3.49Å; R162-E201 IonicContact NH2-OE2 3.37Å; D197-E201 WeakPolarHBondContact O-CB 3.19Å; D197-E201 PolarHBondContact O-N 3.06Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 3.25Å; E201-L203 PolarHBondContact O-N 2.92Å; E201-L204 PolarHBondContact O-N 2.98Å; E201-I205 HydrophobicContact CG-CD1 3.8Å; E201-I205 WeakPolarHBondContact O-CG1 3.1Å; E201-I205 PolarHBondContact O-N 3.37Å; E201-L234 HydrophobicContact CB-CD2 4.43Å; E201-P235 HydrophobicContact CG-CG 3.7Å; E201-A238 HydrophobicContact CG-CB 4.04Å
202A92.4Very high81.9Confident1 Ų152.7 Ų52.71%0.00828%0.279CS..Hα-helixtrans-63.6-38.3-179.600000112.7A158 L161 R162 P198 L199 V200 I205 C206A158-A202 HydrophobicContact CB-CB 3.85Å; L161-A202 HydrophobicContact CB-CB 4Å; L161-A202 HydrophobicContact CD1-CB 4.01Å; R162-A202 HydrophobicContact CG-CB 4.46Å; P198-A202 VanDerWaalsContact O-CB 3.28Å; P198-A202 WeakPolarHBondContact O-CB 3.18Å; P198-A202 PolarHBondContact O-N 2.63Å; P198-A202 VanDerWaalsContact O-N 3.07Å; L199-A202 PolarHBondContact O-N 2.81Å; V200-A202 PolarHBondContact O-N 3.21Å; A202-I205 PolarHBondContact O-N 3.32Å; A202-C206 WeakPolarHBondContact O-CB 3.37Å; A202-C206 PolarHBondContact O-N 2.97Å
203L92.5Very high82.1Confident0 Ų054.4 Ų54.40%028%0.283CS..Hα-helixtrans-62.9-46.9175-74.8168000111L161 V180 L183 C187 L199 V200 E201 I205 C206 L215 F219 R245L161-L203 HydrophobicContact CD1-CD2 3.73Å; L161-L203 HydrophobicContact CD1-CG 3.91Å; L161-L203 HydrophobicContact CD2-CD2 4.4Å; V180-L203 HydrophobicContact CG1-CD2 4.14Å; L183-L203 HydrophobicContact CB-CD2 4.26Å; C187-L203 HydrophobicContact CB-CD1 4.34Å; L199-L203 HydrophobicContact CD1-CD1 4.4Å; L199-L203 HydrophobicContact CD1-CG 4.25Å; L199-L203 HydrophobicContact CG-CD1 4.2Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 WeakPolarHBondContact O-CG 3.38Å; L199-L203 PolarHBondContact O-N 3.36Å; V200-L203 PolarHBondContact O-N 3.11Å; E201-L203 PolarHBondContact O-N 2.92Å; L203-I205 VanDerWaalsContact C-N 3.33Å; L203-I205 PolarHBondContact O-N 2.9Å; L203-C206 PolarHBondContact O-N 3.2Å; L203-L215 HydrophobicContact CB-CD1 4.4Å; L203-L215 HydrophobicContact CB-CD2 4.36Å; L203-L215 HydrophobicContact CD2-CD2 3.88Å; L203-L215 WeakPolarHBondContact O-CD1 3.34Å; L203-F219 HydrophobicContact CB-CE1 4.1Å; L203-F219 HydrophobicContact CB-CZ 3.89Å; L203-F219 HydrophobicContact CD1-CE2 3.9Å; L203-F219 HydrophobicContact CD1-CZ 3.74Å; L203-F219 HydrophobicContact CG-CZ 4.48Å; L203-R245 PolarHBondContact O-NH1 3.43Å
204L93.1Very high82.4Confident0 Ų054.1 Ų54.10%028%0.282CS..Hα-helixtrans-63.9-36.3179.4-68.2171.5000112.9V200 E201 F219 F220 V223 L234 A238 C241 L242 R245V200-L204 HydrophobicContact CG1-CD1 4.13Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.31Å; E201-L204 PolarHBondContact O-N 2.98Å; L204-F219 HydrophobicContact CD2-CE1 3.91Å; L204-F219 HydrophobicContact CG-CE1 4.28Å; L204-F220 HydrophobicContact CD2-CD1 3.99Å; L204-F220 HydrophobicContact CD2-CE1 3.99Å; L204-V223 HydrophobicContact CD1-CG1 4.04Å; L204-L234 HydrophobicContact CD1-CD1 3.71Å; L204-A238 HydrophobicContact CB-CB 4.37Å; L204-A238 HydrophobicContact CD1-CB 3.96Å; L204-C241 VanDerWaalsContact O-CB 3.26Å; L204-C241 WeakPolarHBondContact O-CB 3.37Å; L204-L242 HydrophobicContact CD2-CB 4.04Å; L204-L242 HydrophobicContact CD2-CD1 4.13Å; L204-R245 VanDerWaalsContact C-NH1 3.3Å; L204-R245 PolarHBondContact O-NH1 2.97Å
205I89.3Confident82.7Confident35 Ų3549.3 Ų49.318%0.17925%0.252CS..Hα-helixtrans-81.6-26.4178.5-64.2172.9000111.9E201 A202 L203 H207E201-I205 HydrophobicContact CG-CD1 3.8Å; E201-I205 WeakPolarHBondContact O-CG1 3.1Å; E201-I205 PolarHBondContact O-N 3.37Å; A202-I205 PolarHBondContact O-N 3.32Å; L203-I205 VanDerWaalsContact C-N 3.33Å; L203-I205 PolarHBondContact O-N 2.9Å; I205-H207 PolarHBondContact O-CD2 3.39Å; I205-H207 VanDerWaalsContact O-CD2 3.24Å; I205-H207 PolarHBondContact O-N 3.26Å
206C82.2Confident83Confident10 Ų1049.7 Ų49.77%0.06825%0.252CS..  trans-68.5100.8-179.3-176.90000110.5L161 A202 L203 R245L161-C206 HydrophobicContact CB-CB 4.48Å; L161-C206 HydrophobicContact CD2-CB 4.31Å; A202-C206 WeakPolarHBondContact O-CB 3.37Å; A202-C206 PolarHBondContact O-N 2.97Å; L203-C206 PolarHBondContact O-N 3.2Å; C206-R245 PolarHBondContact O-NH1 3.43Å; C206-R245 VanDerWaalsContact O-NH1 3.14Å; C206-R245 PolarHBondContact O-NH2 3.08Å
207H72.1Confident83.2Confident97 Ų9752.6 Ų52.645%0.44927%0.27SS..  trans-84.7121.5170.1-69.2-73.9000110.3I205I205-H207 PolarHBondContact O-CD2 3.39Å; I205-H207 VanDerWaalsContact O-CD2 3.24Å; I205-H207 PolarHBondContact O-N 3.26Å
208G62.5Low83.1Confident33 Ų3355.2 Ų55.234%0.3428%0.282SS..  trans-62.4153.516400000111.2I214G208-I214 VanDerWaalsContact CA-CD1 3.49Å
209R60.4Low83.1Confident180 Ų18053.6 Ų53.668%0.67927%0.271SS*.SBendtrans-80.1-6.5165.9-72.6-169.7175.4-168.4-7.2112.8G168G168-R209 VanDerWaalsContact C-NH2 3.34Å; G168-R209 PolarHBondContact O-NH2 3.49Å
210E64.4Low83.2Confident103 Ų10353.7 Ų53.748%0.48127%0.272SS..SBendtrans-76.1145.2-177.7-61.7-167.9169.400109.9P177 Q212P177-E210 VanDerWaalsContact CG-OE1 3.29Å; P177-E210 WeakPolarHBondContact CG-OE1 3.44Å; E210-Q212 PolarHBondContact O-N 2.85Å
211P65.1Low83.3Confident138 Ų13858.6 Ų58.690%0.89630%0.295SS*.SBendtrans-67.4-15.8177.627.8-34000112.5
212Q75Confident83.1Confident154 Ų15457.8 Ų57.872%0.7230%0.295SS*.SBendtrans-102.3148.7179.5-65.8-178.1-2.300110.7E210 I214E210-Q212 PolarHBondContact O-N 2.85Å; Q212-I214 PolarHBondContact O-N 3Å
213E85.7Confident83.2Confident85 Ų8557.7 Ų57.740%0.39729%0.294SS..  trans-68.6127.7175.9-177.448.3-94.100110.1L215 F220 R245E213-L215 PolarHBondContact OE1-N 3.43Å; E213-F220 HydrophobicContact CG-CE2 3.6Å; E213-F220 HydrophobicContact CG-CZ 3.97Å; E213-R245 VanDerWaalsContact CD-NH2 3.34Å; E213-R245 IonicContact OE1-CZ 2.99Å; E213-R245 IonicContact OE1-NE 3.59Å; E213-R245 IonicContact OE1-NH2 3.78Å; E213-R245 PolarHBondContact OE1-NH2 3.08Å; E213-R245 IonicContact OE2-CZ 2.64Å; E213-R245 IonicContact OE2-NE 3.31Å; E213-R245 PolarHBondContact OE2-NE 2.81Å; E213-R245 IonicContact OE2-NH2 3.27Å; E213-R245 PolarHBondContact OE2-NH2 3.44Å
214I86Confident83.4Confident23 Ų2357.8 Ų57.812%0.11830%0.295CS..  trans-87.2-33.3-175.1-60.5176.9000110.6P177 V180 A181 G208 Q212P177-I214 HydrophobicContact CB-CD1 4.18Å; P177-I214 HydrophobicContact CB-CG2 4.24Å; P177-I214 VanDerWaalsContact O-CG2 3.28Å; P177-I214 WeakPolarHBondContact O-CG2 3.35Å; V180-I214 HydrophobicContact CB-CG2 3.85Å; V180-I214 HydrophobicContact CG1-CG2 3.88Å; A181-I214 HydrophobicContact CB-CG2 4.31Å; A181-I214 WeakPolarHBondContact CB-O 3.3Å; G208-I214 VanDerWaalsContact CA-CD1 3.49Å; Q212-I214 PolarHBondContact O-N 3Å
215L89.5Confident83.4Confident5 Ų560.6 Ų60.63%0.02631%0.308CS..SBendtrans-76.4145.8-179.9-57.1-179.4000110.6V180 L203 E213 F219 F220 R245V180-L215 HydrophobicContact CG1-CD2 3.78Å; L203-L215 HydrophobicContact CB-CD1 4.4Å; L203-L215 HydrophobicContact CB-CD2 4.36Å; L203-L215 HydrophobicContact CD2-CD2 3.88Å; L203-L215 WeakPolarHBondContact O-CD1 3.34Å; E213-L215 PolarHBondContact OE1-N 3.43Å; L215-F219 HydrophobicContact CB-CD1 4.46Å; L215-F219 HydrophobicContact CD1-CD1 4.06Å; L215-F219 HydrophobicContact CD1-CE1 3.99Å; L215-F220 HydrophobicContact CB-CE1 4.36Å; L215-F220 HydrophobicContact CB-CE2 3.69Å; L215-F220 HydrophobicContact CB-CZ 3.62Å; L215-F220 HydrophobicContact CD1-CE1 3.71Å; L215-F220 HydrophobicContact CD1-CZ 3.64Å; L215-F220 HydrophobicContact CG-CZ 4.11Å; L215-R245 VanDerWaalsContact CD1-NH2 3.3Å
216Q85.2Confident83.6Confident72 Ų7259.2 Ų59.234%0.33630%0.301SS..  trans-71139.9178.4-60.9-60.1-7500111S184 R185 E218 F219S184-Q216 PolarHBondContact OG-N 2.87Å; R185-Q216 HydrophobicContact CB-CG 4.35Å; Q216-E218 WeakPolarHBondContact CB-OE2 3.41Å; Q216-E218 PolarHBondContact O-N 3.4Å; Q216-F219 WeakPolarHBondContact O-CB 3.34Å; Q216-F219 PolarHBondContact O-N 3.43Å
217P90Very high84.2Confident62 Ų6259.4 Ų59.440%0.40330%0.302SS..Hα-helixtrans-52.5-39.1177-27.335.5000113.5F219 F220 E221P217-F219 PolarHBondContact O-N 3.11Å; P217-F220 PolarHBondContact O-N 3.5Å; P217-E221 PolarHBondContact O-N 2.85Å
218E89.2Confident85.2Confident86 Ų8655.8 Ų55.840%0.40229%0.286SS..Hα-helixtrans-60.8-30.8179.8-59.877.4-171.800112Q216 A222Q216-E218 WeakPolarHBondContact CB-OE2 3.41Å; Q216-E218 PolarHBondContact O-N 3.4Å; E218-A222 WeakPolarHBondContact O-CB 3.18Å; E218-A222 PolarHBondContact O-N 2.97Å
219F91Very high86.5Confident0 Ų058.9 Ų58.90%029%0.294CS..Hα-helixtrans-67.7-46.4174174.4-98000111.3S184 C187 V188 I191 V200 L203 L204 L215 Q216 P217 E221 A222 V223S184-F219 VanDerWaalsContact O-CD2 3.22Å; S184-F219 WeakPolarHBondContact O-CD2 3.43Å; C187-F219 HydrophobicContact CB-CD2 4.26Å; C187-F219 HydrophobicContact CB-CE2 3.92Å; V188-F219 HydrophobicContact CG2-CB 4.14Å; V188-F219 HydrophobicContact CG2-CD2 4.46Å; I191-F219 HydrophobicContact CG2-CE2 4.25Å; V200-F219 HydrophobicContact CG1-CZ 4.06Å; L203-F219 HydrophobicContact CB-CE1 4.1Å; L203-F219 HydrophobicContact CB-CZ 3.89Å; L203-F219 HydrophobicContact CD1-CE2 3.9Å; L203-F219 HydrophobicContact CD1-CZ 3.74Å; L203-F219 HydrophobicContact CG-CZ 4.48Å; L204-F219 HydrophobicContact CD2-CE1 3.91Å; L204-F219 HydrophobicContact CG-CE1 4.28Å; L215-F219 HydrophobicContact CB-CD1 4.46Å; L215-F219 HydrophobicContact CD1-CD1 4.06Å; L215-F219 HydrophobicContact CD1-CE1 3.99Å; Q216-F219 WeakPolarHBondContact O-CB 3.34Å; Q216-F219 PolarHBondContact O-N 3.43Å; P217-F219 PolarHBondContact O-N 3.11Å; F219-E221 PolarHBondContact O-N 3.07Å; F219-A222 PolarHBondContact O-N 3.1Å; F219-V223 HydrophobicContact CD1-CG2 4.39Å; F219-V223 HydrophobicContact CD2-CG2 4.2Å; F219-V223 HydrophobicContact CE1-CG2 4.06Å; F219-V223 HydrophobicContact CE2-CG2 3.85Å; F219-V223 HydrophobicContact CG-CG2 4.46Å; F219-V223 HydrophobicContact CZ-CG2 3.79Å; F219-V223 WeakPolarHBondContact O-CB 3.33Å; F219-V223 WeakPolarHBondContact O-CG2 3.25Å; F219-V223 PolarHBondContact O-N 3.15Å
220F94.6Very high88Confident2 Ų256.3 Ų56.31%0.00929%0.287CS..Hα-helixtrans-64.1-41.3178-66-61.6000112.3L204 E213 L215 P217 N224 L242 R245 H246 S249L204-F220 HydrophobicContact CD2-CD1 3.99Å; L204-F220 HydrophobicContact CD2-CE1 3.99Å; E213-F220 HydrophobicContact CG-CE2 3.6Å; E213-F220 HydrophobicContact CG-CZ 3.97Å; L215-F220 HydrophobicContact CB-CE1 4.36Å; L215-F220 HydrophobicContact CB-CE2 3.69Å; L215-F220 HydrophobicContact CB-CZ 3.62Å; L215-F220 HydrophobicContact CD1-CE1 3.71Å; L215-F220 HydrophobicContact CD1-CZ 3.64Å; L215-F220 HydrophobicContact CG-CZ 4.11Å; P217-F220 PolarHBondContact O-N 3.5Å; F220-N224 VanDerWaalsContact O-CB 3.25Å; F220-N224 WeakPolarHBondContact O-CB 3.45Å; F220-N224 PolarHBondContact O-N 2.68Å; F220-L242 HydrophobicContact CB-CD1 3.82Å; F220-L242 HydrophobicContact CD1-CD1 3.49Å; F220-L242 VanDerWaalsContact CD1-CD1 3.49Å; F220-L242 HydrophobicContact CE1-CD1 4.46Å; F220-L242 HydrophobicContact CG-CD1 4.1Å; F220-R245 HydrophobicContact CE1-CB 4.17Å; F220-R245 HydrophobicContact CZ-CB 4.07Å; F220-H246 HydrophobicContact CB-CB 3.77Å; F220-H246 HydrophobicContact CD1-CB 4.16Å; F220-H246 HydrophobicContact CD2-CB 3.95Å; F220-H246 AromaticContact CD2-CD2 4Å; F220-H246 AromaticContact CD2-CG 3.97Å; F220-H246 HydrophobicContact CG-CB 3.72Å; F220-H246 AromaticContact CG-CG 3.9Å; F220-S249 PolarHBondContact O-OG 2.83Å
221E93.8Very high89.2Confident103 Ų10355.3 Ų55.348%0.48128%0.282SS..Hα-helixtrans-62.4-50176.5-70.5-177.8-177.500111.2P217 F219 V223 N224 E225P217-E221 PolarHBondContact O-N 2.85Å; F219-E221 PolarHBondContact O-N 3.07Å; E221-V223 PolarHBondContact O-N 2.86Å; E221-N224 PolarHBondContact O-N 2.84Å; E221-E225 WeakPolarHBondContact O-CG 3.4Å; E221-E225 PolarHBondContact O-N 3.32Å
222A90.7Very high90.5Very high24 Ų2449.5 Ų49.520%0.19824%0.243CC..Hα-helixtrans-62.3-43.6-179.200000111.9V188 I191 E218 F219 E225 A226V188-A222 HydrophobicContact CG1-CB 3.87Å; I191-A222 HydrophobicContact CD1-CB 3.61Å; I191-A222 WeakPolarHBondContact CD1-O 3.23Å; E218-A222 WeakPolarHBondContact O-CB 3.18Å; E218-A222 PolarHBondContact O-N 2.97Å; F219-A222 PolarHBondContact O-N 3.1Å; A222-E225 PolarHBondContact O-N 3.49Å; A222-A226 WeakPolarHBondContact O-CB 3.39Å; A222-A226 PolarHBondContact O-N 3.4Å
223V95.4Very high91.2Very high0 Ų047.1 Ų47.10%024%0.243CC..Hα-helixtrans-62.3-44.5175.3171.20000110.9I191 V200 L204 F219 E221 A226 I227 I232 L234 L242I191-V223 HydrophobicContact CD1-CG2 4.5Å; I191-V223 HydrophobicContact CG2-CG2 4.05Å; V200-V223 HydrophobicContact CG1-CG1 4.24Å; V200-V223 HydrophobicContact CG1-CG2 3.84Å; L204-V223 HydrophobicContact CD1-CG1 4.04Å; F219-V223 HydrophobicContact CD1-CG2 4.39Å; F219-V223 HydrophobicContact CD2-CG2 4.2Å; F219-V223 HydrophobicContact CE1-CG2 4.06Å; F219-V223 HydrophobicContact CE2-CG2 3.85Å; F219-V223 HydrophobicContact CG-CG2 4.46Å; F219-V223 HydrophobicContact CZ-CG2 3.79Å; F219-V223 WeakPolarHBondContact O-CB 3.33Å; F219-V223 WeakPolarHBondContact O-CG2 3.25Å; F219-V223 PolarHBondContact O-N 3.15Å; E221-V223 PolarHBondContact O-N 2.86Å; V223-A226 PolarHBondContact O-N 3.43Å; V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 HydrophobicContact CG1-CG1 4.49Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.49Å; V223-I227 PolarHBondContact O-N 2.97Å; V223-I232 HydrophobicContact CG1-CD1 4.06Å; V223-L234 HydrophobicContact CG1-CD1 4.03Å; V223-L242 HydrophobicContact CG1-CD2 4.14Å
224N96.1Very high91.6Very high1 Ų144.1 Ų44.11%0.00523%0.23CC..Hα-helixtrans-62.1-45.4178.7-16663.7000111.4F220 E221 A226 I227 L228 L242 W243 S249F220-N224 VanDerWaalsContact O-CB 3.25Å; F220-N224 WeakPolarHBondContact O-CB 3.45Å; F220-N224 PolarHBondContact O-N 2.68Å; E221-N224 PolarHBondContact O-N 2.84Å; N224-A226 VanDerWaalsContact C-N 3.32Å; N224-A226 PolarHBondContact O-N 3.46Å; N224-I227 PolarHBondContact O-N 2.97Å; N224-L228 VanDerWaalsContact O-CG 3.3Å; N224-L228 WeakPolarHBondContact O-CG 3.23Å; N224-L228 PolarHBondContact O-N 2.79Å; N224-L242 HydrophobicContact CB-CD2 4.05Å; N224-W243 PolarHBondContact OD1-NE1 3.27Å; N224-S249 WeakPolarHBondContact CB-OG 3.46Å; N224-S249 VanDerWaalsContact CG-CB 3.49Å; N224-S249 PolarHBondContact ND2-O 3.04Å; N224-S249 PolarHBondContact OD1-O 3.02Å
225E94.1Very high92Very high60 Ų6045.5 Ų45.528%0.2824%0.24SC..Hα-helixtrans-57.8-44.8174.2-73.7-50.6107.600112.2E221 A222 I227 L228 L229 K252E221-E225 WeakPolarHBondContact O-CG 3.4Å; E221-E225 PolarHBondContact O-N 3.32Å; A222-E225 PolarHBondContact O-N 3.49Å; E225-I227 VanDerWaalsContact C-N 3.31Å; E225-I227 PolarHBondContact O-N 3.4Å; E225-L228 PolarHBondContact O-N 3.32Å; E225-L229 VanDerWaalsContact O-CB 3.32Å; E225-L229 WeakPolarHBondContact O-CB 3.27Å; E225-L229 VanDerWaalsContact O-CG 3.29Å; E225-L229 WeakPolarHBondContact O-CG 3.45Å; E225-L229 PolarHBondContact O-N 2.98Å; E225-K252 WeakPolarHBondContact OE1-CD 3.15Å; E225-K252 WeakPolarHBondContact OE1-CE 3.49Å; E225-K252 IonicContact OE1-NZ 3.91Å; E225-K252 PolarHBondContact OE1-NZ 3.4Å; E225-K252 IonicContact OE2-NZ 3.72Å; E225-K252 PolarHBondContact OE2-NZ 3.43Å
226A92.9Very high92.1Very high5 Ų548.6 Ų48.64%0.04126%0.256CS..Hα-helixtrans-63.5-36.7178.300000112.2I191 A222 V223 N224 K230 K231 I232I191-A226 HydrophobicContact CD1-CB 3.86Å; I191-A226 HydrophobicContact CG1-CB 4.47Å; A222-A226 WeakPolarHBondContact O-CB 3.39Å; A222-A226 PolarHBondContact O-N 3.4Å; V223-A226 PolarHBondContact O-N 3.43Å; N224-A226 VanDerWaalsContact C-N 3.32Å; N224-A226 PolarHBondContact O-N 3.46Å; A226-K230 PolarHBondContact O-N 2.98Å; A226-K230 VanDerWaalsContact O-N 3.16Å; A226-K231 HydrophobicContact CB-CB 4.33Å; A226-K231 PolarHBondContact O-N 2.88Å; A226-I232 HydrophobicContact CB-CB 4.48Å; A226-I232 HydrophobicContact CB-CD1 3.9Å; A226-I232 HydrophobicContact CB-CG1 3.86Å; A226-I232 HydrophobicContact CB-CG2 3.94Å; A226-I232 PolarHBondContact O-N 3.43Å
227I94.3Very high92.5Very high15 Ų1548.2 Ų48.28%0.07726%0.261CS..Hα-helixtrans-66.5-48173.9-67164.2000110.9V223 N224 E225 L229 K230 I232 L234 V239 L242V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 HydrophobicContact CG1-CG1 4.49Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.49Å; V223-I227 PolarHBondContact O-N 2.97Å; N224-I227 PolarHBondContact O-N 2.97Å; E225-I227 VanDerWaalsContact C-N 3.31Å; E225-I227 PolarHBondContact O-N 3.4Å; I227-L229 VanDerWaalsContact C-N 3.32Å; I227-L229 PolarHBondContact O-N 2.94Å; I227-K230 PolarHBondContact O-N 3.28Å; I227-I232 HydrophobicContact CG1-CD1 3.83Å; I227-I232 HydrophobicContact CG1-CG1 3.83Å; I227-L234 HydrophobicContact CD1-CD1 4.25Å; I227-V239 HydrophobicContact CD1-CG2 4.29Å; I227-L242 HydrophobicContact CD1-CD2 3.59Å
228L93.2Very high92.7Very high21 Ų2145.3 Ų45.311%0.1124%0.242CC..Hα-helixtrans-63.3-39.5-178-67.2177.7000111.7N224 E225 K230 K252 A253 H256N224-L228 VanDerWaalsContact O-CG 3.3Å; N224-L228 WeakPolarHBondContact O-CG 3.23Å; N224-L228 PolarHBondContact O-N 2.79Å; E225-L228 PolarHBondContact O-N 3.32Å; L228-K230 PolarHBondContact O-N 3.44Å; L228-K252 HydrophobicContact CD1-CG 4.35Å; L228-A253 HydrophobicContact CD2-CB 3.94Å; L228-H256 HydrophobicContact CD1-CB 4.25Å; L228-H256 HydrophobicContact CD2-CB 4.46Å
229L91.1Very high93Very high97 Ų9741.5 Ų41.551%0.50823%0.225SC..THydrogen-bonded Turntrans-80.42.3174.9-62.8176.5000113.7E225 I227 K231E225-L229 VanDerWaalsContact O-CB 3.32Å; E225-L229 WeakPolarHBondContact O-CB 3.27Å; E225-L229 VanDerWaalsContact O-CG 3.29Å; E225-L229 WeakPolarHBondContact O-CG 3.45Å; E225-L229 PolarHBondContact O-N 2.98Å; I227-L229 VanDerWaalsContact C-N 3.32Å; I227-L229 PolarHBondContact O-N 2.94Å; L229-K231 HydrophobicContact CB-CD 4.3Å; L229-K231 HydrophobicContact CB-CG 4.01Å; L229-K231 HydrophobicContact CD1-CD 4.45Å; L229-K231 PolarHBondContact O-N 3.48Å
230K91.2Very high93.1Very high126 Ų12642.7 Ų42.755%0.54823%0.232SC..THydrogen-bonded Turntrans54.831.7-178.4-54.2-65-178.2-174.70113.6A226 I227 L228 D278A226-K230 PolarHBondContact O-N 2.98Å; A226-K230 VanDerWaalsContact O-N 3.16Å; I227-K230 PolarHBondContact O-N 3.28Å; L228-K230 PolarHBondContact O-N 3.44Å; K230-D278 PolarHBondContact NZ-O 2.89Å
231K89.7Confident93.1Very high82 Ų8243.5 Ų43.536%0.35724%0.237SC..  trans-82.6-18.1176.3-67.2-173.5173.2-171.10112.9E85 T192 A226 L229E85-K231 IonicContact OE1-NZ 3.63Å; E85-K231 PolarHBondContact OE1-NZ 3.36Å; T192-K231 HydrophobicContact CG2-CB 4.09Å; T192-K231 HydrophobicContact CG2-CD 4.28Å; A226-K231 HydrophobicContact CB-CB 4.33Å; A226-K231 PolarHBondContact O-N 2.88Å; L229-K231 HydrophobicContact CB-CD 4.3Å; L229-K231 HydrophobicContact CB-CG 4.01Å; L229-K231 HydrophobicContact CD1-CD 4.45Å; L229-K231 PolarHBondContact O-N 3.48Å
232I91.5Very high93.2Very high17 Ų1738.6 Ų38.69%0.08722%0.215CC..  trans-132.8156.6175.967.2174.5000110.8I191 V223 A226 I227 L234I191-I232 WeakPolarHBondContact O-CG2 3.46Å; V223-I232 HydrophobicContact CG1-CD1 4.06Å; A226-I232 HydrophobicContact CB-CB 4.48Å; A226-I232 HydrophobicContact CB-CD1 3.9Å; A226-I232 HydrophobicContact CB-CG1 3.86Å; A226-I232 HydrophobicContact CB-CG2 3.94Å; A226-I232 PolarHBondContact O-N 3.43Å; I227-I232 HydrophobicContact CG1-CD1 3.83Å; I227-I232 HydrophobicContact CG1-CG1 3.83Å; I232-L234 HydrophobicContact CD1-CD1 3.64Å; I232-L234 HydrophobicContact CD1-CG 3.9Å; I232-L234 HydrophobicContact CG1-CG 4.36Å
233S90.9Very high93.4Very high104 Ų10437.8 Ų37.873%0.72721%0.206SC*.  trans-127.789.1179.4176.10000110.9
234L93.7Very high93.3Very high22 Ų2241.1 Ų41.112%0.11522%0.224CC..  trans-95.6151.4178.9-62.6177.7000112.1D197 V200 E201 L204 V223 I227 I232 A238D197-L234 HydrophobicContact CB-CD2 4.42Å; V200-L234 HydrophobicContact CB-CD2 4.41Å; V200-L234 HydrophobicContact CG1-CD1 3.82Å; V200-L234 HydrophobicContact CG1-CD2 4.21Å; E201-L234 HydrophobicContact CB-CD2 4.43Å; L204-L234 HydrophobicContact CD1-CD1 3.71Å; V223-L234 HydrophobicContact CG1-CD1 4.03Å; I227-L234 HydrophobicContact CD1-CD1 4.25Å; I232-L234 HydrophobicContact CD1-CD1 3.64Å; I232-L234 HydrophobicContact CD1-CG 3.9Å; I232-L234 HydrophobicContact CG1-CG 4.36Å; L234-A238 HydrophobicContact CB-CB 4.24Å
235P93.8Very high93.1Very high51 Ų5143 Ų4333%0.33123%0.231SC..  trans-63.8151.1172.927.8-34.6000111.4E201 S237 A238 V239E201-P235 HydrophobicContact CG-CG 3.7Å; P235-S237 PolarHBondContact O-N 2.67Å; P235-S237 VanDerWaalsContact O-N 3.1Å; P235-A238 HydrophobicContact CG-CB 4.17Å; P235-A238 WeakPolarHBondContact O-CB 3.41Å; P235-A238 PolarHBondContact O-N 3.4Å; P235-V239 PolarHBondContact O-N 3.4Å
236M92.8Very high93.1Very high71 Ų7141.2 Ų41.235%0.3522%0.222SC..Hα-helixtrans-56-32.8-177.3-170.360.860.400113.3A238 V239 V240 Q283 A284M236-A238 VanDerWaalsContact C-N 3.28Å; M236-A238 PolarHBondContact O-N 2.85Å; M236-V239 PolarHBondContact O-N 2.92Å; M236-V239 HydrophobicContact SD-CB 4.37Å; M236-V240 HydrophobicContact CG-CG2 4.36Å; M236-V240 WeakPolarHBondContact O-CG2 3.48Å; M236-V240 PolarHBondContact O-N 3.28Å; M236-Q283 HydrophobicContact CE-CB 3.64Å; M236-Q283 HydrophobicContact CE-CG 4.19Å; M236-Q283 HydrophobicContact CG-CB 4.32Å; M236-Q283 HydrophobicContact SD-CB 3.89Å; M236-A284 HydrophobicContact SD-CB 4.4Å
237S91.8Very high93.2Very high64 Ų6444.9 Ų44.945%0.44824%0.241SC..Hα-helixtrans-58.1-39.8174.848.90000112.6P235 C241P235-S237 PolarHBondContact O-N 2.67Å; P235-S237 VanDerWaalsContact O-N 3.1Å; S237-C241 PolarHBondContact O-N 3.31Å; S237-C241 PolarHBondContact O-SG 2.93Å
238A94.4Very high93.3Very high0 Ų047.2 Ų47.20%026%0.257CS..Hα-helixtrans-71.8-38.2178.100000111.9E201 L204 L234 P235 M236 C241 L242E201-A238 HydrophobicContact CG-CB 4.04Å; L204-A238 HydrophobicContact CB-CB 4.37Å; L204-A238 HydrophobicContact CD1-CB 3.96Å; L234-A238 HydrophobicContact CB-CB 4.24Å; P235-A238 HydrophobicContact CG-CB 4.17Å; P235-A238 WeakPolarHBondContact O-CB 3.41Å; P235-A238 PolarHBondContact O-N 3.4Å; M236-A238 VanDerWaalsContact C-N 3.28Å; M236-A238 PolarHBondContact O-N 2.85Å; A238-C241 PolarHBondContact O-N 3Å; A238-L242 WeakPolarHBondContact O-CB 3.33Å; A238-L242 PolarHBondContact O-N 3.01Å
239V95.3Very high93.5Very high7 Ų746.3 Ų46.34%0.04225%0.252CS..Hα-helixtrans-62.9-43.9174-177.10000110.9I227 P235 M236 L242 W243I227-V239 HydrophobicContact CD1-CG2 4.29Å; P235-V239 PolarHBondContact O-N 3.4Å; M236-V239 PolarHBondContact O-N 2.92Å; M236-V239 HydrophobicContact SD-CB 4.37Å; V239-L242 WeakPolarHBondContact O-CB 3.4Å; V239-L242 PolarHBondContact O-N 3.19Å; V239-W243 HydrophobicContact CG1-CD2 3.96Å; V239-W243 HydrophobicContact CG1-CE3 3.94Å; V239-W243 HydrophobicContact CG1-CH2 3.7Å; V239-W243 HydrophobicContact CG1-CZ2 3.71Å; V239-W243 HydrophobicContact CG1-CZ3 3.81Å; V239-W243 PolarHBondContact O-N 2.77Å
240V94.2Very high93.8Very high25 Ų2541.8 Ų41.815%0.15223%0.229CC..Hα-helixtrans-61.1-45.8174.41690000110.7M236 L242 W243 L244 A284 H287 I290M236-V240 HydrophobicContact CG-CG2 4.36Å; M236-V240 WeakPolarHBondContact O-CG2 3.48Å; M236-V240 PolarHBondContact O-N 3.28Å; V240-L242 PolarHBondContact O-N 3.45Å; V240-W243 PolarHBondContact O-N 2.88Å; V240-L244 HydrophobicContact CG1-CD1 3.68Å; V240-L244 HydrophobicContact CG1-CG 4.22Å; V240-L244 WeakPolarHBondContact O-CB 3.35Å; V240-L244 VanDerWaalsContact O-CG 3.24Å; V240-L244 WeakPolarHBondContact O-CG 3.43Å; V240-L244 PolarHBondContact O-N 3.35Å; V240-A284 HydrophobicContact CG2-CB 3.87Å; V240-H287 HydrophobicContact CG1-CB 4.31Å; V240-I290 HydrophobicContact CB-CD1 4.26Å; V240-I290 HydrophobicContact CG1-CD1 3.93Å; V240-I290 HydrophobicContact CG2-CD1 4.24Å
241C94Very high94Very high19 Ų1939.6 Ų39.613%0.12822%0.221CC..Hα-helixtrans-61-41.8176.4-74.10000112.6L204 S237 A238 L244 R245L204-C241 VanDerWaalsContact O-CB 3.26Å; L204-C241 WeakPolarHBondContact O-CB 3.37Å; S237-C241 PolarHBondContact O-N 3.31Å; S237-C241 PolarHBondContact O-SG 2.93Å; A238-C241 PolarHBondContact O-N 3Å; C241-L244 PolarHBondContact O-N 3.36Å; C241-R245 VanDerWaalsContact O-CB 3.32Å; C241-R245 WeakPolarHBondContact O-CB 3.49Å; C241-R245 WeakPolarHBondContact O-CD 3.5Å; C241-R245 WeakPolarHBondContact O-CG 3.25Å; C241-R245 PolarHBondContact O-N 2.95Å
242L95.9Very high94.4Very high0 Ų040.2 Ų40.20%022%0.223CC..Hα-helixtrans-55.3-54.4174.5169.664.4000110.9L204 F220 V223 N224 I227 A238 V239 V240 L244 R245 H246L204-L242 HydrophobicContact CD2-CB 4.04Å; L204-L242 HydrophobicContact CD2-CD1 4.13Å; F220-L242 HydrophobicContact CB-CD1 3.82Å; F220-L242 HydrophobicContact CD1-CD1 3.49Å; F220-L242 VanDerWaalsContact CD1-CD1 3.49Å; F220-L242 HydrophobicContact CE1-CD1 4.46Å; F220-L242 HydrophobicContact CG-CD1 4.1Å; V223-L242 HydrophobicContact CG1-CD2 4.14Å; N224-L242 HydrophobicContact CB-CD2 4.05Å; I227-L242 HydrophobicContact CD1-CD2 3.59Å; A238-L242 WeakPolarHBondContact O-CB 3.33Å; A238-L242 PolarHBondContact O-N 3.01Å; V239-L242 WeakPolarHBondContact O-CB 3.4Å; V239-L242 PolarHBondContact O-N 3.19Å; V240-L242 PolarHBondContact O-N 3.45Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 2.92Å; L242-R245 PolarHBondContact O-N 2.77Å; L242-H246 PolarHBondContact O-N 3.34Å
243W96.4Very high94.6Very high6 Ų639.5 Ų39.52%0.02322%0.22CC..Hα-helixtrans-72.4-24.9-175.7-66.8-18.3000113.9N224 V239 V240 L250 A253 L281 A284 I290N224-W243 PolarHBondContact OD1-NE1 3.27Å; V239-W243 HydrophobicContact CG1-CD2 3.96Å; V239-W243 HydrophobicContact CG1-CE3 3.94Å; V239-W243 HydrophobicContact CG1-CH2 3.7Å; V239-W243 HydrophobicContact CG1-CZ2 3.71Å; V239-W243 HydrophobicContact CG1-CZ3 3.81Å; V239-W243 PolarHBondContact O-N 2.77Å; V240-W243 PolarHBondContact O-N 2.88Å; W243-L250 HydrophobicContact CB-CB 4Å; W243-L250 HydrophobicContact CB-CD1 4.25Å; W243-L250 HydrophobicContact CB-CD2 4.42Å; W243-L250 HydrophobicContact CB-CG 4.45Å; W243-L250 HydrophobicContact CD2-CD1 3.92Å; W243-L250 HydrophobicContact CE3-CD1 3.97Å; W243-L250 HydrophobicContact CG-CB 4.05Å; W243-L250 HydrophobicContact CG-CD1 4.04Å; W243-A253 HydrophobicContact CZ2-CB 3.83Å; W243-L281 HydrophobicContact CE3-CD2 4.36Å; W243-L281 HydrophobicContact CH2-CD2 3.9Å; W243-L281 HydrophobicContact CH2-CG 4.23Å; W243-L281 HydrophobicContact CZ3-CD2 3.77Å; W243-L281 HydrophobicContact CZ3-CG 4.36Å; W243-A284 HydrophobicContact CE3-CB 3.46Å; W243-A284 VanDerWaalsContact CE3-CB 3.46Å; W243-A284 HydrophobicContact CZ3-CB 3.32Å; W243-I290 HydrophobicContact CB-CD1 4.04Å; W243-I290 HydrophobicContact CB-CG1 4.46Å; W243-I290 HydrophobicContact CE3-CD1 4.45Å; W243-I290 HydrophobicContact CE3-CG2 4.48Å
244L92.9Very high94.9Very high71 Ų7134.6 Ų34.637%0.37219%0.185SC..Hα-helixtrans-74.6-30.9171.6-72.9175.5000113.3V240 C241 L242 A289 I290V240-L244 HydrophobicContact CG1-CD1 3.68Å; V240-L244 HydrophobicContact CG1-CG 4.22Å; V240-L244 WeakPolarHBondContact O-CB 3.35Å; V240-L244 VanDerWaalsContact O-CG 3.24Å; V240-L244 WeakPolarHBondContact O-CG 3.43Å; V240-L244 PolarHBondContact O-N 3.35Å; C241-L244 PolarHBondContact O-N 3.36Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 2.92Å; L244-A289 HydrophobicContact CD2-CB 3.76Å; L244-I290 HydrophobicContact CD2-CD1 4.3Å; L244-I290 HydrophobicContact CD2-CG1 3.79Å; L244-I290 HydrophobicContact CG-CD1 4.14Å; L244-I290 HydrophobicContact CG-CG1 4.17Å
245R92.3Very high94.9Very high39 Ų3938 Ų3815%0.14720%0.203CC..Hα-helixtrans-91.9-29.9-176-68.4170.770.9173.84.3112.8L203 L204 C206 E213 L215 F220 C241 L242L203-R245 PolarHBondContact O-NH1 3.43Å; L204-R245 VanDerWaalsContact C-NH1 3.3Å; L204-R245 PolarHBondContact O-NH1 2.97Å; C206-R245 PolarHBondContact O-NH1 3.43Å; C206-R245 VanDerWaalsContact O-NH1 3.14Å; C206-R245 PolarHBondContact O-NH2 3.08Å; E213-R245 VanDerWaalsContact CD-NH2 3.34Å; E213-R245 IonicContact OE1-CZ 2.99Å; E213-R245 IonicContact OE1-NE 3.59Å; E213-R245 IonicContact OE1-NH2 3.78Å; E213-R245 PolarHBondContact OE1-NH2 3.08Å; E213-R245 IonicContact OE2-CZ 2.64Å; E213-R245 IonicContact OE2-NE 3.31Å; E213-R245 PolarHBondContact OE2-NE 2.81Å; E213-R245 IonicContact OE2-NH2 3.27Å; E213-R245 PolarHBondContact OE2-NH2 3.44Å; L215-R245 VanDerWaalsContact CD1-NH2 3.3Å; F220-R245 HydrophobicContact CE1-CB 4.17Å; F220-R245 HydrophobicContact CZ-CB 4.07Å; C241-R245 VanDerWaalsContact O-CB 3.32Å; C241-R245 WeakPolarHBondContact O-CB 3.49Å; C241-R245 WeakPolarHBondContact O-CD 3.5Å; C241-R245 WeakPolarHBondContact O-CG 3.25Å; C241-R245 PolarHBondContact O-N 2.95Å; L242-R245 PolarHBondContact O-N 2.77Å
246H93.9Very high94.9Very high23 Ų2337.7 Ų37.711%0.10620%0.197CC..  trans-130.391.3-176-165.2-117.7000111.2F220 L242 P248 S249F220-H246 HydrophobicContact CB-CB 3.77Å; F220-H246 HydrophobicContact CD1-CB 4.16Å; F220-H246 HydrophobicContact CD2-CB 3.95Å; F220-H246 AromaticContact CD2-CD2 4Å; F220-H246 AromaticContact CD2-CG 3.97Å; F220-H246 HydrophobicContact CG-CB 3.72Å; F220-H246 AromaticContact CG-CG 3.9Å; L242-H246 PolarHBondContact O-N 3.34Å; H246-P248 VanDerWaalsContact C-CD 3.46Å; H246-S249 PolarHBondContact ND1-N 2.86Å; H246-S249 PolarHBondContact ND1-OG 3.11Å; H246-S249 WeakPolarHBondContact O-CB 3.47Å; H246-S249 PolarHBondContact O-N 2.96Å; H246-S249 VanDerWaalsContact O-N 3.08Å
247L94.3Very high95Very high82 Ų8234.5 Ų34.543%0.42918%0.182SC..Hα-helixtrans-53.7-42.8178.717962.7000113.5S249 L250 E251 V293L247-S249 PolarHBondContact O-N 3.18Å; L247-S249 VanDerWaalsContact O-N 3.15Å; L247-L250 WeakPolarHBondContact O-CB 3.34Å; L247-L250 PolarHBondContact O-N 3.33Å; L247-E251 HydrophobicContact CD1-CG 4.22Å; L247-E251 HydrophobicContact CG-CG 4.25Å; L247-E251 PolarHBondContact O-N 3.04Å; L247-V293 HydrophobicContact CD1-CB 4.45Å; L247-V293 HydrophobicContact CD1-CG1 3.65Å; L247-V293 HydrophobicContact CD1-CG2 3.97Å
248P96Very high95Very high64 Ų6432.7 Ų32.742%0.41617%0.166SC..Hα-helixtrans-58.1-30.9177.6-25.134.5000113.7H246 K252H246-P248 VanDerWaalsContact C-CD 3.46Å; P248-K252 VanDerWaalsContact O-CB 3.28Å; P248-K252 WeakPolarHBondContact O-CB 3.28Å; P248-K252 PolarHBondContact O-N 3.4Å
249S96.6Very high94.9Very high2 Ų238.3 Ų38.31%0.01419%0.192CC..Hα-helixtrans-66.5-40.2174.9-71.90000112.2F220 N224 H246 L247 A253F220-S249 PolarHBondContact O-OG 2.83Å; N224-S249 WeakPolarHBondContact CB-OG 3.46Å; N224-S249 VanDerWaalsContact CG-CB 3.49Å; N224-S249 PolarHBondContact ND2-O 3.04Å; N224-S249 PolarHBondContact OD1-O 3.02Å; H246-S249 PolarHBondContact ND1-N 2.86Å; H246-S249 PolarHBondContact ND1-OG 3.11Å; H246-S249 WeakPolarHBondContact O-CB 3.47Å; H246-S249 PolarHBondContact O-N 2.96Å; H246-S249 VanDerWaalsContact O-N 3.08Å; L247-S249 PolarHBondContact O-N 3.18Å; L247-S249 VanDerWaalsContact O-N 3.15Å; S249-A253 PolarHBondContact O-N 3.26Å
250L97.7Very high94.6Very high2 Ų241.5 Ų41.51%0.0121%0.205CC..Hα-helixtrans-68.3-44.5176.817855.6000111.4W243 L247 K252 A253 M254 L281 I290 V293 V294W243-L250 HydrophobicContact CB-CB 4Å; W243-L250 HydrophobicContact CB-CD1 4.25Å; W243-L250 HydrophobicContact CB-CD2 4.42Å; W243-L250 HydrophobicContact CB-CG 4.45Å; W243-L250 HydrophobicContact CD2-CD1 3.92Å; W243-L250 HydrophobicContact CE3-CD1 3.97Å; W243-L250 HydrophobicContact CG-CB 4.05Å; W243-L250 HydrophobicContact CG-CD1 4.04Å; L247-L250 WeakPolarHBondContact O-CB 3.34Å; L247-L250 PolarHBondContact O-N 3.33Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.1Å; L250-A253 WeakPolarHBondContact O-CB 3.42Å; L250-A253 PolarHBondContact O-N 3.45Å; L250-A253 VanDerWaalsContact O-N 3.15Å; L250-M254 PolarHBondContact O-N 3.19Å; L250-L281 HydrophobicContact CD1-CD2 3.74Å; L250-I290 HydrophobicContact CD1-CG2 4.13Å; L250-I290 HydrophobicContact CD2-CG2 4.06Å; L250-V293 HydrophobicContact CD2-CB 3.73Å; 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 4.16Å
251E96.8Very high94.3Very high81 Ų8141.5 Ų41.538%0.37920%0.204SC..Hα-helixtrans-58.6-44.2175.7-68.4173.6160.300111L247 A253 M254 L255 M297L247-E251 HydrophobicContact CD1-CG 4.22Å; L247-E251 HydrophobicContact CG-CG 4.25Å; L247-E251 PolarHBondContact O-N 3.04Å; E251-A253 VanDerWaalsContact C-N 3.34Å; E251-A253 PolarHBondContact O-N 3.13Å; E251-M254 WeakPolarHBondContact O-CB 3.48Å; E251-M254 PolarHBondContact O-N 3.17Å; E251-L255 WeakPolarHBondContact O-CG 3.33Å; E251-L255 PolarHBondContact O-N 2.72Å; E251-M297 HydrophobicContact CB-CE 4.34Å; E251-M297 HydrophobicContact CB-SD 4.33Å; E251-M297 HydrophobicContact CG-SD 4.13Å
252K96.4Very high93.8Very high94 Ų9447.3 Ų47.341%0.40923%0.233SC..Hα-helixtrans-63.6-37.3176.1-167.2169.2-168.1-173.50112.9E225 L228 P248 L250 M254 L255 H256E225-K252 WeakPolarHBondContact OE1-CD 3.15Å; E225-K252 WeakPolarHBondContact OE1-CE 3.49Å; E225-K252 IonicContact OE1-NZ 3.91Å; E225-K252 PolarHBondContact OE1-NZ 3.4Å; E225-K252 IonicContact OE2-NZ 3.72Å; E225-K252 PolarHBondContact OE2-NZ 3.43Å; L228-K252 HydrophobicContact CD1-CG 4.35Å; P248-K252 VanDerWaalsContact O-CB 3.28Å; P248-K252 WeakPolarHBondContact O-CB 3.28Å; P248-K252 PolarHBondContact O-N 3.4Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.1Å; K252-M254 VanDerWaalsContact C-N 3.34Å; K252-L255 PolarHBondContact O-N 3.24Å; K252-H256 WeakPolarHBondContact O-CB 3.4Å; K252-H256 PolarHBondContact O-N 3.34Å
253A96.9Very high93.3Very high3 Ų352.3 Ų52.33%0.02527%0.268CS..Hα-helixtrans-64.3-39174.700000112.1L228 W243 S249 L250 E251 L257L228-A253 HydrophobicContact CD2-CB 3.94Å; W243-A253 HydrophobicContact CZ2-CB 3.83Å; S249-A253 PolarHBondContact O-N 3.26Å; L250-A253 WeakPolarHBondContact O-CB 3.42Å; L250-A253 PolarHBondContact O-N 3.45Å; L250-A253 VanDerWaalsContact O-N 3.15Å; E251-A253 VanDerWaalsContact C-N 3.34Å; E251-A253 PolarHBondContact O-N 3.13Å; A253-L257 PolarHBondContact O-N 2.68Å; A253-L257 VanDerWaalsContact O-N 3.07Å
254M96.3Very high92.5Very high0 Ų052.5 Ų52.50%027%0.27CS..Hα-helixtrans-67.4-44174.2-80.4-64.1-65.300112.6L250 E251 K252 H256 L257 F258 L281 V294 M297 F298L250-M254 PolarHBondContact O-N 3.19Å; E251-M254 WeakPolarHBondContact O-CB 3.48Å; E251-M254 PolarHBondContact O-N 3.17Å; K252-M254 VanDerWaalsContact C-N 3.34Å; M254-H256 VanDerWaalsContact C-N 3.32Å; M254-H256 PolarHBondContact O-N 3.18Å; M254-L257 WeakPolarHBondContact O-CB 3.43Å; M254-L257 PolarHBondContact O-N 2.89Å; M254-L257 VanDerWaalsContact O-N 3.14Å; M254-F258 HydrophobicContact CE-CE2 3.89Å; M254-F258 HydrophobicContact CE-CZ 3.75Å; M254-F258 VanDerWaalsContact O-CD2 3.29Å; M254-F258 WeakPolarHBondContact O-CD2 3.49Å; M254-F258 PolarHBondContact O-N 3.2Å; M254-L281 HydrophobicContact CG-CD1 4.4Å; M254-L281 HydrophobicContact CG-CD2 4.44Å; M254-L281 HydrophobicContact SD-CD1 3.53Å; M254-L281 VanDerWaalsContact SD-CD1 3.53Å; M254-L281 HydrophobicContact SD-CD2 4.23Å; M254-L281 HydrophobicContact SD-CG 4.48Å; M254-V294 HydrophobicContact CE-CG1 4.04Å; M254-V294 HydrophobicContact CG-CG2 4.28Å; M254-V294 HydrophobicContact SD-CB 4.28Å; M254-V294 HydrophobicContact SD-CG1 3.76Å; M254-V294 HydrophobicContact SD-CG2 4Å; M254-M297 HydrophobicContact CB-CE 3.38Å; M254-M297 HydrophobicContact CB-SD 3.41Å; M254-M297 WeakPolarHBondContact CB-SD 3.32Å; M254-M297 HydrophobicContact CE-CB 3.94Å; M254-M297 HydrophobicContact CG-CE 4.2Å; M254-M297 HydrophobicContact CG-SD 3.54Å; M254-M297 VanDerWaalsContact CG-SD 3.54Å; M254-F298 HydrophobicContact CE-CD1 4.26Å; M254-F298 HydrophobicContact CE-CD2 4.4Å; M254-F298 HydrophobicContact CE-CE1 3.96Å; M254-F298 HydrophobicContact CE-CE2 4.13Å; M254-F298 HydrophobicContact CE-CG 4.46Å; M254-F298 HydrophobicContact CE-CZ 3.89Å
255L94.8Very high91.4Very high94 Ų9454 Ų5449%0.49228%0.275SS..Hα-helixtrans-60.2-43.1174.4-69.4173.6000111.4E251 K252 L257 F258 E259 M297E251-L255 WeakPolarHBondContact O-CG 3.33Å; E251-L255 PolarHBondContact O-N 2.72Å; K252-L255 PolarHBondContact O-N 3.24Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 3.19Å; L255-F258 PolarHBondContact O-N 3.44Å; L255-F258 VanDerWaalsContact O-N 3.13Å; L255-E259 WeakPolarHBondContact O-CG 3.36Å; L255-E259 PolarHBondContact O-N 3.03Å; L255-M297 HydrophobicContact CG-CE 4.43Å
256H94Very high90.3Very high44 Ų4459.5 Ų59.520%0.20430%0.296CS..Hα-helixtrans-61.6-34.6175.3-173.368.4000112.9L228 K252 M254 E259 K260L228-H256 HydrophobicContact CD1-CB 4.25Å; L228-H256 HydrophobicContact CD2-CB 4.46Å; K252-H256 WeakPolarHBondContact O-CB 3.4Å; K252-H256 PolarHBondContact O-N 3.34Å; M254-H256 VanDerWaalsContact C-N 3.32Å; M254-H256 PolarHBondContact O-N 3.18Å; H256-E259 IonicContact ND1-OE2 2.64Å; H256-K260 WeakPolarHBondContact NE2-CE 3.34Å; H256-K260 PolarHBondContact NE2-NZ 3.34Å; H256-K260 WeakPolarHBondContact O-CG 3.42Å; H256-K260 PolarHBondContact O-N 3.25Å
257L93.7Very high89.1Confident4 Ų459.3 Ų59.32%0.02130%0.296CS..Hα-helixtrans-65.2-48.4171.5175.163.6000110.9A253 M254 L255 E259 K260 L261 F275 I276 L281A253-L257 PolarHBondContact O-N 2.68Å; A253-L257 VanDerWaalsContact O-N 3.07Å; M254-L257 WeakPolarHBondContact O-CB 3.43Å; M254-L257 PolarHBondContact O-N 2.89Å; M254-L257 VanDerWaalsContact O-N 3.14Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 3.19Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-E259 PolarHBondContact O-N 3.05Å; L257-K260 PolarHBondContact O-N 3.47Å; L257-L261 HydrophobicContact CD1-CD1 4.05Å; L257-L261 HydrophobicContact CD1-CG 4.19Å; L257-L261 HydrophobicContact CG-CD1 3.84Å; L257-L261 HydrophobicContact CG-CG 4.42Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.99Å; L257-F275 HydrophobicContact CD1-CB 4.04Å; L257-I276 HydrophobicContact CD1-CG1 4.21Å; L257-I276 HydrophobicContact CD2-CG1 4.3Å; L257-L281 HydrophobicContact CB-CD1 4.32Å; L257-L281 HydrophobicContact CD2-CD1 3.78Å
258F92.4Very high88.5Confident27 Ų2756.3 Ų56.312%0.11828%0.282CS..Hα-helixtrans-60.6-41.9177.8-68.4-49.9000112.5M254 L255 K260 L261 I262 F298 A301 I311M254-F258 HydrophobicContact CE-CE2 3.89Å; M254-F258 HydrophobicContact CE-CZ 3.75Å; M254-F258 VanDerWaalsContact O-CD2 3.29Å; M254-F258 WeakPolarHBondContact O-CD2 3.49Å; M254-F258 PolarHBondContact O-N 3.2Å; L255-F258 PolarHBondContact O-N 3.44Å; L255-F258 VanDerWaalsContact O-N 3.13Å; F258-K260 VanDerWaalsContact C-N 3.33Å; F258-K260 PolarHBondContact O-N 2.86Å; F258-L261 HydrophobicContact CD1-CD1 4.28Å; F258-L261 PolarHBondContact O-N 2.98Å; F258-L261 VanDerWaalsContact O-N 3.15Å; F258-I262 WeakPolarHBondContact O-CB 3.29Å; F258-I262 WeakPolarHBondContact O-CD1 3.47Å; F258-I262 VanDerWaalsContact O-CG1 3.26Å; F258-I262 WeakPolarHBondContact O-CG1 3.41Å; F258-I262 PolarHBondContact O-N 3.27Å; F258-F298 AromaticContact CE1-CD1 4Å; F258-F298 HydrophobicContact CE1-CD1 4Å; F258-F298 AromaticContact CE1-CE1 3.83Å; F258-F298 HydrophobicContact CE1-CE1 3.83Å; F258-F298 AromaticContact CZ-CD1 3.85Å; F258-F298 HydrophobicContact CZ-CD1 3.85Å; F258-F298 AromaticContact CZ-CE1 3.96Å; F258-F298 HydrophobicContact CZ-CE1 3.96Å; F258-A301 HydrophobicContact CE1-CB 4.25Å; F258-A301 HydrophobicContact CE2-CB 4.37Å; F258-A301 HydrophobicContact CZ-CB 3.84Å; F258-I311 HydrophobicContact CE1-CD1 4.48Å
259E91.6Very high88Confident118 Ų11853.8 Ų53.855%0.55126%0.264SS*.Hα-helixtrans-57.1-44.6174.5-75.2174.3-178.600112L255 H256 L257 S263L255-E259 WeakPolarHBondContact O-CG 3.36Å; L255-E259 PolarHBondContact O-N 3.03Å; H256-E259 IonicContact ND1-OE2 2.64Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-E259 PolarHBondContact O-N 3.05Å; E259-S263 VanDerWaalsContact O-CB 3.25Å; E259-S263 WeakPolarHBondContact O-CB 3.16Å; E259-S263 PolarHBondContact O-N 2.79Å; E259-S263 PolarHBondContact O-OG 2.73Å
260K90Very high87.5Confident73 Ų7359.4 Ų59.432%0.31729%0.285SS..Hα-helixtrans-64-39.3175.6-78.3-179.3174.2165.10112.6H256 L257 F258 S264 F275H256-K260 WeakPolarHBondContact NE2-CE 3.34Å; H256-K260 PolarHBondContact NE2-NZ 3.34Å; H256-K260 WeakPolarHBondContact O-CG 3.42Å; H256-K260 PolarHBondContact O-N 3.25Å; L257-K260 PolarHBondContact O-N 3.47Å; F258-K260 VanDerWaalsContact C-N 3.33Å; F258-K260 PolarHBondContact O-N 2.86Å; K260-S264 WeakPolarHBondContact O-CB 3.49Å; K260-S264 PolarHBondContact O-N 2.96Å; K260-F275 HydrophobicContact CB-CD1 4.4Å; K260-F275 HydrophobicContact CB-CG 4.35Å; K260-F275 HydrophobicContact CD-CD1 4.23Å
261L87.7Confident87.1Confident25 Ų2564.4 Ų64.413%0.13130%0.304CS..Hα-helixtrans-68.6-43.5179.3-68.9167.2000111.6L257 F258 S264 I272 F275 T314L257-L261 HydrophobicContact CD1-CD1 4.05Å; L257-L261 HydrophobicContact CD1-CG 4.19Å; L257-L261 HydrophobicContact CG-CD1 3.84Å; L257-L261 HydrophobicContact CG-CG 4.42Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.99Å; F258-L261 HydrophobicContact CD1-CD1 4.28Å; F258-L261 PolarHBondContact O-N 2.98Å; F258-L261 VanDerWaalsContact O-N 3.15Å; L261-S264 WeakPolarHBondContact O-CB 3.23Å; L261-S264 PolarHBondContact O-N 3.12Å; L261-I272 HydrophobicContact CD2-CB 3.95Å; L261-I272 HydrophobicContact CD2-CG1 3.75Å; L261-I272 HydrophobicContact CD2-CG2 3.62Å; L261-F275 HydrophobicContact CD2-CD2 4.12Å; L261-T314 HydrophobicContact CD1-CG2 3.41Å; L261-T314 VanDerWaalsContact CD1-CG2 3.41Å
262I84.1Confident86.8Confident141 Ų14161.2 Ų61.272%0.72329%0.29SS*.Hα-helixtrans-68.3-37.1178.4-66.5163000111.3F258 S264F258-I262 WeakPolarHBondContact O-CB 3.29Å; F258-I262 WeakPolarHBondContact O-CD1 3.47Å; F258-I262 VanDerWaalsContact O-CG1 3.26Å; F258-I262 WeakPolarHBondContact O-CG1 3.41Å; F258-I262 PolarHBondContact O-N 3.27Å; I262-S264 PolarHBondContact O-N 3.3Å
263S83.6Confident86.6Confident105 Ų10558.2 Ų58.273%0.73428%0.277SS*.THydrogen-bonded Turntrans-76.3-9.7179.1-55.50000113.6E259E259-S263 VanDerWaalsContact O-CB 3.25Å; E259-S263 WeakPolarHBondContact O-CB 3.16Å; E259-S263 PolarHBondContact O-N 2.79Å; E259-S263 PolarHBondContact O-OG 2.73Å
264S79.6Confident86.4Confident11 Ų1161.5 Ų61.58%0.07730%0.299CS..SBendtrans-84160.2179.3178.50000111.7K260 L261 I262 R266 R271K260-S264 WeakPolarHBondContact O-CB 3.49Å; K260-S264 PolarHBondContact O-N 2.96Å; L261-S264 WeakPolarHBondContact O-CB 3.23Å; L261-S264 PolarHBondContact O-N 3.12Å; I262-S264 PolarHBondContact O-N 3.3Å; S264-R266 PolarHBondContact O-N 3.44Å; S264-R271 WeakPolarHBondContact OG-CD 3.43Å; S264-R271 PolarHBondContact OG-NE 2.9Å
265E69.8Low86.3Confident101 Ų10163.4 Ų63.447%0.47231%0.307SS..PPolyproline II helixtrans-52.3128162.1-169.9-176.5173.600109R555E265-R555 IonicContact OE1-NE 3.51Å
266R70.3Confident86.3Confident155 Ų15559 Ų5959%0.58528%0.284SS*.SBendtrans-62.2149.4179.2-65.9-177.9178.9173.8-5.4109.7S264 C268S264-R266 PolarHBondContact O-N 3.44Å; R266-C268 PolarHBondContact O-N 3.16Å
267N67.6Low86.3Confident19 Ų1960.7 Ų60.710%0.10229%0.291CS..SBendtrans62.144.6168.3-54.9-35.5000115.3H520 I523 D527 R555N267-H520 PolarHBondContact ND2-O 2.92Å; N267-I523 HydrophobicContact CB-CB 4.46Å; N267-I523 HydrophobicContact CB-CG2 3.67Å; N267-D527 WeakPolarHBondContact O-CB 3.1Å; N267-R555 PolarHBondContact O-NH2 3.19Å; N267-R555 VanDerWaalsContact O-NH2 3.08Å
268C82.8Confident86.3Confident20 Ų2065 Ų6514%0.13531%0.314CS..  trans-126.889.3169.1-174.20000110.4R266 R270 R271 I272 D527R266-C268 PolarHBondContact O-N 3.16Å; C268-R270 VanDerWaalsContact C-N 3.28Å; C268-R270 PolarHBondContact O-N 3.44Å; C268-R271 HydrophobicContact CB-CB 4.08Å; C268-R271 WeakPolarHBondContact O-CB 3.3Å; C268-R271 PolarHBondContact O-N 3.13Å; C268-I272 WeakPolarHBondContact O-CG1 3.32Å; C268-I272 PolarHBondContact O-N 3.44Å; C268-D527 WeakPolarHBondContact CA-OD2 2.84Å
269L85.2Confident86.3Confident10 Ų1065 Ų655%0.05232%0.317CS..Hα-helixtrans-57.7-36.7-178-69.3-169.2000113R271 I272 E273 A313 V317 D527 Q528 Y531L269-R271 PolarHBondContact O-N 2.98Å; L269-I272 HydrophobicContact CD2-CD1 3.97Å; L269-I272 PolarHBondContact O-N 3.22Å; L269-E273 WeakPolarHBondContact O-CB 3.16Å; L269-E273 PolarHBondContact O-N 3.44Å; L269-A313 HydrophobicContact CD2-CB 3.67Å; L269-V317 HydrophobicContact CB-CG2 4.46Å; L269-V317 HydrophobicContact CD2-CG2 3.92Å; L269-D527 WeakPolarHBondContact CB-OD2 3Å; L269-D527 PolarHBondContact N-OD2 3.49Å; L269-Q528 VanDerWaalsContact CD1-CA 3.47Å; L269-Q528 HydrophobicContact CD1-CB 3.89Å; L269-Q528 HydrophobicContact CD1-CG 4.15Å; L269-Y531 HydrophobicContact CB-CD1 4.37Å; L269-Y531 HydrophobicContact CB-CD2 4Å; L269-Y531 HydrophobicContact CB-CG 3.92Å; L269-Y531 HydrophobicContact CD1-CD1 3.72Å; L269-Y531 HydrophobicContact CD1-CG 3.78Å
270R86.2Confident86.4Confident121 Ų12160.5 Ų60.546%0.45730%0.299SS..Hα-helixtrans-60.5-37.1175.4-71.1-175.3177.6-158.2-3.1111.8C268 C274 Y531 N534C268-R270 VanDerWaalsContact C-N 3.28Å; C268-R270 PolarHBondContact O-N 3.44Å; R270-C274 PolarHBondContact O-N 2.89Å; R270-C274 VanDerWaalsContact O-N 3.08Å; R270-C274 PolarHBondContact O-SG 3.24Å; R270-Y531 HydrophobicContact CG-CD2 4.13Å; R270-N534 PolarHBondContact NH2-ND2 2.78Å
271R88.5Confident86.7Confident106 Ų10657 Ų5740%0.428%0.284SS..Hα-helixtrans-75.2-39.5178.2-171167.6179.5-177.2-0.6111.3S264 C268 L269 E273 C274 F275S264-R271 WeakPolarHBondContact OG-CD 3.43Å; S264-R271 PolarHBondContact OG-NE 2.9Å; C268-R271 HydrophobicContact CB-CB 4.08Å; C268-R271 WeakPolarHBondContact O-CB 3.3Å; C268-R271 PolarHBondContact O-N 3.13Å; L269-R271 PolarHBondContact O-N 2.98Å; R271-E273 VanDerWaalsContact C-N 3.3Å; R271-E273 PolarHBondContact O-N 3.35Å; R271-C274 WeakPolarHBondContact O-CB 3.42Å; R271-C274 PolarHBondContact O-N 3.14Å; R271-F275 HydrophobicContact CG-CD2 4.25Å; R271-F275 HydrophobicContact CG-CE2 3.59Å; R271-F275 HydrophobicContact CG-CZ 3.9Å; R271-F275 VanDerWaalsContact O-CD2 3.23Å; R271-F275 WeakPolarHBondContact O-CD2 3.46Å; R271-F275 WeakPolarHBondContact O-CG 3.38Å; R271-F275 PolarHBondContact O-N 3.07Å
272I91.1Very high87.1Confident15 Ų1555.9 Ų55.98%0.07728%0.278CS..Hα-helixtrans-57.5-45.8170.8-61.2171.7000110L261 C268 L269 C274 F275 I276 V317L261-I272 HydrophobicContact CD2-CB 3.95Å; L261-I272 HydrophobicContact CD2-CG1 3.75Å; L261-I272 HydrophobicContact CD2-CG2 3.62Å; C268-I272 WeakPolarHBondContact O-CG1 3.32Å; C268-I272 PolarHBondContact O-N 3.44Å; L269-I272 HydrophobicContact CD2-CD1 3.97Å; L269-I272 PolarHBondContact O-N 3.22Å; I272-C274 PolarHBondContact O-N 3.19Å; I272-F275 PolarHBondContact O-N 3.23Å; I272-I276 HydrophobicContact CG2-CD1 3.59Å; I272-I276 HydrophobicContact CG2-CG1 4.35Å; I272-I276 WeakPolarHBondContact O-CB 3.37Å; I272-I276 WeakPolarHBondContact O-CG1 3.31Å; I272-I276 PolarHBondContact O-N 3.07Å; I272-V317 HydrophobicContact CG2-CB 4.17Å; I272-V317 HydrophobicContact CG2-CG1 4.28Å; I272-V317 HydrophobicContact CG2-CG2 4.34Å
273E92.6Very high87.6Confident31 Ų3152.7 Ų52.715%0.14526%0.26CS..Hα-helixtrans-59.5-44.1176.5-175.6-177.1-160.700112.1L269 R271 I276 K277 V317 Y531L269-E273 WeakPolarHBondContact O-CB 3.16Å; L269-E273 PolarHBondContact O-N 3.44Å; R271-E273 VanDerWaalsContact C-N 3.3Å; R271-E273 PolarHBondContact O-N 3.35Å; E273-I276 PolarHBondContact O-N 3.43Å; E273-K277 HydrophobicContact CG-CD 4.06Å; E273-K277 HydrophobicContact CG-CG 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.39Å; E273-K277 WeakPolarHBondContact O-CG 3.44Å; E273-K277 PolarHBondContact O-N 3.12Å; E273-K277 VanDerWaalsContact OE1-CE 3.23Å; E273-K277 WeakPolarHBondContact OE1-CE 3.33Å; E273-K277 IonicContact OE1-NZ 3.08Å; E273-K277 PolarHBondContact OE1-NZ 3.47Å; E273-V317 VanDerWaalsContact CA-CG1 3.47Å; E273-V317 HydrophobicContact CB-CG1 3.64Å; E273-V317 HydrophobicContact CG-CG1 4.12Å; E273-Y531 PolarHBondContact OE1-OH 2.96Å; E273-Y531 VanDerWaalsContact OE2-CE2 3.25Å; E273-Y531 WeakPolarHBondContact OE2-CE2 3.22Å; E273-Y531 PolarHBondContact OE2-OH 3.35Å
274C92.6Very high88.1Confident72 Ų7247.7 Ų47.749%0.48623%0.225SC..Hα-helixtrans-57.4-49.9174.1-70.10000111.5R270 R271 I272 I276 K277 D278R270-C274 PolarHBondContact O-N 2.89Å; R270-C274 VanDerWaalsContact O-N 3.08Å; R270-C274 PolarHBondContact O-SG 3.24Å; R271-C274 WeakPolarHBondContact O-CB 3.42Å; R271-C274 PolarHBondContact O-N 3.14Å; I272-C274 PolarHBondContact O-N 3.19Å; C274-I276 VanDerWaalsContact C-N 3.34Å; C274-I276 PolarHBondContact O-N 3.35Å; C274-K277 PolarHBondContact O-N 3.45Å; C274-D278 WeakPolarHBondContact O-CB 3.23Å; C274-D278 PolarHBondContact O-N 3.06Å
275F93.5Very high88.9Confident40 Ų4047.1 Ų47.118%0.17522%0.221CC..Hα-helixtrans-62.3-41179.1-64-43.8000112.9L257 K260 L261 R271 I272 D278 S279L257-F275 HydrophobicContact CD1-CB 4.04Å; K260-F275 HydrophobicContact CB-CD1 4.4Å; K260-F275 HydrophobicContact CB-CG 4.35Å; K260-F275 HydrophobicContact CD-CD1 4.23Å; L261-F275 HydrophobicContact CD2-CD2 4.12Å; R271-F275 HydrophobicContact CG-CD2 4.25Å; R271-F275 HydrophobicContact CG-CE2 3.59Å; R271-F275 HydrophobicContact CG-CZ 3.9Å; R271-F275 VanDerWaalsContact O-CD2 3.23Å; R271-F275 WeakPolarHBondContact O-CD2 3.46Å; R271-F275 WeakPolarHBondContact O-CG 3.38Å; R271-F275 PolarHBondContact O-N 3.07Å; I272-F275 PolarHBondContact O-N 3.23Å; F275-D278 PolarHBondContact O-N 3.11Å; F275-S279 WeakPolarHBondContact O-CB 3.49Å; F275-S279 PolarHBondContact O-N 3.29Å
276I95Very high89.9Confident0 Ų043 Ų430%020%0.203CC..Hα-helixtrans-63.5-45.7177.1-75.3170.6000110.5L257 I272 E273 C274 S279 P282 T314 V317 F318 C321L257-I276 HydrophobicContact CD1-CG1 4.21Å; L257-I276 HydrophobicContact CD2-CG1 4.3Å; I272-I276 HydrophobicContact CG2-CD1 3.59Å; I272-I276 HydrophobicContact CG2-CG1 4.35Å; I272-I276 WeakPolarHBondContact O-CB 3.37Å; I272-I276 WeakPolarHBondContact O-CG1 3.31Å; I272-I276 PolarHBondContact O-N 3.07Å; E273-I276 PolarHBondContact O-N 3.43Å; C274-I276 VanDerWaalsContact C-N 3.34Å; C274-I276 PolarHBondContact O-N 3.35Å; I276-S279 PolarHBondContact O-N 3.28Å; I276-S279 PolarHBondContact O-OG 3.43Å; I276-P282 HydrophobicContact CG2-CG 3.46Å; I276-P282 VanDerWaalsContact CG2-CG 3.46Å; I276-P282 VanDerWaalsContact O-CD 3.31Å; I276-P282 WeakPolarHBondContact O-CD 3.36Å; I276-T314 HydrophobicContact CD1-CG2 4.16Å; I276-V317 HydrophobicContact CD1-CB 3.79Å; I276-V317 HydrophobicContact CD1-CG1 3.62Å; I276-F318 HydrophobicContact CD1-CB 4.08Å; I276-F318 HydrophobicContact CG2-CB 4.5Å; I276-F318 HydrophobicContact CG2-CD2 4.27Å; I276-C321 HydrophobicContact CG2-CB 3.84Å
277K93.8Very high91Very high80 Ų8038.1 Ų38.135%0.34819%0.187SC..Hα-helixtrans-65.8-39.8177.3-72.5-178.9-177.8176.90112E273 C274 S279 S280 E324E273-K277 HydrophobicContact CG-CD 4.06Å; E273-K277 HydrophobicContact CG-CG 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.39Å; E273-K277 WeakPolarHBondContact O-CG 3.44Å; E273-K277 PolarHBondContact O-N 3.12Å; E273-K277 VanDerWaalsContact OE1-CE 3.23Å; E273-K277 WeakPolarHBondContact OE1-CE 3.33Å; E273-K277 IonicContact OE1-NZ 3.08Å; E273-K277 PolarHBondContact OE1-NZ 3.47Å; C274-K277 PolarHBondContact O-N 3.45Å; K277-S279 VanDerWaalsContact C-N 3.26Å; K277-S279 PolarHBondContact O-N 2.95Å; K277-S280 PolarHBondContact O-N 3.15Å; K277-E324 IonicContact NZ-OE2 2.76Å
278D93.1Very high92.2Very high96 Ų9637.8 Ų37.851%0.51319%0.186SC..Hα-helixtrans-68.5-25178.8-72.9-14.5000113.1K230 C274 F275 S280K230-D278 PolarHBondContact NZ-O 2.89Å; C274-D278 WeakPolarHBondContact O-CB 3.23Å; C274-D278 PolarHBondContact O-N 3.06Å; F275-D278 PolarHBondContact O-N 3.11Å; D278-S280 VanDerWaalsContact C-N 3.28Å; D278-S280 PolarHBondContact O-N 3.22Å
279S94.1Very high92.6Very high26 Ų2639 Ų3918%0.18220%0.198CC..THydrogen-bonded Turntrans-70.7-17.4-179.676.80000114.4F275 I276 K277 L281F275-S279 WeakPolarHBondContact O-CB 3.49Å; F275-S279 PolarHBondContact O-N 3.29Å; I276-S279 PolarHBondContact O-N 3.28Å; I276-S279 PolarHBondContact O-OG 3.43Å; K277-S279 VanDerWaalsContact C-N 3.26Å; K277-S279 PolarHBondContact O-N 2.95Å; S279-L281 PolarHBondContact O-N 3Å; S279-L281 VanDerWaalsContact O-N 3.08Å; S279-L281 WeakPolarHBondContact OG-CB 3.34Å; S279-L281 PolarHBondContact OG-N 3.02Å
280S93.2Very high93.1Very high24 Ų2438.6 Ų38.617%0.16820%0.196CC..  trans63.2-1.8-171.1-54.70000115.8K277 D278 Q283 A284K277-S280 PolarHBondContact O-N 3.15Å; D278-S280 VanDerWaalsContact C-N 3.28Å; D278-S280 PolarHBondContact O-N 3.22Å; S280-Q283 PolarHBondContact O-N 3.04Å; S280-Q283 PolarHBondContact O-OE1 3.41Å; S280-A284 PolarHBondContact O-N 3.2Å; S280-A284 VanDerWaalsContact O-N 3.07Å
281L96.8Very high93.6Very high0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-60.4-44.4179.9-70.4162.8000112.9W243 L250 M254 L257 S279 Q283 A284 A285 V294 F318W243-L281 HydrophobicContact CE3-CD2 4.36Å; W243-L281 HydrophobicContact CH2-CD2 3.9Å; W243-L281 HydrophobicContact CH2-CG 4.23Å; W243-L281 HydrophobicContact CZ3-CD2 3.77Å; W243-L281 HydrophobicContact CZ3-CG 4.36Å; L250-L281 HydrophobicContact CD1-CD2 3.74Å; M254-L281 HydrophobicContact CG-CD1 4.4Å; M254-L281 HydrophobicContact CG-CD2 4.44Å; M254-L281 HydrophobicContact SD-CD1 3.53Å; M254-L281 VanDerWaalsContact SD-CD1 3.53Å; M254-L281 HydrophobicContact SD-CD2 4.23Å; M254-L281 HydrophobicContact SD-CG 4.48Å; L257-L281 HydrophobicContact CB-CD1 4.32Å; L257-L281 HydrophobicContact CD2-CD1 3.78Å; S279-L281 PolarHBondContact O-N 3Å; S279-L281 VanDerWaalsContact O-N 3.08Å; S279-L281 WeakPolarHBondContact OG-CB 3.34Å; S279-L281 PolarHBondContact OG-N 3.02Å; L281-Q283 VanDerWaalsContact C-N 3.29Å; L281-Q283 PolarHBondContact O-N 2.81Å; L281-A284 PolarHBondContact O-N 3.36Å; L281-A285 WeakPolarHBondContact O-CB 3.29Å; L281-A285 PolarHBondContact O-N 2.98Å; L281-V294 HydrophobicContact CD2-CG2 4.07Å; L281-F318 HydrophobicContact CB-CE2 4.04Å
282P95.6Very high93.8Very high1 Ų133 Ų331%0.00617%0.174CC..Hα-helixtrans-59.2-39.4179.2-25.134.6000113.3I276 F318 C321I276-P282 HydrophobicContact CG2-CG 3.46Å; I276-P282 VanDerWaalsContact CG2-CG 3.46Å; I276-P282 VanDerWaalsContact O-CD 3.31Å; I276-P282 WeakPolarHBondContact O-CD 3.36Å; P282-F318 HydrophobicContact CG-CD2 4.17Å; P282-F318 HydrophobicContact CG-CE2 4.15Å; P282-C321 HydrophobicContact CB-CB 3.82Å; P282-C321 HydrophobicContact CG-CB 3.68Å
283Q94.2Very high94.1Very high73 Ų7334.2 Ų34.234%0.34118%0.182SC..Hα-helixtrans-72.1-40.4179.8-63.383.3-6.500111.7M236 S280 L281 C286 A325M236-Q283 HydrophobicContact CE-CB 3.64Å; M236-Q283 HydrophobicContact CE-CG 4.19Å; M236-Q283 HydrophobicContact CG-CB 4.32Å; M236-Q283 HydrophobicContact SD-CB 3.89Å; S280-Q283 PolarHBondContact O-N 3.04Å; S280-Q283 PolarHBondContact O-OE1 3.41Å; L281-Q283 VanDerWaalsContact C-N 3.29Å; L281-Q283 PolarHBondContact O-N 2.81Å; Q283-C286 WeakPolarHBondContact O-CB 3.45Å; Q283-C286 PolarHBondContact O-N 3.15Å; Q283-A325 HydrophobicContact CG-CB 4.36Å
284A94.4Very high94.3Very high0 Ų032.8 Ų32.80%018%0.176CC..Hα-helixtrans-71.2-33.6176.700000112.3M236 V240 W243 S280 L281 C286 H287 I290M236-A284 HydrophobicContact SD-CB 4.4Å; V240-A284 HydrophobicContact CG2-CB 3.87Å; W243-A284 HydrophobicContact CE3-CB 3.46Å; W243-A284 VanDerWaalsContact CE3-CB 3.46Å; W243-A284 HydrophobicContact CZ3-CB 3.32Å; S280-A284 PolarHBondContact O-N 3.2Å; S280-A284 VanDerWaalsContact O-N 3.07Å; L281-A284 PolarHBondContact O-N 3.36Å; A284-C286 PolarHBondContact O-N 3.22Å; A284-C286 VanDerWaalsContact O-N 3.15Å; A284-H287 WeakPolarHBondContact O-CB 3.39Å; A284-H287 PolarHBondContact O-N 2.88Å; A284-I290 HydrophobicContact CB-CD1 4.01Å; A284-I290 HydrophobicContact CB-CG2 4.24Å
285A95.2Very high94.4Very high0 Ų029.8 Ų29.80%016%0.155CC..THydrogen-bonded Turntrans-65.8-10.4176.300000113.3L281 H287 I290 F291 F318 F322 Y340L281-A285 WeakPolarHBondContact O-CB 3.29Å; L281-A285 PolarHBondContact O-N 2.98Å; A285-H287 CarbonylContact O-C 3.59Å; A285-H287 PolarHBondContact O-N 3.42Å; A285-I290 HydrophobicContact CB-CG2 4.48Å; A285-F291 HydrophobicContact CB-CB 4.23Å; A285-F291 HydrophobicContact CB-CD2 4.23Å; A285-F291 WeakPolarHBondContact O-CB 3.24Å; A285-F318 HydrophobicContact CB-CZ 3.84Å; A285-F322 HydrophobicContact CB-CD2 4.02Å; A285-F322 HydrophobicContact CB-CE2 4.45Å; A285-F322 WeakPolarHBondContact O-CE2 3.41Å; A285-Y340 WeakPolarHBondContact O-CE1 3.32Å
286C92.9Very high94.5Very high14 Ų1432 Ų3210%0.09517%0.166CC..THydrogen-bonded Turntrans-56.9-15.4162.6-66.60000112.8Q283 A284 Y340Q283-C286 WeakPolarHBondContact O-CB 3.45Å; Q283-C286 PolarHBondContact O-N 3.15Å; A284-C286 PolarHBondContact O-N 3.22Å; A284-C286 VanDerWaalsContact O-N 3.15Å; C286-Y340 PolarHBondContact O-OH 2.94Å
287H92.2Very high94.6Very high52 Ų5233.7 Ų33.724%0.24117%0.174CC..SBendtrans-89.7119.6163.7-166.7-75.1000110.7V240 A284 A285 A289 I290 F291V240-H287 HydrophobicContact CG1-CB 4.31Å; A284-H287 WeakPolarHBondContact O-CB 3.39Å; A284-H287 PolarHBondContact O-N 2.88Å; A285-H287 CarbonylContact O-C 3.59Å; A285-H287 PolarHBondContact O-N 3.42Å; H287-A289 VanDerWaalsContact C-N 3.27Å; H287-A289 PolarHBondContact ND1-N 3.18Å; H287-A289 PolarHBondContact O-N 2.99Å; H287-A289 VanDerWaalsContact O-N 3.1Å; H287-I290 HydrophobicContact CB-CD1 4.33Å; H287-I290 HydrophobicContact CB-CG1 4.42Å; H287-I290 PolarHBondContact O-N 3.3Å; H287-F291 PolarHBondContact O-N 3.2Å
288P92.3Very high94.7Very high12 Ų1229.9 Ų29.98%0.07816%0.158CC..Hα-helixtrans-57.4-32.7-172.5-27.932.9000115.4F291 R292 F335 T339 Y340P288-F291 PolarHBondContact O-N 2.88Å; P288-R292 VanDerWaalsContact O-CG 3.3Å; P288-R292 WeakPolarHBondContact O-CG 3.45Å; P288-R292 PolarHBondContact O-N 2.87Å; P288-F335 HydrophobicContact CG-CB 3.63Å; P288-F335 HydrophobicContact CG-CD1 3.86Å; P288-F335 HydrophobicContact CG-CD2 3.58Å; P288-F335 HydrophobicContact CG-CE1 4.39Å; P288-F335 HydrophobicContact CG-CE2 4.15Å; P288-F335 HydrophobicContact CG-CG 3.4Å; P288-F335 VanDerWaalsContact CG-CG 3.4Å; P288-T339 WeakPolarHBondContact CG-OG1 3.42Å; P288-Y340 HydrophobicContact CB-CD1 4.29Å; P288-Y340 HydrophobicContact CB-CE1 4.22Å; P288-Y340 HydrophobicContact CG-CD1 4.32Å; P288-Y340 HydrophobicContact CG-CE1 3.82Å
289A92Very high94.8Very high47 Ų4726.4 Ų26.439%0.38814%0.137SC..Hα-helixtrans-65.2-38.8176.700000112.3L244 H287 V293L244-A289 HydrophobicContact CD2-CB 3.76Å; H287-A289 VanDerWaalsContact C-N 3.27Å; H287-A289 PolarHBondContact ND1-N 3.18Å; H287-A289 PolarHBondContact O-N 2.99Å; H287-A289 VanDerWaalsContact O-N 3.1Å; A289-V293 PolarHBondContact O-N 3.05Å
290I96Very high94.8Very high1 Ų128.1 Ų28.11%0.00515%0.148CC..Hα-helixtrans-70-46.1175.2-64.5178.9000109.2V240 W243 L244 L250 A284 A285 H287 R292 V293 V294V240-I290 HydrophobicContact CB-CD1 4.26Å; V240-I290 HydrophobicContact CG1-CD1 3.93Å; V240-I290 HydrophobicContact CG2-CD1 4.24Å; W243-I290 HydrophobicContact CB-CD1 4.04Å; W243-I290 HydrophobicContact CB-CG1 4.46Å; W243-I290 HydrophobicContact CE3-CD1 4.45Å; W243-I290 HydrophobicContact CE3-CG2 4.48Å; L244-I290 HydrophobicContact CD2-CD1 4.3Å; L244-I290 HydrophobicContact CD2-CG1 3.79Å; L244-I290 HydrophobicContact CG-CD1 4.14Å; L244-I290 HydrophobicContact CG-CG1 4.17Å; L250-I290 HydrophobicContact CD1-CG2 4.13Å; L250-I290 HydrophobicContact CD2-CG2 4.06Å; A284-I290 HydrophobicContact CB-CD1 4.01Å; A284-I290 HydrophobicContact CB-CG2 4.24Å; A285-I290 HydrophobicContact CB-CG2 4.48Å; H287-I290 HydrophobicContact CB-CD1 4.33Å; H287-I290 HydrophobicContact CB-CG1 4.42Å; H287-I290 PolarHBondContact O-N 3.3Å; I290-R292 VanDerWaalsContact C-N 3.3Å; I290-R292 PolarHBondContact O-N 3.29Å; I290-V293 PolarHBondContact O-N 3.28Å; I290-V294 HydrophobicContact CG2-CG2 4.22Å; I290-V294 WeakPolarHBondContact O-CG2 3.38Å; I290-V294 PolarHBondContact O-N 3.43Å
291F95.4Very high94.8Very high0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-51.2-50.1176.5-178.3-88.8000111.7A285 H287 P288 V293 V294 D295 F318 F322 Y340 F341A285-F291 HydrophobicContact CB-CB 4.23Å; A285-F291 HydrophobicContact CB-CD2 4.23Å; A285-F291 WeakPolarHBondContact O-CB 3.24Å; H287-F291 PolarHBondContact O-N 3.2Å; P288-F291 PolarHBondContact O-N 2.88Å; F291-V293 VanDerWaalsContact C-N 3.32Å; F291-V293 PolarHBondContact O-N 2.96Å; F291-V294 PolarHBondContact O-N 2.97Å; F291-D295 HydrophobicContact CD1-CB 4.23Å; F291-D295 HydrophobicContact CE1-CB 3.96Å; F291-D295 HydrophobicContact CZ-CB 4.49Å; F291-D295 WeakPolarHBondContact O-CB 3.17Å; F291-D295 PolarHBondContact O-N 3.32Å; F291-F318 HydrophobicContact CD2-CE1 4.49Å; F291-F318 HydrophobicContact CE2-CE1 4.26Å; F291-F322 HydrophobicContact CD2-CD1 4.23Å; F291-F322 HydrophobicContact CD2-CD2 4.04Å; F291-F322 AromaticContact CD2-CE1 3.98Å; F291-F322 HydrophobicContact CD2-CE1 3.98Å; F291-F322 AromaticContact CD2-CE2 3.79Å; F291-F322 HydrophobicContact CD2-CE2 3.79Å; F291-F322 HydrophobicContact CD2-CG 4.25Å; F291-F322 AromaticContact CD2-CZ 3.75Å; F291-F322 HydrophobicContact CD2-CZ 3.75Å; F291-F322 AromaticContact CE2-CD1 3.76Å; F291-F322 HydrophobicContact CE2-CD1 3.76Å; F291-F322 HydrophobicContact CE2-CD2 4.38Å; F291-F322 AromaticContact CE2-CE1 3.63Å; F291-F322 HydrophobicContact CE2-CE1 3.63Å; F291-F322 HydrophobicContact CE2-CE2 4.27Å; F291-F322 HydrophobicContact CE2-CG 4.13Å; F291-F322 AromaticContact CE2-CZ 3.91Å; F291-F322 HydrophobicContact CE2-CZ 3.91Å; F291-F322 HydrophobicContact CZ-CE1 4.49Å; F291-Y340 HydrophobicContact CB-CD1 3.8Å; F291-Y340 HydrophobicContact CB-CE1 4.34Å; F291-Y340 HydrophobicContact CD1-CD1 4.06Å; F291-Y340 WeakPolarHBondContact CD1-O 3.34Å; F291-Y340 HydrophobicContact CD2-CD1 4.04Å; F291-Y340 WeakPolarHBondContact CE1-O 3.38Å; F291-Y340 AromaticContact CG-CD1 3.69Å; F291-Y340 HydrophobicContact CG-CD1 3.69Å; F291-Y340 HydrophobicContact CG-CG 4.5Å; F291-F341 HydrophobicContact CE1-CD1 4.24Å; F291-F341 AromaticContact CE1-CE1 3.95Å; F291-F341 HydrophobicContact CE1-CE1 3.95Å; F291-F341 HydrophobicContact CE1-CZ 4.3Å; F291-F341 HydrophobicContact CE2-CZ 4.45Å; F291-F341 HydrophobicContact CZ-CD1 4.3Å; F291-F341 AromaticContact CZ-CE1 3.57Å; F291-F341 HydrophobicContact CZ-CE1 3.57Å; F291-F341 HydrophobicContact CZ-CE2 4.43Å; F291-F341 AromaticContact CZ-CZ 3.64Å; F291-F341 HydrophobicContact CZ-CZ 3.64Å
292R94.3Very high94.7Very high109 Ų10928 Ų2841%0.41115%0.149SC..Hα-helixtrans-60.8-38.4-177.8-74.9176.6-175.5-160.8-3113.6P288 I290 E296 T339P288-R292 VanDerWaalsContact O-CG 3.3Å; P288-R292 WeakPolarHBondContact O-CG 3.45Å; P288-R292 PolarHBondContact O-N 2.87Å; I290-R292 VanDerWaalsContact C-N 3.3Å; I290-R292 PolarHBondContact O-N 3.29Å; R292-E296 VanDerWaalsContact O-CB 3.27Å; R292-E296 WeakPolarHBondContact O-CB 3.28Å; R292-E296 PolarHBondContact O-N 3.43Å; R292-T339 PolarHBondContact NE-O 3.47Å; R292-T339 PolarHBondContact NH2-O 2.82Å
293V95.9Very high94.5Very high41 Ų4132.1 Ų32.125%0.24817%0.17CC..Hα-helixtrans-68.8-45.2176.9174.60000110.2L247 L250 A289 I290 F291 D295 E296 M297L247-V293 HydrophobicContact CD1-CB 4.45Å; L247-V293 HydrophobicContact CD1-CG1 3.65Å; L247-V293 HydrophobicContact CD1-CG2 3.97Å; L250-V293 HydrophobicContact CD2-CB 3.73Å; L250-V293 HydrophobicContact CD2-CG1 3.65Å; L250-V293 HydrophobicContact CD2-CG2 4.31Å; L250-V293 HydrophobicContact CG-CG1 4.12Å; A289-V293 PolarHBondContact O-N 3.05Å; I290-V293 PolarHBondContact O-N 3.28Å; F291-V293 VanDerWaalsContact C-N 3.32Å; F291-V293 PolarHBondContact O-N 2.96Å; V293-D295 VanDerWaalsContact C-N 3.32Å; V293-D295 PolarHBondContact O-N 2.98Å; V293-E296 PolarHBondContact O-N 3.06Å; V293-M297 HydrophobicContact CG1-SD 4.48Å; V293-M297 WeakPolarHBondContact O-CG 3.49Å; V293-M297 PolarHBondContact O-N 3.48Å
294V97.2Very high94.4Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-59.9-44.9176.6170.60000111.1L250 M254 L281 I290 F291 M297 F298 F318L250-V294 HydrophobicContact CD1-CG2 4.16Å; M254-V294 HydrophobicContact CE-CG1 4.04Å; M254-V294 HydrophobicContact CG-CG2 4.28Å; M254-V294 HydrophobicContact SD-CB 4.28Å; M254-V294 HydrophobicContact SD-CG1 3.76Å; M254-V294 HydrophobicContact SD-CG2 4Å; L281-V294 HydrophobicContact CD2-CG2 4.07Å; I290-V294 HydrophobicContact CG2-CG2 4.22Å; I290-V294 WeakPolarHBondContact O-CG2 3.38Å; I290-V294 PolarHBondContact O-N 3.43Å; F291-V294 PolarHBondContact O-N 2.97Å; V294-M297 PolarHBondContact O-N 2.61Å; V294-F298 HydrophobicContact CG1-CD2 3.86Å; V294-F298 HydrophobicContact CG1-CE2 3.46Å; V294-F298 VanDerWaalsContact CG1-CE2 3.46Å; V294-F298 HydrophobicContact CG1-CZ 4.37Å; V294-F298 VanDerWaalsContact O-CD2 3.26Å; V294-F298 WeakPolarHBondContact O-CD2 3.26Å; V294-F298 PolarHBondContact O-N 3.25Å; V294-F318 HydrophobicContact CB-CZ 4.39Å; V294-F318 HydrophobicContact CG1-CE1 3.85Å; V294-F318 HydrophobicContact CG1-CE2 3.83Å; V294-F318 HydrophobicContact CG1-CZ 3.46Å; V294-F318 VanDerWaalsContact CG1-CZ 3.46Å
295D95.4Very high94.2Very high10 Ų1039.6 Ų39.65%0.05321%0.209CC..Hα-helixtrans-62-43.1177.6-163.558.2000112F291 V293 F298 R299 H399F291-D295 HydrophobicContact CD1-CB 4.23Å; F291-D295 HydrophobicContact CE1-CB 3.96Å; F291-D295 HydrophobicContact CZ-CB 4.49Å; F291-D295 WeakPolarHBondContact O-CB 3.17Å; F291-D295 PolarHBondContact O-N 3.32Å; V293-D295 VanDerWaalsContact C-N 3.32Å; V293-D295 PolarHBondContact O-N 2.98Å; D295-F298 WeakPolarHBondContact O-CB 3.45Å; D295-F298 PolarHBondContact O-N 3.25Å; D295-R299 PolarHBondContact O-N 3.22Å; D295-H399 IonicContact OD1-CE1 2.79Å; D295-H399 PolarHBondContact OD1-CE1 3.1Å; D295-H399 IonicContact OD1-NE2 3.44Å; D295-H399 PolarHBondContact OD1-NE2 3.19Å
296E95.5Very high93.7Very high87 Ų8745.3 Ų45.341%0.40724%0.24SC..Hα-helixtrans-66.1-38.5175.3-170.862.3-16800112R292 V293 F298 R299 C300R292-E296 VanDerWaalsContact O-CB 3.27Å; R292-E296 WeakPolarHBondContact O-CB 3.28Å; R292-E296 PolarHBondContact O-N 3.43Å; V293-E296 PolarHBondContact O-N 3.06Å; E296-F298 VanDerWaalsContact C-N 3.33Å; E296-F298 PolarHBondContact O-N 3.46Å; E296-R299 WeakPolarHBondContact O-CB 3.39Å; E296-R299 PolarHBondContact O-N 2.96Å; E296-R299 VanDerWaalsContact OE2-CD 3.29Å; E296-R299 WeakPolarHBondContact OE2-CD 3.45Å; E296-R299 IonicContact OE2-CZ 2.84Å; E296-R299 IonicContact OE2-NE 2.66Å; E296-R299 PolarHBondContact OE2-NE 3.04Å; E296-C300 PolarHBondContact O-N 3.34Å; E296-C300 PolarHBondContact O-SG 3.46Å
297M96.4Very high93.3Very high35 Ų3545.8 Ų45.817%0.17225%0.247CC..Hα-helixtrans-65.8-36.6174.5-71.8-172.276.700112.2E251 M254 L255 V293 V294 C300 A301E251-M297 HydrophobicContact CB-CE 4.34Å; E251-M297 HydrophobicContact CB-SD 4.33Å; E251-M297 HydrophobicContact CG-SD 4.13Å; M254-M297 HydrophobicContact CB-CE 3.38Å; M254-M297 HydrophobicContact CB-SD 3.41Å; M254-M297 WeakPolarHBondContact CB-SD 3.32Å; M254-M297 HydrophobicContact CE-CB 3.94Å; M254-M297 HydrophobicContact CG-CE 4.2Å; M254-M297 HydrophobicContact CG-SD 3.54Å; M254-M297 VanDerWaalsContact CG-SD 3.54Å; L255-M297 HydrophobicContact CG-CE 4.43Å; V293-M297 HydrophobicContact CG1-SD 4.48Å; V293-M297 WeakPolarHBondContact O-CG 3.49Å; V293-M297 PolarHBondContact O-N 3.48Å; V294-M297 PolarHBondContact O-N 2.61Å; M297-C300 PolarHBondContact O-N 3.11Å; M297-A301 WeakPolarHBondContact O-CB 3.49Å; M297-A301 PolarHBondContact O-N 2.98Å
298F96.4Very high93Very high0 Ų044.8 Ų44.80%025%0.247CC..Hα-helixtrans-64.7-42.1170.9-77.7-50.5000112.3M254 F258 V294 D295 E296 C300 A301 L302 T314 I315 F318M254-F298 HydrophobicContact CE-CD1 4.26Å; M254-F298 HydrophobicContact CE-CD2 4.4Å; M254-F298 HydrophobicContact CE-CE1 3.96Å; M254-F298 HydrophobicContact CE-CE2 4.13Å; M254-F298 HydrophobicContact CE-CG 4.46Å; M254-F298 HydrophobicContact CE-CZ 3.89Å; F258-F298 AromaticContact CE1-CD1 4Å; F258-F298 HydrophobicContact CE1-CD1 4Å; F258-F298 AromaticContact CE1-CE1 3.83Å; F258-F298 HydrophobicContact CE1-CE1 3.83Å; F258-F298 AromaticContact CZ-CD1 3.85Å; F258-F298 HydrophobicContact CZ-CD1 3.85Å; F258-F298 AromaticContact CZ-CE1 3.96Å; F258-F298 HydrophobicContact CZ-CE1 3.96Å; V294-F298 HydrophobicContact CG1-CD2 3.86Å; V294-F298 HydrophobicContact CG1-CE2 3.46Å; V294-F298 VanDerWaalsContact CG1-CE2 3.46Å; V294-F298 HydrophobicContact CG1-CZ 4.37Å; V294-F298 VanDerWaalsContact O-CD2 3.26Å; V294-F298 WeakPolarHBondContact O-CD2 3.26Å; V294-F298 PolarHBondContact O-N 3.25Å; D295-F298 WeakPolarHBondContact O-CB 3.45Å; D295-F298 PolarHBondContact O-N 3.25Å; E296-F298 VanDerWaalsContact C-N 3.33Å; E296-F298 PolarHBondContact O-N 3.46Å; F298-C300 PolarHBondContact O-N 3.23Å; F298-A301 PolarHBondContact O-N 3.22Å; F298-L302 VanDerWaalsContact O-CB 3.29Å; F298-L302 WeakPolarHBondContact O-CB 3.29Å; F298-L302 PolarHBondContact O-N 3.08Å; F298-T314 HydrophobicContact CE1-CG2 3.7Å; F298-T314 HydrophobicContact CZ-CG2 4.19Å; F298-I315 HydrophobicContact CB-CD1 3.98Å; F298-I315 HydrophobicContact CB-CG1 3.8Å; F298-I315 HydrophobicContact CD1-CG1 3.7Å; F298-I315 HydrophobicContact CD2-CG1 4.36Å; F298-I315 HydrophobicContact CE1-CG1 4.38Å; F298-I315 HydrophobicContact CG-CD1 4.43Å; F298-I315 HydrophobicContact CG-CG1 3.71Å; F298-F318 HydrophobicContact CD2-CD1 4.36Å; F298-F318 HydrophobicContact CE2-CB 3.96Å; F298-F318 AromaticContact CE2-CD1 3.56Å; F298-F318 HydrophobicContact CE2-CD1 3.56Å; F298-F318 HydrophobicContact CE2-CD2 4.03Å; F298-F318 HydrophobicContact CE2-CE1 4.06Å; F298-F318 HydrophobicContact CE2-CE2 4.48Å; F298-F318 AromaticContact CE2-CG 3.55Å; F298-F318 HydrophobicContact CE2-CG 3.55Å; F298-F318 HydrophobicContact CE2-CZ 4.5Å; F298-F318 HydrophobicContact CZ-CB 3.91Å; F298-F318 HydrophobicContact CZ-CD1 4.36Å; F298-F318 HydrophobicContact CZ-CD2 4.23Å; F298-F318 AromaticContact CZ-CG 3.89Å; F298-F318 HydrophobicContact CZ-CG 3.89Å
299R94.5Very high92.6Very high23 Ų2347.4 Ų47.49%0.08726%0.26CS..Hα-helixtrans-57.1-48.3173.5-179.4-166-63.5-107.7-11.2111.1D295 E296 L302 L303 F391 E392 F395D295-R299 PolarHBondContact O-N 3.22Å; E296-R299 WeakPolarHBondContact O-CB 3.39Å; E296-R299 PolarHBondContact O-N 2.96Å; E296-R299 VanDerWaalsContact OE2-CD 3.29Å; E296-R299 WeakPolarHBondContact OE2-CD 3.45Å; E296-R299 IonicContact OE2-CZ 2.84Å; E296-R299 IonicContact OE2-NE 2.66Å; E296-R299 PolarHBondContact OE2-NE 3.04Å; R299-L302 PolarHBondContact O-N 3.07Å; R299-L303 HydrophobicContact CG-CD1 4.25Å; R299-L303 WeakPolarHBondContact O-CG 3.47Å; R299-L303 PolarHBondContact O-N 3.49Å; R299-F391 HydrophobicContact CG-CE1 3.99Å; R299-F391 HydrophobicContact CG-CZ 4.11Å; R299-E392 IonicContact CZ-OE1 3.46Å; R299-E392 IonicContact CZ-OE2 2.83Å; R299-E392 VanDerWaalsContact NH1-CD 3.26Å; R299-E392 IonicContact NH1-OE1 3.76Å; R299-E392 PolarHBondContact NH1-OE1 3.25Å; R299-E392 IonicContact NH1-OE2 3.61Å; R299-E392 PolarHBondContact NH1-OE2 3.33Å; R299-E392 VanDerWaalsContact NH1-OE2 3.08Å; R299-E392 IonicContact NH2-OE1 3.44Å; R299-E392 IonicContact NH2-OE2 2.67Å; R299-E392 PolarHBondContact NH2-OE2 3.37Å; R299-F395 HydrophobicContact CB-CE1 4.39Å; R299-F395 HydrophobicContact CB-CE2 4.11Å; R299-F395 HydrophobicContact CB-CZ 3.86Å
300C95Very high92.2Very high61 Ų6148.2 Ų48.241%0.41226%0.256SS..Hα-helixtrans-59.1-50.3175.6-69.70000111.4E296 M297 F298 L302 L303 E304E296-C300 PolarHBondContact O-N 3.34Å; E296-C300 PolarHBondContact O-SG 3.46Å; M297-C300 PolarHBondContact O-N 3.11Å; F298-C300 PolarHBondContact O-N 3.23Å; C300-L302 VanDerWaalsContact C-N 3.27Å; C300-L302 PolarHBondContact O-N 3.2Å; C300-L303 PolarHBondContact O-N 2.64Å; C300-E304 WeakPolarHBondContact O-CB 3.4Å; C300-E304 VanDerWaalsContact O-CG 3.31Å; C300-E304 WeakPolarHBondContact O-CG 3.46Å; C300-E304 PolarHBondContact O-N 3.34Å
301A94.2Very high92Very high19 Ų1949.2 Ų49.216%0.15726%0.262CS..Hα-helixtrans-58.9-38.9178.600000112.4F258 M297 F298 T305 I311F258-A301 HydrophobicContact CE1-CB 4.25Å; F258-A301 HydrophobicContact CE2-CB 4.37Å; F258-A301 HydrophobicContact CZ-CB 3.84Å; M297-A301 WeakPolarHBondContact O-CB 3.49Å; M297-A301 PolarHBondContact O-N 2.98Å; F298-A301 PolarHBondContact O-N 3.22Å; A301-T305 VanDerWaalsContact O-CB 3.32Å; A301-T305 WeakPolarHBondContact O-CB 3.43Å; A301-T305 WeakPolarHBondContact O-CG2 3.47Å; A301-T305 PolarHBondContact O-N 3.38Å; A301-T305 VanDerWaalsContact O-N 3.09Å; A301-T305 PolarHBondContact O-OG1 3.27Å; A301-I311 HydrophobicContact CB-CD1 4.4Å; A301-I311 HydrophobicContact CB-CG2 4.19Å
302L93.3Very high91.8Very high4 Ų450 Ų502%0.02127%0.265CS..Hα-helixtrans-66.8-41.2178.4-171.971.4000112.2F298 R299 C300 T305 D306 G307 I311 I312 I315 W394 F395 I398F298-L302 VanDerWaalsContact O-CB 3.29Å; F298-L302 WeakPolarHBondContact O-CB 3.29Å; F298-L302 PolarHBondContact O-N 3.08Å; R299-L302 PolarHBondContact O-N 3.07Å; C300-L302 VanDerWaalsContact C-N 3.27Å; C300-L302 PolarHBondContact O-N 3.2Å; L302-T305 PolarHBondContact O-OG1 2.87Å; L302-D306 PolarHBondContact O-N 3.3Å; L302-G307 PolarHBondContact O-N 3.42Å; L302-I311 HydrophobicContact CB-CG2 4.18Å; L302-I311 HydrophobicContact CD1-CB 4.5Å; L302-I311 HydrophobicContact CD1-CG2 4.1Å; L302-I312 HydrophobicContact CD1-CD1 4.39Å; L302-I312 HydrophobicContact CD1-CG1 3.66Å; L302-I315 HydrophobicContact CD1-CD1 4.45Å; L302-W394 HydrophobicContact CD1-CH2 4.41Å; L302-W394 HydrophobicContact CD2-CH2 3.78Å; L302-W394 HydrophobicContact CD2-CZ3 3.49Å; L302-W394 VanDerWaalsContact CD2-CZ3 3.49Å; L302-W394 HydrophobicContact CG-CH2 4.35Å; L302-W394 HydrophobicContact CG-CZ3 4.38Å; L302-F395 HydrophobicContact CD2-CD2 3.79Å; L302-F395 HydrophobicContact CD2-CE2 3.98Å; L302-I398 HydrophobicContact CD1-CD1 4.44Å; L302-I398 HydrophobicContact CD2-CD1 3.6Å
303L92.3Very high91.6Very high86 Ų8645.3 Ų45.345%0.4525%0.25SS..Hα-helixtrans-70.2-42.9177.8-68.9173.5000112R299 C300 T305 D306 F391R299-L303 HydrophobicContact CG-CD1 4.25Å; R299-L303 WeakPolarHBondContact O-CG 3.47Å; R299-L303 PolarHBondContact O-N 3.49Å; C300-L303 PolarHBondContact O-N 2.64Å; L303-T305 PolarHBondContact O-N 3.41Å; L303-D306 PolarHBondContact O-N 3Å; L303-F391 HydrophobicContact CD2-CE2 3.83Å; L303-F391 HydrophobicContact CD2-CZ 3.94Å; L303-F391 HydrophobicContact CG-CZ 4.27Å
304E92.7Very high91.5Very high169 Ų16943.5 Ų43.579%0.7924%0.239SC*.Hα-helixtrans-66.9-25.4178.3-69.8-63.4149.700112.9C300C300-E304 WeakPolarHBondContact O-CB 3.4Å; C300-E304 VanDerWaalsContact O-CG 3.31Å; C300-E304 WeakPolarHBondContact O-CG 3.46Å; C300-E304 PolarHBondContact O-N 3.34Å
305T89.3Confident91.4Very high61 Ų6143.5 Ų43.537%0.37424%0.239SC..THydrogen-bonded Turntrans-100.17.8179.860.50000113.6A301 L302 L303 G307 A308 I311A301-T305 VanDerWaalsContact O-CB 3.32Å; A301-T305 WeakPolarHBondContact O-CB 3.43Å; A301-T305 WeakPolarHBondContact O-CG2 3.47Å; A301-T305 PolarHBondContact O-N 3.38Å; A301-T305 VanDerWaalsContact O-N 3.09Å; A301-T305 PolarHBondContact O-OG1 3.27Å; L302-T305 PolarHBondContact O-OG1 2.87Å; L303-T305 PolarHBondContact O-N 3.41Å; T305-G307 PolarHBondContact O-N 3.36Å; T305-G307 VanDerWaalsContact O-N 3.16Å; T305-A308 HydrophobicContact CG2-CB 4.47Å; T305-A308 PolarHBondContact O-N 2.63Å; T305-I311 HydrophobicContact CG2-CG1 4.07Å
306D85.6Confident91.3Very high121 Ų12144 Ų4465%0.64724%0.242SC*.THydrogen-bonded Turntrans46.140.5-174.1-158.533.2000113.3L302 L303 R433L302-D306 PolarHBondContact O-N 3.3Å; L303-D306 PolarHBondContact O-N 3Å; D306-R433 IonicContact OD1-CZ 3.01Å; D306-R433 IonicContact OD1-NH1 2.78Å; D306-R433 PolarHBondContact OD1-NH1 2.87Å; D306-R433 IonicContact OD1-NH2 3.27Å
307G84Confident91.2Very high24 Ų2440 Ų4025%0.24722%0.223CC..SBendtrans82.131.4176.900000115.4L302 T305 L309L302-G307 PolarHBondContact O-N 3.42Å; T305-G307 PolarHBondContact O-N 3.36Å; T305-G307 VanDerWaalsContact O-N 3.16Å; G307-L309 PolarHBondContact O-N 3.41Å
308A85.3Confident91.2Very high30 Ų3038.3 Ų38.325%0.24822%0.215CC..  trans-50.7135.217700000112.6T305 E310 I311 I312T305-A308 HydrophobicContact CG2-CB 4.47Å; T305-A308 PolarHBondContact O-N 2.63Å; A308-E310 PolarHBondContact O-N 3.08Å; A308-I311 HydrophobicContact CB-CG1 4.26Å; A308-I311 PolarHBondContact O-N 3.37Å; A308-I312 PolarHBondContact O-N 2.8Å
309L83.1Confident91.1Very high67 Ų6738.4 Ų38.435%0.35122%0.215SC..Hα-helixtrans-61.1-33.8-174.8-70.2176.1000112.2G307 I311 I312 A313 E521G307-L309 PolarHBondContact O-N 3.41Å; L309-I311 VanDerWaalsContact C-N 3.3Å; L309-I311 PolarHBondContact O-N 2.96Å; L309-I312 PolarHBondContact O-N 3.08Å; L309-A313 VanDerWaalsContact O-CB 3.26Å; L309-A313 WeakPolarHBondContact O-CB 3.41Å; L309-A313 PolarHBondContact O-N 3.46Å; L309-E521 HydrophobicContact CD1-CB 4.47Å; L309-E521 HydrophobicContact CD1-CG 4.19Å
310E85.4Confident91Very high64 Ų6438.5 Ų38.530%0.29922%0.217SC..Hα-helixtrans-63.9-35.9177.4-62.686.2165.500112A308 T314A308-E310 PolarHBondContact O-N 3.08Å; E310-T314 WeakPolarHBondContact O-CB 3.41Å; E310-T314 PolarHBondContact O-N 3.15Å; E310-T314 PolarHBondContact O-OG1 3.37Å
311I91Very high90.9Very high23 Ų2335.9 Ų35.912%0.11820%0.199CC..Hα-helixtrans-72.2-45.1176.7-59-57.9000109.9F258 A301 L302 T305 A308 L309 A313 T314 I315F258-I311 HydrophobicContact CE1-CD1 4.48Å; A301-I311 HydrophobicContact CB-CD1 4.4Å; A301-I311 HydrophobicContact CB-CG2 4.19Å; L302-I311 HydrophobicContact CB-CG2 4.18Å; L302-I311 HydrophobicContact CD1-CB 4.5Å; L302-I311 HydrophobicContact CD1-CG2 4.1Å; T305-I311 HydrophobicContact CG2-CG1 4.07Å; A308-I311 HydrophobicContact CB-CG1 4.26Å; A308-I311 PolarHBondContact O-N 3.37Å; L309-I311 VanDerWaalsContact C-N 3.3Å; L309-I311 PolarHBondContact O-N 2.96Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 2.62Å; I311-T314 WeakPolarHBondContact O-CB 3.44Å; I311-T314 PolarHBondContact O-N 3.04Å; I311-T314 VanDerWaalsContact O-N 3.14Å; I311-I315 HydrophobicContact CG2-CD1 4Å; I311-I315 HydrophobicContact CG2-CG1 4.48Å; I311-I315 VanDerWaalsContact O-CG1 3.31Å; I311-I315 WeakPolarHBondContact O-CG1 3.49Å; I311-I315 PolarHBondContact O-N 3.19Å
312I91.5Very high90.9Very high15 Ų1535 Ų358%0.07719%0.192CC..Hα-helixtrans-57.8-46.6175.3-66175.1000110.8L302 A308 L309 T314 I315 Q316L302-I312 HydrophobicContact CD1-CD1 4.39Å; L302-I312 HydrophobicContact CD1-CG1 3.66Å; A308-I312 PolarHBondContact O-N 2.8Å; L309-I312 PolarHBondContact O-N 3.08Å; I312-T314 VanDerWaalsContact C-N 3.33Å; I312-T314 PolarHBondContact O-N 3.07Å; I312-I315 PolarHBondContact O-N 3.37Å; I312-Q316 VanDerWaalsContact CG2-NE2 3.34Å; I312-Q316 VanDerWaalsContact O-CG 3.32Å; I312-Q316 WeakPolarHBondContact O-CG 3.48Å; I312-Q316 PolarHBondContact O-N 3.3Å
313A90.3Very high90.8Very high12 Ų1236.1 Ų36.110%0.09920%0.198CC..Hα-helixtrans-58.7-43.8175.500000112L269 L309 I311 Q316 V317L269-A313 HydrophobicContact CD2-CB 3.67Å; L309-A313 VanDerWaalsContact O-CB 3.26Å; L309-A313 WeakPolarHBondContact O-CB 3.41Å; L309-A313 PolarHBondContact O-N 3.46Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 2.62Å; A313-Q316 PolarHBondContact O-N 3.07Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 3.35Å
314T92.9Very high90.7Very high3 Ų334.3 Ų34.32%0.01819%0.188CC..Hα-helixtrans-62-44.8176.9-600000111.6L261 I276 F298 E310 I311 I312 Q316 V317 F318L261-T314 HydrophobicContact CD1-CG2 3.41Å; L261-T314 VanDerWaalsContact CD1-CG2 3.41Å; I276-T314 HydrophobicContact CD1-CG2 4.16Å; F298-T314 HydrophobicContact CE1-CG2 3.7Å; F298-T314 HydrophobicContact CZ-CG2 4.19Å; E310-T314 WeakPolarHBondContact O-CB 3.41Å; E310-T314 PolarHBondContact O-N 3.15Å; E310-T314 PolarHBondContact O-OG1 3.37Å; I311-T314 WeakPolarHBondContact O-CB 3.44Å; I311-T314 PolarHBondContact O-N 3.04Å; I311-T314 VanDerWaalsContact O-N 3.14Å; I312-T314 VanDerWaalsContact C-N 3.33Å; I312-T314 PolarHBondContact O-N 3.07Å; T314-Q316 VanDerWaalsContact C-N 3.32Å; T314-Q316 PolarHBondContact O-N 3.41Å; T314-V317 PolarHBondContact O-N 3.26Å; T314-F318 VanDerWaalsContact O-CB 3.28Å; T314-F318 WeakPolarHBondContact O-CB 3.4Å; T314-F318 PolarHBondContact O-N 3.45Å
315I95.3Very high90.7Very high0 Ų026.9 Ų26.90%016%0.155CC..Hα-helixtrans-59.2-44.9176.9-68.8167.4000110.5F298 L302 I311 I312 F318 T319 F395 I398 H399F298-I315 HydrophobicContact CB-CD1 3.98Å; F298-I315 HydrophobicContact CB-CG1 3.8Å; F298-I315 HydrophobicContact CD1-CG1 3.7Å; F298-I315 HydrophobicContact CD2-CG1 4.36Å; F298-I315 HydrophobicContact CE1-CG1 4.38Å; F298-I315 HydrophobicContact CG-CD1 4.43Å; F298-I315 HydrophobicContact CG-CG1 3.71Å; L302-I315 HydrophobicContact CD1-CD1 4.45Å; I311-I315 HydrophobicContact CG2-CD1 4Å; I311-I315 HydrophobicContact CG2-CG1 4.48Å; I311-I315 VanDerWaalsContact O-CG1 3.31Å; I311-I315 WeakPolarHBondContact O-CG1 3.49Å; I311-I315 PolarHBondContact O-N 3.19Å; I312-I315 PolarHBondContact O-N 3.37Å; I315-F318 PolarHBondContact O-N 2.9Å; I315-T319 WeakPolarHBondContact O-CB 3.45Å; I315-T319 PolarHBondContact O-N 2.82Å; I315-T319 PolarHBondContact O-OG1 3.28Å; I315-F395 HydrophobicContact CD1-CE2 4.24Å; I315-I398 HydrophobicContact CD1-CD1 3.92Å; I315-H399 WeakPolarHBondContact CG2-ND1 3.33Å
316Q93.4Very high90.7Very high21 Ų2125.2 Ų25.210%0.09814%0.143CC..Hα-helixtrans-63.2-47.7179.4-73.9168.43.800112.2I312 A313 T314 T319 Q320 I398 Y429I312-Q316 VanDerWaalsContact CG2-NE2 3.34Å; I312-Q316 VanDerWaalsContact O-CG 3.32Å; I312-Q316 WeakPolarHBondContact O-CG 3.48Å; I312-Q316 PolarHBondContact O-N 3.3Å; A313-Q316 PolarHBondContact O-N 3.07Å; T314-Q316 VanDerWaalsContact C-N 3.32Å; T314-Q316 PolarHBondContact O-N 3.41Å; Q316-T319 PolarHBondContact O-N 3.31Å; Q316-Q320 PolarHBondContact O-N 2.81Å; Q316-I398 WeakPolarHBondContact CG-O 3.22Å; Q316-I398 PolarHBondContact NE2-O 2.9Å; Q316-Y429 PolarHBondContact NE2-OH 2.95Å; Q316-Y429 VanDerWaalsContact NE2-OH 3.11Å
317V93.3Very high90.7Very high2 Ų224.8 Ų24.81%0.01214%0.137CC..Hα-helixtrans-66.5-39.2178.2177.90000111.2L269 I272 E273 I276 A313 T314 Q320 C321L269-V317 HydrophobicContact CB-CG2 4.46Å; L269-V317 HydrophobicContact CD2-CG2 3.92Å; I272-V317 HydrophobicContact CG2-CB 4.17Å; I272-V317 HydrophobicContact CG2-CG1 4.28Å; I272-V317 HydrophobicContact CG2-CG2 4.34Å; E273-V317 VanDerWaalsContact CA-CG1 3.47Å; E273-V317 HydrophobicContact CB-CG1 3.64Å; E273-V317 HydrophobicContact CG-CG1 4.12Å; I276-V317 HydrophobicContact CD1-CB 3.79Å; I276-V317 HydrophobicContact CD1-CG1 3.62Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 3.35Å; T314-V317 PolarHBondContact O-N 3.26Å; V317-Q320 PolarHBondContact O-N 3.27Å; V317-C321 PolarHBondContact O-N 3.07Å; V317-C321 PolarHBondContact O-SG 3.15Å
318F96.1Very high90.8Very high0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-61.1-49.5175.2172.3-94.1000110.9I276 L281 P282 A285 F291 V294 F298 T314 I315 Q320 C321 F322I276-F318 HydrophobicContact CD1-CB 4.08Å; I276-F318 HydrophobicContact CG2-CB 4.5Å; I276-F318 HydrophobicContact CG2-CD2 4.27Å; L281-F318 HydrophobicContact CB-CE2 4.04Å; P282-F318 HydrophobicContact CG-CD2 4.17Å; P282-F318 HydrophobicContact CG-CE2 4.15Å; A285-F318 HydrophobicContact CB-CZ 3.84Å; F291-F318 HydrophobicContact CD2-CE1 4.49Å; F291-F318 HydrophobicContact CE2-CE1 4.26Å; V294-F318 HydrophobicContact CB-CZ 4.39Å; V294-F318 HydrophobicContact CG1-CE1 3.85Å; 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 4.36Å; F298-F318 HydrophobicContact CE2-CB 3.96Å; F298-F318 AromaticContact CE2-CD1 3.56Å; F298-F318 HydrophobicContact CE2-CD1 3.56Å; F298-F318 HydrophobicContact CE2-CD2 4.03Å; F298-F318 HydrophobicContact CE2-CE1 4.06Å; F298-F318 HydrophobicContact CE2-CE2 4.48Å; F298-F318 AromaticContact CE2-CG 3.55Å; F298-F318 HydrophobicContact CE2-CG 3.55Å; F298-F318 HydrophobicContact CE2-CZ 4.5Å; F298-F318 HydrophobicContact CZ-CB 3.91Å; F298-F318 HydrophobicContact CZ-CD1 4.36Å; F298-F318 HydrophobicContact CZ-CD2 4.23Å; F298-F318 AromaticContact CZ-CG 3.89Å; F298-F318 HydrophobicContact CZ-CG 3.89Å; T314-F318 VanDerWaalsContact O-CB 3.28Å; T314-F318 WeakPolarHBondContact O-CB 3.4Å; T314-F318 PolarHBondContact O-N 3.45Å; I315-F318 PolarHBondContact O-N 2.9Å; F318-Q320 VanDerWaalsContact C-N 3.28Å; F318-Q320 PolarHBondContact O-N 3.5Å; F318-C321 PolarHBondContact O-N 2.98Å; F318-C321 VanDerWaalsContact O-N 3.15Å; F318-F322 HydrophobicContact CE1-CB 4.28Å; F318-F322 HydrophobicContact CZ-CB 4.45Å; F318-F322 WeakPolarHBondContact O-CB 3.29Å; F318-F322 PolarHBondContact O-N 3.31Å
319T94.5Very high90.5Very high2 Ų231.2 Ų31.21%0.01216%0.157CC..Hα-helixtrans-57.7-45179.6-55.80000110.6I315 Q316 F322 V323 H399 F400I315-T319 WeakPolarHBondContact O-CB 3.45Å; I315-T319 PolarHBondContact O-N 2.82Å; I315-T319 PolarHBondContact O-OG1 3.28Å; Q316-T319 PolarHBondContact O-N 3.31Å; T319-F322 WeakPolarHBondContact O-CB 3.32Å; T319-F322 PolarHBondContact O-N 2.93Å; T319-V323 HydrophobicContact CG2-CG2 4.47Å; T319-V323 WeakPolarHBondContact O-CG2 3.42Å; T319-V323 PolarHBondContact O-N 3.03Å; T319-H399 WeakPolarHBondContact CB-O 3.47Å; T319-H399 HydrophobicContact CG2-CB 3.91Å; T319-H399 PolarHBondContact OG1-ND1 2.84Å; T319-F400 HydrophobicContact CG2-CD1 4.23Å; T319-F400 HydrophobicContact CG2-CE1 3.83Å; T319-F400 HydrophobicContact CG2-CZ 4.12Å
320Q91.6Very high89.6Confident25 Ų2531.1 Ų31.112%0.11716%0.162CC..Hα-helixtrans-59.7-50.8175.8-176.5-166-33.400111.6Q316 V317 F318 F322 V323 E324 Y531 R535Q316-Q320 PolarHBondContact O-N 2.81Å; V317-Q320 PolarHBondContact O-N 3.27Å; F318-Q320 VanDerWaalsContact C-N 3.28Å; F318-Q320 PolarHBondContact O-N 3.5Å; Q320-F322 PolarHBondContact O-N 2.94Å; Q320-V323 PolarHBondContact O-N 2.7Å; Q320-E324 PolarHBondContact NE2-OE1 3.16Å; Q320-E324 WeakPolarHBondContact O-CG 3.25Å; Q320-E324 PolarHBondContact O-N 2.93Å; Q320-Y531 PolarHBondContact NE2-OH 3.02Å; Q320-Y531 VanDerWaalsContact OE1-CE1 3.23Å; Q320-Y531 PolarHBondContact OE1-OH 2.87Å; Q320-Y531 VanDerWaalsContact OE1-OH 3.07Å; Q320-R535 VanDerWaalsContact CD-CD 3.45Å
321C94Very high88.4Confident5 Ų536.9 Ų36.93%0.03419%0.186CC..Hα-helixtrans-60.6-35.5179-67.40000112I276 P282 V317 F318 A325I276-C321 HydrophobicContact CG2-CB 3.84Å; P282-C321 HydrophobicContact CB-CB 3.82Å; P282-C321 HydrophobicContact CG-CB 3.68Å; V317-C321 PolarHBondContact O-N 3.07Å; V317-C321 PolarHBondContact O-SG 3.15Å; F318-C321 PolarHBondContact O-N 2.98Å; F318-C321 VanDerWaalsContact O-N 3.15Å; C321-A325 WeakPolarHBondContact O-CB 3.2Å; C321-A325 PolarHBondContact O-N 3.46Å
322F94.5Very high86.6Confident2 Ų244.7 Ų44.71%0.00922%0.222CC..Hα-helixtrans-66.9-45.8176160.5-105.4000111.5A285 F291 F318 T319 Q320 E324 A325 L326 Y340A285-F322 HydrophobicContact CB-CD2 4.02Å; A285-F322 HydrophobicContact CB-CE2 4.45Å; A285-F322 WeakPolarHBondContact O-CE2 3.41Å; F291-F322 HydrophobicContact CD2-CD1 4.23Å; F291-F322 HydrophobicContact CD2-CD2 4.04Å; F291-F322 AromaticContact CD2-CE1 3.98Å; F291-F322 HydrophobicContact CD2-CE1 3.98Å; F291-F322 AromaticContact CD2-CE2 3.79Å; F291-F322 HydrophobicContact CD2-CE2 3.79Å; F291-F322 HydrophobicContact CD2-CG 4.25Å; F291-F322 AromaticContact CD2-CZ 3.75Å; F291-F322 HydrophobicContact CD2-CZ 3.75Å; F291-F322 AromaticContact CE2-CD1 3.76Å; F291-F322 HydrophobicContact CE2-CD1 3.76Å; F291-F322 HydrophobicContact CE2-CD2 4.38Å; F291-F322 AromaticContact CE2-CE1 3.63Å; F291-F322 HydrophobicContact CE2-CE1 3.63Å; F291-F322 HydrophobicContact CE2-CE2 4.27Å; F291-F322 HydrophobicContact CE2-CG 4.13Å; F291-F322 AromaticContact CE2-CZ 3.91Å; F291-F322 HydrophobicContact CE2-CZ 3.91Å; F291-F322 HydrophobicContact CZ-CE1 4.49Å; F318-F322 HydrophobicContact CE1-CB 4.28Å; F318-F322 HydrophobicContact CZ-CB 4.45Å; F318-F322 WeakPolarHBondContact O-CB 3.29Å; F318-F322 PolarHBondContact O-N 3.31Å; T319-F322 WeakPolarHBondContact O-CB 3.32Å; T319-F322 PolarHBondContact O-N 2.93Å; Q320-F322 PolarHBondContact O-N 2.94Å; F322-E324 PolarHBondContact O-N 2.89Å; F322-A325 WeakPolarHBondContact O-CB 3.37Å; F322-A325 PolarHBondContact O-N 3.15Å; F322-A325 VanDerWaalsContact O-N 3.15Å; F322-L326 HydrophobicContact CE1-CD2 4.45Å; F322-L326 HydrophobicContact CZ-CD2 4.1Å; F322-L326 WeakPolarHBondContact O-CB 3.43Å; F322-L326 PolarHBondContact O-N 3.24Å; F322-Y340 HydrophobicContact CE2-CD1 4.09Å; F322-Y340 AromaticContact CE2-CE1 3.84Å; F322-Y340 HydrophobicContact CE2-CE1 3.84Å; F322-Y340 AromaticContact CZ-CD1 3.57Å; F322-Y340 HydrophobicContact CZ-CD1 3.57Å; F322-Y340 HydrophobicContact CZ-CD2 4.4Å; F322-Y340 AromaticContact CZ-CE1 3.64Å; F322-Y340 HydrophobicContact CZ-CE1 3.64Å; F322-Y340 HydrophobicContact CZ-CE2 4.46Å; F322-Y340 AromaticContact CZ-CG 3.97Å; F322-Y340 HydrophobicContact CZ-CG 3.97Å
323V90.7Very high84.9Confident27 Ų2748.1 Ų48.116%0.16424%0.24CC..Hα-helixtrans-61.3-45.9176.1172.80000110.4T319 Q320 A325 L326 E327 L353T319-V323 HydrophobicContact CG2-CG2 4.47Å; T319-V323 WeakPolarHBondContact O-CG2 3.42Å; T319-V323 PolarHBondContact O-N 3.03Å; Q320-V323 PolarHBondContact O-N 2.7Å; V323-A325 VanDerWaalsContact C-N 3.27Å; V323-A325 PolarHBondContact O-N 2.83Å; V323-L326 PolarHBondContact O-N 3.5Å; V323-L326 VanDerWaalsContact O-N 3.16Å; V323-E327 WeakPolarHBondContact O-CG 3.1Å; V323-E327 PolarHBondContact O-N 3.16Å; V323-L353 HydrophobicContact CG2-CD2 3.82Å
324E90.2Very high83.9Confident48 Ų4854.6 Ų54.622%0.22426%0.262CS..Hα-helixtrans-58.3-38.3174.3-71.2176.3-157.800112.3K277 Q320 F322 K328K277-E324 IonicContact NZ-OE2 2.76Å; Q320-E324 PolarHBondContact NE2-OE1 3.16Å; Q320-E324 WeakPolarHBondContact O-CG 3.25Å; Q320-E324 PolarHBondContact O-N 2.93Å; F322-E324 PolarHBondContact O-N 2.89Å; E324-K328 WeakPolarHBondContact O-CD 3.2Å; E324-K328 VanDerWaalsContact O-CG 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.42Å; E324-K328 PolarHBondContact O-N 3Å
325A92Very high83.2Confident12 Ų1258.4 Ų58.410%0.09928%0.279CS..Hα-helixtrans-70.8-39.5176.900000112Q283 C321 F322 V323 E327 K328 A329Q283-A325 HydrophobicContact CG-CB 4.36Å; C321-A325 WeakPolarHBondContact O-CB 3.2Å; C321-A325 PolarHBondContact O-N 3.46Å; F322-A325 WeakPolarHBondContact O-CB 3.37Å; F322-A325 PolarHBondContact O-N 3.15Å; F322-A325 VanDerWaalsContact O-N 3.15Å; V323-A325 VanDerWaalsContact C-N 3.27Å; V323-A325 PolarHBondContact O-N 2.83Å; A325-E327 VanDerWaalsContact C-N 3.33Å; A325-K328 PolarHBondContact O-N 3.09Å; A325-A329 WeakPolarHBondContact O-CB 3.31Å; A325-A329 PolarHBondContact O-N 3.39Å
326L88.9Confident82.5Confident26 Ų2661 Ų6114%0.13630%0.3CS..Hα-helixtrans-66.6-35.2178.1-174.665.3000111.9F322 V323 Y340F322-L326 HydrophobicContact CE1-CD2 4.45Å; F322-L326 HydrophobicContact CZ-CD2 4.1Å; F322-L326 WeakPolarHBondContact O-CB 3.43Å; F322-L326 PolarHBondContact O-N 3.24Å; V323-L326 PolarHBondContact O-N 3.5Å; V323-L326 VanDerWaalsContact O-N 3.16Å; L326-Y340 HydrophobicContact CD1-CE2 4.4Å; L326-Y340 WeakPolarHBondContact CD1-OH 3.26Å; L326-Y340 HydrophobicContact CD2-CE2 4.36Å
327E86Confident81.8Confident112 Ų11262.8 Ų62.852%0.52331%0.31SS..Hα-helixtrans-67-42.6174-75.3178.317600112.5V323 A325 A329V323-E327 WeakPolarHBondContact O-CG 3.1Å; V323-E327 PolarHBondContact O-N 3.16Å; A325-E327 VanDerWaalsContact C-N 3.33Å; E327-A329 VanDerWaalsContact C-N 3.35Å
328K87.1Confident81.3Confident167 Ų16769.4 Ų69.473%0.72634%0.339SS*.Hα-helixtrans-72.5-26.4177.7-70.9169.7-172.7165.10113E324 A325E324-K328 WeakPolarHBondContact O-CD 3.2Å; E324-K328 VanDerWaalsContact O-CG 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.42Å; E324-K328 PolarHBondContact O-N 3Å; A325-K328 PolarHBondContact O-N 3.09Å
329A79.8Confident80.8Confident23 Ų2371 Ų7119%0.1935%0.348CS..SBendtrans-58.8139.4178.100000110.6A325 E327A325-A329 WeakPolarHBondContact O-CB 3.31Å; A325-A329 PolarHBondContact O-N 3.39Å; E327-A329 VanDerWaalsContact C-N 3.35Å
330S62.1Low80.5Confident64 Ų6470.9 Ų70.945%0.44835%0.348SS..  trans-56.9146.4179.770.20000110.2Q332 L333S330-Q332 PolarHBondContact O-N 3.01Å; S330-L333 PolarHBondContact O-N 3.37Å
331K62.1Low80.4Confident185 Ų18570.3 Ų70.380%0.80435%0.345SS*.G310 helixtrans-52.2-20.3-180-68.2-176.1179.9-179.70113.7L333K331-L333 VanDerWaalsContact C-N 3.31Å; K331-L333 PolarHBondContact O-N 3.02Å
332Q52.5Low79.9Confident188 Ų18872.2 Ų72.288%0.87936%0.357SS*.G310 helixtrans-69.3-22.1179.9-67.7179-14.700113.9S330S330-Q332 PolarHBondContact O-N 3.01Å
333L56.4Low79.2Confident87 Ų8777.8 Ų77.846%0.45538%0.379SS..G310 helixtrans-104.312.7-176.8-93.8140.7000114.1S330 K331 F335S330-L333 PolarHBondContact O-N 3.37Å; K331-L333 VanDerWaalsContact C-N 3.31Å; K331-L333 PolarHBondContact O-N 3.02Å; L333-F335 HydrophobicContact CD2-CE2 4.04Å; L333-F335 WeakPolarHBondContact O-CD2 3.42Å; L333-F335 PolarHBondContact O-N 3.19Å
334R67.9Low78.6Confident148 Ų14877.5 Ų77.556%0.55838%0.377SS*.  trans-78.395.6-178.3-73-170175.4-175.8-2.5111.6
335F78.4Confident78.3Confident83 Ų8377.7 Ų77.736%0.36438%0.384SS..  trans-70.8154.8166.5-60-86.6000111.4P288 L333 T339 Y340P288-F335 HydrophobicContact CG-CB 3.63Å; P288-F335 HydrophobicContact CG-CD1 3.86Å; P288-F335 HydrophobicContact CG-CD2 3.58Å; P288-F335 HydrophobicContact CG-CE1 4.39Å; P288-F335 HydrophobicContact CG-CE2 4.15Å; P288-F335 HydrophobicContact CG-CG 3.4Å; P288-F335 VanDerWaalsContact CG-CG 3.4Å; L333-F335 HydrophobicContact CD2-CE2 4.04Å; L333-F335 WeakPolarHBondContact O-CD2 3.42Å; L333-F335 PolarHBondContact O-N 3.19Å; F335-T339 HydrophobicContact CB-CG2 4.43Å; F335-T339 WeakPolarHBondContact CB-OG1 3.33Å; F335-Y340 HydrophobicContact CB-CE2 4.1Å
336A81.2Confident77.9Confident55 Ų5580.7 Ų80.746%0.45540%0.402SS..  trans-65.5143.3176.200000110.8K338 T339A336-K338 HydrophobicContact CB-CG 4.03Å; A336-K338 PolarHBondContact O-N 3.49Å; A336-K338 VanDerWaalsContact O-N 3.11Å; A336-T339 HydrophobicContact CB-CG2 4.41Å; A336-T339 VanDerWaalsContact O-CB 3.29Å; A336-T339 WeakPolarHBondContact O-CB 3.49Å; A336-T339 WeakPolarHBondContact O-CG2 3.34Å; A336-T339 PolarHBondContact O-N 3.49Å; A336-T339 PolarHBondContact O-OG1 3.45Å
337L78.5Confident77.8Confident58 Ų5882.1 Ų82.130%0.30441%0.414SS..Hα-helixtrans-54.8-35.8-176.6-66.6175.4000114.2T339 Y340 F341 M350 L353L337-T339 PolarHBondContact O-N 3.38Å; L337-Y340 PolarHBondContact O-N 2.96Å; L337-F341 PolarHBondContact O-N 3.18Å; L337-M350 HydrophobicContact CD1-CG 3.67Å; L337-L353 HydrophobicContact CB-CD1 4.46Å; L337-L353 HydrophobicContact CD1-CD1 3.56Å; L337-L353 HydrophobicContact CD2-CD1 3.34Å; L337-L353 HydrophobicContact CG-CD1 3.93Å
338K82.5Confident78.1Confident141 Ų14176.9 Ų76.961%0.61339%0.39SS*.Hα-helixtrans-57.4-17.6173.669.4175.7-176.3177.10114.6A336 P342A336-K338 HydrophobicContact CB-CG 4.03Å; A336-K338 PolarHBondContact O-N 3.49Å; A336-K338 VanDerWaalsContact O-N 3.11Å; K338-P342 WeakPolarHBondContact O-CA 3.47Å
339T86.2Confident78.1Confident32 Ų3269 Ų6920%0.19636%0.356CS..Hα-helixtrans-76.8-33.9177.463.70000111.6P288 R292 F335 A336 L337P288-T339 WeakPolarHBondContact CG-OG1 3.42Å; R292-T339 PolarHBondContact NE-O 3.47Å; R292-T339 PolarHBondContact NH2-O 2.82Å; F335-T339 HydrophobicContact CB-CG2 4.43Å; F335-T339 WeakPolarHBondContact CB-OG1 3.33Å; A336-T339 HydrophobicContact CB-CG2 4.41Å; A336-T339 VanDerWaalsContact O-CB 3.29Å; A336-T339 WeakPolarHBondContact O-CB 3.49Å; A336-T339 WeakPolarHBondContact O-CG2 3.34Å; A336-T339 PolarHBondContact O-N 3.49Å; A336-T339 PolarHBondContact O-OG1 3.45Å; L337-T339 PolarHBondContact O-N 3.38Å
340Y88.9Confident78.6Confident1 Ų172.7 Ų72.70%0.00437%0.371CS..Hα-helixtrans-79.6-46.2175.8-57.9-74.8000111.3A285 C286 P288 F291 F322 L326 F335 L337 P342A285-Y340 WeakPolarHBondContact O-CE1 3.32Å; C286-Y340 PolarHBondContact O-OH 2.94Å; P288-Y340 HydrophobicContact CB-CD1 4.29Å; P288-Y340 HydrophobicContact CB-CE1 4.22Å; P288-Y340 HydrophobicContact CG-CD1 4.32Å; P288-Y340 HydrophobicContact CG-CE1 3.82Å; F291-Y340 HydrophobicContact CB-CD1 3.8Å; F291-Y340 HydrophobicContact CB-CE1 4.34Å; F291-Y340 HydrophobicContact CD1-CD1 4.06Å; F291-Y340 WeakPolarHBondContact CD1-O 3.34Å; F291-Y340 HydrophobicContact CD2-CD1 4.04Å; F291-Y340 WeakPolarHBondContact CE1-O 3.38Å; F291-Y340 AromaticContact CG-CD1 3.69Å; F291-Y340 HydrophobicContact CG-CD1 3.69Å; F291-Y340 HydrophobicContact CG-CG 4.5Å; F322-Y340 HydrophobicContact CE2-CD1 4.09Å; F322-Y340 AromaticContact CE2-CE1 3.84Å; F322-Y340 HydrophobicContact CE2-CE1 3.84Å; F322-Y340 AromaticContact CZ-CD1 3.57Å; F322-Y340 HydrophobicContact CZ-CD1 3.57Å; F322-Y340 HydrophobicContact CZ-CD2 4.4Å; F322-Y340 AromaticContact CZ-CE1 3.64Å; F322-Y340 HydrophobicContact CZ-CE1 3.64Å; F322-Y340 HydrophobicContact CZ-CE2 4.46Å; F322-Y340 AromaticContact CZ-CG 3.97Å; F322-Y340 HydrophobicContact CZ-CG 3.97Å; L326-Y340 HydrophobicContact CD1-CE2 4.4Å; L326-Y340 WeakPolarHBondContact CD1-OH 3.26Å; L326-Y340 HydrophobicContact CD2-CE2 4.36Å; F335-Y340 HydrophobicContact CB-CE2 4.1Å; L337-Y340 PolarHBondContact O-N 2.96Å; Y340-P342 VanDerWaalsContact C-CD 3.44Å; Y340-P342 WeakPolarHBondContact O-CD 3.16Å
341F88Confident80Confident13 Ų1370.3 Ų70.36%0.05735%0.353CS..  trans-115.273.1-178.2-56.1-74.3000112F291 L337 Y343 T344 A349 L396 F400F291-F341 HydrophobicContact CE1-CD1 4.24Å; F291-F341 AromaticContact CE1-CE1 3.95Å; F291-F341 HydrophobicContact CE1-CE1 3.95Å; F291-F341 HydrophobicContact CE1-CZ 4.3Å; F291-F341 HydrophobicContact CE2-CZ 4.45Å; F291-F341 HydrophobicContact CZ-CD1 4.3Å; F291-F341 AromaticContact CZ-CE1 3.57Å; F291-F341 HydrophobicContact CZ-CE1 3.57Å; F291-F341 HydrophobicContact CZ-CE2 4.43Å; F291-F341 AromaticContact CZ-CZ 3.64Å; F291-F341 HydrophobicContact CZ-CZ 3.64Å; L337-F341 PolarHBondContact O-N 3.18Å; F341-Y343 VanDerWaalsContact C-N 3.32Å; F341-Y343 PolarHBondContact O-N 2.86Å; F341-T344 PolarHBondContact O-OG1 3.34Å; F341-A349 HydrophobicContact CD2-CB 4.47Å; F341-L396 HydrophobicContact CB-CD1 4.22Å; F341-L396 HydrophobicContact CD1-CD1 3.42Å; F341-L396 VanDerWaalsContact CD1-CD1 3.42Å; F341-L396 HydrophobicContact CD2-CD1 4.27Å; F341-L396 HydrophobicContact CE1-CD1 3.72Å; F341-L396 HydrophobicContact CG-CD1 3.71Å; F341-L396 HydrophobicContact CZ-CD1 4.27Å; F341-F400 HydrophobicContact CE2-CE2 4.45Å; F341-F400 HydrophobicContact CE2-CZ 4.12Å; F341-F400 HydrophobicContact CZ-CE2 4.13Å; F341-F400 AromaticContact CZ-CZ 3.96Å; F341-F400 HydrophobicContact CZ-CZ 3.96Å
342P83.3Confident81.5Confident44 Ų4461.6 Ų61.629%0.28632%0.315SS..THydrogen-bonded Turntrans-71.9-21.8-172.829-35.9000114.5K338 Y340K338-P342 WeakPolarHBondContact O-CA 3.47Å; Y340-P342 VanDerWaalsContact C-CD 3.44Å; Y340-P342 WeakPolarHBondContact O-CD 3.16Å
343Y80.7Confident83.3Confident120 Ų12054.1 Ų54.147%0.47128%0.281SS..THydrogen-bonded Turntrans-93.815.5-173.3-53.3-66.9000114F341 C387F341-Y343 VanDerWaalsContact C-N 3.32Å; F341-Y343 PolarHBondContact O-N 2.86Å; Y343-C387 CarbonylContact C-O 3.38Å
344T78.6Confident84.7Confident21 Ų2154.4 Ų54.413%0.12928%0.28CS..SBendtrans-137.6160.7-173.862.40000112.2F341 P346 L396F341-T344 PolarHBondContact O-OG1 3.34Å; T344-P346 WeakPolarHBondContact O-CD 3.5Å; T344-L396 HydrophobicContact CG2-CB 3.86Å; T344-L396 HydrophobicContact CG2-CD2 3.74Å; T344-L396 HydrophobicContact CG2-CG 4.27Å
345S82.3Confident85.5Confident52 Ų5249.7 Ų49.736%0.36427%0.266SS..  trans-59.8124173.9176.30000110.1S347 L348 A349S345-S347 PolarHBondContact O-N 3.49Å; S345-S347 VanDerWaalsContact O-N 3.15Å; S345-S347 PolarHBondContact OG-N 3.22Å; S345-L348 PolarHBondContact O-N 3.21Å; S345-A349 PolarHBondContact O-N 3.39Å; S345-A349 VanDerWaalsContact O-N 3.13Å
346P84.3Confident85.8Confident74 Ų7446.3 Ų46.348%0.48125%0.253SS..Hα-helixtrans-55.4-33176.1-2735.2000113T344 M350T344-P346 WeakPolarHBondContact O-CD 3.5Å; P346-M350 WeakPolarHBondContact O-CB 3.22Å; P346-M350 VanDerWaalsContact O-CG 3.25Å; P346-M350 WeakPolarHBondContact O-CG 3.47Å; P346-M350 PolarHBondContact O-N 3.1Å
347S88.1Confident85.7Confident57 Ų5748.3 Ų48.340%0.39925%0.253SS..Hα-helixtrans-63.1-43.8176.8-54.70000111.8S345 M350 V351S345-S347 PolarHBondContact O-N 3.49Å; S345-S347 VanDerWaalsContact O-N 3.15Å; S345-S347 PolarHBondContact OG-N 3.22Å; S347-M350 PolarHBondContact O-N 3.02Å; S347-V351 WeakPolarHBondContact O-CG2 3.35Å; S347-V351 PolarHBondContact O-N 3Å
348L90.8Very high86Confident1 Ų152 Ų521%0.00527%0.272CS..Hα-helixtrans-65.7-48.3178.2177.261.5000111.3S345 M350 V351 L352 L374 L375 L396S345-L348 PolarHBondContact O-N 3.21Å; L348-M350 VanDerWaalsContact C-N 3.31Å; L348-M350 PolarHBondContact O-N 2.86Å; L348-V351 PolarHBondContact O-N 3.35Å; L348-L352 HydrophobicContact CD1-CD1 3.83Å; L348-L352 HydrophobicContact CD1-CG 4.06Å; L348-L352 HydrophobicContact CG-CD1 3.89Å; L348-L352 HydrophobicContact CG-CG 4.48Å; L348-L352 WeakPolarHBondContact O-CG 3.35Å; L348-L352 PolarHBondContact O-N 3.37Å; L348-L374 HydrophobicContact CB-CB 4.43Å; L348-L374 HydrophobicContact CB-CD1 4.49Å; L348-L374 HydrophobicContact CD1-CB 4Å; L348-L374 HydrophobicContact CD1-CD1 4.49Å; L348-L375 HydrophobicContact CD1-CD2 4.16Å; L348-L375 HydrophobicContact CD1-CG 3.89Å; L348-L375 HydrophobicContact CD2-CD2 3.53Å; L348-L375 HydrophobicContact CD2-CG 4.13Å; L348-L375 HydrophobicContact CG-CD2 4.47Å; L348-L396 HydrophobicContact CD2-CD2 3.8Å; L348-L396 HydrophobicContact CG-CD2 3.83Å
349A88.6Confident86.1Confident2 Ų246.1 Ų46.12%0.01725%0.248CC..Hα-helixtrans-58.8-42.9177.900000111.7F341 S345 V351 L352 L353 L396F341-A349 HydrophobicContact CD2-CB 4.47Å; S345-A349 PolarHBondContact O-N 3.39Å; S345-A349 VanDerWaalsContact O-N 3.13Å; A349-V351 VanDerWaalsContact C-N 3.35Å; A349-V351 PolarHBondContact O-N 2.83Å; A349-L352 PolarHBondContact O-N 3.12Å; A349-L353 WeakPolarHBondContact O-CB 3.3Å; A349-L353 WeakPolarHBondContact O-CD1 3.48Å; A349-L353 WeakPolarHBondContact O-CG 3.48Å; A349-L353 PolarHBondContact O-N 3.21Å; A349-L353 VanDerWaalsContact O-N 3.08Å; A349-L396 HydrophobicContact CB-CD2 4.38Å
350M90Very high86Confident101 Ų10148.6 Ų48.650%0.49826%0.264SS..Hα-helixtrans-60-41.1177.2-79.8-169.4-52.900113.2L337 P346 S347 L348L337-M350 HydrophobicContact CD1-CG 3.67Å; P346-M350 WeakPolarHBondContact O-CB 3.22Å; P346-M350 VanDerWaalsContact O-CG 3.25Å; P346-M350 WeakPolarHBondContact O-CG 3.47Å; P346-M350 PolarHBondContact O-N 3.1Å; S347-M350 PolarHBondContact O-N 3.02Å; L348-M350 VanDerWaalsContact C-N 3.31Å; L348-M350 PolarHBondContact O-N 2.86Å
351V91.8Very high85.5Confident14 Ų1456.6 Ų56.69%0.08529%0.294CS..Hα-helixtrans-71.8-41.5179.9177.20000110.8S347 L348 A349 L353 Q354 T367 I371 L374S347-V351 WeakPolarHBondContact O-CG2 3.35Å; S347-V351 PolarHBondContact O-N 3Å; L348-V351 PolarHBondContact O-N 3.35Å; A349-V351 VanDerWaalsContact C-N 3.35Å; A349-V351 PolarHBondContact O-N 2.83Å; V351-L353 VanDerWaalsContact C-N 3.31Å; V351-L353 PolarHBondContact O-N 3.45Å; V351-Q354 PolarHBondContact O-N 3.48Å; V351-T367 HydrophobicContact CG1-CG2 4.23Å; V351-I371 HydrophobicContact CG1-CD1 4.02Å; V351-I371 HydrophobicContact CG1-CG1 3.44Å; V351-I371 VanDerWaalsContact CG1-CG1 3.44Å; V351-L374 HydrophobicContact CG2-CD1 4.06Å
352L92.6Very high85.2Confident1 Ų159.6 Ų59.61%0.00533%0.329CS..Hα-helixtrans-67.8-29-179-70.3173.7000113.7L348 A349 Q354 I371 L396 F397 F400 W403L348-L352 HydrophobicContact CD1-CD1 3.83Å; L348-L352 HydrophobicContact CD1-CG 4.06Å; L348-L352 HydrophobicContact CG-CD1 3.89Å; L348-L352 HydrophobicContact CG-CG 4.48Å; L348-L352 WeakPolarHBondContact O-CG 3.35Å; L348-L352 PolarHBondContact O-N 3.37Å; A349-L352 PolarHBondContact O-N 3.12Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.89Å; L352-I371 HydrophobicContact CD2-CD1 4.16Å; L352-I371 HydrophobicContact CD2-CG1 4.37Å; L352-I371 HydrophobicContact CD2-CG2 3.93Å; L352-L396 HydrophobicContact CD1-CD2 3.82Å; L352-L396 HydrophobicContact CD1-CG 3.81Å; L352-F397 HydrophobicContact CD2-CD2 3.93Å; L352-F397 HydrophobicContact CD2-CE2 4.22Å; L352-F400 HydrophobicContact CB-CB 4.18Å; L352-F400 HydrophobicContact CB-CD1 4.38Å; L352-F400 HydrophobicContact CB-CD2 3.54Å; L352-F400 HydrophobicContact CB-CE2 3.96Å; L352-F400 HydrophobicContact CB-CG 3.78Å; L352-F400 HydrophobicContact CD1-CD2 3.95Å; L352-F400 HydrophobicContact CD2-CB 4.32Å; L352-F400 HydrophobicContact CG-CD2 4.27Å; L352-F400 VanDerWaalsContact O-CD1 3.26Å; L352-F400 WeakPolarHBondContact O-CD1 3.3Å; L352-W403 HydrophobicContact CD2-CG 4.27Å; L352-W403 PolarHBondContact O-NE1 2.93Å
353L89.3Confident85.3Confident32 Ų3262.1 Ų62.117%0.16834%0.337CS..THydrogen-bonded Turntrans-74.3-11.1177.9-82.1161.9000114.7V323 L337 A349 V351 D355 F400V323-L353 HydrophobicContact CG2-CD2 3.82Å; L337-L353 HydrophobicContact CB-CD1 4.46Å; L337-L353 HydrophobicContact CD1-CD1 3.56Å; L337-L353 HydrophobicContact CD2-CD1 3.34Å; L337-L353 HydrophobicContact CG-CD1 3.93Å; A349-L353 WeakPolarHBondContact O-CB 3.3Å; A349-L353 WeakPolarHBondContact O-CD1 3.48Å; A349-L353 WeakPolarHBondContact O-CG 3.48Å; A349-L353 PolarHBondContact O-N 3.21Å; A349-L353 VanDerWaalsContact O-N 3.08Å; V351-L353 VanDerWaalsContact C-N 3.31Å; V351-L353 PolarHBondContact O-N 3.45Å; L353-D355 PolarHBondContact O-N 2.99Å; L353-F400 HydrophobicContact CD2-CE1 3.63Å; L353-F400 HydrophobicContact CD2-CZ 3.62Å; L353-F400 HydrophobicContact CG-CE1 3.94Å; L353-F400 HydrophobicContact CG-CZ 3.71Å
354Q87.5Confident85.7Confident92 Ų9257.5 Ų57.543%0.4332%0.319SS..SBendtrans-66.1133.2177.6-63.8179.80.100109.9V351 L352 P356 I359 W403V351-Q354 PolarHBondContact O-N 3.48Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.89Å; Q354-P356 VanDerWaalsContact O-CD 3.3Å; Q354-P356 WeakPolarHBondContact O-CD 3.43Å; Q354-I359 HydrophobicContact CB-CD1 4.3Å; Q354-W403 HydrophobicContact CB-CZ2 4.44Å; Q354-W403 WeakPolarHBondContact O-CZ2 3.33Å
355D84Confident86.1Confident50 Ų5059.4 Ų59.427%0.26733%0.328SS..  trans-69.5123.1171.2-169.7-25.7000108.7L353 Q357 D358L353-D355 PolarHBondContact O-N 2.99Å; D355-Q357 PolarHBondContact O-N 2.95Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.46Å; D355-Q357 WeakPolarHBondContact OD1-CG 3.41Å; D355-Q357 PolarHBondContact OD1-N 3.29Å; D355-D358 PolarHBondContact O-N 3.24Å
356P83.7Confident86.6Confident12 Ų1263.3 Ų63.38%0.07834%0.34CS..G310 helixtrans-52.6-25.3173.4-28.836.9000115.1Q354 D358 I359 W364 W403 M406 L536Q354-P356 VanDerWaalsContact O-CD 3.3Å; Q354-P356 WeakPolarHBondContact O-CD 3.43Å; P356-D358 VanDerWaalsContact C-N 3.32Å; P356-I359 PolarHBondContact O-N 3.39Å; P356-W364 PolarHBondContact O-NE1 3.25Å; P356-W403 HydrophobicContact CG-CH2 4.12Å; P356-W403 HydrophobicContact CG-CZ2 4.15Å; P356-W403 HydrophobicContact CG-CZ3 4.38Å; P356-M406 HydrophobicContact CB-CE 3.86Å; P356-M406 HydrophobicContact CB-SD 3.57Å; P356-M406 VanDerWaalsContact CB-SD 3.57Å; P356-M406 HydrophobicContact CG-SD 3.66Å; P356-L536 HydrophobicContact CB-CD2 4.17Å
357Q80.7Confident87Confident97 Ų9760.7 Ų60.745%0.45332%0.323SS..G310 helixtrans-67.7-30.2176.4-64.9-176.352.600113.1D355 I359 R535 L536D355-Q357 PolarHBondContact O-N 2.95Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.46Å; D355-Q357 WeakPolarHBondContact OD1-CG 3.41Å; D355-Q357 PolarHBondContact OD1-N 3.29Å; Q357-I359 PolarHBondContact O-N 2.83Å; Q357-R535 PolarHBondContact NE2-O 2.91Å; Q357-L536 HydrophobicContact CG-CD2 3.62Å
358D84.1Confident87.3Confident134 Ų13458 Ų5872%0.71730%0.304SS*.G310 helixtrans-77.6-13.2178.9-69.5-27.8000112.2D355 P356D355-D358 PolarHBondContact O-N 3.24Å; P356-D358 VanDerWaalsContact C-N 3.32Å
359I84.3Confident87.4Confident19 Ų1961.8 Ų61.810%0.09732%0.321CS..SBendtrans-97.1122.2-179.2-50.9-176.9000109.5Q354 P356 Q357 R361 H363 W364 T367 W403Q354-I359 HydrophobicContact CB-CD1 4.3Å; P356-I359 PolarHBondContact O-N 3.39Å; Q357-I359 PolarHBondContact O-N 2.83Å; I359-R361 PolarHBondContact O-N 3.31Å; I359-H363 HydrophobicContact CG2-CB 3.89Å; I359-W364 PolarHBondContact O-NE1 3.29Å; I359-T367 HydrophobicContact CD1-CG2 3.93Å; I359-W403 HydrophobicContact CD1-CH2 3.71Å
360P83.9Confident87.7Confident83 Ų8365.5 Ų65.554%0.53934%0.337SS..  trans-58.5134.8174-20.830.7000110.7G362 H363P360-G362 PolarHBondContact O-N 3.29Å; P360-H363 PolarHBondContact O-N 3.04Å
361R79.6Confident88Confident169 Ų16960.7 Ų60.764%0.63831%0.313SS*.G310 helixtrans-48.4-34.9-174.6-68.8-174.5-179.5179.51.2114.6I359 H363 W364I359-R361 PolarHBondContact O-N 3.31Å; R361-H363 PolarHBondContact O-N 3.5Å; R361-W364 HydrophobicContact CB-CD2 4.38Å; R361-W364 HydrophobicContact CG-CD2 4.33Å; R361-W364 HydrophobicContact CG-CE3 4.4Å; R361-W364 HydrophobicContact CG-CH2 3.89Å; R361-W364 HydrophobicContact CG-CZ2 3.77Å; R361-W364 HydrophobicContact CG-CZ3 4.19Å; R361-W364 WeakPolarHBondContact O-CB 3.45Å; R361-W364 PolarHBondContact O-N 3.12Å
362G80.7Confident88.1Confident76 Ų7660.2 Ų60.278%0.78431%0.311SS*.G310 helixtrans-63.4-21.6177.200000115P360P360-G362 PolarHBondContact O-N 3.29Å
363H86.8Confident88.2Confident98 Ų9865.8 Ų65.845%0.45434%0.337SS..G310 helixtrans-98.2-4.3180-61.694000113.3I359 P360 R361 L365 Q366 T367I359-H363 HydrophobicContact CG2-CB 3.89Å; P360-H363 PolarHBondContact O-N 3.04Å; R361-H363 PolarHBondContact O-N 3.5Å; H363-L365 VanDerWaalsContact C-N 3.34Å; H363-L365 PolarHBondContact O-N 2.83Å; H363-Q366 PolarHBondContact O-N 3.31Å; H363-T367 PolarHBondContact O-N 2.89Å; H363-T367 PolarHBondContact O-OG1 3.01Å
364W87.4Confident88.3Confident23 Ų2365.3 Ų65.39%0.08734%0.335CS..Hα-helixtrans-58.9-45.5179.5-71.2-3.1000111.7P356 I359 R361 Q366 T367 L368 M406P356-W364 PolarHBondContact O-NE1 3.25Å; I359-W364 PolarHBondContact O-NE1 3.29Å; R361-W364 HydrophobicContact CB-CD2 4.38Å; R361-W364 HydrophobicContact CG-CD2 4.33Å; R361-W364 HydrophobicContact CG-CE3 4.4Å; R361-W364 HydrophobicContact CG-CH2 3.89Å; R361-W364 HydrophobicContact CG-CZ2 3.77Å; R361-W364 HydrophobicContact CG-CZ3 4.19Å; R361-W364 WeakPolarHBondContact O-CB 3.45Å; R361-W364 PolarHBondContact O-N 3.12Å; W364-Q366 VanDerWaalsContact C-N 3.31Å; W364-Q366 PolarHBondContact O-N 2.96Å; W364-T367 PolarHBondContact O-N 2.91Å; W364-L368 WeakPolarHBondContact O-CB 3.38Å; W364-L368 VanDerWaalsContact O-CG 3.3Å; W364-L368 WeakPolarHBondContact O-CG 3.45Å; W364-L368 PolarHBondContact O-N 3.16Å; W364-M406 HydrophobicContact CB-CE 4.48Å; W364-M406 HydrophobicContact CD2-CE 3.38Å; W364-M406 HydrophobicContact CE3-CE 3.53Å; W364-M406 HydrophobicContact CG-CE 3.85Å; W364-M406 HydrophobicContact CH2-CE 4.02Å; W364-M406 HydrophobicContact CZ2-CE 3.9Å; W364-M406 HydrophobicContact CZ3-CE 3.86Å
365L88.5Confident88.6Confident61 Ų6161 Ų6132%0.31931%0.314SS..Hα-helixtrans-59.8-40.5179177.561000112.6H363 K369 P419 L422H363-L365 VanDerWaalsContact C-N 3.34Å; H363-L365 PolarHBondContact O-N 2.83Å; L365-K369 HydrophobicContact CD1-CG 4.46Å; L365-K369 HydrophobicContact CG-CD 4.43Å; L365-K369 WeakPolarHBondContact O-CB 3.29Å; L365-K369 VanDerWaalsContact O-CG 3.3Å; L365-K369 WeakPolarHBondContact O-CG 3.35Å; L365-K369 PolarHBondContact O-N 3.27Å; L365-P419 HydrophobicContact CD1-CG 4.01Å; L365-L422 HydrophobicContact CD1-CD1 3.74Å; L365-L422 HydrophobicContact CD1-CD2 4.41Å; L365-L422 HydrophobicContact CD1-CG 4.18Å
366Q91.5Very high88.9Confident133 Ų13364.3 Ų64.362%0.62132%0.323SS*.Hα-helixtrans-67.1-42.3177.9-175.8176.84.300111.1H363 W364 K369 H370H363-Q366 PolarHBondContact O-N 3.31Å; W364-Q366 VanDerWaalsContact C-N 3.31Å; W364-Q366 PolarHBondContact O-N 2.96Å; Q366-K369 PolarHBondContact O-N 2.78Å; Q366-H370 PolarHBondContact O-N 2.79Å
367T92.6Very high89.2Confident20 Ų2069.1 Ų69.112%0.12335%0.345CS..Hα-helixtrans-62.5-46177.3-52.10000111V351 I359 H363 W364 K369 H370 I371 W403V351-T367 HydrophobicContact CG1-CG2 4.23Å; I359-T367 HydrophobicContact CD1-CG2 3.93Å; H363-T367 PolarHBondContact O-N 2.89Å; H363-T367 PolarHBondContact O-OG1 3.01Å; W364-T367 PolarHBondContact O-N 2.91Å; T367-K369 PolarHBondContact O-N 3.36Å; T367-H370 WeakPolarHBondContact O-CB 3.36Å; T367-H370 PolarHBondContact O-N 3.21Å; T367-H370 VanDerWaalsContact O-N 3.14Å; T367-I371 HydrophobicContact CG2-CD1 4.23Å; T367-I371 WeakPolarHBondContact O-CG1 3.29Å; T367-I371 PolarHBondContact O-N 3.44Å; T367-W403 HydrophobicContact CG2-CH2 3.9Å; T367-W403 HydrophobicContact CG2-CZ3 4.07Å
368L94.3Very high89.4Confident0 Ų065.5 Ų65.50%033%0.331CS..Hα-helixtrans-63.7-39.6177.1-68.9174.6000112.4W364 H370 I371 S372 W403 V407 Q410 L422 L425W364-L368 WeakPolarHBondContact O-CB 3.38Å; W364-L368 VanDerWaalsContact O-CG 3.3Å; W364-L368 WeakPolarHBondContact O-CG 3.45Å; W364-L368 PolarHBondContact O-N 3.16Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 3.23Å; L368-I371 HydrophobicContact CD2-CD1 4.41Å; L368-I371 PolarHBondContact O-N 2.89Å; L368-S372 PolarHBondContact O-N 2.91Å; L368-W403 HydrophobicContact CD2-CE3 3.65Å; L368-W403 HydrophobicContact CD2-CZ3 4.28Å; L368-V407 HydrophobicContact CD1-CG2 3.98Å; L368-V407 HydrophobicContact CD2-CG2 3.59Å; L368-V407 HydrophobicContact CG-CG2 4.24Å; L368-Q410 HydrophobicContact CD1-CB 4.37Å; L368-Q410 HydrophobicContact CD1-CG 3.91Å; L368-L422 HydrophobicContact CB-CD2 3.47Å; L368-L422 VanDerWaalsContact CB-CD2 3.47Å; L368-L422 HydrophobicContact CD1-CD2 4.14Å; L368-L422 HydrophobicContact CG-CD2 4.43Å; L368-L425 WeakPolarHBondContact O-CD1 3.02Å
369K94.1Very high89.5Confident81 Ų8159.6 Ų59.635%0.35230%0.3SS..Hα-helixtrans-60.3-43.4172.2-76.5175.2178.2-177.70111.4L365 Q366 T367 S372 E373 A421L365-K369 HydrophobicContact CD1-CG 4.46Å; L365-K369 HydrophobicContact CG-CD 4.43Å; L365-K369 WeakPolarHBondContact O-CB 3.29Å; L365-K369 VanDerWaalsContact O-CG 3.3Å; L365-K369 WeakPolarHBondContact O-CG 3.35Å; L365-K369 PolarHBondContact O-N 3.27Å; Q366-K369 PolarHBondContact O-N 2.78Å; T367-K369 PolarHBondContact O-N 3.36Å; K369-S372 WeakPolarHBondContact O-CB 3.44Å; K369-S372 PolarHBondContact O-N 3.44Å; K369-E373 WeakPolarHBondContact O-CG 3.3Å; K369-E373 PolarHBondContact O-N 2.91Å; K369-A421 HydrophobicContact CG-CB 4.08Å
370H94.7Very high89.5Confident79 Ų7960.2 Ų60.237%0.36630%0.302SS..Hα-helixtrans-64.2-42.6178.1-173.749.3000112.5Q366 T367 L368 S372 E373 L374Q366-H370 PolarHBondContact O-N 2.79Å; T367-H370 WeakPolarHBondContact O-CB 3.36Å; T367-H370 PolarHBondContact O-N 3.21Å; T367-H370 VanDerWaalsContact O-N 3.14Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 3.23Å; H370-S372 VanDerWaalsContact C-N 3.3Å; H370-S372 PolarHBondContact O-N 3.31Å; H370-E373 IonicContact ND1-OE2 3.97Å; H370-E373 PolarHBondContact O-N 3.41Å; H370-L374 WeakPolarHBondContact O-CG 3.23Å; H370-L374 PolarHBondContact O-N 2.96Å
371I95Very high89Confident0 Ų060.2 Ų60.20%030%0.298CS..Hα-helixtrans-57.9-44.4172.8-67.3166.3000110.4V351 L352 T367 L368 E373 L374 L375 F397 W403 L425V351-I371 HydrophobicContact CG1-CD1 4.02Å; V351-I371 HydrophobicContact CG1-CG1 3.44Å; V351-I371 VanDerWaalsContact CG1-CG1 3.44Å; L352-I371 HydrophobicContact CD2-CD1 4.16Å; L352-I371 HydrophobicContact CD2-CG1 4.37Å; L352-I371 HydrophobicContact CD2-CG2 3.93Å; T367-I371 HydrophobicContact CG2-CD1 4.23Å; T367-I371 WeakPolarHBondContact O-CG1 3.29Å; T367-I371 PolarHBondContact O-N 3.44Å; L368-I371 HydrophobicContact CD2-CD1 4.41Å; L368-I371 PolarHBondContact O-N 2.89Å; I371-E373 VanDerWaalsContact C-N 3.35Å; I371-E373 PolarHBondContact O-N 3.18Å; I371-L374 PolarHBondContact O-N 2.97Å; I371-L375 HydrophobicContact CG2-CD1 3.84Å; I371-L375 HydrophobicContact CG2-CG 4.49Å; I371-L375 WeakPolarHBondContact O-CB 3.41Å; I371-L375 PolarHBondContact O-N 2.95Å; I371-F397 HydrophobicContact CG2-CE2 4.26Å; I371-W403 HydrophobicContact CD1-CD2 3.72Å; I371-W403 HydrophobicContact CD1-CE3 3.84Å; I371-W403 HydrophobicContact CD1-CG 4.09Å; I371-W403 HydrophobicContact CD1-CH2 4.49Å; I371-W403 HydrophobicContact CD1-CZ2 4.4Å; I371-W403 HydrophobicContact CD1-CZ3 4.23Å; I371-L425 HydrophobicContact CG2-CD2 4.13Å
372S94.8Very high88.2Confident4 Ų458.8 Ų58.83%0.02830%0.298CS..Hα-helixtrans-60.5-41.8176.7-175.20000112.9L368 K369 H370 R376 A421L368-S372 PolarHBondContact O-N 2.91Å; K369-S372 WeakPolarHBondContact O-CB 3.44Å; K369-S372 PolarHBondContact O-N 3.44Å; H370-S372 VanDerWaalsContact C-N 3.3Å; H370-S372 PolarHBondContact O-N 3.31Å; S372-R376 WeakPolarHBondContact O-CB 3.27Å; S372-R376 PolarHBondContact O-N 3.39Å; S372-A421 PolarHBondContact OG-O 3.05Å; S372-A421 VanDerWaalsContact OG-O 3.05Å
373E93.9Very high86.8Confident118 Ų11860.1 Ų60.155%0.55129%0.291SS*.Hα-helixtrans-63.7-49.6179.2-72.5162-176.800110.7K369 H370 I371 L375 R376 E377K369-E373 WeakPolarHBondContact O-CG 3.3Å; K369-E373 PolarHBondContact O-N 2.91Å; H370-E373 IonicContact ND1-OE2 3.97Å; H370-E373 PolarHBondContact O-N 3.41Å; I371-E373 VanDerWaalsContact C-N 3.35Å; I371-E373 PolarHBondContact O-N 3.18Å; E373-L375 PolarHBondContact O-N 3.41Å; E373-R376 PolarHBondContact O-N 3.03Å; E373-E377 WeakPolarHBondContact O-CB 3.05Å; E373-E377 PolarHBondContact O-N 2.82Å
374L93Very high84.7Confident23 Ų2365.1 Ų65.112%0.1231%0.314CS..Hα-helixtrans-62.4-42.5179.5-68.9176.5000112.7L348 V351 H370 I371 A378L348-L374 HydrophobicContact CB-CB 4.43Å; L348-L374 HydrophobicContact CB-CD1 4.49Å; L348-L374 HydrophobicContact CD1-CB 4Å; L348-L374 HydrophobicContact CD1-CD1 4.49Å; V351-L374 HydrophobicContact CG2-CD1 4.06Å; H370-L374 WeakPolarHBondContact O-CG 3.23Å; H370-L374 PolarHBondContact O-N 2.96Å; I371-L374 PolarHBondContact O-N 2.97Å; L374-A378 WeakPolarHBondContact O-CB 3.36Å; L374-A378 PolarHBondContact O-N 3.39Å; L374-A378 VanDerWaalsContact O-N 3.11Å
375L92.3Very high83Confident0 Ų067.4 Ų67.40%035%0.346CS..Hα-helixtrans-67.1-39.7176.1-80.4170.6000111.6L348 I371 E373 A378 V379 F397 W424 L425 F428L348-L375 HydrophobicContact CD1-CD2 4.16Å; L348-L375 HydrophobicContact CD1-CG 3.89Å; L348-L375 HydrophobicContact CD2-CD2 3.53Å; L348-L375 HydrophobicContact CD2-CG 4.13Å; L348-L375 HydrophobicContact CG-CD2 4.47Å; I371-L375 HydrophobicContact CG2-CD1 3.84Å; I371-L375 HydrophobicContact CG2-CG 4.49Å; I371-L375 WeakPolarHBondContact O-CB 3.41Å; I371-L375 PolarHBondContact O-N 2.95Å; E373-L375 PolarHBondContact O-N 3.41Å; L375-A378 PolarHBondContact O-N 3.25Å; L375-V379 VanDerWaalsContact O-CB 3.31Å; L375-V379 WeakPolarHBondContact O-CB 3.41Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 3.2Å; L375-F397 HydrophobicContact CD1-CB 4.37Å; L375-F397 HydrophobicContact CD1-CD1 4.2Å; L375-F397 HydrophobicContact CD1-CD2 3.96Å; L375-F397 HydrophobicContact CD1-CE1 4.49Å; L375-F397 HydrophobicContact CD1-CE2 4.28Å; L375-F397 HydrophobicContact CD1-CG 3.93Å; L375-F397 HydrophobicContact CD2-CB 4.48Å; L375-W424 HydrophobicContact CB-CH2 3.78Å; L375-W424 HydrophobicContact CB-CZ3 3.62Å; L375-L425 HydrophobicContact CD1-CD2 3.58Å; L375-F428 HydrophobicContact CD1-CD1 4.42Å; L375-F428 HydrophobicContact CD1-CE1 4.42Å; L375-F428 HydrophobicContact CD2-CE1 4.06Å
376R91.2Very high81.2Confident120 Ų12067.3 Ų67.345%0.45335%0.35SS..Hα-helixtrans-67.4-40.6179.6-172.4175.4179.2-161.3-4.5111.8S372 E373 A378 V379 E380 W424S372-R376 WeakPolarHBondContact O-CB 3.27Å; S372-R376 PolarHBondContact O-N 3.39Å; E373-R376 PolarHBondContact O-N 3.03Å; R376-A378 VanDerWaalsContact C-N 3.33Å; R376-V379 PolarHBondContact O-N 3.02Å; R376-E380 HydrophobicContact CG-CB 4.27Å; R376-E380 HydrophobicContact CG-CG 3.97Å; R376-E380 IonicContact CZ-OE2 2.85Å; R376-E380 IonicContact NE-OE1 3.21Å; R376-E380 IonicContact NE-OE2 2.92Å; R376-E380 PolarHBondContact NE-OE2 3.21Å; R376-E380 IonicContact NH2-OE2 3.33Å; R376-E380 PolarHBondContact NH2-OE2 3.16Å; R376-E380 WeakPolarHBondContact O-CA 3.31Å; R376-E380 VanDerWaalsContact O-CB 3.3Å; R376-E380 WeakPolarHBondContact O-CB 3.39Å; R376-E380 PolarHBondContact O-N 3.22Å; R376-W424 HydrophobicContact CB-CD2 4.45Å; R376-W424 HydrophobicContact CB-CH2 3.89Å; R376-W424 HydrophobicContact CB-CZ2 3.71Å; R376-W424 HydrophobicContact CB-CZ3 4.28Å; R376-W424 HydrophobicContact CG-CZ2 3.88Å
377E89Confident79.3Confident114 Ų11466 Ų6653%0.53335%0.354SS..Hα-helixtrans-58-47.4171.8-174.4-178.1172.300110.4E373 V379 D381E373-E377 WeakPolarHBondContact O-CB 3.05Å; E373-E377 PolarHBondContact O-N 2.82Å; E377-V379 PolarHBondContact O-N 2.98Å; E377-D381 HydrophobicContact CG-CB 4.48Å; E377-D381 CarbonylContact O-C 3.58Å; E377-D381 WeakPolarHBondContact O-CA 3.39Å; E377-D381 WeakPolarHBondContact O-CB 3.49Å; E377-D381 PolarHBondContact O-N 3.44Å; E377-D381 VanDerWaalsContact O-N 3.12Å
378A85.9Confident77.8Confident20 Ų2066.1 Ų66.117%0.16536%0.359CS..Hα-helixtrans-66.1-33.3-179.900000114L374 L375 R376 S393L374-A378 WeakPolarHBondContact O-CB 3.36Å; L374-A378 PolarHBondContact O-N 3.39Å; L374-A378 VanDerWaalsContact O-N 3.11Å; L375-A378 PolarHBondContact O-N 3.25Å; R376-A378 VanDerWaalsContact C-N 3.33Å; A378-S393 WeakPolarHBondContact CB-OG 3.5Å
379V86.9Confident76.9Confident10 Ų1067.9 Ų67.96%0.06138%0.378CS..Hα-helixtrans-92.6-43.2-1741730000112.7L375 R376 E377 P390 W424 F428L375-V379 VanDerWaalsContact O-CB 3.31Å; L375-V379 WeakPolarHBondContact O-CB 3.41Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 3.2Å; R376-V379 PolarHBondContact O-N 3.02Å; E377-V379 PolarHBondContact O-N 2.98Å; V379-P390 HydrophobicContact CG1-CB 4.15Å; V379-P390 HydrophobicContact CG1-CG 4.35Å; V379-W424 HydrophobicContact CB-CZ2 4.48Å; V379-F428 HydrophobicContact CG1-CE2 4.1Å; V379-F428 HydrophobicContact CG2-CD2 4.48Å; V379-F428 HydrophobicContact CG2-CE1 4.39Å; V379-F428 HydrophobicContact CG2-CE2 3.65Å; V379-F428 HydrophobicContact CG2-CZ 3.58Å
380E83.7Confident76.4Confident32 Ų3266.3 Ų66.315%0.1538%0.376CS..Hα-helixtrans-98.9-33.3-172.3-61.2-170.9177.600113.1R376 Q382 W424 R436 R439R376-E380 HydrophobicContact CG-CB 4.27Å; R376-E380 HydrophobicContact CG-CG 3.97Å; R376-E380 IonicContact CZ-OE2 2.85Å; R376-E380 IonicContact NE-OE1 3.21Å; R376-E380 IonicContact NE-OE2 2.92Å; R376-E380 PolarHBondContact NE-OE2 3.21Å; R376-E380 IonicContact NH2-OE2 3.33Å; R376-E380 PolarHBondContact NH2-OE2 3.16Å; R376-E380 WeakPolarHBondContact O-CA 3.31Å; R376-E380 VanDerWaalsContact O-CB 3.3Å; R376-E380 WeakPolarHBondContact O-CB 3.39Å; R376-E380 PolarHBondContact O-N 3.22Å; E380-Q382 PolarHBondContact O-N 3.45Å; E380-W424 PolarHBondContact OE1-NE1 2.76Å; E380-R436 IonicContact OE2-CZ 3.81Å; E380-R436 IonicContact OE2-NE 3.44Å; E380-R436 PolarHBondContact OE2-NE 3.42Å; E380-R436 IonicContact OE2-NH2 3.13Å; E380-R436 PolarHBondContact OE2-NH2 2.92Å; E380-R439 IonicContact OE1-NH1 3.66Å
381D73Confident76.1Confident83 Ų8365.4 Ų65.444%0.44437%0.371SS..  trans-98.770.9-176.3-62.6-25.3000109.5E377 T383E377-D381 HydrophobicContact CG-CB 4.48Å; E377-D381 CarbonylContact O-C 3.58Å; E377-D381 WeakPolarHBondContact O-CA 3.39Å; E377-D381 WeakPolarHBondContact O-CB 3.49Å; E377-D381 PolarHBondContact O-N 3.44Å; E377-D381 VanDerWaalsContact O-N 3.12Å; D381-T383 PolarHBondContact O-N 2.97Å
382Q62.4Low75.8Confident139 Ų13967 Ų6765%0.6538%0.378SS*.  trans-68.764172.2-64.5-175.81700111E380E380-Q382 PolarHBondContact O-N 3.45Å
383T51.8Low75.7Confident105 Ų10567 Ų6764%0.64438%0.379SS*.  trans-67.7134.5163.2490000108.1D381 G385 S386D381-T383 PolarHBondContact O-N 2.97Å; T383-G385 PolarHBondContact O-N 3.5Å; T383-S386 PolarHBondContact O-N 2.97Å
384H43.4Very low75.6Confident202 Ų20262.5 Ų62.594%0.93536%0.356SS*.THydrogen-bonded Turntrans-54.294.1-175.2-61.3-41.6000111.3
385G50.3Low75.7Confident72 Ų7261.6 Ų61.674%0.74235%0.352SS*.THydrogen-bonded Turntrans147.4-8.8-179.800000116.5T383 C387T383-G385 PolarHBondContact O-N 3.5Å; G385-C387 PolarHBondContact O-N 3.03Å; G385-C387 VanDerWaalsContact O-N 3.13Å
386S51.6Low75.7Confident58 Ų5861.8 Ų61.841%0.40635%0.353SS..  trans-69.2110.8173.762.50000110.7T383 G388T383-S386 PolarHBondContact O-N 2.97Å; S386-G388 PolarHBondContact O-N 3.23Å
387C50.9Low75.9Confident105 Ų10556.1 Ų56.171%0.70933%0.331SS*.SBendtrans-68.198.8169.5-87.70000108.3Y343 G385Y343-C387 CarbonylContact C-O 3.38Å; G385-C387 PolarHBondContact O-N 3.03Å; G385-C387 VanDerWaalsContact O-N 3.13Å
388G61.1Low76.1Confident23 Ų2350.7 Ų50.724%0.23731%0.306CS..SBendtrans128.3125.6168.600000113.3S386S386-G388 PolarHBondContact O-N 3.23Å
389G75.4Confident76.5Confident38 Ų3850 Ų5039%0.39230%0.299SS..  trans-75-177.517600000113.1F391 E392 S393G389-F391 PolarHBondContact O-N 3.31Å; G389-F391 VanDerWaalsContact O-N 3.1Å; G389-E392 PolarHBondContact O-N 2.89Å; G389-S393 PolarHBondContact O-N 3.45Å
390P84.3Confident76.8Confident47 Ų4750.5 Ų50.531%0.30530%0.301SS..Hα-helixtrans-52.3-34.6177-28.235.6000113.7V379 W394V379-P390 HydrophobicContact CG1-CB 4.15Å; V379-P390 HydrophobicContact CG1-CG 4.35Å; P390-W394 WeakPolarHBondContact O-CB 3.16Å; P390-W394 PolarHBondContact O-N 3.32Å
391F88.4Confident77.1Confident61 Ų6149 Ų4927%0.26829%0.294SS..Hα-helixtrans-63.5-44.3176180-97.3000112.7R299 L303 G389 S393 W394 F395R299-F391 HydrophobicContact CG-CE1 3.99Å; R299-F391 HydrophobicContact CG-CZ 4.11Å; L303-F391 HydrophobicContact CD2-CE2 3.83Å; L303-F391 HydrophobicContact CD2-CZ 3.94Å; L303-F391 HydrophobicContact CG-CZ 4.27Å; G389-F391 PolarHBondContact O-N 3.31Å; G389-F391 VanDerWaalsContact O-N 3.1Å; F391-S393 VanDerWaalsContact C-N 3.32Å; F391-S393 PolarHBondContact O-N 2.89Å; F391-W394 HydrophobicContact CD2-CE3 4.12Å; F391-W394 HydrophobicContact CD2-CZ3 4.38Å; F391-W394 HydrophobicContact CE2-CE3 4.07Å; F391-W394 AromaticContact CE2-CZ3 3.93Å; F391-W394 HydrophobicContact CE2-CZ3 3.93Å; F391-W394 PolarHBondContact O-N 3.01Å; F391-F395 HydrophobicContact CE1-CB 4.27Å; F391-F395 HydrophobicContact CE1-CG 4.48Å; F391-F395 HydrophobicContact CZ-CB 4.47Å; F391-F395 HydrophobicContact CZ-CD2 4.37Å; F391-F395 VanDerWaalsContact O-CB 3.22Å; F391-F395 WeakPolarHBondContact O-CB 3.48Å; F391-F395 PolarHBondContact O-N 3.45Å
392E89.5Confident77.8Confident33 Ų3345.9 Ų45.915%0.15428%0.281CS..Hα-helixtrans-64.3-39.5-179.7-59.4-53.6143.800111.7R299 G389 L396R299-E392 IonicContact CZ-OE1 3.46Å; R299-E392 IonicContact CZ-OE2 2.83Å; R299-E392 VanDerWaalsContact NH1-CD 3.26Å; R299-E392 IonicContact NH1-OE1 3.76Å; R299-E392 PolarHBondContact NH1-OE1 3.25Å; R299-E392 IonicContact NH1-OE2 3.61Å; R299-E392 PolarHBondContact NH1-OE2 3.33Å; R299-E392 VanDerWaalsContact NH1-OE2 3.08Å; R299-E392 IonicContact NH2-OE1 3.44Å; R299-E392 IonicContact NH2-OE2 2.67Å; R299-E392 PolarHBondContact NH2-OE2 3.37Å; G389-E392 PolarHBondContact O-N 2.89Å; E392-L396 WeakPolarHBondContact O-CB 3.27Å; E392-L396 PolarHBondContact O-N 2.73Å
393S90.8Very high79.2Confident5 Ų539.6 Ų39.64%0.03525%0.251CS..Hα-helixtrans-67.1-40.6176.9-64.30000111.6A378 G389 F391 F397A378-S393 WeakPolarHBondContact CB-OG 3.5Å; G389-S393 PolarHBondContact O-N 3.45Å; F391-S393 VanDerWaalsContact C-N 3.32Å; F391-S393 PolarHBondContact O-N 2.89Å; S393-F397 WeakPolarHBondContact O-CB 3.16Å; S393-F397 PolarHBondContact O-N 2.8Å; S393-F397 VanDerWaalsContact O-N 3.08Å
394W93.1Very high81.1Confident22 Ų2234.7 Ų34.78%0.08322%0.221CC..Hα-helixtrans-68.9-43.7175.5176.275.9000112L302 P390 F391 L396 F397 I398 F428 Y429 P432L302-W394 HydrophobicContact CD1-CH2 4.41Å; L302-W394 HydrophobicContact CD2-CH2 3.78Å; L302-W394 HydrophobicContact CD2-CZ3 3.49Å; L302-W394 VanDerWaalsContact CD2-CZ3 3.49Å; L302-W394 HydrophobicContact CG-CH2 4.35Å; L302-W394 HydrophobicContact CG-CZ3 4.38Å; P390-W394 WeakPolarHBondContact O-CB 3.16Å; P390-W394 PolarHBondContact O-N 3.32Å; F391-W394 HydrophobicContact CD2-CE3 4.12Å; F391-W394 HydrophobicContact CD2-CZ3 4.38Å; F391-W394 HydrophobicContact CE2-CE3 4.07Å; F391-W394 AromaticContact CE2-CZ3 3.93Å; F391-W394 HydrophobicContact CE2-CZ3 3.93Å; F391-W394 PolarHBondContact O-N 3.01Å; W394-L396 VanDerWaalsContact C-N 3.34Å; W394-L396 PolarHBondContact O-N 3.47Å; W394-F397 CarbonylContact O-C 3.51Å; W394-F397 WeakPolarHBondContact O-CA 3.08Å; W394-F397 WeakPolarHBondContact O-CB 3.49Å; W394-F397 PolarHBondContact O-N 2.67Å; W394-I398 HydrophobicContact CD2-CG2 4.05Å; W394-I398 HydrophobicContact CG-CG2 4.48Å; W394-I398 HydrophobicContact CH2-CD1 4.43Å; W394-I398 HydrophobicContact CH2-CG2 4.41Å; W394-I398 HydrophobicContact CZ2-CG2 3.76Å; W394-I398 HydrophobicContact CZ3-CD1 4.47Å; W394-I398 PolarHBondContact O-N 3.24Å; W394-F428 HydrophobicContact CB-CE1 4.02Å; W394-F428 HydrophobicContact CB-CE2 4.27Å; W394-F428 HydrophobicContact CB-CZ 3.57Å; W394-F428 HydrophobicContact CG-CZ 4.46Å; W394-Y429 PolarHBondContact NE1-O 3.41Å; W394-P432 HydrophobicContact CB-CB 3.89Å; W394-P432 VanDerWaalsContact CD1-CB 3.46Å; W394-P432 HydrophobicContact CD2-CB 3.65Å; W394-P432 HydrophobicContact CD2-CG 3.88Å; W394-P432 HydrophobicContact CE3-CB 4.38Å; W394-P432 HydrophobicContact CE3-CG 4.47Å; W394-P432 HydrophobicContact CG-CB 3.39Å; W394-P432 HydrophobicContact CG-CG 4.12Å; W394-P432 HydrophobicContact CZ2-CG 4.03Å
395F93.9Very high83.2Confident5 Ų526.5 Ų26.52%0.02218%0.184CC..Hα-helixtrans-58.7-47.4178.9-174-111.4000110.2R299 L302 I315 F391 F397 I398 H399R299-F395 HydrophobicContact CB-CE1 4.39Å; R299-F395 HydrophobicContact CB-CE2 4.11Å; R299-F395 HydrophobicContact CB-CZ 3.86Å; L302-F395 HydrophobicContact CD2-CD2 3.79Å; L302-F395 HydrophobicContact CD2-CE2 3.98Å; I315-F395 HydrophobicContact CD1-CE2 4.24Å; F391-F395 HydrophobicContact CE1-CB 4.27Å; F391-F395 HydrophobicContact CE1-CG 4.48Å; F391-F395 HydrophobicContact CZ-CB 4.47Å; F391-F395 HydrophobicContact CZ-CD2 4.37Å; F391-F395 VanDerWaalsContact O-CB 3.22Å; F391-F395 WeakPolarHBondContact O-CB 3.48Å; F391-F395 PolarHBondContact O-N 3.45Å; F395-F397 VanDerWaalsContact C-N 3.3Å; F395-F397 PolarHBondContact O-N 3.29Å; F395-I398 HydrophobicContact CD2-CD1 3.94Å; F395-I398 HydrophobicContact CD2-CG1 4.36Å; F395-I398 HydrophobicContact CE2-CD1 4.28Å; F395-I398 WeakPolarHBondContact O-CG1 3.33Å; F395-I398 PolarHBondContact O-N 2.96Å; F395-H399 AromaticContact CD1-NE2 3.93Å; F395-H399 AromaticContact CE1-NE2 3.36Å; F395-H399 WeakPolarHBondContact CE1-NE2 3.45Å; F395-H399 AromaticContact CZ-NE2 3.5Å; F395-H399 PolarHBondContact O-CD2 3.46Å; F395-H399 PolarHBondContact O-N 3.14Å
396L93.5Very high85Confident3 Ų323.2 Ų23.22%0.01615%0.149CC..Hα-helixtrans-58.6-42171.4-17970.5000112.2F341 T344 L348 A349 L352 E392 W394 I398 H399 F400F341-L396 HydrophobicContact CB-CD1 4.22Å; F341-L396 HydrophobicContact CD1-CD1 3.42Å; F341-L396 VanDerWaalsContact CD1-CD1 3.42Å; F341-L396 HydrophobicContact CD2-CD1 4.27Å; F341-L396 HydrophobicContact CE1-CD1 3.72Å; F341-L396 HydrophobicContact CG-CD1 3.71Å; F341-L396 HydrophobicContact CZ-CD1 4.27Å; T344-L396 HydrophobicContact CG2-CB 3.86Å; T344-L396 HydrophobicContact CG2-CD2 3.74Å; T344-L396 HydrophobicContact CG2-CG 4.27Å; L348-L396 HydrophobicContact CD2-CD2 3.8Å; L348-L396 HydrophobicContact CG-CD2 3.83Å; A349-L396 HydrophobicContact CB-CD2 4.38Å; L352-L396 HydrophobicContact CD1-CD2 3.82Å; L352-L396 HydrophobicContact CD1-CG 3.81Å; E392-L396 WeakPolarHBondContact O-CB 3.27Å; E392-L396 PolarHBondContact O-N 2.73Å; W394-L396 VanDerWaalsContact C-N 3.34Å; W394-L396 PolarHBondContact O-N 3.47Å; L396-I398 VanDerWaalsContact C-N 3.34Å; L396-I398 PolarHBondContact O-N 2.98Å; L396-H399 WeakPolarHBondContact O-CB 3.41Å; L396-H399 PolarHBondContact O-N 3.24Å; L396-F400 HydrophobicContact CD1-CD2 4.44Å; L396-F400 HydrophobicContact CD1-CE2 3.81Å; L396-F400 HydrophobicContact CG-CE2 4.44Å; L396-F400 VanDerWaalsContact O-CD2 3.31Å; L396-F400 WeakPolarHBondContact O-CD2 3.49Å
397F94.4Very high86.9Confident1 Ų120.4 Ų20.40%0.00413%0.129CC..Hα-helixtrans-65.3-35.9-178.1-171.8-136.6000112.7L352 I371 L375 S393 W394 F395 H399 F400 G401 W403 A404 L425 F428 Y429L352-F397 HydrophobicContact CD2-CD2 3.93Å; L352-F397 HydrophobicContact CD2-CE2 4.22Å; I371-F397 HydrophobicContact CG2-CE2 4.26Å; L375-F397 HydrophobicContact CD1-CB 4.37Å; L375-F397 HydrophobicContact CD1-CD1 4.2Å; L375-F397 HydrophobicContact CD1-CD2 3.96Å; L375-F397 HydrophobicContact CD1-CE1 4.49Å; L375-F397 HydrophobicContact CD1-CE2 4.28Å; L375-F397 HydrophobicContact CD1-CG 3.93Å; L375-F397 HydrophobicContact CD2-CB 4.48Å; S393-F397 WeakPolarHBondContact O-CB 3.16Å; S393-F397 PolarHBondContact O-N 2.8Å; S393-F397 VanDerWaalsContact O-N 3.08Å; W394-F397 CarbonylContact O-C 3.51Å; W394-F397 WeakPolarHBondContact O-CA 3.08Å; W394-F397 WeakPolarHBondContact O-CB 3.49Å; W394-F397 PolarHBondContact O-N 2.67Å; F395-F397 VanDerWaalsContact C-N 3.3Å; F395-F397 PolarHBondContact O-N 3.29Å; F397-H399 VanDerWaalsContact C-N 3.34Å; F397-H399 PolarHBondContact O-N 3.01Å; F397-F400 CarbonylContact O-C 3.57Å; F397-F400 VanDerWaalsContact O-C 3.27Å; F397-F400 PolarHBondContact O-N 3.21Å; F397-F400 VanDerWaalsContact O-N 3.13Å; F397-G401 PolarHBondContact O-N 3.18Å; F397-W403 HydrophobicContact CE2-CB 3.92Å; F397-A404 HydrophobicContact CE1-CB 4.21Å; F397-A404 HydrophobicContact CZ-CB 4.02Å; F397-L425 HydrophobicContact CE1-CD2 4.39Å; F397-L425 HydrophobicContact CZ-CD2 4.12Å; F397-F428 HydrophobicContact CD1-CD1 4.27Å; F397-F428 HydrophobicContact CD1-CE1 4.49Å; F397-Y429 AromaticContact CD1-CD2 3.86Å; F397-Y429 HydrophobicContact CD1-CD2 3.86Å; F397-Y429 AromaticContact CE1-CD2 3.78Å; F397-Y429 HydrophobicContact CE1-CD2 3.78Å; F397-Y429 HydrophobicContact CE1-CG 4.33Å
398I94.4Very high88.8Confident1 Ų115.6 Ų15.61%0.00510%0.097CC..Hα-helixtrans-68-30.717863.3160.9000113L302 I315 Q316 W394 F395 L396 F400 G401 Y429L302-I398 HydrophobicContact CD1-CD1 4.44Å; L302-I398 HydrophobicContact CD2-CD1 3.6Å; I315-I398 HydrophobicContact CD1-CD1 3.92Å; Q316-I398 WeakPolarHBondContact CG-O 3.22Å; Q316-I398 PolarHBondContact NE2-O 2.9Å; W394-I398 HydrophobicContact CD2-CG2 4.05Å; W394-I398 HydrophobicContact CG-CG2 4.48Å; W394-I398 HydrophobicContact CH2-CD1 4.43Å; W394-I398 HydrophobicContact CH2-CG2 4.41Å; W394-I398 HydrophobicContact CZ2-CG2 3.76Å; W394-I398 HydrophobicContact CZ3-CD1 4.47Å; W394-I398 PolarHBondContact O-N 3.24Å; F395-I398 HydrophobicContact CD2-CD1 3.94Å; F395-I398 HydrophobicContact CD2-CG1 4.36Å; F395-I398 HydrophobicContact CE2-CD1 4.28Å; F395-I398 WeakPolarHBondContact O-CG1 3.33Å; F395-I398 PolarHBondContact O-N 2.96Å; L396-I398 VanDerWaalsContact C-N 3.34Å; L396-I398 PolarHBondContact O-N 2.98Å; I398-F400 PolarHBondContact O-N 3.35Å; I398-G401 PolarHBondContact O-N 3.25Å; I398-G401 VanDerWaalsContact O-N 3.09Å; I398-Y429 HydrophobicContact CG2-CD2 4.48Å; I398-Y429 HydrophobicContact CG2-CE2 4.03Å
399H93.7Very high89.9Confident4 Ų415 Ų152%0.0199%0.088CC..Hα-helixtrans-53.6-36.4171.6-80.9-84.9000111.6D295 I315 T319 F395 L396 F397D295-H399 IonicContact OD1-CE1 2.79Å; D295-H399 PolarHBondContact OD1-CE1 3.1Å; D295-H399 IonicContact OD1-NE2 3.44Å; D295-H399 PolarHBondContact OD1-NE2 3.19Å; I315-H399 WeakPolarHBondContact CG2-ND1 3.33Å; T319-H399 WeakPolarHBondContact CB-O 3.47Å; T319-H399 HydrophobicContact CG2-CB 3.91Å; T319-H399 PolarHBondContact OG1-ND1 2.84Å; F395-H399 AromaticContact CD1-NE2 3.93Å; F395-H399 AromaticContact CE1-NE2 3.36Å; F395-H399 WeakPolarHBondContact CE1-NE2 3.45Å; F395-H399 AromaticContact CZ-NE2 3.5Å; F395-H399 PolarHBondContact O-CD2 3.46Å; F395-H399 PolarHBondContact O-N 3.14Å; L396-H399 WeakPolarHBondContact O-CB 3.41Å; L396-H399 PolarHBondContact O-N 3.24Å; F397-H399 VanDerWaalsContact C-N 3.34Å; F397-H399 PolarHBondContact O-N 3.01Å
400F92.8Very high90.4Very high22 Ų2215.5 Ų15.510%0.0968%0.08CC..THydrogen-bonded Turntrans-109.338.3-179.5-51.8-82.2000111.8T319 F341 L352 L353 L396 F397 I398 G402 W403T319-F400 HydrophobicContact CG2-CD1 4.23Å; T319-F400 HydrophobicContact CG2-CE1 3.83Å; T319-F400 HydrophobicContact CG2-CZ 4.12Å; F341-F400 HydrophobicContact CE2-CE2 4.45Å; F341-F400 HydrophobicContact CE2-CZ 4.12Å; F341-F400 HydrophobicContact CZ-CE2 4.13Å; F341-F400 AromaticContact CZ-CZ 3.96Å; F341-F400 HydrophobicContact CZ-CZ 3.96Å; L352-F400 HydrophobicContact CB-CB 4.18Å; L352-F400 HydrophobicContact CB-CD1 4.38Å; L352-F400 HydrophobicContact CB-CD2 3.54Å; L352-F400 HydrophobicContact CB-CE2 3.96Å; L352-F400 HydrophobicContact CB-CG 3.78Å; L352-F400 HydrophobicContact CD1-CD2 3.95Å; L352-F400 HydrophobicContact CD2-CB 4.32Å; L352-F400 HydrophobicContact CG-CD2 4.27Å; L352-F400 VanDerWaalsContact O-CD1 3.26Å; L352-F400 WeakPolarHBondContact O-CD1 3.3Å; L353-F400 HydrophobicContact CD2-CE1 3.63Å; L353-F400 HydrophobicContact CD2-CZ 3.62Å; L353-F400 HydrophobicContact CG-CE1 3.94Å; L353-F400 HydrophobicContact CG-CZ 3.71Å; L396-F400 HydrophobicContact CD1-CD2 4.44Å; L396-F400 HydrophobicContact CD1-CE2 3.81Å; L396-F400 HydrophobicContact CG-CE2 4.44Å; L396-F400 VanDerWaalsContact O-CD2 3.31Å; L396-F400 WeakPolarHBondContact O-CD2 3.49Å; F397-F400 CarbonylContact O-C 3.57Å; F397-F400 VanDerWaalsContact O-C 3.27Å; F397-F400 PolarHBondContact O-N 3.21Å; F397-F400 VanDerWaalsContact O-N 3.13Å; I398-F400 PolarHBondContact O-N 3.35Å; F400-G402 PolarHBondContact O-N 3.49Å; F400-W403 VanDerWaalsContact O-CD1 3.27Å; F400-W403 PolarHBondContact O-N 3Å
401G89.8Confident90.6Very high1 Ų113.2 Ų13.21%0.017%0.066CC..THydrogen-bonded Turntrans-57.4-17.3-174.700000115.9F397 I398 W403 A404 E405F397-G401 PolarHBondContact O-N 3.18Å; I398-G401 PolarHBondContact O-N 3.25Å; I398-G401 VanDerWaalsContact O-N 3.09Å; G401-W403 PolarHBondContact O-N 2.98Å; G401-W403 VanDerWaalsContact O-N 3.14Å; G401-A404 WeakPolarHBondContact O-CB 3.34Å; G401-A404 PolarHBondContact O-N 3.37Å; G401-E405 PolarHBondContact O-N 3.3Å
402G88.2Confident90.4Very high16 Ų1611.3 Ų11.317%0.1656%0.058CC..Hα-helixtrans-55.5-28.7170.200000113.5F400 E405 M406F400-G402 PolarHBondContact O-N 3.49Å; G402-E405 PolarHBondContact O-N 2.99Å; G402-M406 WeakPolarHBondContact O-CG 3.28Å; G402-M406 PolarHBondContact O-N 3.21Å
403W92.2Very high89.9Confident7 Ų715.6 Ų15.63%0.0278%0.08CC..Hα-helixtrans-65.2-41.3172.3-70.1113.1000112.4L352 Q354 P356 I359 T367 L368 I371 F397 F400 G401 E405 M406 V407L352-W403 HydrophobicContact CD2-CG 4.27Å; L352-W403 PolarHBondContact O-NE1 2.93Å; Q354-W403 HydrophobicContact CB-CZ2 4.44Å; Q354-W403 WeakPolarHBondContact O-CZ2 3.33Å; P356-W403 HydrophobicContact CG-CH2 4.12Å; P356-W403 HydrophobicContact CG-CZ2 4.15Å; P356-W403 HydrophobicContact CG-CZ3 4.38Å; I359-W403 HydrophobicContact CD1-CH2 3.71Å; T367-W403 HydrophobicContact CG2-CH2 3.9Å; T367-W403 HydrophobicContact CG2-CZ3 4.07Å; L368-W403 HydrophobicContact CD2-CE3 3.65Å; L368-W403 HydrophobicContact CD2-CZ3 4.28Å; I371-W403 HydrophobicContact CD1-CD2 3.72Å; I371-W403 HydrophobicContact CD1-CE3 3.84Å; I371-W403 HydrophobicContact CD1-CG 4.09Å; I371-W403 HydrophobicContact CD1-CH2 4.49Å; I371-W403 HydrophobicContact CD1-CZ2 4.4Å; I371-W403 HydrophobicContact CD1-CZ3 4.23Å; F397-W403 HydrophobicContact CE2-CB 3.92Å; F400-W403 VanDerWaalsContact O-CD1 3.27Å; F400-W403 PolarHBondContact O-N 3Å; G401-W403 PolarHBondContact O-N 2.98Å; G401-W403 VanDerWaalsContact O-N 3.14Å; W403-E405 VanDerWaalsContact C-N 3.32Å; W403-E405 PolarHBondContact O-N 3.17Å; W403-M406 HydrophobicContact CE3-SD 3.98Å; W403-M406 HydrophobicContact CZ3-CE 4.34Å; W403-M406 HydrophobicContact CZ3-SD 4.18Å; W403-M406 WeakPolarHBondContact O-CB 3.29Å; W403-M406 PolarHBondContact O-N 3.36Å; W403-V407 VanDerWaalsContact O-CG2 3.31Å; W403-V407 WeakPolarHBondContact O-CG2 3.47Å; W403-V407 PolarHBondContact O-N 2.95Å
404A91.8Very high89.2Confident2 Ų216.9 Ų16.92%0.0179%0.088CC..Hα-helixtrans-63.6-39.7178.100000111.5F397 G401 V407 A408 L426 Y429F397-A404 HydrophobicContact CE1-CB 4.21Å; F397-A404 HydrophobicContact CZ-CB 4.02Å; G401-A404 WeakPolarHBondContact O-CB 3.34Å; G401-A404 PolarHBondContact O-N 3.37Å; A404-V407 WeakPolarHBondContact O-CB 3.36Å; A404-V407 PolarHBondContact O-N 3.21Å; A404-A408 PolarHBondContact O-N 2.82Å; A404-L426 WeakPolarHBondContact O-CD2 3.36Å; A404-Y429 HydrophobicContact CB-CD1 4.21Å; A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE1 4.42Å; A404-Y429 HydrophobicContact CB-CE2 3.84Å; A404-Y429 HydrophobicContact CB-CG 3.79Å
405E87.3Confident87.9Confident31 Ų3120 Ų2015%0.14512%0.119CC..Hα-helixtrans-64-42.7174.3-61.9175.7-119.600111.9G401 G402 W403 V407 A408 E409 Q528 R532G401-E405 PolarHBondContact O-N 3.3Å; G402-E405 PolarHBondContact O-N 2.99Å; W403-E405 VanDerWaalsContact C-N 3.32Å; W403-E405 PolarHBondContact O-N 3.17Å; E405-V407 VanDerWaalsContact C-N 3.26Å; E405-V407 PolarHBondContact O-N 3.06Å; E405-A408 WeakPolarHBondContact O-CB 3.37Å; E405-A408 PolarHBondContact O-N 3.37Å; E405-A408 VanDerWaalsContact O-N 3.16Å; E405-E409 PolarHBondContact O-N 3.38Å; E405-E409 VanDerWaalsContact O-N 3.09Å; E405-Q528 WeakPolarHBondContact OE1-CG 3.5Å; E405-Q528 PolarHBondContact OE1-NE2 3.4Å; E405-R532 WeakPolarHBondContact OE2-CD 3.49Å; E405-R532 IonicContact OE2-CZ 2.8Å; E405-R532 VanDerWaalsContact OE2-CZ 3.27Å; E405-R532 IonicContact OE2-NE 3.24Å; E405-R532 PolarHBondContact OE2-NE 3.4Å; E405-R532 IonicContact OE2-NH2 3.45Å; E405-R532 PolarHBondContact OE2-NH2 2.66Å
406M88.2Confident87.1Confident2 Ų222.9 Ų22.91%0.0114%0.144CC..Hα-helixtrans-60.8-36.1174.4-72.1177.273.600112.1P356 W364 G402 W403 E409 Q410P356-M406 HydrophobicContact CB-CE 3.86Å; P356-M406 HydrophobicContact CB-SD 3.57Å; P356-M406 VanDerWaalsContact CB-SD 3.57Å; P356-M406 HydrophobicContact CG-SD 3.66Å; W364-M406 HydrophobicContact CB-CE 4.48Å; W364-M406 HydrophobicContact CD2-CE 3.38Å; W364-M406 HydrophobicContact CE3-CE 3.53Å; W364-M406 HydrophobicContact CG-CE 3.85Å; W364-M406 HydrophobicContact CH2-CE 4.02Å; W364-M406 HydrophobicContact CZ2-CE 3.9Å; W364-M406 HydrophobicContact CZ3-CE 3.86Å; G402-M406 WeakPolarHBondContact O-CG 3.28Å; G402-M406 PolarHBondContact O-N 3.21Å; W403-M406 HydrophobicContact CE3-SD 3.98Å; W403-M406 HydrophobicContact CZ3-CE 4.34Å; W403-M406 HydrophobicContact CZ3-SD 4.18Å; W403-M406 WeakPolarHBondContact O-CB 3.29Å; W403-M406 PolarHBondContact O-N 3.36Å; M406-E409 PolarHBondContact O-N 3.48Å; M406-Q410 WeakPolarHBondContact O-CB 3.25Å; M406-Q410 VanDerWaalsContact O-CG 3.23Å; M406-Q410 WeakPolarHBondContact O-CG 3.25Å; M406-Q410 PolarHBondContact O-N 3.19Å
407V92Very high86.5Confident0 Ų029.2 Ų29.20%017%0.173CC..Hα-helixtrans-60.5-46.5174.6178.10000110.9L368 W403 A404 E405 E409 Q410 L411 L422 L425 L426L368-V407 HydrophobicContact CD1-CG2 3.98Å; L368-V407 HydrophobicContact CD2-CG2 3.59Å; L368-V407 HydrophobicContact CG-CG2 4.24Å; W403-V407 VanDerWaalsContact O-CG2 3.31Å; W403-V407 WeakPolarHBondContact O-CG2 3.47Å; W403-V407 PolarHBondContact O-N 2.95Å; A404-V407 WeakPolarHBondContact O-CB 3.36Å; A404-V407 PolarHBondContact O-N 3.21Å; E405-V407 VanDerWaalsContact C-N 3.26Å; E405-V407 PolarHBondContact O-N 3.06Å; V407-E409 VanDerWaalsContact C-N 3.33Å; V407-E409 PolarHBondContact O-N 3.32Å; V407-Q410 PolarHBondContact O-N 3.43Å; V407-L411 HydrophobicContact CG1-CD1 4.09Å; V407-L411 HydrophobicContact CG1-CG 4.45Å; V407-L411 WeakPolarHBondContact O-CG 3.48Å; V407-L411 PolarHBondContact O-N 2.84Å; V407-L422 HydrophobicContact CG1-CB 3.68Å; V407-L422 HydrophobicContact CG1-CD1 4.34Å; V407-L422 HydrophobicContact CG1-CD2 4.14Å; V407-L422 HydrophobicContact CG1-CG 4.24Å; V407-L422 WeakPolarHBondContact CG1-O 3.27Å; V407-L422 HydrophobicContact CG2-CD2 4.33Å; V407-L425 HydrophobicContact CG2-CB 4.3Å; V407-L425 HydrophobicContact CG2-CD1 3.78Å; V407-L426 HydrophobicContact CB-CD2 4.04Å; V407-L426 HydrophobicContact CB-CG 4.24Å; V407-L426 HydrophobicContact CG1-CD1 4.02Å; V407-L426 HydrophobicContact CG1-CD2 4.03Å; V407-L426 HydrophobicContact CG1-CG 3.65Å
408A89.2Confident86Confident4 Ų429.7 Ų29.73%0.03318%0.177CC..Hα-helixtrans-60.4-42.9178.900000111.9A404 E405 L411 L412 L426 L490A404-A408 PolarHBondContact O-N 2.82Å; E405-A408 WeakPolarHBondContact O-CB 3.37Å; E405-A408 PolarHBondContact O-N 3.37Å; E405-A408 VanDerWaalsContact O-N 3.16Å; A408-L411 PolarHBondContact O-N 2.85Å; A408-L412 PolarHBondContact O-N 3.37Å; A408-L426 HydrophobicContact CB-CD1 4.34Å; A408-L426 HydrophobicContact CB-CD2 4.41Å; A408-L490 HydrophobicContact CB-CD2 4.06Å
409E84.7Confident85.7Confident10 Ų1030.9 Ų30.95%0.04718%0.184CC..Hα-helixtrans-64.9-46.3175.9-67.6-178.2161.100112.4E405 M406 V407 L411 L412 M413 W497 R532 W533E405-E409 PolarHBondContact O-N 3.38Å; E405-E409 VanDerWaalsContact O-N 3.09Å; M406-E409 PolarHBondContact O-N 3.48Å; V407-E409 VanDerWaalsContact C-N 3.33Å; V407-E409 PolarHBondContact O-N 3.32Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 2.9Å; E409-L412 PolarHBondContact O-N 3.04Å; E409-M413 WeakPolarHBondContact O-CB 3.5Å; E409-M413 VanDerWaalsContact O-CG 3.28Å; E409-M413 WeakPolarHBondContact O-CG 3.18Å; E409-M413 PolarHBondContact O-N 3.19Å; E409-W497 HydrophobicContact CG-CZ2 4.44Å; E409-W497 VanDerWaalsContact OE1-CZ2 3.24Å; E409-W497 WeakPolarHBondContact OE1-CZ2 3.3Å; E409-W497 PolarHBondContact OE1-NE1 3.5Å; E409-R532 VanDerWaalsContact CD-NH2 3.26Å; E409-R532 IonicContact OE1-CZ 3.24Å; E409-R532 VanDerWaalsContact OE1-CZ 3.26Å; E409-R532 IonicContact OE1-NH1 2.79Å; E409-R532 PolarHBondContact OE1-NH1 3.14Å; E409-R532 IonicContact OE1-NH2 2.84Å; E409-R532 PolarHBondContact OE1-NH2 3.48Å; E409-R532 IonicContact OE2-CZ 3.29Å; E409-R532 IonicContact OE2-NH1 3.56Å; E409-R532 PolarHBondContact OE2-NH1 2.85Å; E409-R532 IonicContact OE2-NH2 3.44Å; E409-W533 PolarHBondContact OE1-NE1 2.78Å
410Q86.4Confident85.7Confident48 Ų4835.1 Ų35.122%0.22421%0.211CC..Hα-helixtrans-61.8-35.7179.5-73.2-60.4-57.100112.2L368 M406 V407 M413 S414 L422L368-Q410 HydrophobicContact CD1-CB 4.37Å; L368-Q410 HydrophobicContact CD1-CG 3.91Å; M406-Q410 WeakPolarHBondContact O-CB 3.25Å; M406-Q410 VanDerWaalsContact O-CG 3.23Å; M406-Q410 WeakPolarHBondContact O-CG 3.25Å; M406-Q410 PolarHBondContact O-N 3.19Å; V407-Q410 PolarHBondContact O-N 3.43Å; Q410-M413 PolarHBondContact O-N 3.46Å; Q410-S414 WeakPolarHBondContact O-CB 3.35Å; Q410-S414 PolarHBondContact O-N 3.14Å; Q410-L422 HydrophobicContact CB-CD1 4.18Å
411L88.5Confident85.7Confident0 Ų035.2 Ų35.20%022%0.215CC..Hα-helixtrans-65.8-37.8176.9-76173.5000112.9V407 A408 E409 P418 L422 L423 L426 L450V407-L411 HydrophobicContact CG1-CD1 4.09Å; V407-L411 HydrophobicContact CG1-CG 4.45Å; V407-L411 WeakPolarHBondContact O-CG 3.48Å; V407-L411 PolarHBondContact O-N 2.84Å; A408-L411 PolarHBondContact O-N 2.85Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 2.9Å; L411-P418 HydrophobicContact CD2-CB 3.53Å; L411-L422 HydrophobicContact CD1-CB 4.2Å; L411-L422 HydrophobicContact CD2-CB 3.74Å; L411-L422 HydrophobicContact CD2-CD1 4.03Å; L411-L422 HydrophobicContact CD2-CG 4.49Å; L411-L422 HydrophobicContact CG-CB 4.02Å; L411-L422 HydrophobicContact CG-CD1 4.12Å; L411-L423 HydrophobicContact CD1-CD2 4.21Å; L411-L426 HydrophobicContact CD1-CD1 3.44Å; L411-L426 VanDerWaalsContact CD1-CD1 3.44Å; L411-L426 HydrophobicContact CD1-CG 4.43Å; L411-L450 HydrophobicContact CB-CD1 4.33Å; L411-L450 HydrophobicContact CB-CD2 4.33Å; L411-L450 HydrophobicContact CD1-CD1 3.97Å
412L84Confident85.9Confident20 Ų2035.3 Ų35.311%0.10522%0.215CC..Hα-helixtrans-79.1-26.5179.1-71.1167000113.1A408 E409 L450 L453 L454 N493 F494A408-L412 PolarHBondContact O-N 3.37Å; E409-L412 PolarHBondContact O-N 3.04Å; L412-L450 HydrophobicContact CD2-CD2 3.9Å; L412-L450 HydrophobicContact CG-CD2 4.35Å; L412-L453 HydrophobicContact CD2-CB 4.4Å; L412-L453 HydrophobicContact CD2-CD1 4.24Å; L412-L454 WeakPolarHBondContact O-CD2 3.31Å; L412-N493 HydrophobicContact CD1-CB 3.32Å; L412-F494 HydrophobicContact CD1-CB 4.38Å; L412-F494 HydrophobicContact CD2-CB 4.21Å; L412-F494 HydrophobicContact CD2-CD2 4.37Å
413M78.7Confident86.2Confident124 Ų12434.7 Ų34.761%0.61121%0.209SC*.Hα-helixtrans-86.5-14.8177.6-64.4-61.2-69.700113.3E409 Q410 A415E409-M413 WeakPolarHBondContact O-CB 3.5Å; E409-M413 VanDerWaalsContact O-CG 3.28Å; E409-M413 WeakPolarHBondContact O-CG 3.18Å; E409-M413 PolarHBondContact O-N 3.19Å; Q410-M413 PolarHBondContact O-N 3.46Å; M413-A415 PolarHBondContact O-N 3.35Å
414S76.2Confident86.4Confident31 Ų3134.8 Ų34.822%0.21721%0.209CC..  trans-70.6122.7178.4-179.50000111.2Q410 A416Q410-S414 WeakPolarHBondContact O-CB 3.35Å; Q410-S414 PolarHBondContact O-N 3.14Å; S414-A416 PolarHBondContact O-N 3.39Å; S414-A416 PolarHBondContact OG-N 2.94Å; S414-A416 PolarHBondContact OG-O 3.46Å; S414-A416 VanDerWaalsContact OG-O 3.11Å
415A66.9Low86.5Confident88 Ų8834.8 Ų34.873%0.72721%0.208SC*.SBendtrans-73.8-16.6171.500000113.1M413 R458M413-A415 PolarHBondContact O-N 3.35Å; A415-R458 PolarHBondContact O-NH2 2.92Å
416A75.9Confident86.9Confident65 Ų6533.3 Ų33.354%0.53720%0.202SC..SBendtrans-99.1170.3-17700000111.6S414S414-A416 PolarHBondContact O-N 3.39Å; S414-A416 PolarHBondContact OG-N 2.94Å; S414-A416 PolarHBondContact OG-O 3.46Å; S414-A416 VanDerWaalsContact OG-O 3.11Å
417E81.4Confident87.2Confident136 Ų13633.2 Ų33.264%0.63620%0.201SC*.PPolyproline II helixtrans-51.4134.1175.1-169178.717900111.2P419 K447E417-P419 WeakPolarHBondContact O-CD 3.45Å; E417-K447 WeakPolarHBondContact OE1-CE 3.37Å; E417-K447 IonicContact OE1-NZ 2.64Å; E417-K447 PolarHBondContact OE1-NZ 3.36Å
418P83.8Confident87.3Confident12 Ų1233.2 Ų33.28%0.07820%0.201CC..PPolyproline II helixtrans-59.7123.4-177.523.8-35.4000110.5L411 T420 L423 K447 L450L411-P418 HydrophobicContact CD2-CB 3.53Å; P418-T420 PolarHBondContact O-N 3.45Å; P418-L423 HydrophobicContact CB-CD1 4.24Å; P418-L423 HydrophobicContact CB-CD2 4.29Å; P418-L423 HydrophobicContact CB-CG 4.3Å; P418-L423 HydrophobicContact CG-CD1 4.27Å; P418-K447 HydrophobicContact CG-CG 4.02Å; P418-L450 HydrophobicContact CB-CD1 4.44Å
419P89.2Confident87.5Confident26 Ų2634.5 Ų34.517%0.16921%0.206CC..PPolyproline II helixtrans-62131.9-178.5-22.132.3000111.6L365 E417 A421 L422 L423L365-P419 HydrophobicContact CD1-CG 4.01Å; E417-P419 WeakPolarHBondContact O-CD 3.45Å; P419-A421 PolarHBondContact O-N 3.13Å; P419-A421 VanDerWaalsContact O-N 3.13Å; P419-L422 HydrophobicContact CB-CG 4.2Å; P419-L422 HydrophobicContact CG-CD1 4.34Å; P419-L422 HydrophobicContact CG-CG 4.36Å; P419-L422 WeakPolarHBondContact O-CB 3.44Å; P419-L422 PolarHBondContact O-N 3.12Å; P419-L423 PolarHBondContact O-N 2.93Å
420T92.4Very high87.8Confident93 Ų9335.9 Ų35.957%0.57121%0.211SC*.Hα-helixtrans-53.3-37.1-179.3-51.10000113.2P418 L422 L423 W424 M443P418-T420 PolarHBondContact O-N 3.45Å; T420-L422 PolarHBondContact O-N 2.66Å; T420-L423 PolarHBondContact O-N 2.79Å; T420-W424 WeakPolarHBondContact O-CB 3.22Å; T420-W424 PolarHBondContact O-N 3.11Å; T420-M443 HydrophobicContact CG2-CE 3.58Å
421A93.6Very high87.9Confident24 Ų2433.7 Ų33.720%0.19820%0.201CC..Hα-helixtrans-60.6-41.7177.100000112.8K369 S372 P419 W424 L425K369-A421 HydrophobicContact CG-CB 4.08Å; S372-A421 PolarHBondContact OG-O 3.05Å; S372-A421 VanDerWaalsContact OG-O 3.05Å; P419-A421 PolarHBondContact O-N 3.13Å; P419-A421 VanDerWaalsContact O-N 3.13Å; A421-W424 PolarHBondContact O-N 3.2Å; A421-L425 PolarHBondContact O-N 3.39Å
422L94.4Very high87.9Confident2 Ų234.9 Ų34.91%0.0121%0.209CC..Hα-helixtrans-70.1-40.7179.2-66.5-158.3000111.7L365 L368 V407 Q410 L411 P419 T420 W424 L425 L426L365-L422 HydrophobicContact CD1-CD1 3.74Å; L365-L422 HydrophobicContact CD1-CD2 4.41Å; L365-L422 HydrophobicContact CD1-CG 4.18Å; L368-L422 HydrophobicContact CB-CD2 3.47Å; L368-L422 VanDerWaalsContact CB-CD2 3.47Å; L368-L422 HydrophobicContact CD1-CD2 4.14Å; L368-L422 HydrophobicContact CG-CD2 4.43Å; V407-L422 HydrophobicContact CG1-CB 3.68Å; V407-L422 HydrophobicContact CG1-CD1 4.34Å; V407-L422 HydrophobicContact CG1-CD2 4.14Å; V407-L422 HydrophobicContact CG1-CG 4.24Å; V407-L422 WeakPolarHBondContact CG1-O 3.27Å; V407-L422 HydrophobicContact CG2-CD2 4.33Å; Q410-L422 HydrophobicContact CB-CD1 4.18Å; L411-L422 HydrophobicContact CD1-CB 4.2Å; L411-L422 HydrophobicContact CD2-CB 3.74Å; L411-L422 HydrophobicContact CD2-CD1 4.03Å; L411-L422 HydrophobicContact CD2-CG 4.49Å; L411-L422 HydrophobicContact CG-CB 4.02Å; L411-L422 HydrophobicContact CG-CD1 4.12Å; P419-L422 HydrophobicContact CB-CG 4.2Å; P419-L422 HydrophobicContact CG-CD1 4.34Å; P419-L422 HydrophobicContact CG-CG 4.36Å; P419-L422 WeakPolarHBondContact O-CB 3.44Å; P419-L422 PolarHBondContact O-N 3.12Å; T420-L422 PolarHBondContact O-N 2.66Å; L422-W424 VanDerWaalsContact C-N 3.28Å; L422-W424 PolarHBondContact O-N 3.25Å; L422-L425 HydrophobicContact CD2-CD1 4.35Å; L422-L425 PolarHBondContact O-N 3.47Å; L422-L426 PolarHBondContact O-N 3.02Å; L422-L426 VanDerWaalsContact O-N 3.17Å
423L94Very high87.9Confident4 Ų442.8 Ų42.82%0.02124%0.237CC..Hα-helixtrans-60.8-40.6173.5-66.1172.4000111.5L411 P418 P419 T420 L426 A427 M443 V446 K447 L450L411-L423 HydrophobicContact CD1-CD2 4.21Å; P418-L423 HydrophobicContact CB-CD1 4.24Å; P418-L423 HydrophobicContact CB-CD2 4.29Å; P418-L423 HydrophobicContact CB-CG 4.3Å; P418-L423 HydrophobicContact CG-CD1 4.27Å; P419-L423 PolarHBondContact O-N 2.93Å; T420-L423 PolarHBondContact O-N 2.79Å; L423-L426 PolarHBondContact O-N 3.32Å; L423-A427 WeakPolarHBondContact O-CB 3.17Å; L423-A427 PolarHBondContact O-N 2.89Å; L423-M443 HydrophobicContact CB-CB 4.5Å; L423-M443 HydrophobicContact CB-CE 4.16Å; L423-M443 HydrophobicContact CB-CG 4.25Å; L423-V446 HydrophobicContact CD2-CG1 3.91Å; L423-K447 HydrophobicContact CD1-CB 3.91Å; L423-K447 HydrophobicContact CD1-CD 4.17Å; L423-K447 HydrophobicContact CD1-CG 4.12Å; L423-L450 HydrophobicContact CD2-CD1 3.52Å
424W95.2Very high88.2Confident9 Ų938.3 Ų38.33%0.03422%0.216CC..Hα-helixtrans-63.1-43.5177.1-175.197.3000111.5L375 R376 V379 E380 T420 A421 L422 L426 A427 F428 M443L375-W424 HydrophobicContact CB-CH2 3.78Å; L375-W424 HydrophobicContact CB-CZ3 3.62Å; R376-W424 HydrophobicContact CB-CD2 4.45Å; R376-W424 HydrophobicContact CB-CH2 3.89Å; R376-W424 HydrophobicContact CB-CZ2 3.71Å; R376-W424 HydrophobicContact CB-CZ3 4.28Å; R376-W424 HydrophobicContact CG-CZ2 3.88Å; V379-W424 HydrophobicContact CB-CZ2 4.48Å; E380-W424 PolarHBondContact OE1-NE1 2.76Å; T420-W424 WeakPolarHBondContact O-CB 3.22Å; T420-W424 PolarHBondContact O-N 3.11Å; A421-W424 PolarHBondContact O-N 3.2Å; L422-W424 VanDerWaalsContact C-N 3.28Å; L422-W424 PolarHBondContact O-N 3.25Å; W424-L426 PolarHBondContact O-N 3.32Å; W424-A427 PolarHBondContact O-N 2.97Å; W424-F428 HydrophobicContact CE3-CB 4.34Å; W424-F428 HydrophobicContact CH2-CB 4.2Å; W424-F428 HydrophobicContact CH2-CD1 4.25Å; W424-F428 HydrophobicContact CH2-CD2 4.4Å; W424-F428 HydrophobicContact CH2-CG 4.02Å; W424-F428 HydrophobicContact CZ3-CB 4.11Å; W424-F428 HydrophobicContact CZ3-CD1 4.26Å; W424-F428 HydrophobicContact CZ3-CG 4.23Å; W424-F428 WeakPolarHBondContact O-CB 3.29Å; W424-F428 PolarHBondContact O-N 3.31Å; W424-M443 HydrophobicContact CB-CE 3.97Å; W424-M443 HydrophobicContact CB-SD 4.04Å; W424-M443 HydrophobicContact CG-SD 4.4Å
425L95.3Very high88.7Confident1 Ų138.6 Ų38.61%0.00522%0.223CC..Hα-helixtrans-59.1-47177.1-79.8174.8000112.7L368 I371 L375 F397 V407 A421 L422 F428 Y429L368-L425 WeakPolarHBondContact O-CD1 3.02Å; I371-L425 HydrophobicContact CG2-CD2 4.13Å; L375-L425 HydrophobicContact CD1-CD2 3.58Å; F397-L425 HydrophobicContact CE1-CD2 4.39Å; F397-L425 HydrophobicContact CZ-CD2 4.12Å; V407-L425 HydrophobicContact CG2-CB 4.3Å; V407-L425 HydrophobicContact CG2-CD1 3.78Å; A421-L425 PolarHBondContact O-N 3.39Å; L422-L425 HydrophobicContact CD2-CD1 4.35Å; L422-L425 PolarHBondContact O-N 3.47Å; L425-F428 PolarHBondContact O-N 3.47Å; L425-Y429 WeakPolarHBondContact O-CB 3.34Å; L425-Y429 PolarHBondContact O-N 3.48Å
426L94.5Very high89.7Confident0 Ų041.4 Ų41.40%022%0.215CC..Hα-helixtrans-65.3-46.5177.2-69.2-178.4000111A404 V407 A408 L411 L422 L423 W424 F428 Y429 Y430 L486 L490A404-L426 WeakPolarHBondContact O-CD2 3.36Å; V407-L426 HydrophobicContact CB-CD2 4.04Å; V407-L426 HydrophobicContact CB-CG 4.24Å; V407-L426 HydrophobicContact CG1-CD1 4.02Å; V407-L426 HydrophobicContact CG1-CD2 4.03Å; V407-L426 HydrophobicContact CG1-CG 3.65Å; A408-L426 HydrophobicContact CB-CD1 4.34Å; A408-L426 HydrophobicContact CB-CD2 4.41Å; L411-L426 HydrophobicContact CD1-CD1 3.44Å; L411-L426 VanDerWaalsContact CD1-CD1 3.44Å; L411-L426 HydrophobicContact CD1-CG 4.43Å; L422-L426 PolarHBondContact O-N 3.02Å; L422-L426 VanDerWaalsContact O-N 3.17Å; L423-L426 PolarHBondContact O-N 3.32Å; W424-L426 PolarHBondContact O-N 3.32Å; L426-F428 PolarHBondContact O-N 3.32Å; L426-Y429 PolarHBondContact O-N 2.79Å; L426-Y429 VanDerWaalsContact O-N 3.13Å; L426-Y430 HydrophobicContact CD2-CE2 4.35Å; L426-Y430 VanDerWaalsContact O-CD2 3.27Å; L426-Y430 WeakPolarHBondContact O-CD2 3.49Å; L426-Y430 PolarHBondContact O-N 3.33Å; L426-Y430 VanDerWaalsContact O-N 3.13Å; L426-L486 HydrophobicContact CB-CD1 3.83Å; L426-L486 HydrophobicContact CB-CD2 3.91Å; L426-L486 HydrophobicContact CD1-CD1 3.92Å; L426-L486 HydrophobicContact CD2-CD1 4.45Å; L426-L486 HydrophobicContact CG-CD1 4.28Å; L426-L490 HydrophobicContact CD1-CD2 4.23Å
427A94.2Very high90.4Very high1 Ų146 Ų461%0.00823%0.226CC..Hα-helixtrans-59.1-36.7177.700000112L423 W424 G431 R439 T442 M443L423-A427 WeakPolarHBondContact O-CB 3.17Å; L423-A427 PolarHBondContact O-N 2.89Å; W424-A427 PolarHBondContact O-N 2.97Å; A427-G431 WeakPolarHBondContact O-CA 3.29Å; A427-G431 PolarHBondContact O-N 3.47Å; A427-R439 HydrophobicContact CB-CG 3.63Å; A427-T442 HydrophobicContact CB-CG2 4.01Å; A427-M443 HydrophobicContact CB-CG 3.78Å
428F94.2Very high90.8Very high0 Ų044.5 Ų44.50%022%0.219CC..Hα-helixtrans-70.3-39.6174.6179.2-114.9000113.4L375 V379 W394 F397 W424 L425 L426 G431 P432L375-F428 HydrophobicContact CD1-CD1 4.42Å; L375-F428 HydrophobicContact CD1-CE1 4.42Å; L375-F428 HydrophobicContact CD2-CE1 4.06Å; V379-F428 HydrophobicContact CG1-CE2 4.1Å; V379-F428 HydrophobicContact CG2-CD2 4.48Å; V379-F428 HydrophobicContact CG2-CE1 4.39Å; V379-F428 HydrophobicContact CG2-CE2 3.65Å; V379-F428 HydrophobicContact CG2-CZ 3.58Å; W394-F428 HydrophobicContact CB-CE1 4.02Å; W394-F428 HydrophobicContact CB-CE2 4.27Å; W394-F428 HydrophobicContact CB-CZ 3.57Å; W394-F428 HydrophobicContact CG-CZ 4.46Å; F397-F428 HydrophobicContact CD1-CD1 4.27Å; F397-F428 HydrophobicContact CD1-CE1 4.49Å; W424-F428 HydrophobicContact CE3-CB 4.34Å; W424-F428 HydrophobicContact CH2-CB 4.2Å; W424-F428 HydrophobicContact CH2-CD1 4.25Å; W424-F428 HydrophobicContact CH2-CD2 4.4Å; W424-F428 HydrophobicContact CH2-CG 4.02Å; W424-F428 HydrophobicContact CZ3-CB 4.11Å; W424-F428 HydrophobicContact CZ3-CD1 4.26Å; W424-F428 HydrophobicContact CZ3-CG 4.23Å; W424-F428 WeakPolarHBondContact O-CB 3.29Å; W424-F428 PolarHBondContact O-N 3.31Å; L425-F428 PolarHBondContact O-N 3.47Å; L426-F428 PolarHBondContact O-N 3.32Å; F428-G431 CarbonylContact O-C 3.51Å; F428-P432 WeakPolarHBondContact O-CA 3.21Å
429Y93.7Very high91.2Very high30 Ų3044.3 Ų44.312%0.11822%0.216CC..Hα-helixtrans-61.6-47.9179.2-175.7-97.8000112.4Q316 W394 F397 I398 A404 L425 L426Q316-Y429 PolarHBondContact NE2-OH 2.95Å; Q316-Y429 VanDerWaalsContact NE2-OH 3.11Å; W394-Y429 PolarHBondContact NE1-O 3.41Å; F397-Y429 AromaticContact CD1-CD2 3.86Å; F397-Y429 HydrophobicContact CD1-CD2 3.86Å; F397-Y429 AromaticContact CE1-CD2 3.78Å; F397-Y429 HydrophobicContact CE1-CD2 3.78Å; F397-Y429 HydrophobicContact CE1-CG 4.33Å; I398-Y429 HydrophobicContact CG2-CD2 4.48Å; I398-Y429 HydrophobicContact CG2-CE2 4.03Å; A404-Y429 HydrophobicContact CB-CD1 4.21Å; A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE1 4.42Å; A404-Y429 HydrophobicContact CB-CE2 3.84Å; A404-Y429 HydrophobicContact CB-CG 3.79Å; L425-Y429 WeakPolarHBondContact O-CB 3.34Å; L425-Y429 PolarHBondContact O-N 3.48Å; L426-Y429 PolarHBondContact O-N 2.79Å; L426-Y429 VanDerWaalsContact O-N 3.13Å
430Y90.9Very high91.3Very high40 Ų4045.3 Ų45.316%0.15723%0.227CC..Hα-helixtrans-82-29.6-179.1-68.5-85.4000112.7L426 P432 P482 Q485 L486 H489L426-Y430 HydrophobicContact CD2-CE2 4.35Å; L426-Y430 VanDerWaalsContact O-CD2 3.27Å; L426-Y430 WeakPolarHBondContact O-CD2 3.49Å; L426-Y430 PolarHBondContact O-N 3.33Å; L426-Y430 VanDerWaalsContact O-N 3.13Å; Y430-P432 VanDerWaalsContact C-CD 3.45Å; Y430-P432 WeakPolarHBondContact O-CD 3.47Å; Y430-P482 VanDerWaalsContact O-CB 3.31Å; Y430-P482 WeakPolarHBondContact O-CB 3.31Å; Y430-Q485 HydrophobicContact CD1-CB 4.21Å; Y430-Q485 HydrophobicContact CD1-CG 3.99Å; Y430-Q485 HydrophobicContact CE1-CG 4.01Å; Y430-L486 HydrophobicContact CD1-CB 4.33Å; Y430-L486 HydrophobicContact CD2-CB 3.71Å; Y430-L486 HydrophobicContact CD2-CD1 3.68Å; Y430-L486 HydrophobicContact CD2-CD2 4.09Å; Y430-L486 HydrophobicContact CD2-CG 4.02Å; Y430-L486 HydrophobicContact CE2-CB 4.16Å; Y430-L486 HydrophobicContact CE2-CD1 3.52Å; Y430-L486 HydrophobicContact CE2-CG 4.31Å; Y430-L486 HydrophobicContact CG-CB 3.84Å; Y430-H489 AromaticContact CE1-CE1 3.78Å; Y430-H489 AromaticContact CE1-ND1 3.22Å; Y430-H489 WeakPolarHBondContact CE1-ND1 3.29Å; Y430-H489 AromaticContact CZ-ND1 3.33Å; Y430-H489 VanDerWaalsContact CZ-ND1 3.33Å; Y430-H489 PolarHBondContact OH-ND1 3.48Å
431G89.3Confident91.3Very high2 Ų246.7 Ų46.72%0.02123%0.227CC..  trans-122.667.2-178.500000112.6A427 F428 R433 D434A427-G431 WeakPolarHBondContact O-CA 3.29Å; A427-G431 PolarHBondContact O-N 3.47Å; F428-G431 CarbonylContact O-C 3.51Å; G431-R433 VanDerWaalsContact C-N 3.29Å; G431-R433 PolarHBondContact O-N 3.01Å; G431-D434 WeakPolarHBondContact O-CB 3.24Å; G431-D434 PolarHBondContact O-N 3.01Å
432P87.6Confident91.2Very high25 Ų2546.2 Ų46.216%0.16222%0.221CC..THydrogen-bonded Turntrans-66-31.6-176.824-34.1000113.9W394 F428 Y430 D434W394-P432 HydrophobicContact CB-CB 3.89Å; W394-P432 VanDerWaalsContact CD1-CB 3.46Å; W394-P432 HydrophobicContact CD2-CB 3.65Å; W394-P432 HydrophobicContact CD2-CG 3.88Å; W394-P432 HydrophobicContact CE3-CB 4.38Å; W394-P432 HydrophobicContact CE3-CG 4.47Å; W394-P432 HydrophobicContact CG-CB 3.39Å; W394-P432 HydrophobicContact CG-CG 4.12Å; W394-P432 HydrophobicContact CZ2-CG 4.03Å; F428-P432 WeakPolarHBondContact O-CA 3.21Å; Y430-P432 VanDerWaalsContact C-CD 3.45Å; Y430-P432 WeakPolarHBondContact O-CD 3.47Å; P432-D434 VanDerWaalsContact C-N 3.32Å
433R84.2Confident91.1Very high185 Ų18547.4 Ų47.470%0.69823%0.228SC*.THydrogen-bonded Turntrans-83.5-9.7179.9-62.5-177.4-178.31615.4112.7D306 G431 G435D306-R433 IonicContact OD1-CZ 3.01Å; D306-R433 IonicContact OD1-NH1 2.78Å; D306-R433 PolarHBondContact OD1-NH1 2.87Å; D306-R433 IonicContact OD1-NH2 3.27Å; G431-R433 VanDerWaalsContact C-N 3.29Å; G431-R433 PolarHBondContact O-N 3.01Å; R433-G435 PolarHBondContact O-N 3.37Å
434D86.2Confident91Very high30 Ų3052.2 Ų52.216%0.1626%0.257CS..  trans-63.6134.2-175.9-71.8-1.3000110.9G431 P432 Q438 R439G431-D434 WeakPolarHBondContact O-CB 3.24Å; G431-D434 PolarHBondContact O-N 3.01Å; P432-D434 VanDerWaalsContact C-N 3.32Å; D434-Q438 HydrophobicContact CB-CB 3.88Å; D434-R439 HydrophobicContact CB-CB 4.38Å; D434-R439 PolarHBondContact O-NH2 2.68Å
435G86Confident90.8Very high37 Ų3756.4 Ų56.438%0.38128%0.277SS..  trans-67.1168.4169.500000111.8R433 Q437 Q438 R439R433-G435 PolarHBondContact O-N 3.37Å; G435-Q437 PolarHBondContact O-N 3.39Å; G435-Q437 VanDerWaalsContact O-N 3.13Å; G435-Q438 PolarHBondContact O-N 3.35Å; G435-R439 WeakPolarHBondContact O-CB 3.23Å; G435-R439 PolarHBondContact O-N 3.47Å
436R87.8Confident90.5Very high148 Ų14856.4 Ų56.456%0.55828%0.277SS*.Hα-helixtrans-51.6-38.8176.5-175.6-177-80-179.2-0.7112.6E380 A440E380-R436 IonicContact OE2-CZ 3.81Å; E380-R436 IonicContact OE2-NE 3.44Å; E380-R436 PolarHBondContact OE2-NE 3.42Å; E380-R436 IonicContact OE2-NH2 3.13Å; E380-R436 PolarHBondContact OE2-NH2 2.92Å; R436-A440 WeakPolarHBondContact O-CB 3.39Å; R436-A440 PolarHBondContact O-N 3.23Å; R436-A440 VanDerWaalsContact O-N 3.09Å
437Q89.9Confident90.4Very high162 Ų16260.3 Ų60.376%0.75729%0.294SS*.Hα-helixtrans-70.7-47.6179.7-70.2-178-16.900112.9G435 A440 Q441G435-Q437 PolarHBondContact O-N 3.39Å; G435-Q437 VanDerWaalsContact O-N 3.13Å; Q437-A440 PolarHBondContact O-N 3.44Å; Q437-Q441 WeakPolarHBondContact O-CG 3.41Å; Q437-Q441 PolarHBondContact O-N 3.19Å
438Q89.9Confident90.2Very high104 Ų10462.7 Ų62.749%0.48631%0.313SS..Hα-helixtrans-62.4-45.3177.6-74.3167.2-34.500110.8D434 G435 A440 Q441 T442D434-Q438 HydrophobicContact CB-CB 3.88Å; G435-Q438 PolarHBondContact O-N 3.35Å; Q438-A440 VanDerWaalsContact C-N 3.31Å; Q438-A440 PolarHBondContact O-N 3.33Å; Q438-Q441 WeakPolarHBondContact O-CB 3.14Å; Q438-Q441 PolarHBondContact O-N 3.49Å; Q438-T442 PolarHBondContact O-N 3.46Å; Q438-T442 PolarHBondContact O-OG1 3.1Å
439R91.9Very high89.9Confident7 Ų763.1 Ų63.13%0.02632%0.316CS..Hα-helixtrans-58.6-42.7175.6-167.8179.9-62.9101.911.7111.9E380 A427 D434 G435 Q441 T442 M443E380-R439 IonicContact OE1-NH1 3.66Å; A427-R439 HydrophobicContact CB-CG 3.63Å; D434-R439 HydrophobicContact CB-CB 4.38Å; D434-R439 PolarHBondContact O-NH2 2.68Å; G435-R439 WeakPolarHBondContact O-CB 3.23Å; G435-R439 PolarHBondContact O-N 3.47Å; R439-Q441 VanDerWaalsContact C-N 3.33Å; R439-Q441 PolarHBondContact O-N 3.31Å; R439-T442 PolarHBondContact O-N 2.91Å; R439-M443 HydrophobicContact CG-SD 4.31Å; R439-M443 WeakPolarHBondContact O-CG 3.44Å; R439-M443 PolarHBondContact O-N 2.92Å
440A92.4Very high89.7Confident48 Ų4861.7 Ų61.740%0.39731%0.311SS..Hα-helixtrans-62.6-38.1175.600000112.5R436 Q437 Q438 M443 V444R436-A440 WeakPolarHBondContact O-CB 3.39Å; R436-A440 PolarHBondContact O-N 3.23Å; R436-A440 VanDerWaalsContact O-N 3.09Å; Q437-A440 PolarHBondContact O-N 3.44Å; Q438-A440 VanDerWaalsContact C-N 3.31Å; Q438-A440 PolarHBondContact O-N 3.33Å; A440-M443 PolarHBondContact O-N 3.35Å; A440-V444 WeakPolarHBondContact O-CG2 3.49Å; A440-V444 PolarHBondContact O-N 2.98Å
441Q91.7Very high89.5Confident122 Ų12261.6 Ų61.657%0.5732%0.322SS*.Hα-helixtrans-64.3-47.1174.1-69.3170.6-8.300111.4Q437 Q438 R439 M443 V444 Q445Q437-Q441 WeakPolarHBondContact O-CG 3.41Å; Q437-Q441 PolarHBondContact O-N 3.19Å; Q438-Q441 WeakPolarHBondContact O-CB 3.14Å; Q438-Q441 PolarHBondContact O-N 3.49Å; R439-Q441 VanDerWaalsContact C-N 3.33Å; R439-Q441 PolarHBondContact O-N 3.31Å; Q441-M443 VanDerWaalsContact C-N 3.31Å; Q441-M443 PolarHBondContact O-N 3.48Å; Q441-V444 PolarHBondContact O-N 3.04Å; Q441-V444 VanDerWaalsContact O-N 3.15Å; Q441-Q445 WeakPolarHBondContact O-CG 3.42Å; Q441-Q445 PolarHBondContact O-N 3.29Å
442T91.3Very high89.4Confident13 Ų1366.5 Ų66.58%0.0834%0.344CS..Hα-helixtrans-56.3-45.8174.4-590000110.9A427 Q438 R439 V444 Q445 V446 A483 L486A427-T442 HydrophobicContact CB-CG2 4.01Å; Q438-T442 PolarHBondContact O-N 3.46Å; Q438-T442 PolarHBondContact O-OG1 3.1Å; R439-T442 PolarHBondContact O-N 2.91Å; T442-V444 VanDerWaalsContact C-N 3.34Å; T442-V444 PolarHBondContact O-N 2.86Å; T442-Q445 PolarHBondContact O-N 3.29Å; T442-V446 HydrophobicContact CG2-CG2 4.14Å; T442-V446 WeakPolarHBondContact O-CB 3.34Å; T442-V446 WeakPolarHBondContact O-CG2 3.43Å; T442-V446 PolarHBondContact O-N 3.49Å; T442-A483 HydrophobicContact CG2-CB 4.01Å; T442-L486 HydrophobicContact CG2-CD2 4.33Å
443M93.5Very high89.4Confident28 Ų2865.3 Ų65.314%0.13834%0.336CS..Hα-helixtrans-60.5-40.1177.2-70.4167.965.900112.8T420 L423 W424 A427 R439 A440 Q441 K447T420-M443 HydrophobicContact CG2-CE 3.58Å; L423-M443 HydrophobicContact CB-CB 4.5Å; L423-M443 HydrophobicContact CB-CE 4.16Å; L423-M443 HydrophobicContact CB-CG 4.25Å; W424-M443 HydrophobicContact CB-CE 3.97Å; W424-M443 HydrophobicContact CB-SD 4.04Å; W424-M443 HydrophobicContact CG-SD 4.4Å; A427-M443 HydrophobicContact CB-CG 3.78Å; R439-M443 HydrophobicContact CG-SD 4.31Å; R439-M443 WeakPolarHBondContact O-CG 3.44Å; R439-M443 PolarHBondContact O-N 2.92Å; A440-M443 PolarHBondContact O-N 3.35Å; Q441-M443 VanDerWaalsContact C-N 3.31Å; Q441-M443 PolarHBondContact O-N 3.48Å; M443-K447 WeakPolarHBondContact O-CB 3.37Å; M443-K447 PolarHBondContact O-N 3.19Å
444V92Very high89.5Confident104 Ų10457.6 Ų57.663%0.6331%0.308SS*.Hα-helixtrans-65.9-45.7177.3170.10000111.1A440 Q441 T442 K447 A448A440-V444 WeakPolarHBondContact O-CG2 3.49Å; A440-V444 PolarHBondContact O-N 2.98Å; Q441-V444 PolarHBondContact O-N 3.04Å; Q441-V444 VanDerWaalsContact O-N 3.15Å; T442-V444 VanDerWaalsContact C-N 3.34Å; T442-V444 PolarHBondContact O-N 2.86Å; V444-K447 PolarHBondContact O-N 2.76Å; V444-A448 PolarHBondContact O-N 3.32Å
445Q90Very high89.5Confident98 Ų9858.8 Ų58.846%0.45832%0.323SS..Hα-helixtrans-60.6-49.6177.2-69.7176-1.300111.1Q441 T442 K447 A448 V449Q441-Q445 WeakPolarHBondContact O-CG 3.42Å; Q441-Q445 PolarHBondContact O-N 3.29Å; T442-Q445 PolarHBondContact O-N 3.29Å; Q445-K447 PolarHBondContact O-N 3.42Å; Q445-A448 WeakPolarHBondContact O-CB 3.35Å; Q445-A448 PolarHBondContact O-N 2.87Å; Q445-V449 WeakPolarHBondContact O-CG2 3.49Å; Q445-V449 PolarHBondContact O-N 3Å
446V90.2Very high89.4Confident1 Ų158.1 Ų58.11%0.00631%0.31CS..Hα-helixtrans-64-40179.9172.70000111.5L423 T442 A448 V449 L450 L486 L490L423-V446 HydrophobicContact CD2-CG1 3.91Å; T442-V446 HydrophobicContact CG2-CG2 4.14Å; T442-V446 WeakPolarHBondContact O-CB 3.34Å; T442-V446 WeakPolarHBondContact O-CG2 3.43Å; T442-V446 PolarHBondContact O-N 3.49Å; V446-A448 VanDerWaalsContact C-N 3.32Å; V446-A448 PolarHBondContact O-N 2.95Å; V446-V449 PolarHBondContact O-N 3.39Å; V446-L450 HydrophobicContact CG1-CD1 3.83Å; V446-L450 HydrophobicContact CG1-CG 4.37Å; V446-L450 WeakPolarHBondContact O-CB 3.49Å; V446-L450 WeakPolarHBondContact O-CG 3.47Å; V446-L450 PolarHBondContact O-N 3.44Å; V446-L486 HydrophobicContact CB-CD2 4.47Å; V446-L486 HydrophobicContact CG1-CD2 4.28Å; V446-L486 HydrophobicContact CG1-CG 4.49Å; V446-L486 HydrophobicContact CG2-CD2 3.49Å; V446-L486 VanDerWaalsContact CG2-CD2 3.49Å; V446-L486 HydrophobicContact CG2-CG 3.87Å; V446-L490 HydrophobicContact CG1-CD1 3.55Å
447K91.4Very high89Confident81 Ų8153.8 Ų53.835%0.35230%0.303SS..Hα-helixtrans-61.1-41.5174.8-175.4176.4-177.8-178.80111.7E417 P418 L423 M443 V444 Q445 G451E417-K447 WeakPolarHBondContact OE1-CE 3.37Å; E417-K447 IonicContact OE1-NZ 2.64Å; E417-K447 PolarHBondContact OE1-NZ 3.36Å; P418-K447 HydrophobicContact CG-CG 4.02Å; L423-K447 HydrophobicContact CD1-CB 3.91Å; L423-K447 HydrophobicContact CD1-CD 4.17Å; L423-K447 HydrophobicContact CD1-CG 4.12Å; M443-K447 WeakPolarHBondContact O-CB 3.37Å; M443-K447 PolarHBondContact O-N 3.19Å; V444-K447 PolarHBondContact O-N 2.76Å; Q445-K447 PolarHBondContact O-N 3.42Å; K447-G451 PolarHBondContact O-N 3.13Å
448A89.7Confident88.5Confident51 Ų5154.9 Ų54.942%0.42130%0.3SS..Hα-helixtrans-63-48.6175.900000110.8V444 Q445 V446 L450 G451 H452V444-A448 PolarHBondContact O-N 3.32Å; Q445-A448 WeakPolarHBondContact O-CB 3.35Å; Q445-A448 PolarHBondContact O-N 2.87Å; V446-A448 VanDerWaalsContact C-N 3.32Å; V446-A448 PolarHBondContact O-N 2.95Å; A448-L450 PolarHBondContact O-N 2.73Å; A448-G451 PolarHBondContact O-N 3.47Å; A448-H452 PolarHBondContact O-N 3.16Å; A448-H452 VanDerWaalsContact O-N 3.1Å; A448-H452 PolarHBondContact O-ND1 2.91Å
449V89Confident87.9Confident10 Ų1053 Ų536%0.06130%0.298CS..Hα-helixtrans-57.9-49.4176.9169.90000111.5Q445 V446 G451 H452 L453 V470 I487Q445-V449 WeakPolarHBondContact O-CG2 3.49Å; Q445-V449 PolarHBondContact O-N 3Å; V446-V449 PolarHBondContact O-N 3.39Å; V449-G451 VanDerWaalsContact C-N 3.31Å; V449-G451 PolarHBondContact O-N 2.97Å; V449-H452 WeakPolarHBondContact O-CB 3.49Å; V449-H452 PolarHBondContact O-N 3.25Å; V449-H452 VanDerWaalsContact O-N 3.12Å; V449-L453 HydrophobicContact CG1-CD1 3.99Å; V449-L453 HydrophobicContact CG1-CG 4.32Å; V449-L453 WeakPolarHBondContact O-CG 3.28Å; V449-L453 PolarHBondContact O-N 3.29Å; V449-V470 HydrophobicContact CB-CG1 4.45Å; V449-V470 HydrophobicContact CG1-CG1 3.96Å; V449-I487 HydrophobicContact CG1-CG2 4.28Å; V449-I487 HydrophobicContact CG2-CD1 4.09Å; V449-I487 HydrophobicContact CG2-CG1 4.12Å
450L88.7Confident86.8Confident0 Ų059 Ų590%034%0.341CS..Hα-helixtrans-59.3-40.8177-77.1166.9000112.4L411 L412 P418 L423 V446 A448 H452 L453 L454 L490L411-L450 HydrophobicContact CB-CD1 4.33Å; L411-L450 HydrophobicContact CB-CD2 4.33Å; L411-L450 HydrophobicContact CD1-CD1 3.97Å; L412-L450 HydrophobicContact CD2-CD2 3.9Å; L412-L450 HydrophobicContact CG-CD2 4.35Å; P418-L450 HydrophobicContact CB-CD1 4.44Å; L423-L450 HydrophobicContact CD2-CD1 3.52Å; V446-L450 HydrophobicContact CG1-CD1 3.83Å; V446-L450 HydrophobicContact CG1-CG 4.37Å; V446-L450 WeakPolarHBondContact O-CB 3.49Å; V446-L450 WeakPolarHBondContact O-CG 3.47Å; V446-L450 PolarHBondContact O-N 3.44Å; A448-L450 PolarHBondContact O-N 2.73Å; L450-H452 VanDerWaalsContact C-N 3.31Å; L450-H452 PolarHBondContact O-N 3.42Å; L450-L453 PolarHBondContact O-N 3.4Å; L450-L454 WeakPolarHBondContact O-CB 3.28Å; L450-L454 VanDerWaalsContact O-CG 3.26Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 3.21Å; L450-L490 HydrophobicContact CD1-CD1 4.31Å; L450-L490 HydrophobicContact CD2-CD1 4.07Å; L450-L490 HydrophobicContact CD2-CD2 4.07Å; L450-L490 HydrophobicContact CG-CD1 4.04Å
451G87.6Confident86Confident38 Ų3861.1 Ų61.139%0.39235%0.353SS..Hα-helixtrans-58.1-42.9174.900000112.4K447 A448 V449 A455K447-G451 PolarHBondContact O-N 3.13Å; A448-G451 PolarHBondContact O-N 3.47Å; V449-G451 VanDerWaalsContact C-N 3.31Å; V449-G451 PolarHBondContact O-N 2.97Å; G451-A455 WeakPolarHBondContact O-CB 3.09Å; G451-A455 PolarHBondContact O-N 2.89Å
452H86.9Confident85.5Confident104 Ų10456.5 Ų56.548%0.48133%0.332SS..Hα-helixtrans-66.2-46174.7-65.499.8000111.8A448 V449 L450 L454 A455 M456 V470A448-H452 PolarHBondContact O-N 3.16Å; A448-H452 VanDerWaalsContact O-N 3.1Å; A448-H452 PolarHBondContact O-ND1 2.91Å; V449-H452 WeakPolarHBondContact O-CB 3.49Å; V449-H452 PolarHBondContact O-N 3.25Å; V449-H452 VanDerWaalsContact O-N 3.12Å; L450-H452 VanDerWaalsContact C-N 3.31Å; L450-H452 PolarHBondContact O-N 3.42Å; H452-L454 VanDerWaalsContact C-N 3.35Å; H452-L454 PolarHBondContact O-N 2.9Å; H452-A455 PolarHBondContact O-N 3.46Å; H452-A455 VanDerWaalsContact O-N 3.17Å; H452-M456 VanDerWaalsContact O-CB 3.27Å; H452-M456 WeakPolarHBondContact O-CB 3.38Å; H452-M456 VanDerWaalsContact O-CG 3.26Å; H452-M456 WeakPolarHBondContact O-CG 3.48Å; H452-M456 PolarHBondContact O-N 3.44Å; H452-V470 HydrophobicContact CB-CB 4.47Å; H452-V470 HydrophobicContact CB-CG1 3.8Å; H452-V470 HydrophobicContact CB-CG2 3.76Å
453L88.1Confident85.2Confident0 Ų057.9 Ų57.90%034%0.342CS..Hα-helixtrans-60.4-41.8177.8-65.3177.4000112.4L412 V449 L450 A455 M456 S457 L467 V470 L491 F494L412-L453 HydrophobicContact CD2-CB 4.4Å; L412-L453 HydrophobicContact CD2-CD1 4.24Å; V449-L453 HydrophobicContact CG1-CD1 3.99Å; V449-L453 HydrophobicContact CG1-CG 4.32Å; V449-L453 WeakPolarHBondContact O-CG 3.28Å; V449-L453 PolarHBondContact O-N 3.29Å; L450-L453 PolarHBondContact O-N 3.4Å; L453-A455 VanDerWaalsContact C-N 3.35Å; L453-M456 PolarHBondContact O-N 2.95Å; L453-S457 PolarHBondContact O-N 2.89Å; L453-L467 HydrophobicContact CD2-CD2 3.43Å; L453-L467 VanDerWaalsContact CD2-CD2 3.43Å; L453-V470 HydrophobicContact CD2-CG1 4.35Å; L453-L491 HydrophobicContact CD1-CD2 4.26Å; L453-L491 HydrophobicContact CD2-CD2 3.73Å; L453-F494 HydrophobicContact CB-CD2 3.97Å; L453-F494 HydrophobicContact CB-CE2 4.29Å; L453-F494 HydrophobicContact CD1-CB 4.32Å; L453-F494 HydrophobicContact CD2-CB 4.48Å; L453-F494 HydrophobicContact CD2-CD1 4.28Å; L453-F494 HydrophobicContact CD2-CD2 4.26Å; L453-F494 HydrophobicContact CD2-CG 4.09Å; L453-F494 VanDerWaalsContact O-CE2 3.27Å; L453-F494 WeakPolarHBondContact O-CE2 3.48Å
454L85.4Confident84.7Confident23 Ų2357 Ų5712%0.1234%0.34CS..Hα-helixtrans-69.8-29.6176.8-70.2173.1000112.9L412 L450 H452 S457L412-L454 WeakPolarHBondContact O-CD2 3.31Å; L450-L454 WeakPolarHBondContact O-CB 3.28Å; L450-L454 VanDerWaalsContact O-CG 3.26Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 3.21Å; H452-L454 VanDerWaalsContact C-N 3.35Å; H452-L454 PolarHBondContact O-N 2.9Å; L454-S457 PolarHBondContact O-OG 2.64Å
455A85.3Confident84.2Confident56 Ų5658.9 Ų58.946%0.46334%0.341SS..Hα-helixtrans-72.9-40.5171.500000111.2G451 H452 L453 R458 S459G451-A455 WeakPolarHBondContact O-CB 3.09Å; G451-A455 PolarHBondContact O-N 2.89Å; H452-A455 PolarHBondContact O-N 3.46Å; H452-A455 VanDerWaalsContact O-N 3.17Å; L453-A455 VanDerWaalsContact C-N 3.35Å; A455-R458 PolarHBondContact O-N 3.41Å; A455-S459 PolarHBondContact O-OG 2.85Å
456M83.7Confident83.8Confident22 Ų2257.6 Ų57.611%0.10834%0.338CS..Hα-helixtrans-65.3-36.8177.9-81.5179.880.200112.7H452 L453 R458 S459 L462 D466 L467 V470 F494H452-M456 VanDerWaalsContact O-CB 3.27Å; H452-M456 WeakPolarHBondContact O-CB 3.38Å; H452-M456 VanDerWaalsContact O-CG 3.26Å; H452-M456 WeakPolarHBondContact O-CG 3.48Å; H452-M456 PolarHBondContact O-N 3.44Å; L453-M456 PolarHBondContact O-N 2.95Å; M456-R458 PolarHBondContact O-N 3.3Å; M456-R458 VanDerWaalsContact O-N 3.08Å; M456-S459 WeakPolarHBondContact O-CB 3.45Å; M456-S459 PolarHBondContact O-N 3.33Å; M456-L462 HydrophobicContact CB-CD2 3.63Å; M456-L462 HydrophobicContact CE-CD2 3.35Å; M456-L462 HydrophobicContact CG-CD2 4.08Å; M456-D466 HydrophobicContact CE-CB 3.44Å; M456-D466 VanDerWaalsContact CE-CB 3.44Å; M456-L467 HydrophobicContact CE-CD2 3.44Å; M456-L467 VanDerWaalsContact CE-CD2 3.44Å; M456-L467 HydrophobicContact CE-CG 3.77Å; M456-L467 HydrophobicContact SD-CD2 3.87Å; M456-V470 HydrophobicContact SD-CG2 3.85Å; M456-F494 HydrophobicContact CB-CZ 4.39Å
457S81Confident83.3Confident58 Ų5857.7 Ų57.741%0.40634%0.338SS..THydrogen-bonded Turntrans-60.3-20.3175.369.70000113.9L453 L454L453-S457 PolarHBondContact O-N 2.89Å; L454-S457 PolarHBondContact O-OG 2.64Å
458R78.3Confident82.6Confident185 Ų18557.1 Ų57.170%0.69834%0.337SS*.THydrogen-bonded Turntrans-93-10.7177.5-58.1175.6-176.4173.61.1113A415 A455 M456A415-R458 PolarHBondContact O-NH2 2.92Å; A455-R458 PolarHBondContact O-N 3.41Å; M456-R458 PolarHBondContact O-N 3.3Å; M456-R458 VanDerWaalsContact O-N 3.08Å
459S77Confident82.1Confident63 Ų6360 Ų6044%0.44135%0.349SS..  trans-84.3140.8-177.6-620000110.5A455 M456 S461A455-S459 PolarHBondContact O-OG 2.85Å; M456-S459 WeakPolarHBondContact O-CB 3.45Å; M456-S459 PolarHBondContact O-N 3.33Å; S459-S461 VanDerWaalsContact C-N 3.35Å
460S69.4Low81.5Confident134 Ų13460.5 Ų60.594%0.93735%0.352SS*.SBendtrans-78.7-18-17749.90000113.7
461S75.2Confident80.6Confident92 Ų9260.7 Ų60.764%0.64335%0.354SS*.  trans-127.7118.8177.957.50000109.6S459S459-S461 VanDerWaalsContact C-N 3.35Å
462L82.6Confident79.7Confident25 Ų2560.4 Ų60.413%0.13135%0.351CS..  trans-118.9129.9176.4-78.3155.5000107.9M456 F494 I504M456-L462 HydrophobicContact CB-CD2 3.63Å; M456-L462 HydrophobicContact CE-CD2 3.35Å; M456-L462 HydrophobicContact CG-CD2 4.08Å; L462-F494 HydrophobicContact CD1-CZ 4.37Å; L462-F494 HydrophobicContact CD2-CZ 4.44Å; L462-I504 HydrophobicContact CB-CD1 3.94Å; L462-I504 VanDerWaalsContact O-CG2 3.32Å; L462-I504 WeakPolarHBondContact O-CG2 3.46Å
463S84.3Confident78.2Confident42 Ų4257.7 Ų57.729%0.29434%0.338SS..  trans-115.3157.2172.379.60000111.3Q465 D466S463-Q465 PolarHBondContact O-N 3.2Å; S463-D466 WeakPolarHBondContact CB-OD2 3.42Å; S463-D466 PolarHBondContact N-OD2 3.48Å; S463-D466 PolarHBondContact O-N 3.39Å; S463-D466 PolarHBondContact OG-N 3.12Å; S463-D466 PolarHBondContact OG-OD1 3.01Å; S463-D466 PolarHBondContact OG-OD2 3.03Å
464A81.9Confident76.3Confident11 Ų1161.6 Ų61.69%0.09138%0.378CS..Hα-helixtrans-64.5-31.4176.800000112.6L467 Q468 D507 V508 L511A464-L467 PolarHBondContact O-N 3.13Å; A464-Q468 PolarHBondContact O-N 3.37Å; A464-Q468 VanDerWaalsContact O-N 3.1Å; A464-D507 HydrophobicContact CB-CB 3.74Å; A464-V508 HydrophobicContact CB-CG2 3.64Å; A464-L511 HydrophobicContact CB-CD1 3.78Å
465Q82.1Confident74.6Confident142 Ų14265.4 Ų65.466%0.66440%0.403SS*.Hα-helixtrans-65.7-39.5176.9-68.4-179.4-3.500111.5S463 L467 Q468 T469S463-Q465 PolarHBondContact O-N 3.2Å; Q465-L467 VanDerWaalsContact C-N 3.28Å; Q465-L467 PolarHBondContact O-N 3.42Å; Q465-Q468 PolarHBondContact O-N 2.98Å; Q465-T469 WeakPolarHBondContact O-CG2 3.29Å; Q465-T469 PolarHBondContact O-N 3.34Å; Q465-T469 VanDerWaalsContact O-N 3.07Å
466D81Confident73Confident72 Ų7271.7 Ų71.739%0.38543%0.429SS..Hα-helixtrans-58.5-43.5176.6-58-42.7000110.6M456 S463 T469 V470M456-D466 HydrophobicContact CE-CB 3.44Å; M456-D466 VanDerWaalsContact CE-CB 3.44Å; S463-D466 WeakPolarHBondContact CB-OD2 3.42Å; S463-D466 PolarHBondContact N-OD2 3.48Å; S463-D466 PolarHBondContact O-N 3.39Å; S463-D466 PolarHBondContact OG-N 3.12Å; S463-D466 PolarHBondContact OG-OD1 3.01Å; S463-D466 PolarHBondContact OG-OD2 3.03Å; D466-T469 PolarHBondContact O-N 2.92Å; D466-T469 PolarHBondContact O-OG1 3.39Å; D466-V470 WeakPolarHBondContact O-CG2 3.45Å; D466-V470 PolarHBondContact O-N 2.97Å
467L80.9Confident71.9Confident2 Ų273.3 Ų73.31%0.0144%0.44CS..Hα-helixtrans-70.1-34.3178.7-72-179000113.5L453 M456 A464 Q465 T469 V470 A471 L491 F494 L495 I504 V508L453-L467 HydrophobicContact CD2-CD2 3.43Å; L453-L467 VanDerWaalsContact CD2-CD2 3.43Å; M456-L467 HydrophobicContact CE-CD2 3.44Å; M456-L467 VanDerWaalsContact CE-CD2 3.44Å; M456-L467 HydrophobicContact CE-CG 3.77Å; M456-L467 HydrophobicContact SD-CD2 3.87Å; A464-L467 PolarHBondContact O-N 3.13Å; Q465-L467 VanDerWaalsContact C-N 3.28Å; Q465-L467 PolarHBondContact O-N 3.42Å; L467-T469 VanDerWaalsContact C-N 3.32Å; L467-T469 PolarHBondContact O-N 3.41Å; L467-V470 PolarHBondContact O-N 3.46Å; L467-A471 WeakPolarHBondContact O-CB 3.24Å; L467-A471 PolarHBondContact O-N 3.43Å; L467-L491 HydrophobicContact CD2-CD2 4.14Å; L467-F494 HydrophobicContact CD1-CD1 4.21Å; L467-F494 HydrophobicContact CD1-CE1 4.11Å; L467-F494 HydrophobicContact CD2-CD1 4.35Å; L467-F494 HydrophobicContact CD2-CE1 4.15Å; L467-L495 HydrophobicContact CD1-CD2 3.85Å; L467-I504 HydrophobicContact CD1-CD1 3.54Å; L467-I504 HydrophobicContact CD1-CG1 4.47Å; L467-I504 HydrophobicContact CG-CD1 4.25Å; L467-V508 HydrophobicContact CB-CG2 4.48Å; L467-V508 HydrophobicContact CD1-CG1 4.46Å; L467-V508 HydrophobicContact CD1-CG2 3.88Å
468Q77.4Confident71.3Confident69 Ų6975.7 Ų75.732%0.32245%0.448SS..Hα-helixtrans-62.5-40173-76.3-169.3-40.400112.2A464 Q465 V470 A471 G472 L511A464-Q468 PolarHBondContact O-N 3.37Å; A464-Q468 VanDerWaalsContact O-N 3.1Å; Q465-Q468 PolarHBondContact O-N 2.98Å; Q468-V470 VanDerWaalsContact C-N 3.32Å; Q468-V470 PolarHBondContact O-N 3.37Å; Q468-A471 PolarHBondContact O-N 3.06Å; Q468-G472 PolarHBondContact O-N 2.85Å; Q468-L511 HydrophobicContact CG-CD1 4.35Å
469T77.6Confident70.7Confident112 Ų11270.2 Ų70.269%0.68743%0.432SS*.Hα-helixtrans-64.5-39.3177.164.80000111.7Q465 D466 L467 G472Q465-T469 WeakPolarHBondContact O-CG2 3.29Å; Q465-T469 PolarHBondContact O-N 3.34Å; Q465-T469 VanDerWaalsContact O-N 3.07Å; D466-T469 PolarHBondContact O-N 2.92Å; D466-T469 PolarHBondContact O-OG1 3.39Å; L467-T469 VanDerWaalsContact C-N 3.32Å; L467-T469 PolarHBondContact O-N 3.41Å; T469-G472 PolarHBondContact O-N 3.04Å
470V77.1Confident70.2Confident21 Ų2175.2 Ų75.213%0.12744%0.441CS..Hα-helixtrans-67-37.1176.11720000111.8V449 H452 L453 M456 D466 L467 Q468 G472V449-V470 HydrophobicContact CB-CG1 4.45Å; V449-V470 HydrophobicContact CG1-CG1 3.96Å; H452-V470 HydrophobicContact CB-CB 4.47Å; H452-V470 HydrophobicContact CB-CG1 3.8Å; H452-V470 HydrophobicContact CB-CG2 3.76Å; L453-V470 HydrophobicContact CD2-CG1 4.35Å; M456-V470 HydrophobicContact SD-CG2 3.85Å; D466-V470 WeakPolarHBondContact O-CG2 3.45Å; D466-V470 PolarHBondContact O-N 2.97Å; L467-V470 PolarHBondContact O-N 3.46Å; Q468-V470 VanDerWaalsContact C-N 3.32Å; Q468-V470 PolarHBondContact O-N 3.37Å; V470-G472 PolarHBondContact O-N 3.08Å
471A70.3Confident70.8Confident3 Ų370 Ų703%0.02541%0.407CS..Hα-helixtrans-67.4-17.8179.100000113.5L467 Q468 Q473 I487 L491L467-A471 WeakPolarHBondContact O-CB 3.24Å; L467-A471 PolarHBondContact O-N 3.43Å; Q468-A471 PolarHBondContact O-N 3.06Å; A471-Q473 HydrophobicContact CB-CB 4.42Å; A471-Q473 HydrophobicContact CB-CG 3.76Å; A471-Q473 PolarHBondContact O-N 3.31Å; A471-I487 HydrophobicContact CB-CG2 4.34Å; A471-L491 HydrophobicContact CB-CD1 3.51Å
472G68.1Low71Confident32 Ų3267.7 Ų67.733%0.3339%0.389SS..THydrogen-bonded Turntrans64.317-176.700000113.9Q468 T469 V470 G474 T475Q468-G472 PolarHBondContact O-N 2.85Å; T469-G472 PolarHBondContact O-N 3.04Å; V470-G472 PolarHBondContact O-N 3.08Å; G472-G474 PolarHBondContact O-N 3.43Å; G472-T475 PolarHBondContact O-OG1 3.47Å
473Q56.2Low71.1Confident47 Ų4767 Ų6722%0.2239%0.388CS..THydrogen-bonded Turntrans-715.8-174.6-72.4-179.57.100114.1A471A471-Q473 HydrophobicContact CB-CB 4.42Å; A471-Q473 HydrophobicContact CB-CG 3.76Å; A471-Q473 PolarHBondContact O-N 3.31Å
474G47.7Very low71.3Confident82 Ų8265.9 Ų65.985%0.84538%0.378SS*.THydrogen-bonded Turntrans-92.9-4.9179.800000115.4G472G472-G474 PolarHBondContact O-N 3.43Å
475T49.6Very low71.6Confident103 Ų10367.1 Ų67.163%0.63238%0.381SS*.SBendtrans-103.7148.3175.2420000110.8G472 T477G472-T475 PolarHBondContact O-OG1 3.47Å; T475-T477 VanDerWaalsContact C-OG1 3.26Å; T475-T477 PolarHBondContact O-N 2.95Å; T475-T477 PolarHBondContact O-OG1 3.13Å; T475-T477 PolarHBondContact OG1-OG1 3.33Å
476D50.9Low72Confident188 Ų18860.4 Ų60.4100%1.00535%0.35SS*.  trans-61.754.6-179.7-145.713.2000112.4
477T60.8Low72.4Confident57 Ų5757.3 Ų57.335%0.3533%0.333SS..  trans-99.9133.7-169.2-23.50000106.7T475 L479T475-T477 VanDerWaalsContact C-OG1 3.26Å; T475-T477 PolarHBondContact O-N 2.95Å; T475-T477 PolarHBondContact O-OG1 3.13Å; T475-T477 PolarHBondContact OG1-OG1 3.33Å; T477-L479 PolarHBondContact O-N 2.65Å
478D69.3Low72.9Confident108 Ų10857.5 Ų57.558%0.57833%0.334SS*.  trans-51.7110.8176.4-177-2000110R480 A481D478-R480 PolarHBondContact O-N 3.32Å; D478-R480 VanDerWaalsContact O-N 3.11Å; D478-R480 WeakPolarHBondContact OD1-CB 3.35Å; D478-R480 PolarHBondContact OD1-N 3.02Å; D478-A481 HydrophobicContact CB-CB 4.34Å; D478-A481 WeakPolarHBondContact O-CB 3.42Å; D478-A481 PolarHBondContact O-N 3.09Å
479L65.2Low73.5Confident69 Ų6955 Ų5536%0.36132%0.323SS..THydrogen-bonded Turntrans-61.6-20.8-177-68.9171.4000111.6T477 R488 I518T477-L479 PolarHBondContact O-N 2.65Å; L479-R488 PolarHBondContact O-NH1 3.1Å; L479-R488 PolarHBondContact O-NH2 2.79Å; L479-I518 HydrophobicContact CD1-CD1 4.34Å
480R67.3Low74.2Confident168 Ų16849.7 Ų49.763%0.63429%0.29SS*.THydrogen-bonded Turntrans-92.20.2177-62.4-171.9-175.5174.43.7113.6D478 E517D478-R480 PolarHBondContact O-N 3.32Å; D478-R480 VanDerWaalsContact O-N 3.11Å; D478-R480 WeakPolarHBondContact OD1-CB 3.35Å; D478-R480 PolarHBondContact OD1-N 3.02Å; R480-E517 IonicContact CZ-OE2 3.54Å; R480-E517 IonicContact NE-OE2 2.89Å; R480-E517 PolarHBondContact NE-OE2 3.29Å; R480-E517 IonicContact NH2-OE1 2.68Å; R480-E517 PolarHBondContact NH2-OE1 3.09Å; R480-E517 IonicContact NH2-OE2 2.83Å; R480-E517 PolarHBondContact NH2-OE2 2.82Å
481A80.9Confident74.8Confident26 Ų2648.8 Ų48.822%0.21528%0.284CS..  trans-58.6133.4175.200000110.2D478 A483 Q484 Q485D478-A481 HydrophobicContact CB-CB 4.34Å; D478-A481 WeakPolarHBondContact O-CB 3.42Å; D478-A481 PolarHBondContact O-N 3.09Å; A481-A483 PolarHBondContact O-N 3.44Å; A481-Q484 HydrophobicContact CB-CG 4.31Å; A481-Q484 WeakPolarHBondContact O-CB 3.36Å; A481-Q484 PolarHBondContact O-N 2.94Å; A481-Q485 PolarHBondContact O-N 3.1Å
482P80.5Confident75.9Confident42 Ų4248.8 Ų48.827%0.27328%0.284SS..Hα-helixtrans-47.2-40.3179.1-36.539.3000114.9Y430 Q484 Q485 L486Y430-P482 VanDerWaalsContact O-CB 3.31Å; Y430-P482 WeakPolarHBondContact O-CB 3.31Å; P482-Q484 PolarHBondContact O-N 3.35Å; P482-Q485 PolarHBondContact O-N 3.17Å; P482-L486 WeakPolarHBondContact O-CB 3.48Å; P482-L486 PolarHBondContact O-N 3.03Å
483A85.1Confident76.9Confident11 Ų1147.5 Ų47.59%0.09127%0.269CS..Hα-helixtrans-63.3-40.217800000112.3T442 A481 L486 I487T442-A483 HydrophobicContact CG2-CB 4.01Å; A481-A483 PolarHBondContact O-N 3.44Å; A483-L486 PolarHBondContact O-N 2.7Å; A483-I487 WeakPolarHBondContact O-CB 3.45Å; A483-I487 WeakPolarHBondContact O-CD1 3.39Å; A483-I487 WeakPolarHBondContact O-CG1 3.48Å; A483-I487 PolarHBondContact O-N 3.22Å
484Q87Confident78.5Confident19 Ų1945.5 Ų45.59%0.08926%0.26CS..Hα-helixtrans-70.3-40.8-179.9-70.6-61.2-27.900111.7A481 P482 I487 R488A481-Q484 HydrophobicContact CB-CG 4.31Å; A481-Q484 WeakPolarHBondContact O-CB 3.36Å; A481-Q484 PolarHBondContact O-N 2.94Å; P482-Q484 PolarHBondContact O-N 3.35Å; Q484-I487 PolarHBondContact O-N 3.04Å; Q484-R488 WeakPolarHBondContact O-CG 3.48Å; Q484-R488 PolarHBondContact O-N 3.45Å
485Q87.8Confident80.6Confident36 Ų3641.7 Ų41.717%0.16822%0.22CC..Hα-helixtrans-62.5-45.6174.2-169.2-179.35.100111.8Y430 A481 P482 I487 R488 H489Y430-Q485 HydrophobicContact CD1-CB 4.21Å; Y430-Q485 HydrophobicContact CD1-CG 3.99Å; Y430-Q485 HydrophobicContact CE1-CG 4.01Å; A481-Q485 PolarHBondContact O-N 3.1Å; P482-Q485 PolarHBondContact O-N 3.17Å; Q485-I487 PolarHBondContact O-N 3.24Å; Q485-R488 PolarHBondContact O-N 3.04Å; Q485-H489 PolarHBondContact O-N 3.05Å
486L90.6Very high82.4Confident2 Ų236.9 Ų36.91%0.0119%0.191CC..Hα-helixtrans-59.2-45.1174.5172.451.6000111.8L426 Y430 T442 V446 P482 A483 R488 H489 L490L426-L486 HydrophobicContact CB-CD1 3.83Å; L426-L486 HydrophobicContact CB-CD2 3.91Å; L426-L486 HydrophobicContact CD1-CD1 3.92Å; L426-L486 HydrophobicContact CD2-CD1 4.45Å; L426-L486 HydrophobicContact CG-CD1 4.28Å; Y430-L486 HydrophobicContact CD1-CB 4.33Å; Y430-L486 HydrophobicContact CD2-CB 3.71Å; Y430-L486 HydrophobicContact CD2-CD1 3.68Å; Y430-L486 HydrophobicContact CD2-CD2 4.09Å; Y430-L486 HydrophobicContact CD2-CG 4.02Å; Y430-L486 HydrophobicContact CE2-CB 4.16Å; Y430-L486 HydrophobicContact CE2-CD1 3.52Å; Y430-L486 HydrophobicContact CE2-CG 4.31Å; Y430-L486 HydrophobicContact CG-CB 3.84Å; T442-L486 HydrophobicContact CG2-CD2 4.33Å; V446-L486 HydrophobicContact CB-CD2 4.47Å; V446-L486 HydrophobicContact CG1-CD2 4.28Å; V446-L486 HydrophobicContact CG1-CG 4.49Å; V446-L486 HydrophobicContact CG2-CD2 3.49Å; V446-L486 VanDerWaalsContact CG2-CD2 3.49Å; V446-L486 HydrophobicContact CG2-CG 3.87Å; P482-L486 WeakPolarHBondContact O-CB 3.48Å; P482-L486 PolarHBondContact O-N 3.03Å; A483-L486 PolarHBondContact O-N 2.7Å; L486-R488 PolarHBondContact O-N 2.92Å; L486-H489 PolarHBondContact O-N 3.24Å; L486-L490 HydrophobicContact CD1-CD1 3.99Å; L486-L490 HydrophobicContact CD1-CG 4.01Å; L486-L490 HydrophobicContact CG-CD1 4.28Å; L486-L490 WeakPolarHBondContact O-CG 3.46Å; L486-L490 PolarHBondContact O-N 2.89Å
487I90.4Very high84Confident6 Ų630.4 Ų30.43%0.03115%0.152CC..Hα-helixtrans-59.6-46.2176.3-72.5164.9000110.7V449 A471 A483 Q484 Q485 H489 L490 L491V449-I487 HydrophobicContact CG1-CG2 4.28Å; V449-I487 HydrophobicContact CG2-CD1 4.09Å; V449-I487 HydrophobicContact CG2-CG1 4.12Å; A471-I487 HydrophobicContact CB-CG2 4.34Å; A483-I487 WeakPolarHBondContact O-CB 3.45Å; A483-I487 WeakPolarHBondContact O-CD1 3.39Å; A483-I487 WeakPolarHBondContact O-CG1 3.48Å; A483-I487 PolarHBondContact O-N 3.22Å; Q484-I487 PolarHBondContact O-N 3.04Å; Q485-I487 PolarHBondContact O-N 3.24Å; I487-H489 PolarHBondContact O-N 2.85Å; I487-L490 PolarHBondContact O-N 2.88Å; I487-L491 HydrophobicContact CG2-CD1 4.07Å; I487-L491 HydrophobicContact CG2-CG 4.48Å; I487-L491 VanDerWaalsContact O-CG 3.31Å; I487-L491 WeakPolarHBondContact O-CG 3.46Å; I487-L491 PolarHBondContact O-N 3.08Å
488R90.2Very high85.1Confident7 Ų728.2 Ų28.23%0.02614%0.14CC..Hα-helixtrans-58.5-47.8176.3-73.6-171.5-60.4-92.99.9112.1L479 Q484 Q485 L486 L490 L491 L492 M512 E521L479-R488 PolarHBondContact O-NH1 3.1Å; L479-R488 PolarHBondContact O-NH2 2.79Å; Q484-R488 WeakPolarHBondContact O-CG 3.48Å; Q484-R488 PolarHBondContact O-N 3.45Å; Q485-R488 PolarHBondContact O-N 3.04Å; L486-R488 PolarHBondContact O-N 2.92Å; R488-L490 VanDerWaalsContact C-N 3.3Å; R488-L490 PolarHBondContact O-N 3.07Å; R488-L491 WeakPolarHBondContact O-CB 3.5Å; R488-L491 PolarHBondContact O-N 3.18Å; R488-L491 VanDerWaalsContact O-N 3.15Å; R488-L492 WeakPolarHBondContact O-CG 3.18Å; R488-L492 PolarHBondContact O-N 3.38Å; R488-M512 HydrophobicContact CB-CE 3.93Å; R488-M512 HydrophobicContact CG-CE 3.87Å; R488-E521 IonicContact CZ-OE1 2.64Å; R488-E521 IonicContact CZ-OE2 3.97Å; R488-E521 IonicContact NE-OE1 3.78Å; R488-E521 PolarHBondContact NE-OE1 3.02Å; R488-E521 IonicContact NE-OE2 3.48Å; R488-E521 PolarHBondContact NE-OE2 3.25Å; R488-E521 IonicContact NH2-OE1 2.63Å; R488-E521 PolarHBondContact NH2-OE1 3.32Å; R488-E521 IonicContact NH2-OE2 3.49Å; R488-E521 PolarHBondContact NH2-OE2 3.09Å
489H91.2Very high85.6Confident17 Ų1728 Ų288%0.07914%0.144CC..Hα-helixtrans-64.9-32.4178.1-71.2174.1000113.2Y430 Q485 L486 I487 N493 E521 F525Y430-H489 AromaticContact CE1-CE1 3.78Å; Y430-H489 AromaticContact CE1-ND1 3.22Å; Y430-H489 WeakPolarHBondContact CE1-ND1 3.29Å; Y430-H489 AromaticContact CZ-ND1 3.33Å; Y430-H489 VanDerWaalsContact CZ-ND1 3.33Å; Y430-H489 PolarHBondContact OH-ND1 3.48Å; Q485-H489 PolarHBondContact O-N 3.05Å; L486-H489 PolarHBondContact O-N 3.24Å; I487-H489 PolarHBondContact O-N 2.85Å; H489-N493 WeakPolarHBondContact O-CB 3.42Å; H489-N493 PolarHBondContact O-N 3.42Å; H489-N493 PolarHBondContact O-ND2 3.22Å; H489-E521 IonicContact CD2-OE1 2.89Å; H489-E521 IonicContact NE2-OE1 3.72Å; H489-F525 HydrophobicContact CB-CD2 4.29Å; H489-F525 HydrophobicContact CB-CE2 4.27Å; H489-F525 AromaticContact CD2-CD2 3.79Å
490L91.4Very high86.4Confident0 Ų025.9 Ų25.90%014%0.139CC..Hα-helixtrans-68.3-39.2172-72.2174.3000112.1A408 L426 V446 L450 L486 I487 R488 N493 F494A408-L490 HydrophobicContact CB-CD2 4.06Å; L426-L490 HydrophobicContact CD1-CD2 4.23Å; V446-L490 HydrophobicContact CG1-CD1 3.55Å; L450-L490 HydrophobicContact CD1-CD1 4.31Å; L450-L490 HydrophobicContact CD2-CD1 4.07Å; L450-L490 HydrophobicContact CD2-CD2 4.07Å; L450-L490 HydrophobicContact CG-CD1 4.04Å; L486-L490 HydrophobicContact CD1-CD1 3.99Å; L486-L490 HydrophobicContact CD1-CG 4.01Å; L486-L490 HydrophobicContact CG-CD1 4.28Å; L486-L490 WeakPolarHBondContact O-CG 3.46Å; L486-L490 PolarHBondContact O-N 2.89Å; I487-L490 PolarHBondContact O-N 2.88Å; R488-L490 VanDerWaalsContact C-N 3.3Å; R488-L490 PolarHBondContact O-N 3.07Å; L490-N493 PolarHBondContact O-N 3.27Å; L490-F494 WeakPolarHBondContact O-CB 3.4Å; L490-F494 PolarHBondContact O-N 2.88Å
491L91.2Very high87.2Confident2 Ų217.9 Ų17.91%0.0111%0.109CC..Hα-helixtrans-62.2-47.5173.1-67.3167.3000110.9L453 L467 A471 I487 R488 N493 F494 L495L453-L491 HydrophobicContact CD1-CD2 4.26Å; L453-L491 HydrophobicContact CD2-CD2 3.73Å; L467-L491 HydrophobicContact CD2-CD2 4.14Å; A471-L491 HydrophobicContact CB-CD1 3.51Å; I487-L491 HydrophobicContact CG2-CD1 4.07Å; I487-L491 HydrophobicContact CG2-CG 4.48Å; I487-L491 VanDerWaalsContact O-CG 3.31Å; I487-L491 WeakPolarHBondContact O-CG 3.46Å; I487-L491 PolarHBondContact O-N 3.08Å; R488-L491 WeakPolarHBondContact O-CB 3.5Å; R488-L491 PolarHBondContact O-N 3.18Å; R488-L491 VanDerWaalsContact O-N 3.15Å; L491-N493 VanDerWaalsContact C-N 3.34Å; L491-N493 PolarHBondContact O-N 3.43Å; L491-F494 WeakPolarHBondContact O-CA 3.26Å; L491-F494 WeakPolarHBondContact O-CB 3.47Å; L491-F494 PolarHBondContact O-N 2.76Å; L491-F494 VanDerWaalsContact O-N 3.08Å; L491-L495 WeakPolarHBondContact O-CG 3.4Å; L491-L495 PolarHBondContact O-N 3.14Å
492L91.9Very high87.5Confident3 Ų318.7 Ų18.72%0.01611%0.108CC..Hα-helixtrans-61-42.8178.2-65.5172.2000111.7R488 F494 L495 L496 I509 M512 I522 F525R488-L492 WeakPolarHBondContact O-CG 3.18Å; R488-L492 PolarHBondContact O-N 3.38Å; L492-F494 VanDerWaalsContact C-N 3.34Å; L492-F494 PolarHBondContact O-N 2.96Å; L492-L495 HydrophobicContact CD2-CD1 4.44Å; L492-L495 PolarHBondContact O-N 3.16Å; L492-L496 WeakPolarHBondContact O-CG 3.22Å; L492-L496 PolarHBondContact O-N 3.36Å; L492-L496 VanDerWaalsContact O-N 3.1Å; L492-I509 HydrophobicContact CD2-CD1 4.31Å; L492-I509 HydrophobicContact CD2-CG1 4.08Å; L492-M512 HydrophobicContact CD2-CE 4.23Å; L492-M512 HydrophobicContact CG-CE 4.3Å; L492-I522 HydrophobicContact CD1-CB 4.5Å; L492-I522 HydrophobicContact CD1-CG1 4.1Å; L492-I522 HydrophobicContact CD1-CG2 4.39Å; L492-I522 HydrophobicContact CD2-CG1 4.35Å; L492-I522 HydrophobicContact CD2-CG2 4.06Å; L492-F525 HydrophobicContact CB-CD1 3.63Å; L492-F525 HydrophobicContact CB-CE1 3.34Å; L492-F525 HydrophobicContact CB-CE2 4.25Å; L492-F525 HydrophobicContact CB-CG 4.23Å; L492-F525 HydrophobicContact CB-CZ 3.68Å; L492-F525 HydrophobicContact CD1-CB 3.91Å; L492-F525 HydrophobicContact CD1-CD1 3.58Å; L492-F525 HydrophobicContact CD1-CD2 4.2Å; L492-F525 HydrophobicContact CD1-CE1 4.2Å; L492-F525 HydrophobicContact CD1-CG 3.6Å; L492-F525 HydrophobicContact CG-CD1 4.18Å; L492-F525 HydrophobicContact CG-CE1 4.36Å
493N90.2Very high87.7Confident5 Ų522 Ų223%0.02713%0.128CC..Hα-helixtrans-61-42.9172.4-84-69.9000111.8L412 H489 L490 L491 L495 L496 W497 F525L412-N493 HydrophobicContact CD1-CB 3.32Å; H489-N493 WeakPolarHBondContact O-CB 3.42Å; H489-N493 PolarHBondContact O-N 3.42Å; H489-N493 PolarHBondContact O-ND2 3.22Å; L490-N493 PolarHBondContact O-N 3.27Å; L491-N493 VanDerWaalsContact C-N 3.34Å; L491-N493 PolarHBondContact O-N 3.43Å; N493-L495 VanDerWaalsContact C-N 3.33Å; N493-L495 PolarHBondContact O-N 3.44Å; N493-L496 PolarHBondContact O-N 3.18Å; N493-W497 WeakPolarHBondContact O-CB 3.39Å; N493-W497 PolarHBondContact O-N 3.24Å; N493-F525 HydrophobicContact CB-CZ 4.39Å; N493-F525 WeakPolarHBondContact ND2-CE2 3.45Å; N493-F525 WeakPolarHBondContact ND2-CZ 3.39Å
494F90.3Very high87.9Confident5 Ų522 Ų222%0.02213%0.126CC..Hα-helixtrans-59.6-44.2176.3174-91.2000111.6L412 L453 M456 L462 L467 L490 L491 L492 L496 W497 A498L412-F494 HydrophobicContact CD1-CB 4.38Å; L412-F494 HydrophobicContact CD2-CB 4.21Å; L412-F494 HydrophobicContact CD2-CD2 4.37Å; L453-F494 HydrophobicContact CB-CD2 3.97Å; L453-F494 HydrophobicContact CB-CE2 4.29Å; L453-F494 HydrophobicContact CD1-CB 4.32Å; L453-F494 HydrophobicContact CD2-CB 4.48Å; L453-F494 HydrophobicContact CD2-CD1 4.28Å; L453-F494 HydrophobicContact CD2-CD2 4.26Å; L453-F494 HydrophobicContact CD2-CG 4.09Å; L453-F494 VanDerWaalsContact O-CE2 3.27Å; L453-F494 WeakPolarHBondContact O-CE2 3.48Å; M456-F494 HydrophobicContact CB-CZ 4.39Å; L462-F494 HydrophobicContact CD1-CZ 4.37Å; L462-F494 HydrophobicContact CD2-CZ 4.44Å; L467-F494 HydrophobicContact CD1-CD1 4.21Å; L467-F494 HydrophobicContact CD1-CE1 4.11Å; L467-F494 HydrophobicContact CD2-CD1 4.35Å; L467-F494 HydrophobicContact CD2-CE1 4.15Å; L490-F494 WeakPolarHBondContact O-CB 3.4Å; L490-F494 PolarHBondContact O-N 2.88Å; L491-F494 WeakPolarHBondContact O-CA 3.26Å; L491-F494 WeakPolarHBondContact O-CB 3.47Å; L491-F494 PolarHBondContact O-N 2.76Å; L491-F494 VanDerWaalsContact O-N 3.08Å; L492-F494 VanDerWaalsContact C-N 3.34Å; L492-F494 PolarHBondContact O-N 2.96Å; F494-L496 PolarHBondContact O-N 3.37Å; F494-W497 PolarHBondContact O-N 3.46Å; F494-A498 HydrophobicContact CD1-CB 4.44Å; F494-A498 HydrophobicContact CD2-CB 3.79Å; F494-A498 HydrophobicContact CE1-CB 4.23Å; F494-A498 HydrophobicContact CE2-CB 3.58Å; F494-A498 HydrophobicContact CG-CB 4.24Å; F494-A498 HydrophobicContact CZ-CB 3.81Å; F494-A498 VanDerWaalsContact O-CB 3.25Å; F494-A498 WeakPolarHBondContact O-CB 3.28Å; F494-A498 PolarHBondContact O-N 3.26Å
495L90.5Very high88Confident2 Ų221.1 Ų21.11%0.0112%0.122CC..Hα-helixtrans-60-35.1177-67178.5000112.4L467 L491 L492 N493 G501 H502 I504 A505 V508 I509L467-L495 HydrophobicContact CD1-CD2 3.85Å; L491-L495 WeakPolarHBondContact O-CG 3.4Å; L491-L495 PolarHBondContact O-N 3.14Å; L492-L495 HydrophobicContact CD2-CD1 4.44Å; L492-L495 PolarHBondContact O-N 3.16Å; N493-L495 VanDerWaalsContact C-N 3.33Å; N493-L495 PolarHBondContact O-N 3.44Å; L495-G501 CarbonylContact O-C 3.44Å; L495-H502 PolarHBondContact O-CD2 3.22Å; L495-H502 PolarHBondContact O-N 3.48Å; L495-I504 HydrophobicContact CD2-CG1 4.2Å; L495-A505 HydrophobicContact CB-CB 4.13Å; L495-A505 HydrophobicContact CD1-CB 4.39Å; L495-A505 HydrophobicContact CD2-CB 4.38Å; L495-V508 HydrophobicContact CD1-CB 3.96Å; L495-V508 HydrophobicContact CD1-CG1 3.79Å; L495-V508 HydrophobicContact CD2-CB 4.21Å; L495-V508 HydrophobicContact CD2-CG1 4.35Å; L495-V508 HydrophobicContact CD2-CG2 4.17Å; L495-I509 HydrophobicContact CD1-CD1 4.33Å; L495-I509 HydrophobicContact CD1-CG1 4.06Å
496L88.5Confident88.1Confident2 Ų223.9 Ų23.91%0.0113%0.131CC..Hα-helixtrans-84.2-26.7179.8-67.8-176.8000114L492 N493 F494 H502 F525 L526 T529 W533 S543 L546 A547L492-L496 WeakPolarHBondContact O-CG 3.22Å; L492-L496 PolarHBondContact O-N 3.36Å; L492-L496 VanDerWaalsContact O-N 3.1Å; N493-L496 PolarHBondContact O-N 3.18Å; F494-L496 PolarHBondContact O-N 3.37Å; L496-H502 PolarHBondContact O-NE2 3.08Å; L496-F525 HydrophobicContact CD1-CE1 3.84Å; L496-L526 HydrophobicContact CD1-CD2 4.07Å; L496-L526 HydrophobicContact CD2-CD2 4.39Å; L496-T529 HydrophobicContact CD1-CG2 3.89Å; L496-W533 HydrophobicContact CB-CH2 4.21Å; L496-W533 HydrophobicContact CD1-CH2 4.06Å; L496-W533 HydrophobicContact CD1-CZ2 4.49Å; L496-S543 WeakPolarHBondContact O-CB 3.5Å; L496-S543 PolarHBondContact O-OG 2.94Å; L496-L546 HydrophobicContact CD2-CD2 4.29Å; L496-L546 HydrophobicContact CD2-CG 4.47Å; L496-A547 HydrophobicContact CD1-CB 4.46Å; L496-A547 HydrophobicContact CD2-CB 3.93Å
497W83.6Confident88Confident51 Ų5128.3 Ų28.319%0.19316%0.155CC..Hα-helixtrans-106.7-33-172.9-72.8112.8000114.5E409 N493 F494 W533 I538E409-W497 HydrophobicContact CG-CZ2 4.44Å; E409-W497 VanDerWaalsContact OE1-CZ2 3.24Å; E409-W497 WeakPolarHBondContact OE1-CZ2 3.3Å; E409-W497 PolarHBondContact OE1-NE1 3.5Å; N493-W497 WeakPolarHBondContact O-CB 3.39Å; N493-W497 PolarHBondContact O-N 3.24Å; F494-W497 PolarHBondContact O-N 3.46Å; W497-W533 AromaticContact CE2-CZ2 3.67Å; W497-W533 HydrophobicContact CH2-CZ2 4.06Å; W497-W533 AromaticContact CZ2-CE2 3.55Å; W497-W533 AromaticContact CZ2-CZ2 3.42Å; W497-W533 HydrophobicContact CZ2-CZ2 3.42Å; W497-W533 VanDerWaalsContact CZ2-CZ2 3.42Å; W497-W533 AromaticContact CZ2-NE1 3.37Å; W497-W533 AromaticContact NE1-CZ2 3.95Å; W497-I538 HydrophobicContact CH2-CG2 3.86Å
498A84.1Confident87.9Confident11 Ų1128.2 Ų28.29%0.09115%0.154CC..SBendtrans-80.8129.2179.100000110F494 G500 G501 H502F494-A498 HydrophobicContact CD1-CB 4.44Å; F494-A498 HydrophobicContact CD2-CB 3.79Å; F494-A498 HydrophobicContact CE1-CB 4.23Å; F494-A498 HydrophobicContact CE2-CB 3.58Å; F494-A498 HydrophobicContact CG-CB 4.24Å; F494-A498 HydrophobicContact CZ-CB 3.81Å; F494-A498 VanDerWaalsContact O-CB 3.25Å; F494-A498 WeakPolarHBondContact O-CB 3.28Å; F494-A498 PolarHBondContact O-N 3.26Å; A498-G500 PolarHBondContact O-N 3.18Å; A498-G500 VanDerWaalsContact O-N 3.16Å; A498-G501 WeakPolarHBondContact O-CA 3.2Å; A498-G501 PolarHBondContact O-N 3.13Å; A498-H502 PolarHBondContact O-N 2.79Å
499P80.9Confident87.8Confident104 Ų10428 Ų2868%0.67515%0.154SC*.Hα-helixtrans-55.5-35.6178.4-27.835000114
500G80.7Confident87.6Confident24 Ų2431.8 Ų31.825%0.24718%0.178CC..Hα-helixtrans-79-16.6174.900000114.3A498 T503A498-G500 PolarHBondContact O-N 3.18Å; A498-G500 VanDerWaalsContact O-N 3.16Å; G500-T503 PolarHBondContact O-OG1 3.05Å
501G85.1Confident87.4Confident0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-69.9-38.6170.500000111.6L495 A498 T503 I504 A505L495-G501 CarbonylContact O-C 3.44Å; A498-G501 WeakPolarHBondContact O-CA 3.2Å; A498-G501 PolarHBondContact O-N 3.13Å; G501-T503 PolarHBondContact O-N 3.19Å; G501-I504 PolarHBondContact O-N 3.18Å; G501-I504 VanDerWaalsContact O-N 3.15Å; G501-A505 PolarHBondContact O-N 2.79Å
502H85.7Confident87.1Confident43 Ų4335.4 Ų35.420%0.19920%0.197CC..Hα-helixtrans-55.4-36.8179.5-62.9156.5000113.1L495 L496 A498 I504 S543 L546L495-H502 PolarHBondContact O-CD2 3.22Å; L495-H502 PolarHBondContact O-N 3.48Å; L496-H502 PolarHBondContact O-NE2 3.08Å; A498-H502 PolarHBondContact O-N 2.79Å; H502-I504 VanDerWaalsContact C-N 3.33Å; H502-I504 PolarHBondContact O-N 3.21Å; H502-S543 PolarHBondContact NE2-OG 2.83Å; H502-L546 HydrophobicContact CB-CD2 4.09Å
503T85.3Confident86.9Confident112 Ų11236 Ų3669%0.68720%0.202SC*.THydrogen-bonded Turntrans-74.6-22.3-175.7510000113.8G500 G501G500-T503 PolarHBondContact O-OG1 3.05Å; G501-T503 PolarHBondContact O-N 3.19Å
504I89.1Confident86.6Confident12 Ų1240.9 Ų40.96%0.06223%0.225CC..THydrogen-bonded Turntrans-116.11.5-177.561.4170.5000113.1L462 L467 L495 G501 H502 W506 D507 V508L462-I504 HydrophobicContact CB-CD1 3.94Å; L462-I504 VanDerWaalsContact O-CG2 3.32Å; L462-I504 WeakPolarHBondContact O-CG2 3.46Å; L467-I504 HydrophobicContact CD1-CD1 3.54Å; L467-I504 HydrophobicContact CD1-CG1 4.47Å; L467-I504 HydrophobicContact CG-CD1 4.25Å; L495-I504 HydrophobicContact CD2-CG1 4.2Å; G501-I504 PolarHBondContact O-N 3.18Å; G501-I504 VanDerWaalsContact O-N 3.15Å; H502-I504 VanDerWaalsContact C-N 3.33Å; H502-I504 PolarHBondContact O-N 3.21Å; I504-W506 VanDerWaalsContact C-N 3.26Å; I504-W506 PolarHBondContact O-N 3.29Å; I504-D507 PolarHBondContact O-N 3.49Å; I504-D507 VanDerWaalsContact O-N 3.16Å; I504-V508 HydrophobicContact CB-CG2 4.33Å; I504-V508 HydrophobicContact CD1-CG2 4.06Å; I504-V508 HydrophobicContact CG1-CG2 4.14Å; I504-V508 VanDerWaalsContact O-CG2 3.28Å; I504-V508 WeakPolarHBondContact O-CG2 3.44Å; I504-V508 PolarHBondContact O-N 2.92Å
505A90.2Very high86.3Confident0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-55.6-41.2-173.700000112.8L495 G501 I509 L546 L550L495-A505 HydrophobicContact CB-CB 4.13Å; L495-A505 HydrophobicContact CD1-CB 4.39Å; L495-A505 HydrophobicContact CD2-CB 4.38Å; G501-A505 PolarHBondContact O-N 2.79Å; A505-I509 VanDerWaalsContact O-CB 3.29Å; A505-I509 WeakPolarHBondContact O-CB 3.33Å; A505-I509 VanDerWaalsContact O-CG1 3.29Å; A505-I509 WeakPolarHBondContact O-CG1 3.5Å; A505-I509 PolarHBondContact O-N 2.9Å; A505-L546 HydrophobicContact CB-CD1 4.3Å; A505-L546 HydrophobicContact CB-CD2 3.91Å; A505-L550 HydrophobicContact CB-CD1 4.38Å
506W89Confident86.1Confident94 Ų9446.1 Ų46.136%0.35626%0.264SS..Hα-helixtrans-60.9-51.1176.5-79107.7000113I504 V508 I509 T510 E549 L550 E553I504-W506 VanDerWaalsContact C-N 3.26Å; I504-W506 PolarHBondContact O-N 3.29Å; W506-V508 VanDerWaalsContact C-N 3.32Å; W506-V508 PolarHBondContact O-N 2.9Å; W506-I509 PolarHBondContact O-N 3.31Å; W506-T510 WeakPolarHBondContact O-CB 3.34Å; W506-T510 PolarHBondContact O-N 3.27Å; W506-T510 PolarHBondContact O-OG1 3.45Å; W506-E549 HydrophobicContact CZ2-CB 4.09Å; W506-L550 HydrophobicContact CD2-CD2 3.54Å; W506-L550 HydrophobicContact CE3-CD2 3.56Å; W506-L550 HydrophobicContact CG-CD2 4.18Å; W506-L550 HydrophobicContact CH2-CD2 3.87Å; W506-L550 HydrophobicContact CH2-CG 4.47Å; W506-L550 HydrophobicContact CZ2-CD2 3.87Å; W506-L550 HydrophobicContact CZ2-CG 4.3Å; W506-L550 HydrophobicContact CZ3-CD2 3.71Å; W506-E553 HydrophobicContact CH2-CB 3.45Å; W506-E553 VanDerWaalsContact CH2-CB 3.45Å; W506-E553 HydrophobicContact CH2-CG 3.91Å; W506-E553 HydrophobicContact CZ3-CB 3.6Å; W506-E553 HydrophobicContact CZ3-CG 3.63Å
507D88.1Confident85.9Confident95 Ų9551.5 Ų51.551%0.50829%0.289SS..Hα-helixtrans-62.8-42.9-178.4-63.5-23.3000110.6A464 I504 T510 L511A464-D507 HydrophobicContact CB-CB 3.74Å; I504-D507 PolarHBondContact O-N 3.49Å; I504-D507 VanDerWaalsContact O-N 3.16Å; D507-T510 PolarHBondContact O-N 3.37Å; D507-L511 WeakPolarHBondContact O-CB 3.42Å; D507-L511 WeakPolarHBondContact O-CD1 3.34Å; D507-L511 WeakPolarHBondContact O-CG 3.2Å; D507-L511 PolarHBondContact O-N 2.86Å
508V88.8Confident86Confident3 Ų349.4 Ų49.42%0.01828%0.282CS..Hα-helixtrans-67.4-44.1-179.8178.30000111.3A464 L467 L495 I504 W506 L511 M512A464-V508 HydrophobicContact CB-CG2 3.64Å; L467-V508 HydrophobicContact CB-CG2 4.48Å; L467-V508 HydrophobicContact CD1-CG1 4.46Å; L467-V508 HydrophobicContact CD1-CG2 3.88Å; L495-V508 HydrophobicContact CD1-CB 3.96Å; L495-V508 HydrophobicContact CD1-CG1 3.79Å; L495-V508 HydrophobicContact CD2-CB 4.21Å; L495-V508 HydrophobicContact CD2-CG1 4.35Å; L495-V508 HydrophobicContact CD2-CG2 4.17Å; I504-V508 HydrophobicContact CB-CG2 4.33Å; I504-V508 HydrophobicContact CD1-CG2 4.06Å; I504-V508 HydrophobicContact CG1-CG2 4.14Å; I504-V508 VanDerWaalsContact O-CG2 3.28Å; I504-V508 WeakPolarHBondContact O-CG2 3.44Å; I504-V508 PolarHBondContact O-N 2.92Å; W506-V508 VanDerWaalsContact C-N 3.32Å; W506-V508 PolarHBondContact O-N 2.9Å; V508-L511 PolarHBondContact O-N 2.95Å; V508-M512 HydrophobicContact CG1-CG 4.33Å; V508-M512 HydrophobicContact CG1-SD 3.73Å; V508-M512 WeakPolarHBondContact O-CB 3.44Å; V508-M512 VanDerWaalsContact O-CG 3.27Å; V508-M512 WeakPolarHBondContact O-CG 3.22Å; V508-M512 PolarHBondContact O-N 3.42Å
509I89.1Confident86.2Confident4 Ų449.3 Ų49.32%0.02128%0.28CS..Hα-helixtrans-66.2-41.3178.5-75.6168.5000111L492 L495 A505 W506 L511 M512 A513 I522 L550 L554L492-I509 HydrophobicContact CD2-CD1 4.31Å; L492-I509 HydrophobicContact CD2-CG1 4.08Å; L495-I509 HydrophobicContact CD1-CD1 4.33Å; L495-I509 HydrophobicContact CD1-CG1 4.06Å; A505-I509 VanDerWaalsContact O-CB 3.29Å; A505-I509 WeakPolarHBondContact O-CB 3.33Å; A505-I509 VanDerWaalsContact O-CG1 3.29Å; A505-I509 WeakPolarHBondContact O-CG1 3.5Å; A505-I509 PolarHBondContact O-N 2.9Å; W506-I509 PolarHBondContact O-N 3.31Å; I509-L511 PolarHBondContact O-N 3.08Å; I509-M512 PolarHBondContact O-N 3.12Å; I509-M512 VanDerWaalsContact O-N 3.12Å; I509-A513 WeakPolarHBondContact O-CB 3.26Å; I509-A513 PolarHBondContact O-N 3.5Å; I509-I522 HydrophobicContact CG2-CG2 4.44Å; I509-L550 HydrophobicContact CD1-CB 4.5Å; I509-L550 HydrophobicContact CD1-CD1 3.43Å; I509-L550 VanDerWaalsContact CD1-CD1 3.43Å; I509-L550 HydrophobicContact CD1-CD2 3.6Å; I509-L550 HydrophobicContact CD1-CG 4.03Å; I509-L554 HydrophobicContact CG2-CD1 4Å; I509-L554 HydrophobicContact CG2-CD2 3.84Å; I509-L554 HydrophobicContact CG2-CG 4.33Å
510T86.9Confident86.6Confident96 Ų9646 Ų4659%0.58926%0.256SS*.Hα-helixtrans-60-38.8176-55.80000111.3W506 D507W506-T510 WeakPolarHBondContact O-CB 3.34Å; W506-T510 PolarHBondContact O-N 3.27Å; W506-T510 PolarHBondContact O-OG1 3.45Å; D507-T510 PolarHBondContact O-N 3.37Å
511L85.7Confident86.9Confident74 Ų7445.8 Ų45.839%0.38725%0.248SC..Hα-helixtrans-72-34.6175.6-73.9169.9000113.1A464 Q468 D507 V508 I509A464-L511 HydrophobicContact CB-CD1 3.78Å; Q468-L511 HydrophobicContact CG-CD1 4.35Å; D507-L511 WeakPolarHBondContact O-CB 3.42Å; D507-L511 WeakPolarHBondContact O-CD1 3.34Å; D507-L511 WeakPolarHBondContact O-CG 3.2Å; D507-L511 PolarHBondContact O-N 2.86Å; V508-L511 PolarHBondContact O-N 2.95Å; I509-L511 PolarHBondContact O-N 3.08Å
512M86.6Confident87.2Confident4 Ų445.8 Ų45.82%0.0225%0.248CC..Hα-helixtrans-77-39.4179.3-74.4175.458.500112.7R488 L492 V508 I509 H514 I518 I522R488-M512 HydrophobicContact CB-CE 3.93Å; R488-M512 HydrophobicContact CG-CE 3.87Å; L492-M512 HydrophobicContact CD2-CE 4.23Å; L492-M512 HydrophobicContact CG-CE 4.3Å; V508-M512 HydrophobicContact CG1-CG 4.33Å; V508-M512 HydrophobicContact CG1-SD 3.73Å; V508-M512 WeakPolarHBondContact O-CB 3.44Å; V508-M512 VanDerWaalsContact O-CG 3.27Å; V508-M512 WeakPolarHBondContact O-CG 3.22Å; V508-M512 PolarHBondContact O-N 3.42Å; I509-M512 PolarHBondContact O-N 3.12Å; I509-M512 VanDerWaalsContact O-N 3.12Å; M512-H514 PolarHBondContact O-N 3.37Å; M512-H514 PolarHBondContact O-ND1 2.82Å; M512-I518 WeakPolarHBondContact O-CG2 3.31Å; M512-I522 HydrophobicContact CB-CD1 4.12Å
513A86Confident87.4Confident15 Ų1544 Ų4412%0.12424%0.24CC..  trans-77.949.2-173.700000113.3I509 I522 L554I509-A513 WeakPolarHBondContact O-CB 3.26Å; I509-A513 PolarHBondContact O-N 3.5Å; A513-I522 HydrophobicContact CB-CD1 4.03Å; A513-L554 HydrophobicContact CB-CD2 4.28Å
514H83.8Confident87.6Confident107 Ų10739.4 Ų39.450%0.49522%0.215SC..  trans-86.9-11.3-175.165.3-80.7000114M512 I518M512-H514 PolarHBondContact O-N 3.37Å; M512-H514 PolarHBondContact O-ND1 2.82Å; H514-I518 WeakPolarHBondContact CE1-CD1 3.44Å
515T85.5Confident87.7Confident50 Ų5039.7 Ų39.731%0.30722%0.215SC..SBendtrans-128.6150.5172.963.10000110.2E517 I518 T519T515-E517 PolarHBondContact O-N 3.16Å; T515-I518 PolarHBondContact O-N 2.98Å; T515-I518 WeakPolarHBondContact OG1-CD1 3.48Å; T515-I518 WeakPolarHBondContact OG1-CG1 3.46Å; T515-I518 PolarHBondContact OG1-N 2.9Å; T515-T519 PolarHBondContact O-N 3.43Å; T515-T519 PolarHBondContact O-OG1 2.96Å
516A85.3Confident87.7Confident67 Ų6739.7 Ų39.755%0.55422%0.216SC*.Hα-helixtrans-55.2-39.6175.700000111.6T519 H520A516-T519 PolarHBondContact O-N 3.39Å; A516-H520 PolarHBondContact O-N 3.06Å; A516-H520 PolarHBondContact O-ND1 2.96Å
517E84.2Confident87.7Confident115 Ų11535.9 Ų35.954%0.53720%0.202SC..Hα-helixtrans-59.7-48.2178.5-63.8-178.6-175.600112R480 T515 H520 E521R480-E517 IonicContact CZ-OE2 3.54Å; R480-E517 IonicContact NE-OE2 2.89Å; R480-E517 PolarHBondContact NE-OE2 3.29Å; R480-E517 IonicContact NH2-OE1 2.68Å; R480-E517 PolarHBondContact NH2-OE1 3.09Å; R480-E517 IonicContact NH2-OE2 2.83Å; R480-E517 PolarHBondContact NH2-OE2 2.82Å; T515-E517 PolarHBondContact O-N 3.16Å; E517-H520 PolarHBondContact O-N 2.7Å; E517-E521 PolarHBondContact O-N 3.23Å
518I86.9Confident87.8Confident8 Ų833.2 Ų33.24%0.04119%0.186CC..Hα-helixtrans-69.1-36.8178.7-65.4169000110.7L479 M512 H514 T515 H520 E521 I522L479-I518 HydrophobicContact CD1-CD1 4.34Å; M512-I518 WeakPolarHBondContact O-CG2 3.31Å; H514-I518 WeakPolarHBondContact CE1-CD1 3.44Å; T515-I518 PolarHBondContact O-N 2.98Å; T515-I518 WeakPolarHBondContact OG1-CD1 3.48Å; T515-I518 WeakPolarHBondContact OG1-CG1 3.46Å; T515-I518 PolarHBondContact OG1-N 2.9Å; I518-H520 VanDerWaalsContact C-N 3.31Å; I518-H520 PolarHBondContact O-N 3.29Å; I518-E521 WeakPolarHBondContact O-CB 3.32Å; I518-E521 PolarHBondContact O-N 3.37Å; I518-I522 HydrophobicContact CG2-CD1 3.84Å; I518-I522 HydrophobicContact CG2-CG1 4.26Å; I518-I522 VanDerWaalsContact O-CG1 3.28Å; I518-I522 WeakPolarHBondContact O-CG1 3.49Å; I518-I522 PolarHBondContact O-N 3.44Å
519T88.4Confident87.8Confident9 Ų933.1 Ų33.16%0.05519%0.186CC..Hα-helixtrans-59.2-44.1173.7-55.30000111.1T515 A516 I522 I523 L554 V558T515-T519 PolarHBondContact O-N 3.43Å; T515-T519 PolarHBondContact O-OG1 2.96Å; A516-T519 PolarHBondContact O-N 3.39Å; T519-I522 PolarHBondContact O-N 2.98Å; T519-I523 HydrophobicContact CG2-CD1 4.07Å; T519-I523 VanDerWaalsContact O-CG1 3.25Å; T519-I523 WeakPolarHBondContact O-CG1 3.36Å; T519-I523 PolarHBondContact O-N 3.09Å; T519-L554 HydrophobicContact CG2-CD2 4.19Å; T519-V558 HydrophobicContact CG2-CG2 3.47Å; T519-V558 VanDerWaalsContact CG2-CG2 3.47Å
520H87.3Confident87.8Confident35 Ų3533.2 Ų33.216%0.16219%0.187CC..Hα-helixtrans-64-41.3175-75.282.7000112.2N267 A516 E517 I518 I522 I523 G524 V558N267-H520 PolarHBondContact ND2-O 2.92Å; A516-H520 PolarHBondContact O-N 3.06Å; A516-H520 PolarHBondContact O-ND1 2.96Å; E517-H520 PolarHBondContact O-N 2.7Å; I518-H520 VanDerWaalsContact C-N 3.31Å; I518-H520 PolarHBondContact O-N 3.29Å; H520-I522 PolarHBondContact O-N 3.26Å; H520-I523 PolarHBondContact O-N 3.28Å; H520-G524 PolarHBondContact O-N 2.99Å; H520-V558 WeakPolarHBondContact CE1-CG1 3.27Å
521E88Confident87.8Confident18 Ų1829.7 Ų29.78%0.08416%0.163CC..Hα-helixtrans-57.2-47.2174.2-176.2-171.6136.200111.1L309 R488 H489 E517 I518 G524 F525L309-E521 HydrophobicContact CD1-CB 4.47Å; L309-E521 HydrophobicContact CD1-CG 4.19Å; R488-E521 IonicContact CZ-OE1 2.64Å; R488-E521 IonicContact CZ-OE2 3.97Å; R488-E521 IonicContact NE-OE1 3.78Å; R488-E521 PolarHBondContact NE-OE1 3.02Å; R488-E521 IonicContact NE-OE2 3.48Å; R488-E521 PolarHBondContact NE-OE2 3.25Å; R488-E521 IonicContact NH2-OE1 2.63Å; R488-E521 PolarHBondContact NH2-OE1 3.32Å; R488-E521 IonicContact NH2-OE2 3.49Å; R488-E521 PolarHBondContact NH2-OE2 3.09Å; H489-E521 IonicContact CD2-OE1 2.89Å; H489-E521 IonicContact NE2-OE1 3.72Å; E517-E521 PolarHBondContact O-N 3.23Å; I518-E521 WeakPolarHBondContact O-CB 3.32Å; I518-E521 PolarHBondContact O-N 3.37Å; E521-G524 PolarHBondContact O-N 2.8Å; E521-F525 WeakPolarHBondContact O-CB 3.18Å; E521-F525 PolarHBondContact O-N 2.86Å
522I90.9Very high87.8Confident0 Ų026.4 Ų26.40%015%0.145CC..Hα-helixtrans-65-43.8178.7-63165.7000111L492 I509 M512 A513 I518 T519 H520 G524 F525 L526 L554L492-I522 HydrophobicContact CD1-CB 4.5Å; L492-I522 HydrophobicContact CD1-CG1 4.1Å; L492-I522 HydrophobicContact CD1-CG2 4.39Å; L492-I522 HydrophobicContact CD2-CG1 4.35Å; L492-I522 HydrophobicContact CD2-CG2 4.06Å; I509-I522 HydrophobicContact CG2-CG2 4.44Å; M512-I522 HydrophobicContact CB-CD1 4.12Å; A513-I522 HydrophobicContact CB-CD1 4.03Å; I518-I522 HydrophobicContact CG2-CD1 3.84Å; I518-I522 HydrophobicContact CG2-CG1 4.26Å; I518-I522 VanDerWaalsContact O-CG1 3.28Å; I518-I522 WeakPolarHBondContact O-CG1 3.49Å; I518-I522 PolarHBondContact O-N 3.44Å; T519-I522 PolarHBondContact O-N 2.98Å; H520-I522 PolarHBondContact O-N 3.26Å; I522-G524 VanDerWaalsContact C-N 3.33Å; I522-G524 PolarHBondContact O-N 3.4Å; I522-F525 PolarHBondContact O-N 3.09Å; I522-L526 HydrophobicContact CG2-CD1 4.09Å; I522-L526 HydrophobicContact CG2-CG 4.36Å; I522-L526 WeakPolarHBondContact O-CG 3.49Å; I522-L526 PolarHBondContact O-N 3.15Å; I522-L554 HydrophobicContact CB-CD1 4.3Å; I522-L554 HydrophobicContact CG2-CD1 3.51Å
523I90.6Very high87.8Confident6 Ų626.5 Ų26.53%0.03115%0.145CC..Hα-helixtrans-58.5-47.5175.5-69.8169.1000110N267 T519 H520 F525 L526 D527 L551 L554 R555 V558N267-I523 HydrophobicContact CB-CB 4.46Å; N267-I523 HydrophobicContact CB-CG2 3.67Å; T519-I523 HydrophobicContact CG2-CD1 4.07Å; T519-I523 VanDerWaalsContact O-CG1 3.25Å; T519-I523 WeakPolarHBondContact O-CG1 3.36Å; T519-I523 PolarHBondContact O-N 3.09Å; H520-I523 PolarHBondContact O-N 3.28Å; I523-F525 PolarHBondContact O-N 3.43Å; I523-L526 PolarHBondContact O-N 2.82Å; I523-D527 WeakPolarHBondContact O-CB 3.21Å; I523-D527 PolarHBondContact O-N 3.35Å; I523-L551 HydrophobicContact CB-CD1 4.3Å; I523-L551 HydrophobicContact CG2-CD1 3.7Å; I523-L554 HydrophobicContact CD1-CB 3.99Å; I523-L554 HydrophobicContact CG1-CB 3.65Å; I523-L554 HydrophobicContact CG1-CD1 4.32Å; I523-R555 HydrophobicContact CD1-CG 4.36Å; I523-R555 HydrophobicContact CG2-CG 4.4Å; I523-V558 HydrophobicContact CD1-CG2 4.02Å
524G88.8Confident87.7Confident15 Ų1529.1 Ų29.116%0.15516%0.157CC..Hα-helixtrans-58.3-47177.100000112.4H520 E521 I522 L526 D527 Q528H520-G524 PolarHBondContact O-N 2.99Å; E521-G524 PolarHBondContact O-N 2.8Å; I522-G524 VanDerWaalsContact C-N 3.33Å; I522-G524 PolarHBondContact O-N 3.4Å; G524-L526 PolarHBondContact O-N 3.23Å; G524-D527 PolarHBondContact O-N 2.86Å; G524-Q528 VanDerWaalsContact O-CB 3.23Å; G524-Q528 WeakPolarHBondContact O-CB 3.31Å; G524-Q528 PolarHBondContact O-N 2.9Å
525F90.6Very high87.5Confident18 Ų1827.9 Ų27.98%0.07915%0.148CC..Hα-helixtrans-58.4-46.8176.3173.8-87.3000112.7H489 L492 N493 L496 E521 I522 I523 Q528 T529H489-F525 HydrophobicContact CB-CD2 4.29Å; H489-F525 HydrophobicContact CB-CE2 4.27Å; H489-F525 AromaticContact CD2-CD2 3.79Å; L492-F525 HydrophobicContact CB-CD1 3.63Å; L492-F525 HydrophobicContact CB-CE1 3.34Å; L492-F525 HydrophobicContact CB-CE2 4.25Å; L492-F525 HydrophobicContact CB-CG 4.23Å; L492-F525 HydrophobicContact CB-CZ 3.68Å; L492-F525 HydrophobicContact CD1-CB 3.91Å; L492-F525 HydrophobicContact CD1-CD1 3.58Å; L492-F525 HydrophobicContact CD1-CD2 4.2Å; L492-F525 HydrophobicContact CD1-CE1 4.2Å; L492-F525 HydrophobicContact CD1-CG 3.6Å; L492-F525 HydrophobicContact CG-CD1 4.18Å; L492-F525 HydrophobicContact CG-CE1 4.36Å; N493-F525 HydrophobicContact CB-CZ 4.39Å; N493-F525 WeakPolarHBondContact ND2-CE2 3.45Å; N493-F525 WeakPolarHBondContact ND2-CZ 3.39Å; L496-F525 HydrophobicContact CD1-CE1 3.84Å; E521-F525 WeakPolarHBondContact O-CB 3.18Å; E521-F525 PolarHBondContact O-N 2.86Å; I522-F525 PolarHBondContact O-N 3.09Å; I523-F525 PolarHBondContact O-N 3.43Å; F525-Q528 PolarHBondContact O-N 2.89Å; F525-T529 WeakPolarHBondContact O-CB 3.47Å; F525-T529 PolarHBondContact O-N 3.22Å; F525-T529 PolarHBondContact O-OG1 2.86Å
526L91.7Very high87.1Confident1 Ų126.5 Ų26.51%0.00514%0.139CC..Hα-helixtrans-66.3-43.6-179-70.9175.3000111.4L496 I522 I523 G524 T529 L530 A547 L550 L551 L554L496-L526 HydrophobicContact CD1-CD2 4.07Å; L496-L526 HydrophobicContact CD2-CD2 4.39Å; I522-L526 HydrophobicContact CG2-CD1 4.09Å; I522-L526 HydrophobicContact CG2-CG 4.36Å; I522-L526 WeakPolarHBondContact O-CG 3.49Å; I522-L526 PolarHBondContact O-N 3.15Å; I523-L526 PolarHBondContact O-N 2.82Å; G524-L526 PolarHBondContact O-N 3.23Å; L526-T529 PolarHBondContact O-N 3.18Å; L526-L530 WeakPolarHBondContact O-CB 3.34Å; L526-L530 WeakPolarHBondContact O-CG 3.22Å; L526-L530 PolarHBondContact O-N 3.37Å; L526-A547 HydrophobicContact CD2-CB 4.11Å; L526-L550 HydrophobicContact CD1-CB 3.77Å; L526-L551 HydrophobicContact CB-CD1 4.1Å; L526-L551 HydrophobicContact CD1-CB 4.36Å; L526-L554 HydrophobicContact CD1-CD1 3.84Å
527D89.4Confident86.6Confident14 Ų1425.7 Ų25.78%0.07514%0.137CC..Hα-helixtrans-64.9-41.7178.2-161.885.7000111.1N267 C268 L269 I523 G524 L530 Y531 L551 R555N267-D527 WeakPolarHBondContact O-CB 3.1Å; C268-D527 WeakPolarHBondContact CA-OD2 2.84Å; L269-D527 WeakPolarHBondContact CB-OD2 3Å; L269-D527 PolarHBondContact N-OD2 3.49Å; I523-D527 WeakPolarHBondContact O-CB 3.21Å; I523-D527 PolarHBondContact O-N 3.35Å; G524-D527 PolarHBondContact O-N 2.86Å; D527-L530 PolarHBondContact O-N 2.7Å; D527-Y531 WeakPolarHBondContact O-CB 3.2Å; D527-Y531 PolarHBondContact O-N 3.07Å; D527-L551 HydrophobicContact CB-CD1 4.48Å; D527-R555 IonicContact OD1-CZ 3.69Å; D527-R555 IonicContact OD1-NH2 3.96Å; D527-R555 PolarHBondContact OD1-NH2 3.15Å
528Q88.6Confident86.2Confident38 Ų3821.2 Ų21.218%0.17812%0.117CC..Hα-helixtrans-60.9-46.9173.6-177.3162.310.600113.5L269 E405 G524 F525 Y531 R532L269-Q528 VanDerWaalsContact CD1-CA 3.47Å; L269-Q528 HydrophobicContact CD1-CB 3.89Å; L269-Q528 HydrophobicContact CD1-CG 4.15Å; E405-Q528 WeakPolarHBondContact OE1-CG 3.5Å; E405-Q528 PolarHBondContact OE1-NE2 3.4Å; G524-Q528 VanDerWaalsContact O-CB 3.23Å; G524-Q528 WeakPolarHBondContact O-CB 3.31Å; G524-Q528 PolarHBondContact O-N 2.9Å; F525-Q528 PolarHBondContact O-N 2.89Å; Q528-Y531 PolarHBondContact O-N 2.91Å; Q528-R532 WeakPolarHBondContact O-CB 3.18Å; Q528-R532 PolarHBondContact O-N 3.35Å
529T89Confident85.2Confident1 Ų129.7 Ų29.71%0.00616%0.156CC..Hα-helixtrans-61.5-48.3177.9-60.70000111.2L496 F525 L526 Y531 R532 W533L496-T529 HydrophobicContact CD1-CG2 3.89Å; F525-T529 WeakPolarHBondContact O-CB 3.47Å; F525-T529 PolarHBondContact O-N 3.22Å; F525-T529 PolarHBondContact O-OG1 2.86Å; L526-T529 PolarHBondContact O-N 3.18Å; T529-Y531 PolarHBondContact O-N 2.71Å; T529-R532 PolarHBondContact O-N 3.39Å; T529-W533 HydrophobicContact CG2-CD2 3.88Å; T529-W533 HydrophobicContact CG2-CE3 4.27Å; T529-W533 HydrophobicContact CG2-CH2 3.72Å; T529-W533 HydrophobicContact CG2-CZ2 3.26Å; T529-W533 HydrophobicContact CG2-CZ3 4.18Å; T529-W533 VanDerWaalsContact O-CG 3.25Å; T529-W533 PolarHBondContact O-N 2.83Å
530L88.9Confident84.7Confident7 Ų730.1 Ų30.14%0.03716%0.16CC..Hα-helixtrans-62.7-42.9177.1-74.9172.6000111.9L526 D527 W533 N534 E544 A547 R548 L551L526-L530 WeakPolarHBondContact O-CB 3.34Å; L526-L530 WeakPolarHBondContact O-CG 3.22Å; L526-L530 PolarHBondContact O-N 3.37Å; D527-L530 PolarHBondContact O-N 2.7Å; L530-W533 HydrophobicContact CD2-CE3 4.21Å; L530-W533 HydrophobicContact CD2-CZ3 4.41Å; L530-W533 PolarHBondContact O-N 3.46Å; L530-N534 PolarHBondContact O-N 3.29Å; L530-N534 VanDerWaalsContact O-N 3.12Å; L530-N534 PolarHBondContact O-ND2 3.11Å; L530-E544 HydrophobicContact CD2-CB 4.42Å; L530-E544 HydrophobicContact CD2-CG 3.57Å; L530-A547 HydrophobicContact CD1-CB 4.16Å; L530-A547 HydrophobicContact CD2-CB 3.86Å; L530-A547 HydrophobicContact CG-CB 3.96Å; L530-R548 HydrophobicContact CD1-CG 3.75Å; L530-R548 HydrophobicContact CD2-CG 3.99Å; L530-L551 HydrophobicContact CD1-CD2 4.07Å
531Y87.2Confident84.4Confident21 Ų2133.1 Ų33.18%0.08218%0.182CC..Hα-helixtrans-58.2-49.6177.7-178.9-103.8000111.2L269 R270 E273 Q320 D527 Q528 T529 N534 R535L269-Y531 HydrophobicContact CB-CD1 4.37Å; L269-Y531 HydrophobicContact CB-CD2 4Å; L269-Y531 HydrophobicContact CB-CG 3.92Å; L269-Y531 HydrophobicContact CD1-CD1 3.72Å; L269-Y531 HydrophobicContact CD1-CG 3.78Å; R270-Y531 HydrophobicContact CG-CD2 4.13Å; E273-Y531 PolarHBondContact OE1-OH 2.96Å; E273-Y531 VanDerWaalsContact OE2-CE2 3.25Å; E273-Y531 WeakPolarHBondContact OE2-CE2 3.22Å; E273-Y531 PolarHBondContact OE2-OH 3.35Å; Q320-Y531 PolarHBondContact NE2-OH 3.02Å; Q320-Y531 VanDerWaalsContact OE1-CE1 3.23Å; Q320-Y531 PolarHBondContact OE1-OH 2.87Å; Q320-Y531 VanDerWaalsContact OE1-OH 3.07Å; D527-Y531 WeakPolarHBondContact O-CB 3.2Å; D527-Y531 PolarHBondContact O-N 3.07Å; Q528-Y531 PolarHBondContact O-N 2.91Å; T529-Y531 PolarHBondContact O-N 2.71Å; Y531-N534 PolarHBondContact O-N 3.3Å; Y531-R535 PolarHBondContact O-N 3.5Å
532R86.2Confident84.2Confident6 Ų642 Ų422%0.02322%0.215CC..Hα-helixtrans-63.6-43.2178.3-179172.554.4113.86.9112.7E405 E409 Q528 T529 N534 R535 L536E405-R532 WeakPolarHBondContact OE2-CD 3.49Å; E405-R532 IonicContact OE2-CZ 2.8Å; E405-R532 VanDerWaalsContact OE2-CZ 3.27Å; E405-R532 IonicContact OE2-NE 3.24Å; E405-R532 PolarHBondContact OE2-NE 3.4Å; E405-R532 IonicContact OE2-NH2 3.45Å; E405-R532 PolarHBondContact OE2-NH2 2.66Å; E409-R532 VanDerWaalsContact CD-NH2 3.26Å; E409-R532 IonicContact OE1-CZ 3.24Å; E409-R532 VanDerWaalsContact OE1-CZ 3.26Å; E409-R532 IonicContact OE1-NH1 2.79Å; E409-R532 PolarHBondContact OE1-NH1 3.14Å; E409-R532 IonicContact OE1-NH2 2.84Å; E409-R532 PolarHBondContact OE1-NH2 3.48Å; E409-R532 IonicContact OE2-CZ 3.29Å; E409-R532 IonicContact OE2-NH1 3.56Å; E409-R532 PolarHBondContact OE2-NH1 2.85Å; E409-R532 IonicContact OE2-NH2 3.44Å; Q528-R532 WeakPolarHBondContact O-CB 3.18Å; Q528-R532 PolarHBondContact O-N 3.35Å; T529-R532 PolarHBondContact O-N 3.39Å; R532-N534 VanDerWaalsContact C-N 3.35Å; R532-N534 PolarHBondContact O-N 3.27Å; R532-R535 WeakPolarHBondContact O-CB 3.24Å; R532-R535 PolarHBondContact O-N 3.42Å; R532-R535 VanDerWaalsContact O-N 3.12Å; R532-L536 HydrophobicContact CG-CD1 3.63Å; R532-L536 HydrophobicContact CG-CG 4.08Å; R532-L536 WeakPolarHBondContact O-CG 3.33Å; R532-L536 PolarHBondContact O-N 2.94Å
533W85.6Confident84Confident5 Ų542.1 Ų42.12%0.01922%0.216CC..Hα-helixtrans-61.4-42.4179.1-70-8.1000112.8E409 L496 W497 T529 L530 R535 L536 G537 I538 E544E409-W533 PolarHBondContact OE1-NE1 2.78Å; L496-W533 HydrophobicContact CB-CH2 4.21Å; L496-W533 HydrophobicContact CD1-CH2 4.06Å; L496-W533 HydrophobicContact CD1-CZ2 4.49Å; W497-W533 AromaticContact CE2-CZ2 3.67Å; W497-W533 HydrophobicContact CH2-CZ2 4.06Å; W497-W533 AromaticContact CZ2-CE2 3.55Å; W497-W533 AromaticContact CZ2-CZ2 3.42Å; W497-W533 HydrophobicContact CZ2-CZ2 3.42Å; W497-W533 VanDerWaalsContact CZ2-CZ2 3.42Å; W497-W533 AromaticContact CZ2-NE1 3.37Å; W497-W533 AromaticContact NE1-CZ2 3.95Å; T529-W533 HydrophobicContact CG2-CD2 3.88Å; T529-W533 HydrophobicContact CG2-CE3 4.27Å; T529-W533 HydrophobicContact CG2-CH2 3.72Å; T529-W533 HydrophobicContact CG2-CZ2 3.26Å; T529-W533 HydrophobicContact CG2-CZ3 4.18Å; T529-W533 VanDerWaalsContact O-CG 3.25Å; T529-W533 PolarHBondContact O-N 2.83Å; L530-W533 HydrophobicContact CD2-CE3 4.21Å; L530-W533 HydrophobicContact CD2-CZ3 4.41Å; L530-W533 PolarHBondContact O-N 3.46Å; W533-R535 PolarHBondContact O-N 3.35Å; W533-L536 PolarHBondContact O-N 3.3Å; W533-G537 PolarHBondContact O-N 2.89Å; W533-G537 VanDerWaalsContact O-N 3.11Å; W533-I538 HydrophobicContact CB-CB 4.32Å; W533-I538 HydrophobicContact CG-CB 4.34Å; W533-I538 HydrophobicContact CG-CG2 4.47Å; W533-I538 PolarHBondContact O-N 2.7Å; W533-E544 HydrophobicContact CE3-CB 4.23Å; W533-E544 HydrophobicContact CE3-CG 4.44Å; W533-E544 HydrophobicContact CZ3-CB 4.26Å
534N84.4Confident83.9Confident71 Ų7144.2 Ų44.238%0.3823%0.226SC..Hα-helixtrans-59.2-38.9174.9-72.9-61000111.4R270 L530 Y531 R532R270-N534 PolarHBondContact NH2-ND2 2.78Å; L530-N534 PolarHBondContact O-N 3.29Å; L530-N534 VanDerWaalsContact O-N 3.12Å; L530-N534 PolarHBondContact O-ND2 3.11Å; Y531-N534 PolarHBondContact O-N 3.3Å; R532-N534 VanDerWaalsContact C-N 3.35Å; R532-N534 PolarHBondContact O-N 3.27Å
535R79.3Confident84Confident80 Ų8049.8 Ų49.830%0.30225%0.246SC..Hα-helixtrans-71.8-48.5-179.4-166.5-178.176.6-156.86.3112.3Q320 Q357 Y531 R532 W533 G537Q320-R535 VanDerWaalsContact CD-CD 3.45Å; Q357-R535 PolarHBondContact NE2-O 2.91Å; Y531-R535 PolarHBondContact O-N 3.5Å; R532-R535 WeakPolarHBondContact O-CB 3.24Å; R532-R535 PolarHBondContact O-N 3.42Å; R532-R535 VanDerWaalsContact O-N 3.12Å; W533-R535 PolarHBondContact O-N 3.35Å; R535-G537 PolarHBondContact O-N 3.16Å
536L77.3Confident84Confident21 Ų2149.6 Ų49.611%0.1125%0.246CC..Hα-helixtrans-76.7-0.6-177.6-65.1-179000113.7P356 Q357 R532 W533 I538P356-L536 HydrophobicContact CB-CD2 4.17Å; Q357-L536 HydrophobicContact CG-CD2 3.62Å; R532-L536 HydrophobicContact CG-CD1 3.63Å; R532-L536 HydrophobicContact CG-CG 4.08Å; R532-L536 WeakPolarHBondContact O-CG 3.33Å; R532-L536 PolarHBondContact O-N 2.94Å; W533-L536 PolarHBondContact O-N 3.3Å; L536-I538 HydrophobicContact CB-CD1 3.76Å; L536-I538 HydrophobicContact CB-CG1 3.74Å; L536-I538 HydrophobicContact CD1-CD1 3.73Å; L536-I538 HydrophobicContact CG-CD1 4.4Å; L536-I538 PolarHBondContact O-N 2.62Å
537G76.2Confident84Confident51 Ų5149.6 Ų49.653%0.52625%0.245SC..THydrogen-bonded Turntrans59.932.9-175.600000112.8W533 R535 E539W533-G537 PolarHBondContact O-N 2.89Å; W533-G537 VanDerWaalsContact O-N 3.11Å; R535-G537 PolarHBondContact O-N 3.16Å; G537-E539 PolarHBondContact O-N 3.04Å
538I74.1Confident84.1Confident21 Ų2153.5 Ų53.511%0.10826%0.259CS..  trans-78.8106.6-178.2-66.8171.8000109W497 W533 L536 S540W497-I538 HydrophobicContact CH2-CG2 3.86Å; W533-I538 HydrophobicContact CB-CB 4.32Å; W533-I538 HydrophobicContact CG-CB 4.34Å; W533-I538 HydrophobicContact CG-CG2 4.47Å; W533-I538 PolarHBondContact O-N 2.7Å; L536-I538 HydrophobicContact CB-CD1 3.76Å; L536-I538 HydrophobicContact CB-CG1 3.74Å; L536-I538 HydrophobicContact CD1-CD1 3.73Å; L536-I538 HydrophobicContact CG-CD1 4.4Å; L536-I538 PolarHBondContact O-N 2.62Å; I538-S540 PolarHBondContact O-N 3.18Å; I538-S540 VanDerWaalsContact O-N 3.16Å
539E66.8Low84.2Confident185 Ų18555.7 Ų55.786%0.86427%0.269SS*.  trans-7995.6176.1-64.1-177.2176.900111.1G537G537-E539 PolarHBondContact O-N 3.04Å
540S77.7Confident84.4Confident19 Ų1955.7 Ų55.713%0.13327%0.269CS..  trans-130.368171.8-1640000109.6I538 R542 S543 E544I538-S540 PolarHBondContact O-N 3.18Å; I538-S540 VanDerWaalsContact O-N 3.16Å; S540-R542 PolarHBondContact O-N 3.26Å; S540-R542 VanDerWaalsContact O-N 3.1Å; S540-S543 PolarHBondContact O-N 3.45Å; S540-S543 VanDerWaalsContact OG-CB 3.27Å; S540-S543 WeakPolarHBondContact OG-CB 3.49Å; S540-S543 PolarHBondContact OG-OG 3.11Å; S540-E544 WeakPolarHBondContact O-CB 3.47Å; S540-E544 PolarHBondContact O-N 3.46Å
541P80.6Confident84.5Confident98 Ų9855.8 Ų55.864%0.63627%0.27SS*.Hα-helixtrans-60.2-31.5-16521.5-33.3000113.6K545P541-K545 VanDerWaalsContact O-CB 3.23Å; P541-K545 WeakPolarHBondContact O-CB 3.39Å; P541-K545 PolarHBondContact O-N 3.49Å; P541-K545 VanDerWaalsContact O-N 3.11Å
542R84.8Confident84.6Confident203 Ų20362.4 Ų62.477%0.76630%0.299SS*.Hα-helixtrans-70.5-47.7176.1-70.3-173.2179.5-178.50.4112S540 K545 L546S540-R542 PolarHBondContact O-N 3.26Å; S540-R542 VanDerWaalsContact O-N 3.1Å; R542-K545 PolarHBondContact O-N 2.91Å; R542-L546 WeakPolarHBondContact O-CB 3.5Å; R542-L546 PolarHBondContact O-N 2.78Å
543S87Confident84.6Confident4 Ų466.3 Ų66.33%0.02832%0.317CS..Hα-helixtrans-69-38.3-178.5-41.80000111.3L496 H502 S540 L546 A547L496-S543 WeakPolarHBondContact O-CB 3.5Å; L496-S543 PolarHBondContact O-OG 2.94Å; H502-S543 PolarHBondContact NE2-OG 2.83Å; S540-S543 PolarHBondContact O-N 3.45Å; S540-S543 VanDerWaalsContact OG-CB 3.27Å; S540-S543 WeakPolarHBondContact OG-CB 3.49Å; S540-S543 PolarHBondContact OG-OG 3.11Å; S543-L546 PolarHBondContact O-N 3.21Å; S543-A547 WeakPolarHBondContact O-CB 3.3Å; S543-A547 PolarHBondContact O-N 2.83Å
544E87.7Confident84.8Confident50 Ų5066.2 Ų66.223%0.23432%0.317CS..Hα-helixtrans-64.1-45.9174.9-165.8-165.8152.900111.4L530 W533 S540 L546 A547 R548L530-E544 HydrophobicContact CD2-CB 4.42Å; L530-E544 HydrophobicContact CD2-CG 3.57Å; W533-E544 HydrophobicContact CE3-CB 4.23Å; W533-E544 HydrophobicContact CE3-CG 4.44Å; W533-E544 HydrophobicContact CZ3-CB 4.26Å; S540-E544 WeakPolarHBondContact O-CB 3.47Å; S540-E544 PolarHBondContact O-N 3.46Å; E544-L546 PolarHBondContact O-N 2.94Å; E544-A547 PolarHBondContact O-N 3.18Å; E544-R548 WeakPolarHBondContact O-CB 3.47Å; E544-R548 VanDerWaalsContact O-CG 3.29Å; E544-R548 WeakPolarHBondContact O-CG 3.24Å; E544-R548 PolarHBondContact O-N 2.9Å; E544-R548 IonicContact OE1-CZ 3.49Å; E544-R548 IonicContact OE1-NE 3.37Å; E544-R548 PolarHBondContact OE1-NE 3.49Å; E544-R548 IonicContact OE1-NH2 3.84Å; E544-R548 PolarHBondContact OE1-NH2 2.79Å
545K90.3Very high84.8Confident131 Ų13166.1 Ų66.157%0.5731%0.312SS*.Hα-helixtrans-59.1-48.2174.8-179177.4172.5-178.20111.1P541 R542 R548 E549P541-K545 VanDerWaalsContact O-CB 3.23Å; P541-K545 WeakPolarHBondContact O-CB 3.39Å; P541-K545 PolarHBondContact O-N 3.49Å; P541-K545 VanDerWaalsContact O-N 3.11Å; R542-K545 PolarHBondContact O-N 2.91Å; K545-R548 PolarHBondContact O-N 3.18Å; K545-E549 WeakPolarHBondContact CE-OE1 3.48Å; K545-E549 IonicContact NZ-OE1 3.75Å; K545-E549 WeakPolarHBondContact O-CG 3.15Å; K545-E549 PolarHBondContact O-N 3.12Å
546L91.3Very high85Confident15 Ų1567 Ų678%0.07933%0.326CS..Hα-helixtrans-59.1-49.4178.1177.763.2000111.8L496 H502 A505 R542 S543 E544 R548 E549 L550L496-L546 HydrophobicContact CD2-CD2 4.29Å; L496-L546 HydrophobicContact CD2-CG 4.47Å; H502-L546 HydrophobicContact CB-CD2 4.09Å; A505-L546 HydrophobicContact CB-CD1 4.3Å; A505-L546 HydrophobicContact CB-CD2 3.91Å; R542-L546 WeakPolarHBondContact O-CB 3.5Å; R542-L546 PolarHBondContact O-N 2.78Å; S543-L546 PolarHBondContact O-N 3.21Å; E544-L546 PolarHBondContact O-N 2.94Å; L546-R548 VanDerWaalsContact C-N 3.31Å; L546-R548 PolarHBondContact O-N 3.43Å; L546-E549 PolarHBondContact O-N 2.76Å; L546-L550 HydrophobicContact CD1-CD1 4.01Å; L546-L550 HydrophobicContact CD1-CG 4.13Å; L546-L550 HydrophobicContact CG-CD1 3.82Å; L546-L550 HydrophobicContact CG-CG 4.39Å; L546-L550 WeakPolarHBondContact O-CB 3.21Å; L546-L550 VanDerWaalsContact O-CG 3.3Å; L546-L550 WeakPolarHBondContact O-CG 3.29Å; L546-L550 PolarHBondContact O-N 3.35Å
547A91.5Very high84.9Confident0 Ų071.3 Ų71.30%035%0.346CS..Hα-helixtrans-60.4-39.7179.200000112.2L496 L526 L530 S543 E544 L551L496-A547 HydrophobicContact CD1-CB 4.46Å; L496-A547 HydrophobicContact CD2-CB 3.93Å; L526-A547 HydrophobicContact CD2-CB 4.11Å; L530-A547 HydrophobicContact CD1-CB 4.16Å; L530-A547 HydrophobicContact CD2-CB 3.86Å; L530-A547 HydrophobicContact CG-CB 3.96Å; S543-A547 WeakPolarHBondContact O-CB 3.3Å; S543-A547 PolarHBondContact O-N 2.83Å; E544-A547 PolarHBondContact O-N 3.18Å; A547-L551 WeakPolarHBondContact O-CB 3.09Å; A547-L551 PolarHBondContact O-N 2.9Å
548R91.3Very high84.8Confident97 Ų9773.9 Ų73.937%0.36635%0.351SS..Hα-helixtrans-66.7-39.7175.7-71.6177-173.7-71.61.4112.6L530 E544 K545 L546 K552L530-R548 HydrophobicContact CD1-CG 3.75Å; L530-R548 HydrophobicContact CD2-CG 3.99Å; E544-R548 WeakPolarHBondContact O-CB 3.47Å; E544-R548 VanDerWaalsContact O-CG 3.29Å; E544-R548 WeakPolarHBondContact O-CG 3.24Å; E544-R548 PolarHBondContact O-N 2.9Å; E544-R548 IonicContact OE1-CZ 3.49Å; E544-R548 IonicContact OE1-NE 3.37Å; E544-R548 PolarHBondContact OE1-NE 3.49Å; E544-R548 IonicContact OE1-NH2 3.84Å; E544-R548 PolarHBondContact OE1-NH2 2.79Å; K545-R548 PolarHBondContact O-N 3.18Å; L546-R548 VanDerWaalsContact C-N 3.31Å; L546-R548 PolarHBondContact O-N 3.43Å; R548-K552 WeakPolarHBondContact O-CB 3.5Å; R548-K552 PolarHBondContact O-N 2.83Å
549E92.1Very high85.3Confident83 Ų8376.6 Ų76.639%0.38836%0.363SS..Hα-helixtrans-66-46.7176.7-72.9174.8176.300111.2W506 K545 L546 L551 K552 E553W506-E549 HydrophobicContact CZ2-CB 4.09Å; K545-E549 WeakPolarHBondContact CE-OE1 3.48Å; K545-E549 IonicContact NZ-OE1 3.75Å; K545-E549 WeakPolarHBondContact O-CG 3.15Å; K545-E549 PolarHBondContact O-N 3.12Å; L546-E549 PolarHBondContact O-N 2.76Å; E549-L551 PolarHBondContact O-N 3.23Å; E549-K552 PolarHBondContact O-N 3.41Å; E549-E553 PolarHBondContact O-N 3.43Å
550L91.7Very high86.3Confident1 Ų170.8 Ų70.81%0.00534%0.337CS..Hα-helixtrans-59.1-46.5174.7-70.6167.5000111.8A505 W506 I509 L526 L546 K552 E553 L554A505-L550 HydrophobicContact CB-CD1 4.38Å; W506-L550 HydrophobicContact CD2-CD2 3.54Å; W506-L550 HydrophobicContact CE3-CD2 3.56Å; W506-L550 HydrophobicContact CG-CD2 4.18Å; W506-L550 HydrophobicContact CH2-CD2 3.87Å; W506-L550 HydrophobicContact CH2-CG 4.47Å; W506-L550 HydrophobicContact CZ2-CD2 3.87Å; W506-L550 HydrophobicContact CZ2-CG 4.3Å; W506-L550 HydrophobicContact CZ3-CD2 3.71Å; I509-L550 HydrophobicContact CD1-CB 4.5Å; I509-L550 HydrophobicContact CD1-CD1 3.43Å; I509-L550 VanDerWaalsContact CD1-CD1 3.43Å; I509-L550 HydrophobicContact CD1-CD2 3.6Å; I509-L550 HydrophobicContact CD1-CG 4.03Å; L526-L550 HydrophobicContact CD1-CB 3.77Å; L546-L550 HydrophobicContact CD1-CD1 4.01Å; L546-L550 HydrophobicContact CD1-CG 4.13Å; L546-L550 HydrophobicContact CG-CD1 3.82Å; L546-L550 HydrophobicContact CG-CG 4.39Å; L546-L550 WeakPolarHBondContact O-CB 3.21Å; L546-L550 VanDerWaalsContact O-CG 3.3Å; L546-L550 WeakPolarHBondContact O-CG 3.29Å; L546-L550 PolarHBondContact O-N 3.35Å; L550-K552 VanDerWaalsContact C-N 3.31Å; L550-K552 PolarHBondContact O-N 2.66Å; L550-E553 PolarHBondContact O-N 3.4Å; L550-L554 WeakPolarHBondContact O-CG 3.14Å; L550-L554 PolarHBondContact O-N 2.99Å
551L90.7Very high86.8Confident10 Ų1073.7 Ų73.75%0.05235%0.348CS..Hα-helixtrans-61.7-40.1179.5-174.768.8000111.9I523 L526 D527 L530 A547 E549 E553 R555I523-L551 HydrophobicContact CB-CD1 4.3Å; I523-L551 HydrophobicContact CG2-CD1 3.7Å; L526-L551 HydrophobicContact CB-CD1 4.1Å; L526-L551 HydrophobicContact CD1-CB 4.36Å; D527-L551 HydrophobicContact CB-CD1 4.48Å; L530-L551 HydrophobicContact CD1-CD2 4.07Å; A547-L551 WeakPolarHBondContact O-CB 3.09Å; A547-L551 PolarHBondContact O-N 2.9Å; E549-L551 PolarHBondContact O-N 3.23Å; L551-E553 VanDerWaalsContact C-N 3.34Å; L551-E553 PolarHBondContact O-N 3.19Å; L551-R555 WeakPolarHBondContact O-CB 3.41Å; L551-R555 VanDerWaalsContact O-CG 3.31Å; L551-R555 WeakPolarHBondContact O-CG 3.36Å; L551-R555 PolarHBondContact O-N 3.47Å; L551-R555 VanDerWaalsContact O-N 3.11Å
552K89.6Confident87.1Confident159 Ų15972.3 Ų72.369%0.69133%0.331SS*.Hα-helixtrans-62.6-41.7178.3-177.1-178.4174.8-172.30111.7R548 E549 L550R548-K552 WeakPolarHBondContact O-CB 3.5Å; R548-K552 PolarHBondContact O-N 2.83Å; E549-K552 PolarHBondContact O-N 3.41Å; L550-K552 VanDerWaalsContact C-N 3.31Å; L550-K552 PolarHBondContact O-N 2.66Å
553E87.6Confident87.3Confident88 Ų8864.1 Ų64.141%0.41130%0.304SS..Hα-helixtrans-77.3-36.6-179.2-171.561.8-148.300112.6W506 E549 L550 L551 R555 T556W506-E553 HydrophobicContact CH2-CB 3.45Å; W506-E553 VanDerWaalsContact CH2-CB 3.45Å; W506-E553 HydrophobicContact CH2-CG 3.91Å; W506-E553 HydrophobicContact CZ3-CB 3.6Å; W506-E553 HydrophobicContact CZ3-CG 3.63Å; E549-E553 PolarHBondContact O-N 3.43Å; L550-E553 PolarHBondContact O-N 3.4Å; L551-E553 VanDerWaalsContact C-N 3.34Å; L551-E553 PolarHBondContact O-N 3.19Å; E553-R555 VanDerWaalsContact C-N 3.28Å; E553-R555 PolarHBondContact O-N 3.29Å; E553-T556 PolarHBondContact O-N 3.48Å; E553-T556 PolarHBondContact O-OG1 2.72Å
554L88Confident87.3Confident3 Ų368.1 Ų68.12%0.01632%0.322CS..Hα-helixtrans-67.3-34.1176.5-68.7170.1000111.6I509 A513 T519 I522 I523 L526 L550 T556 Q557I509-L554 HydrophobicContact CG2-CD1 4Å; I509-L554 HydrophobicContact CG2-CD2 3.84Å; I509-L554 HydrophobicContact CG2-CG 4.33Å; A513-L554 HydrophobicContact CB-CD2 4.28Å; T519-L554 HydrophobicContact CG2-CD2 4.19Å; I522-L554 HydrophobicContact CB-CD1 4.3Å; I522-L554 HydrophobicContact CG2-CD1 3.51Å; I523-L554 HydrophobicContact CD1-CB 3.99Å; I523-L554 HydrophobicContact CG1-CB 3.65Å; I523-L554 HydrophobicContact CG1-CD1 4.32Å; L526-L554 HydrophobicContact CD1-CD1 3.84Å; L550-L554 WeakPolarHBondContact O-CG 3.14Å; L550-L554 PolarHBondContact O-N 2.99Å; L554-T556 PolarHBondContact O-N 2.97Å; L554-Q557 PolarHBondContact O-N 2.96Å
555R84.9Confident87.3Confident70 Ų7069.4 Ų69.426%0.26433%0.329SS..THydrogen-bonded Turntrans-69.8-15.1174.4-74.8-179.5178161.73.4114E265 N267 I523 D527 L551 E553E265-R555 IonicContact OE1-NE 3.51Å; N267-R555 PolarHBondContact O-NH2 3.19Å; N267-R555 VanDerWaalsContact O-NH2 3.08Å; I523-R555 HydrophobicContact CD1-CG 4.36Å; I523-R555 HydrophobicContact CG2-CG 4.4Å; D527-R555 IonicContact OD1-CZ 3.69Å; D527-R555 IonicContact OD1-NH2 3.96Å; D527-R555 PolarHBondContact OD1-NH2 3.15Å; L551-R555 WeakPolarHBondContact O-CB 3.41Å; L551-R555 VanDerWaalsContact O-CG 3.31Å; L551-R555 WeakPolarHBondContact O-CG 3.36Å; L551-R555 PolarHBondContact O-N 3.47Å; L551-R555 VanDerWaalsContact O-N 3.11Å; E553-R555 VanDerWaalsContact C-N 3.28Å; E553-R555 PolarHBondContact O-N 3.29Å
556T83.8Confident87Confident97 Ų9764.7 Ų64.760%0.59531%0.31SS*.THydrogen-bonded Turntrans-86.5-11.4172.251.30000112.7E553 L554E553-T556 PolarHBondContact O-N 3.48Å; E553-T556 PolarHBondContact O-OG1 2.72Å; L554-T556 PolarHBondContact O-N 2.97Å
557Q75.8Confident86.7Confident113 Ų11368.8 Ų68.853%0.52833%0.329SS..  trans-96.8-10.9-178.9-63.8177.115.400113.7L554L554-Q557 PolarHBondContact O-N 2.96Å
558V73.2Confident86.2Confident105 Ų10575.1 Ų75.164%0.63636%0.359SS*.  trans-116.40-179.4-178.40000108.8T519 H520 I523T519-V558 HydrophobicContact CG2-CG2 3.47Å; T519-V558 VanDerWaalsContact CG2-CG2 3.47Å; H520-V558 WeakPolarHBondContact CE1-CG1 3.27Å; I523-V558 HydrophobicContact CD1-CG2 4.02Å

Retrieved 558 of 558 residues in 1622.1 ms (Link to these results)

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