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Isoform 2 of 14-3-3 protein theta AlphaSync

Canonical isoform description: Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif. Binding generally results in the modulation of the activity of the binding partner. Negatively regulates the kinase activity of PDPK1 (By similarity).

AlphaFold DB , UniProt , Accession P68254-2 (canonical: P68254), Species MOUSE (Mus musculus, Mouse), Gene Ywhaq, Length 243 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
1M72.2Confident94.2Very high125 Ų12574.1 Ų74.162%0.61636%0.355SS*.  0125.90-152.6161.475.200106.1E5 L6 K9M1-E5 WeakPolarHBondContact CA-OE2 3.31Å; M1-E5 HydrophobicContact CG-CB 3.56Å; M1-E5 HydrophobicContact CG-CG 4.42Å; M1-E5 WeakPolarHBondContact CG-OE2 2.99Å; M1-E5 HydrophobicContact SD-CB 4.35Å; M1-L6 HydrophobicContact CB-CG 4.18Å; M1-L6 HydrophobicContact CE-CB 4.08Å; M1-L6 HydrophobicContact CE-CD2 3.17Å; M1-L6 HydrophobicContact CE-CG 3.44Å; M1-L6 VanDerWaalsContact CE-CG 3.44Å; M1-L6 HydrophobicContact CG-CG 4.4Å; M1-K9 HydrophobicContact CE-CB 4.39Å; M1-K9 HydrophobicContact CE-CD 3.94Å
2E90.8Very high94.6Very high138 Ų13877.6 Ų77.665%0.64538%0.376SS*.  trans-66.2156.4-178.4-68.9-171.2166.400110.7T4 E5 L6E2-T4 PolarHBondContact O-N 3.05Å; E2-E5 HydrophobicContact CB-CG 4.38Å; E2-E5 PolarHBondContact N-OE2 3.03Å; E2-E5 PolarHBondContact O-N 3.11Å; E2-E5 VanDerWaalsContact O-N 3.11Å; E2-L6 PolarHBondContact O-N 2.91Å
3K94.5Very high94.8Very high56 Ų5672.2 Ų72.224%0.24335%0.352CS..Hα-helixtrans-50.3-43.7177.2-174.1172.9174.5-176.30111.7L6 I7 V29 E40K3-L6 WeakPolarHBondContact O-CB 3.27Å; K3-L6 PolarHBondContact O-N 3.41Å; K3-I7 HydrophobicContact CG-CD1 3.84Å; K3-I7 VanDerWaalsContact O-CG1 3.31Å; K3-I7 WeakPolarHBondContact O-CG1 3.46Å; K3-I7 PolarHBondContact O-N 3.13Å; K3-V29 HydrophobicContact CD-CG1 4.4Å; K3-V29 HydrophobicContact CG-CG1 4.14Å; K3-E40 WeakPolarHBondContact CE-OE1 3.36Å; K3-E40 VanDerWaalsContact CE-OE2 3.28Å; K3-E40 WeakPolarHBondContact CE-OE2 3.35Å; K3-E40 IonicContact NZ-OE1 3.66Å; K3-E40 PolarHBondContact NZ-OE1 3.17Å; K3-E40 IonicContact NZ-OE2 2.98Å; K3-E40 PolarHBondContact NZ-OE2 3.28Å
4T95.2Very high95.1Very high84 Ų8471.8 Ų71.852%0.51535%0.349SS..Hα-helixtrans-61.8-44.6179.5-500000112.5E2 I7 Q8E2-T4 PolarHBondContact O-N 3.05Å; T4-I7 PolarHBondContact O-N 3.37Å; T4-Q8 WeakPolarHBondContact O-CG 3.38Å; T4-Q8 PolarHBondContact O-N 3.42Å
5E96.8Very high95.2Very high93 Ų9377.8 Ų77.844%0.43538%0.376SS..Hα-helixtrans-65.5-39.9177.6-67.5178.914500111.6M1 E2 Q8 K9M1-E5 WeakPolarHBondContact CA-OE2 3.31Å; M1-E5 HydrophobicContact CG-CB 3.56Å; M1-E5 HydrophobicContact CG-CG 4.42Å; M1-E5 WeakPolarHBondContact CG-OE2 2.99Å; M1-E5 HydrophobicContact SD-CB 4.35Å; E2-E5 HydrophobicContact CB-CG 4.38Å; E2-E5 PolarHBondContact N-OE2 3.03Å; E2-E5 PolarHBondContact O-N 3.11Å; E2-E5 VanDerWaalsContact O-N 3.11Å; E5-Q8 PolarHBondContact O-N 3.36Å; E5-K9 WeakPolarHBondContact O-CB 3.17Å; E5-K9 PolarHBondContact O-N 3.48Å
6L97.7Very high95.4Very high12 Ų1276.6 Ų76.66%0.06338%0.383CS..Hα-helixtrans-61.4-45.2175-78.7160.8000112.1M1 E2 K3 K9 A10 C25 A28 V29 Q32M1-L6 HydrophobicContact CB-CG 4.18Å; M1-L6 HydrophobicContact CE-CB 4.08Å; M1-L6 HydrophobicContact CE-CD2 3.17Å; M1-L6 HydrophobicContact CE-CG 3.44Å; M1-L6 VanDerWaalsContact CE-CG 3.44Å; M1-L6 HydrophobicContact CG-CG 4.4Å; E2-L6 PolarHBondContact O-N 2.91Å; K3-L6 WeakPolarHBondContact O-CB 3.27Å; K3-L6 PolarHBondContact O-N 3.41Å; L6-K9 PolarHBondContact O-N 2.76Å; L6-A10 WeakPolarHBondContact O-CB 3.43Å; L6-A10 PolarHBondContact O-N 3.01Å; L6-C25 HydrophobicContact CD2-CB 4.09Å; L6-A28 HydrophobicContact CD1-CB 4.08Å; L6-A28 HydrophobicContact CD2-CB 3.89Å; L6-V29 HydrophobicContact CB-CG2 3.46Å; L6-V29 VanDerWaalsContact CB-CG2 3.46Å; L6-V29 HydrophobicContact CD1-CG2 3.93Å; L6-V29 HydrophobicContact CG-CG2 4.24Å; L6-Q32 VanDerWaalsContact CD1-NE2 3.33Å
7I97.5Very high95.5Very high20 Ų2080.7 Ų80.710%0.10340%0.401CS..Hα-helixtrans-66.5-43.3179-67.1165.8000110.7K3 T4 K9 A10 K11 V29 E40 L43K3-I7 HydrophobicContact CG-CD1 3.84Å; K3-I7 VanDerWaalsContact O-CG1 3.31Å; K3-I7 WeakPolarHBondContact O-CG1 3.46Å; K3-I7 PolarHBondContact O-N 3.13Å; T4-I7 PolarHBondContact O-N 3.37Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 2.88Å; I7-A10 PolarHBondContact O-N 3.28Å; I7-K11 HydrophobicContact CG2-CD 4.4Å; I7-K11 WeakPolarHBondContact O-CG 3.49Å; I7-K11 PolarHBondContact O-N 3.22Å; I7-V29 HydrophobicContact CG1-CG2 4.17Å; I7-E40 HydrophobicContact CD1-CG 3.7Å; I7-E40 WeakPolarHBondContact CD1-OE1 3.44Å; I7-E40 HydrophobicContact CG1-CG 4.26Å; I7-L43 HydrophobicContact CG2-CD1 4.12Å
8Q97.5Very high95.7Very high119 Ų11984.2 Ų84.256%0.55641%0.408SS*.Hα-helixtrans-60.4-44.1175.5-74.5177-2.800111.5T4 E5 A10 K11 L12T4-Q8 WeakPolarHBondContact O-CG 3.38Å; T4-Q8 PolarHBondContact O-N 3.42Å; E5-Q8 PolarHBondContact O-N 3.36Å; Q8-A10 PolarHBondContact O-N 3.22Å; Q8-K11 PolarHBondContact O-N 3.08Å; Q8-L12 WeakPolarHBondContact O-CG 3.38Å; Q8-L12 PolarHBondContact O-N 3.16Å
9K98.1Very high95.8Very high104 Ų10482.6 Ų82.645%0.45240%0.398SS..Hα-helixtrans-64.2-38.9175.4-171.4177.5177.9-175.50112.1M1 E5 L6 I7 L12 A13M1-K9 HydrophobicContact CE-CB 4.39Å; M1-K9 HydrophobicContact CE-CD 3.94Å; E5-K9 WeakPolarHBondContact O-CB 3.17Å; E5-K9 PolarHBondContact O-N 3.48Å; L6-K9 PolarHBondContact O-N 2.76Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 2.88Å; K9-L12 PolarHBondContact O-N 2.89Å; K9-A13 WeakPolarHBondContact O-CB 3.44Å; K9-A13 PolarHBondContact O-N 3.11Å
10A98.4Very high95.9Very high0 Ų082.8 Ų82.80%040%0.401CS..Hα-helixtrans-61.9-43.2175.800000111.7L6 I7 Q8 A13 E14 M22 C25 M26L6-A10 WeakPolarHBondContact O-CB 3.43Å; L6-A10 PolarHBondContact O-N 3.01Å; I7-A10 PolarHBondContact O-N 3.28Å; Q8-A10 PolarHBondContact O-N 3.22Å; A10-A13 PolarHBondContact O-N 2.95Å; A10-E14 PolarHBondContact O-N 3.36Å; A10-M22 HydrophobicContact CB-CG 4.18Å; A10-C25 HydrophobicContact CB-CB 3.93Å; A10-M26 HydrophobicContact CB-CG 4.13Å; A10-M26 HydrophobicContact CB-SD 3.79Å
11K98Very high96Very high64 Ų6481.3 Ų81.328%0.27840%0.395SS..Hα-helixtrans-64.2-39.6175.3-70177177.7-1770112.6I7 Q8 E14 Q15 E39 L43I7-K11 HydrophobicContact CG2-CD 4.4Å; I7-K11 WeakPolarHBondContact O-CG 3.49Å; I7-K11 PolarHBondContact O-N 3.22Å; Q8-K11 PolarHBondContact O-N 3.08Å; K11-E14 PolarHBondContact O-N 3.25Å; K11-Q15 WeakPolarHBondContact O-CG 3.41Å; K11-Q15 PolarHBondContact O-N 2.83Å; K11-Q15 VanDerWaalsContact O-N 3.14Å; K11-E39 WeakPolarHBondContact CE-OE1 3.5Å; K11-E39 IonicContact NZ-OE1 2.61Å; K11-E39 PolarHBondContact NZ-OE1 3.43Å; K11-E39 IonicContact NZ-OE2 3.1Å; K11-E39 PolarHBondContact NZ-OE2 2.83Å; K11-E39 VanDerWaalsContact NZ-OE2 3.1Å; K11-L43 HydrophobicContact CG-CD1 4.17Å; K11-L43 HydrophobicContact CG-CD2 4.18Å
12L98.2Very high97.3Very high116 Ų11675.3 Ų75.361%0.60737%0.366SS*.Hα-helixtrans-64.9-41.1172.8-71.9171.2000111.6Q8 K9 Q15 A16Q8-L12 WeakPolarHBondContact O-CG 3.38Å; Q8-L12 PolarHBondContact O-N 3.16Å; K9-L12 PolarHBondContact O-N 2.89Å; L12-Q15 PolarHBondContact O-N 3.02Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.08Å
13A98.3Very high97.6Very high7 Ų769 Ų696%0.05834%0.338CS..Hα-helixtrans-65.7-37.7177.300000112.1K9 A10 A16 E17 R18 D21 M22K9-A13 WeakPolarHBondContact O-CB 3.44Å; K9-A13 PolarHBondContact O-N 3.11Å; A10-A13 PolarHBondContact O-N 2.95Å; A13-A16 CarbonylContact O-C 3.55Å; A13-A16 PolarHBondContact O-N 3.48Å; A13-E17 PolarHBondContact O-N 3.11Å; A13-E17 VanDerWaalsContact O-N 3.08Å; A13-R18 HydrophobicContact CB-CB 4.39Å; A13-R18 PolarHBondContact O-N 2.98Å; A13-D21 HydrophobicContact CB-CB 4.05Å; A13-M22 HydrophobicContact CB-CB 3.91Å
14E97.9Very high97.8Very high67 Ų6771 Ų7131%0.31335%0.354SS..Hα-helixtrans-59.8-50.7172.7-176.4178.1-145.300111.5A10 K11 A16 E17 M22 L43A10-E14 PolarHBondContact O-N 3.36Å; K11-E14 PolarHBondContact O-N 3.25Å; E14-A16 PolarHBondContact O-N 3.19Å; E14-E17 PolarHBondContact O-N 2.98Å; E14-M22 HydrophobicContact CB-CE 3.82Å; E14-M22 HydrophobicContact CB-SD 3.83Å; E14-M22 HydrophobicContact CG-CE 4Å; E14-M22 HydrophobicContact CG-SD 4.24Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.18Å
15Q97.4Very high97.9Very high162 Ų16267.2 Ų67.276%0.75733%0.331SS*.Hα-helixtrans-63.6-26.8178.2-69.517934.500113.2K11 L12K11-Q15 WeakPolarHBondContact O-CG 3.41Å; K11-Q15 PolarHBondContact O-N 2.83Å; K11-Q15 VanDerWaalsContact O-N 3.14Å; L12-Q15 PolarHBondContact O-N 3.02Å
16A98Very high98Very high59 Ų5962.8 Ų62.849%0.48831%0.31SS..THydrogen-bonded Turntrans-90.63.3175.700000113.5L12 A13 E14 R18L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.08Å; A13-A16 CarbonylContact O-C 3.55Å; A13-A16 PolarHBondContact O-N 3.48Å; E14-A16 PolarHBondContact O-N 3.19Å; A16-R18 HydrophobicContact CB-CG 4.09Å; A16-R18 PolarHBondContact O-N 2.98Å; A16-R18 VanDerWaalsContact O-N 3.12Å
17E97.4Very high98Very high146 Ų14665.1 Ų65.168%0.68232%0.32SS*.THydrogen-bonded Turntrans54.326.2-174.4-57.3-174.7178.400114A13 E14 Y19A13-E17 PolarHBondContact O-N 3.11Å; A13-E17 VanDerWaalsContact O-N 3.08Å; E14-E17 PolarHBondContact O-N 2.98Å; E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 HydrophobicContact CB-CE2 3.87Å; E17-Y19 HydrophobicContact CG-CE2 4.41Å; E17-Y19 WeakPolarHBondContact O-CD2 3.44Å; E17-Y19 PolarHBondContact O-N 3.4Å
18R98.4Very high98.1Very high143 Ų14365.9 Ų65.954%0.5433%0.329SS..  trans-90.765.2177.6-66.9-178.261.283.79.4110.2A13 A16 D20 D21 M22A13-R18 HydrophobicContact CB-CB 4.39Å; A13-R18 PolarHBondContact O-N 2.98Å; A16-R18 HydrophobicContact CB-CG 4.09Å; A16-R18 PolarHBondContact O-N 2.98Å; A16-R18 VanDerWaalsContact O-N 3.12Å; R18-D20 VanDerWaalsContact C-N 3.3Å; R18-D20 PolarHBondContact O-N 3.03Å; R18-D21 HydrophobicContact CB-CB 4.23Å; R18-D21 IonicContact CZ-OD2 2.69Å; R18-D21 IonicContact NE-OD2 2.75Å; R18-D21 PolarHBondContact NE-OD2 2.8Å; R18-D21 IonicContact NH2-OD1 2.72Å; R18-D21 PolarHBondContact NH2-OD1 3Å; R18-D21 IonicContact NH2-OD2 3.28Å; R18-D21 PolarHBondContact NH2-OD2 3.49Å; R18-D21 WeakPolarHBondContact O-CB 3.38Å; R18-D21 PolarHBondContact O-N 3.41Å; R18-M22 PolarHBondContact O-N 3.5Å
19Y98.1Very high98.1Very high54 Ų5460.3 Ų60.321%0.21230%0.303CS..Hα-helixtrans-64.2-27.1-171.1-58.2-71.3000114.7E17 M22 A23 V46 N50 V51E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 HydrophobicContact CB-CE2 3.87Å; E17-Y19 HydrophobicContact CG-CE2 4.41Å; E17-Y19 WeakPolarHBondContact O-CD2 3.44Å; E17-Y19 PolarHBondContact O-N 3.4Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.43Å; Y19-M22 PolarHBondContact O-N 3.46Å; Y19-A23 WeakPolarHBondContact O-CB 3.41Å; Y19-A23 PolarHBondContact O-N 3.22Å; Y19-V46 HydrophobicContact CE1-CG1 4.35Å; Y19-N50 HydrophobicContact CD1-CB 3.62Å; Y19-N50 HydrophobicContact CD2-CB 3.51Å; Y19-N50 HydrophobicContact CE1-CB 4.03Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.33Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.33Å; Y19-N50 HydrophobicContact CE2-CB 3.93Å; Y19-N50 HydrophobicContact CG-CB 3.33Å; Y19-V51 WeakPolarHBondContact O-CG2 3.5Å
20D98Very high98.1Very high86 Ų8655.4 Ų55.446%0.4628%0.282SS..Hα-helixtrans-66-39172.6-61.4-81000111.7R18 A23 T24 R55R18-D20 VanDerWaalsContact C-N 3.3Å; R18-D20 PolarHBondContact O-N 3.03Å; D20-A23 PolarHBondContact O-N 3.27Å; D20-T24 WeakPolarHBondContact O-CB 3.4Å; D20-T24 PolarHBondContact O-N 3.48Å; D20-T24 PolarHBondContact O-OG1 3.34Å; D20-R55 IonicContact OD1-NH1 2.7Å; D20-R55 PolarHBondContact OD1-NH1 3.3Å
21D98.3Very high98.1Very high52 Ų5259.6 Ų59.628%0.27830%0.302SS..Hα-helixtrans-68-41174.6-67-1.5000110.4A13 R18 T24 C25A13-D21 HydrophobicContact CB-CB 4.05Å; R18-D21 HydrophobicContact CB-CB 4.23Å; R18-D21 IonicContact CZ-OD2 2.69Å; R18-D21 IonicContact NE-OD2 2.75Å; R18-D21 PolarHBondContact NE-OD2 2.8Å; R18-D21 IonicContact NH2-OD1 2.72Å; R18-D21 PolarHBondContact NH2-OD1 3Å; R18-D21 IonicContact NH2-OD2 3.28Å; R18-D21 PolarHBondContact NH2-OD2 3.49Å; R18-D21 WeakPolarHBondContact O-CB 3.38Å; R18-D21 PolarHBondContact O-N 3.41Å; D21-T24 PolarHBondContact O-N 3.08Å; D21-C25 PolarHBondContact O-N 3.1Å; D21-C25 PolarHBondContact O-SG 2.75Å
22M98.1Very high98Very high0 Ų061.2 Ų61.20%031%0.31CS..Hα-helixtrans-60.4-46.6175.7-167.1-169.5-179.100111A10 A13 E14 R18 Y19 T24 C25 M26 L43 V46 A47A10-M22 HydrophobicContact CB-CG 4.18Å; A13-M22 HydrophobicContact CB-CB 3.91Å; E14-M22 HydrophobicContact CB-CE 3.82Å; E14-M22 HydrophobicContact CB-SD 3.83Å; E14-M22 HydrophobicContact CG-CE 4Å; E14-M22 HydrophobicContact CG-SD 4.24Å; R18-M22 PolarHBondContact O-N 3.5Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.43Å; Y19-M22 PolarHBondContact O-N 3.46Å; M22-T24 VanDerWaalsContact C-N 3.35Å; M22-T24 PolarHBondContact O-N 3.37Å; M22-C25 PolarHBondContact O-N 3.08Å; M22-M26 WeakPolarHBondContact O-CG 3.17Å; M22-M26 PolarHBondContact O-N 3.06Å; M22-L43 HydrophobicContact CE-CB 3.91Å; M22-L43 HydrophobicContact CE-CD2 3.42Å; M22-L43 VanDerWaalsContact CE-CD2 3.42Å; M22-L43 HydrophobicContact CE-CG 4.28Å; M22-L43 VanDerWaalsContact CE-O 3.27Å; M22-L43 WeakPolarHBondContact CE-O 3.34Å; M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.15Å; M22-V46 HydrophobicContact SD-CG1 4.37Å; M22-A47 HydrophobicContact CB-CB 3.93Å; M22-A47 HydrophobicContact CE-CB 4.32Å; M22-A47 HydrophobicContact CG-CB 3.64Å; M22-A47 HydrophobicContact SD-CB 3.63Å
23A98.2Very high97.8Very high6 Ų657.2 Ų57.25%0.0530%0.297CS..Hα-helixtrans-64.3-40178.300000111.4Y19 D20 C25 M26 K27 A47 Y48 V51Y19-A23 WeakPolarHBondContact O-CB 3.41Å; Y19-A23 PolarHBondContact O-N 3.22Å; D20-A23 PolarHBondContact O-N 3.27Å; A23-C25 PolarHBondContact O-N 3.21Å; A23-M26 PolarHBondContact O-N 2.96Å; A23-K27 VanDerWaalsContact O-CB 3.23Å; A23-K27 WeakPolarHBondContact O-CB 3.44Å; A23-K27 PolarHBondContact O-N 2.67Å; A23-A47 HydrophobicContact CB-CB 4.02Å; A23-Y48 HydrophobicContact CB-CD1 4.25Å; A23-Y48 HydrophobicContact CB-CD2 4.4Å; A23-Y48 HydrophobicContact CB-CE1 4.09Å; A23-Y48 HydrophobicContact CB-CE2 4.22Å; A23-Y48 HydrophobicContact CB-CG 4.41Å; A23-V51 HydrophobicContact CB-CG2 4.12Å
24T98.3Very high97.6Very high96 Ų9659.5 Ų59.559%0.58932%0.316SS*.Hα-helixtrans-61.2-43.4174.7-58.40000111.6D20 D21 M22 A28D20-T24 WeakPolarHBondContact O-CB 3.4Å; D20-T24 PolarHBondContact O-N 3.48Å; D20-T24 PolarHBondContact O-OG1 3.34Å; D21-T24 PolarHBondContact O-N 3.08Å; M22-T24 VanDerWaalsContact C-N 3.35Å; M22-T24 PolarHBondContact O-N 3.37Å; T24-A28 PolarHBondContact O-N 3.43Å
25C98.2Very high97.5Very high5 Ų559.2 Ų59.23%0.03432%0.315CS..Hα-helixtrans-64.9-47.7176.9-64.10000111.3L6 A10 D21 M22 A23 K27 A28 V29L6-C25 HydrophobicContact CD2-CB 4.09Å; A10-C25 HydrophobicContact CB-CB 3.93Å; D21-C25 PolarHBondContact O-N 3.1Å; D21-C25 PolarHBondContact O-SG 2.75Å; M22-C25 PolarHBondContact O-N 3.08Å; A23-C25 PolarHBondContact O-N 3.21Å; C25-K27 PolarHBondContact O-N 2.72Å; C25-A28 PolarHBondContact O-N 2.7Å; C25-V29 WeakPolarHBondContact O-CG2 3.29Å; C25-V29 PolarHBondContact O-N 2.85Å
26M98.5Very high97.5Very high0 Ų051.8 Ų51.80%028%0.28CS..Hα-helixtrans-71-29.6-177.2-66.1-50.9-52.500113.3A10 M22 A23 V29 T30 E40 L43 L44A10-M26 HydrophobicContact CB-CG 4.13Å; A10-M26 HydrophobicContact CB-SD 3.79Å; M22-M26 WeakPolarHBondContact O-CG 3.17Å; M22-M26 PolarHBondContact O-N 3.06Å; A23-M26 PolarHBondContact O-N 2.96Å; M26-V29 HydrophobicContact CE-CB 4.33Å; M26-V29 HydrophobicContact CE-CG1 4.37Å; M26-V29 PolarHBondContact O-N 2.88Å; M26-T30 WeakPolarHBondContact O-CB 3.49Å; M26-T30 PolarHBondContact O-N 3.16Å; M26-T30 PolarHBondContact O-OG1 3.28Å; M26-E40 HydrophobicContact CE-CB 4.11Å; M26-E40 WeakPolarHBondContact CE-O 3.25Å; M26-L43 HydrophobicContact CE-CB 4.03Å; M26-L43 HydrophobicContact CG-CB 4.07Å; M26-L43 HydrophobicContact SD-CB 3.76Å; M26-L43 HydrophobicContact SD-CD1 4.2Å; M26-L44 HydrophobicContact CB-CB 4.17Å; M26-L44 HydrophobicContact CB-CD1 3.64Å; M26-L44 HydrophobicContact CE-CB 4.25Å
27K98.3Very high97.5Very high62 Ų6251.5 Ų51.527%0.2727%0.274SS..Hα-helixtrans-58.6-52.6166.9179169.9-178.6174.90110.7A23 C25 V29 T30 E31 T96 L100A23-K27 VanDerWaalsContact O-CB 3.23Å; A23-K27 WeakPolarHBondContact O-CB 3.44Å; A23-K27 PolarHBondContact O-N 2.67Å; C25-K27 PolarHBondContact O-N 2.72Å; K27-V29 VanDerWaalsContact C-N 3.29Å; K27-V29 PolarHBondContact O-N 3.03Å; K27-T30 WeakPolarHBondContact O-CB 3.46Å; K27-T30 PolarHBondContact O-N 3.43Å; K27-T30 VanDerWaalsContact O-N 3.1Å; K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 HydrophobicContact CG-CG 4.43Å; K27-E31 IonicContact NZ-OE1 2.82Å; K27-E31 WeakPolarHBondContact O-CG 3.3Å; K27-E31 PolarHBondContact O-N 3.45Å; K27-T96 HydrophobicContact CD-CG2 4.04Å; K27-L100 HydrophobicContact CB-CD1 4.26Å; K27-L100 HydrophobicContact CG-CD1 4.1Å; K27-L100 HydrophobicContact CG-CD2 4.19Å
28A98.2Very high97.2Very high35 Ų3548.4 Ų48.429%0.28926%0.263SS..Hα-helixtrans-64-32179.500000113L6 T24 C25 Q32L6-A28 HydrophobicContact CD1-CB 4.08Å; L6-A28 HydrophobicContact CD2-CB 3.89Å; T24-A28 PolarHBondContact O-N 3.43Å; C25-A28 PolarHBondContact O-N 2.7Å; A28-Q32 WeakPolarHBondContact O-CG 3.48Å
29V98Very high97.1Very high2 Ų246.5 Ų46.51%0.01226%0.26CS..Hα-helixtrans-66.2-45171.4173.40000110.9K3 L6 I7 C25 M26 K27 E31 Q32 L36K3-V29 HydrophobicContact CD-CG1 4.4Å; K3-V29 HydrophobicContact CG-CG1 4.14Å; L6-V29 HydrophobicContact CB-CG2 3.46Å; L6-V29 VanDerWaalsContact CB-CG2 3.46Å; L6-V29 HydrophobicContact CD1-CG2 3.93Å; L6-V29 HydrophobicContact CG-CG2 4.24Å; I7-V29 HydrophobicContact CG1-CG2 4.17Å; C25-V29 WeakPolarHBondContact O-CG2 3.29Å; C25-V29 PolarHBondContact O-N 2.85Å; M26-V29 HydrophobicContact CE-CB 4.33Å; M26-V29 HydrophobicContact CE-CG1 4.37Å; M26-V29 PolarHBondContact O-N 2.88Å; K27-V29 VanDerWaalsContact C-N 3.29Å; K27-V29 PolarHBondContact O-N 3.03Å; V29-E31 PolarHBondContact O-N 2.88Å; V29-Q32 WeakPolarHBondContact O-CB 3.4Å; V29-Q32 PolarHBondContact O-N 2.72Å; V29-L36 HydrophobicContact CG1-CD2 3.8Å
30T98Very high97.1Very high1 Ų144.9 Ų44.91%0.00625%0.254CS..Hα-helixtrans-64.4-40.7-179.6-56.50000111.8M26 K27 Q32 G33 L100 Y104 L105M26-T30 WeakPolarHBondContact O-CB 3.49Å; M26-T30 PolarHBondContact O-N 3.16Å; M26-T30 PolarHBondContact O-OG1 3.28Å; K27-T30 WeakPolarHBondContact O-CB 3.46Å; K27-T30 PolarHBondContact O-N 3.43Å; K27-T30 VanDerWaalsContact O-N 3.1Å; T30-Q32 PolarHBondContact O-N 2.82Å; T30-G33 PolarHBondContact O-N 3.37Å; T30-L100 HydrophobicContact CG2-CB 4.32Å; T30-L100 HydrophobicContact CG2-CD2 3.93Å; T30-Y104 HydrophobicContact CG2-CD2 4.42Å; T30-Y104 HydrophobicContact CG2-CG 4.3Å; T30-L105 HydrophobicContact CG2-CD1 4.14Å; T30-L105 HydrophobicContact CG2-CD2 3.56Å; T30-L105 HydrophobicContact CG2-CG 3.74Å
31E97.6Very high97Very high89 Ų8941.1 Ų41.142%0.41623%0.234SC..THydrogen-bonded Turntrans-69.2-10.1-179.9-71.4176161.500113.8K27 V29 G33 L100 Y104K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 HydrophobicContact CG-CG 4.43Å; K27-E31 IonicContact NZ-OE1 2.82Å; K27-E31 WeakPolarHBondContact O-CG 3.3Å; K27-E31 PolarHBondContact O-N 3.45Å; V29-E31 PolarHBondContact O-N 2.88Å; E31-G33 PolarHBondContact O-N 3.08Å; E31-L100 HydrophobicContact CG-CD2 3.89Å; E31-Y104 HydrophobicContact CG-CE2 3.97Å
32Q96.4Very high96.8Very high97 Ų9742.5 Ų42.545%0.45324%0.241SC..THydrogen-bonded Turntrans-70.7-12.5169.1-67177.32900112.9L6 A28 V29 T30 A34L6-Q32 VanDerWaalsContact CD1-NE2 3.33Å; A28-Q32 WeakPolarHBondContact O-CG 3.48Å; V29-Q32 WeakPolarHBondContact O-CB 3.4Å; V29-Q32 PolarHBondContact O-N 2.72Å; T30-Q32 PolarHBondContact O-N 2.82Å; Q32-A34 PolarHBondContact O-N 3.37Å
33G94.2Very high96.8Very high32 Ų3242.9 Ų42.933%0.3324%0.243SC..  trans84.2-2.3167.800000116.4T30 E31 N108T30-G33 PolarHBondContact O-N 3.37Å; E31-G33 PolarHBondContact O-N 3.08Å; G33-N108 PolarHBondContact O-ND2 2.79Å
34A94.5Very high96.8Very high56 Ų5642.8 Ų42.846%0.46324%0.242SC..SBendtrans-79.3146.917100000111.2Q32 L36Q32-A34 PolarHBondContact O-N 3.37Å; A34-L36 PolarHBondContact O-N 3.31Å
35E96.3Very high96.7Very high60 Ų6039.9 Ų39.928%0.2823%0.225SC..PPolyproline II helixtrans-59.3135.2170.7-170.2174.3-167.700109.7T110 S114E35-T110 PolarHBondContact OE1-N 3.5Å; E35-T110 PolarHBondContact OE1-OG1 2.9Å; E35-T110 WeakPolarHBondContact OE2-CB 3.13Å; E35-T110 VanDerWaalsContact OE2-CG2 3.24Å; E35-T110 WeakPolarHBondContact OE2-CG2 3.36Å; E35-T110 PolarHBondContact OE2-OG1 2.07Å; E35-S114 PolarHBondContact OE1-OG 2.92Å
36L97.3Very high96.6Very high7 Ų741.9 Ų41.94%0.03724%0.237CC..PPolyproline II helixtrans-77142.1-178.5-60.4-173.1000110.7V29 A34 E40 R41 L44 L105V29-L36 HydrophobicContact CG1-CD2 3.8Å; A34-L36 PolarHBondContact O-N 3.31Å; L36-E40 WeakPolarHBondContact CA-OE2 3.27Å; L36-E40 HydrophobicContact CB-CB 3.89Å; L36-E40 HydrophobicContact CD2-CB 4.22Å; L36-E40 HydrophobicContact CG-CB 4.43Å; L36-R41 HydrophobicContact CB-CB 4.42Å; L36-L44 HydrophobicContact CD1-CB 4.49Å; L36-L44 HydrophobicContact CD1-CD2 4.06Å; L36-L105 HydrophobicContact CD1-CD2 3.61Å; L36-L105 HydrophobicContact CG-CD2 3.77Å
37S96.3Very high96.6Very high52 Ų5241.9 Ų41.936%0.36424%0.237SC..PPolyproline II helixtrans-66.5164.9166.874.70000111.2E39 E40 R41S37-E39 PolarHBondContact O-N 3.29Å; S37-E40 PolarHBondContact N-OE2 3.04Å; S37-E40 PolarHBondContact O-N 2.9Å; S37-E40 VanDerWaalsContact O-N 3.15Å; S37-E40 VanDerWaalsContact OG-CD 3.3Å; S37-E40 VanDerWaalsContact OG-CG 3.3Å; S37-E40 WeakPolarHBondContact OG-CG 3.29Å; S37-E40 PolarHBondContact OG-N 3.12Å; S37-R41 VanDerWaalsContact O-CB 3.3Å; S37-R41 WeakPolarHBondContact O-CB 3.46Å; S37-R41 PolarHBondContact O-N 3.16Å
38N93.1Very high96.6Very high82 Ų8239.6 Ų39.644%0.43923%0.227SC..Hα-helixtrans-56.7-37.8176.1-75.4-1.7000112.4R41 N42 E113N38-R41 PolarHBondContact OD1-NH1 3.25Å; N38-R41 PolarHBondContact OD1-NH2 3.12Å; N38-N42 WeakPolarHBondContact O-CB 3.38Å; N38-N42 PolarHBondContact O-N 2.9Å; N38-N42 PolarHBondContact O-ND2 3.24Å; N38-N42 PolarHBondContact O-OD1 2.95Å; N38-E113 PolarHBondContact ND2-OE1 3.49Å
39E94.9Very high96.5Very high103 Ų10344.5 Ų44.548%0.48124%0.242SC..Hα-helixtrans-66-47.5175.8-176177.5-144.300111.5K11 S37 R41 N42 L43K11-E39 WeakPolarHBondContact CE-OE1 3.5Å; K11-E39 IonicContact NZ-OE1 2.61Å; K11-E39 PolarHBondContact NZ-OE1 3.43Å; K11-E39 IonicContact NZ-OE2 3.1Å; K11-E39 PolarHBondContact NZ-OE2 2.83Å; K11-E39 VanDerWaalsContact NZ-OE2 3.1Å; S37-E39 PolarHBondContact O-N 3.29Å; E39-R41 PolarHBondContact O-N 3.33Å; E39-N42 PolarHBondContact O-N 3.49Å; E39-L43 HydrophobicContact CG-CD1 4.45Å; E39-L43 WeakPolarHBondContact O-CG 3.39Å; E39-L43 PolarHBondContact O-N 3.41Å
40E97.7Very high96.5Very high19 Ų1947.4 Ų47.49%0.08926%0.257CS..Hα-helixtrans-63.2-42179-70.1161.5-171.800111.7K3 I7 M26 L36 S37 N42 L43 L44K3-E40 WeakPolarHBondContact CE-OE1 3.36Å; K3-E40 VanDerWaalsContact CE-OE2 3.28Å; K3-E40 WeakPolarHBondContact CE-OE2 3.35Å; K3-E40 IonicContact NZ-OE1 3.66Å; K3-E40 PolarHBondContact NZ-OE1 3.17Å; K3-E40 IonicContact NZ-OE2 2.98Å; K3-E40 PolarHBondContact NZ-OE2 3.28Å; I7-E40 HydrophobicContact CD1-CG 3.7Å; I7-E40 WeakPolarHBondContact CD1-OE1 3.44Å; I7-E40 HydrophobicContact CG1-CG 4.26Å; M26-E40 HydrophobicContact CE-CB 4.11Å; M26-E40 WeakPolarHBondContact CE-O 3.25Å; L36-E40 WeakPolarHBondContact CA-OE2 3.27Å; L36-E40 HydrophobicContact CB-CB 3.89Å; L36-E40 HydrophobicContact CD2-CB 4.22Å; L36-E40 HydrophobicContact CG-CB 4.43Å; S37-E40 PolarHBondContact N-OE2 3.04Å; S37-E40 PolarHBondContact O-N 2.9Å; S37-E40 VanDerWaalsContact O-N 3.15Å; S37-E40 VanDerWaalsContact OG-CD 3.3Å; S37-E40 VanDerWaalsContact OG-CG 3.3Å; S37-E40 WeakPolarHBondContact OG-CG 3.29Å; S37-E40 PolarHBondContact OG-N 3.12Å; E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 3.08Å; E40-L43 PolarHBondContact O-N 3.25Å; E40-L44 PolarHBondContact O-N 2.88Å
41R96.8Very high96.4Very high8 Ų847.8 Ų47.83%0.0326%0.26CS..Hα-helixtrans-59.7-43.3174.8-177.5-177.775.2-165.9-2.5111.5L36 S37 N38 E39 L44 S45 E113 F117 Y118L36-R41 HydrophobicContact CB-CB 4.42Å; S37-R41 VanDerWaalsContact O-CB 3.3Å; S37-R41 WeakPolarHBondContact O-CB 3.46Å; S37-R41 PolarHBondContact O-N 3.16Å; N38-R41 PolarHBondContact OD1-NH1 3.25Å; N38-R41 PolarHBondContact OD1-NH2 3.12Å; E39-R41 PolarHBondContact O-N 3.33Å; R41-L44 PolarHBondContact O-N 3.1Å; R41-S45 WeakPolarHBondContact O-CB 3.47Å; R41-S45 PolarHBondContact O-N 3.21Å; R41-E113 IonicContact CZ-OE1 2.74Å; R41-E113 IonicContact NH1-OE1 2.77Å; R41-E113 PolarHBondContact NH1-OE1 3.19Å; R41-E113 VanDerWaalsContact NH1-OE1 3.13Å; R41-E113 IonicContact NH2-OE1 3.13Å; R41-E113 PolarHBondContact NH2-OE1 2.9Å; R41-F117 HydrophobicContact CG-CD1 3.55Å; R41-F117 HydrophobicContact CG-CD2 4.49Å; R41-F117 HydrophobicContact CG-CE1 3.34Å; R41-F117 HydrophobicContact CG-CE2 4.31Å; R41-F117 HydrophobicContact CG-CG 4.14Å; R41-F117 HydrophobicContact CG-CZ 3.75Å; R41-Y118 HydrophobicContact CG-CE1 3.79Å
42N94.7Very high96.4Very high80 Ų8043.6 Ų43.643%0.42824%0.24SC..Hα-helixtrans-65-44.3177-73.2-10.9000111.5N38 E39 E40 L44 S45 V46N38-N42 WeakPolarHBondContact O-CB 3.38Å; N38-N42 PolarHBondContact O-N 2.9Å; N38-N42 PolarHBondContact O-ND2 3.24Å; N38-N42 PolarHBondContact O-OD1 2.95Å; E39-N42 PolarHBondContact O-N 3.49Å; E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 3.08Å; N42-L44 PolarHBondContact O-N 3.38Å; N42-S45 PolarHBondContact O-N 2.99Å; N42-V46 WeakPolarHBondContact O-CG2 3.39Å; N42-V46 PolarHBondContact O-N 3.39Å
43L97.8Very high96.4Very high9 Ų940 Ų405%0.04723%0.229CC..Hα-helixtrans-58.3-46.4175.5-70.2170.2000111.7I7 K11 E14 M22 M26 E39 E40 S45 V46 A47I7-L43 HydrophobicContact CG2-CD1 4.12Å; K11-L43 HydrophobicContact CG-CD1 4.17Å; K11-L43 HydrophobicContact CG-CD2 4.18Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.18Å; M22-L43 HydrophobicContact CE-CB 3.91Å; M22-L43 HydrophobicContact CE-CD2 3.42Å; M22-L43 VanDerWaalsContact CE-CD2 3.42Å; M22-L43 HydrophobicContact CE-CG 4.28Å; M22-L43 VanDerWaalsContact CE-O 3.27Å; M22-L43 WeakPolarHBondContact CE-O 3.34Å; M26-L43 HydrophobicContact CE-CB 4.03Å; M26-L43 HydrophobicContact CG-CB 4.07Å; M26-L43 HydrophobicContact SD-CB 3.76Å; M26-L43 HydrophobicContact SD-CD1 4.2Å; E39-L43 HydrophobicContact CG-CD1 4.45Å; E39-L43 WeakPolarHBondContact O-CG 3.39Å; E39-L43 PolarHBondContact O-N 3.41Å; E40-L43 PolarHBondContact O-N 3.25Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.33Å; L43-V46 PolarHBondContact O-N 2.88Å; L43-A47 WeakPolarHBondContact O-CB 3.29Å; L43-A47 PolarHBondContact O-N 3.24Å
44L98.1Very high96.5Very high3 Ų340.6 Ų40.62%0.01624%0.235CC..Hα-helixtrans-57.6-47.6176.3-179.874.9000111.3M26 L36 E40 R41 N42 A47 Y48 L100 L105M26-L44 HydrophobicContact CB-CB 4.17Å; M26-L44 HydrophobicContact CB-CD1 3.64Å; M26-L44 HydrophobicContact CE-CB 4.25Å; L36-L44 HydrophobicContact CD1-CB 4.49Å; L36-L44 HydrophobicContact CD1-CD2 4.06Å; E40-L44 PolarHBondContact O-N 2.88Å; R41-L44 PolarHBondContact O-N 3.1Å; N42-L44 PolarHBondContact O-N 3.38Å; L44-A47 PolarHBondContact O-N 3.09Å; L44-Y48 HydrophobicContact CD1-CD2 3.56Å; L44-Y48 HydrophobicContact CD1-CE2 3.48Å; L44-Y48 VanDerWaalsContact CD1-CE2 3.48Å; L44-Y48 HydrophobicContact CG-CD2 4.14Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 PolarHBondContact O-N 3.11Å; L44-Y48 VanDerWaalsContact O-N 3.1Å; L44-L100 HydrophobicContact CD1-CD1 4.48Å; L44-L105 HydrophobicContact CD2-CD1 3.48Å; L44-L105 VanDerWaalsContact CD2-CD1 3.48Å
45S96.7Very high96.7Very high35 Ų3541.1 Ų41.125%0.24523%0.225CC..Hα-helixtrans-62.7-46.2179.9174.70000112.1R41 N42 L43 K49R41-S45 WeakPolarHBondContact O-CB 3.47Å; R41-S45 PolarHBondContact O-N 3.21Å; N42-S45 PolarHBondContact O-N 2.99Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.33Å; S45-K49 WeakPolarHBondContact O-CB 3.35Å; S45-K49 PolarHBondContact O-N 2.79Å
46V96.2Very high96.7Very high48 Ų4839.7 Ų39.729%0.29122%0.217SC..Hα-helixtrans-62.5-45.1178.2170.60000111.1Y19 M22 N42 L43 K49 N50Y19-V46 HydrophobicContact CE1-CG1 4.35Å; M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.15Å; M22-V46 HydrophobicContact SD-CG1 4.37Å; N42-V46 WeakPolarHBondContact O-CG2 3.39Å; N42-V46 PolarHBondContact O-N 3.39Å; L43-V46 PolarHBondContact O-N 2.88Å; V46-K49 PolarHBondContact O-N 2.85Å; V46-N50 PolarHBondContact O-N 2.98Å; V46-N50 VanDerWaalsContact O-N 3.12Å; V46-N50 PolarHBondContact O-ND2 3.44Å
47A98.2Very high96.7Very high0 Ų042.5 Ų42.50%024%0.238CC..Hα-helixtrans-58.4-57.6-179.900000111.4M22 A23 L43 L44 K49 N50 V51M22-A47 HydrophobicContact CB-CB 3.93Å; M22-A47 HydrophobicContact CE-CB 4.32Å; M22-A47 HydrophobicContact CG-CB 3.64Å; M22-A47 HydrophobicContact SD-CB 3.63Å; A23-A47 HydrophobicContact CB-CB 4.02Å; L43-A47 WeakPolarHBondContact O-CB 3.29Å; L43-A47 PolarHBondContact O-N 3.24Å; L44-A47 PolarHBondContact O-N 3.09Å; A47-K49 VanDerWaalsContact C-N 3.34Å; A47-K49 PolarHBondContact O-N 3.49Å; A47-N50 PolarHBondContact O-N 3.4Å; A47-V51 WeakPolarHBondContact O-CG2 3.16Å; A47-V51 PolarHBondContact O-N 3Å
48Y98.2Very high96.8Very high13 Ų1341.9 Ų41.95%0.05124%0.235CC..Hα-helixtrans-72.1-27.1-176.4-81.2-73.3000113A23 L44 V52 I93 T96 V97 L100 Y125A23-Y48 HydrophobicContact CB-CD1 4.25Å; A23-Y48 HydrophobicContact CB-CD2 4.4Å; A23-Y48 HydrophobicContact CB-CE1 4.09Å; A23-Y48 HydrophobicContact CB-CE2 4.22Å; A23-Y48 HydrophobicContact CB-CG 4.41Å; L44-Y48 HydrophobicContact CD1-CD2 3.56Å; L44-Y48 HydrophobicContact CD1-CE2 3.48Å; L44-Y48 VanDerWaalsContact CD1-CE2 3.48Å; L44-Y48 HydrophobicContact CG-CD2 4.14Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 PolarHBondContact O-N 3.11Å; L44-Y48 VanDerWaalsContact O-N 3.1Å; Y48-V52 WeakPolarHBondContact O-CB 3.35Å; Y48-V52 WeakPolarHBondContact O-CG1 3.4Å; Y48-V52 PolarHBondContact O-N 3.46Å; Y48-I93 HydrophobicContact CD1-CG2 4.2Å; Y48-T96 HydrophobicContact CE1-CG2 4.31Å; Y48-T96 WeakPolarHBondContact OH-CG2 3.32Å; Y48-V97 HydrophobicContact CD1-CG2 3.27Å; Y48-V97 HydrophobicContact CD2-CG2 3.99Å; Y48-V97 HydrophobicContact CE1-CG2 3.63Å; Y48-V97 HydrophobicContact CE2-CG2 4.3Å; Y48-V97 HydrophobicContact CG-CG2 3.46Å; Y48-V97 VanDerWaalsContact CG-CG2 3.46Å; Y48-L100 HydrophobicContact CE2-CD1 3.94Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.22Å; Y48-Y125 PolarHBondContact O-OH 3.45Å; Y48-Y125 VanDerWaalsContact O-OH 3.06Å
49K96.1Very high97Very high138 Ų13840 Ų4060%0.622%0.222SC*.Hα-helixtrans-62.6-43.5171.8175.9176.6172.6173.30111.5S45 V46 A47 G53 Y125S45-K49 WeakPolarHBondContact O-CB 3.35Å; S45-K49 PolarHBondContact O-N 2.79Å; V46-K49 PolarHBondContact O-N 2.85Å; A47-K49 VanDerWaalsContact C-N 3.34Å; A47-K49 PolarHBondContact O-N 3.49Å; K49-G53 WeakPolarHBondContact O-CA 3.46Å; K49-G53 PolarHBondContact O-N 3.28Å; K49-Y125 PolarHBondContact N-OH 3.5Å
50N96.5Very high97.1Very high63 Ų6340 Ų4034%0.33722%0.218SC..Hα-helixtrans-71-44.8178.3-80.2-73.2000111.8Y19 V46 A47 V52 G53 G54Y19-N50 HydrophobicContact CD1-CB 3.62Å; Y19-N50 HydrophobicContact CD2-CB 3.51Å; Y19-N50 HydrophobicContact CE1-CB 4.03Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.33Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.33Å; Y19-N50 HydrophobicContact CE2-CB 3.93Å; Y19-N50 HydrophobicContact CG-CB 3.33Å; V46-N50 PolarHBondContact O-N 2.98Å; V46-N50 VanDerWaalsContact O-N 3.12Å; V46-N50 PolarHBondContact O-ND2 3.44Å; A47-N50 PolarHBondContact O-N 3.4Å; N50-V52 PolarHBondContact O-N 3.41Å; N50-G53 PolarHBondContact O-N 2.93Å; N50-G54 PolarHBondContact O-N 3.18Å
51V97.1Very high97.1Very high10 Ų1043.3 Ų43.36%0.06124%0.239CC..Hα-helixtrans-59-46.5178.6171.90000111.4Y19 A23 A47 R55 I93Y19-V51 WeakPolarHBondContact O-CG2 3.5Å; A23-V51 HydrophobicContact CB-CG2 4.12Å; A47-V51 WeakPolarHBondContact O-CG2 3.16Å; A47-V51 PolarHBondContact O-N 3Å; V51-R55 WeakPolarHBondContact O-CD 3.45Å; V51-I93 HydrophobicContact CG1-CD1 3.7Å; V51-I93 HydrophobicContact CG1-CG1 3.95Å; V51-I93 HydrophobicContact CG1-CG2 4.15Å
52V97.4Very high97.2Very high1 Ų143.8 Ų43.81%0.00624%0.242CC..Hα-helixtrans-73.4-34.7176.979.20000112Y48 N50 G54 R55 R56 L90 I93 Y125 Y128Y48-V52 WeakPolarHBondContact O-CB 3.35Å; Y48-V52 WeakPolarHBondContact O-CG1 3.4Å; Y48-V52 PolarHBondContact O-N 3.46Å; N50-V52 PolarHBondContact O-N 3.41Å; V52-G54 VanDerWaalsContact C-N 3.35Å; V52-G54 PolarHBondContact O-N 3.01Å; V52-R55 PolarHBondContact O-N 3.49Å; V52-R56 HydrophobicContact CG2-CG 4.32Å; V52-R56 WeakPolarHBondContact O-CG 3.23Å; V52-R56 PolarHBondContact O-N 3.48Å; V52-L90 HydrophobicContact CG2-CG 4.39Å; V52-I93 HydrophobicContact CB-CG2 3.98Å; V52-I93 HydrophobicContact CG2-CG2 4.24Å; V52-Y125 HydrophobicContact CB-CE1 4.19Å; V52-Y125 HydrophobicContact CG1-CE1 4.13Å; V52-Y125 HydrophobicContact CG2-CE1 4.29Å; V52-Y128 HydrophobicContact CG1-CD2 4.19Å; V52-Y128 HydrophobicContact CG1-CE2 4Å; V52-Y128 HydrophobicContact CG2-CD2 4.09Å
53G96.3Very high97.3Very high21 Ų2140.6 Ų40.622%0.21623%0.226CC..Hα-helixtrans-59.4-42.2179.800000112.7K49 N50 R55 R56 S57K49-G53 WeakPolarHBondContact O-CA 3.46Å; K49-G53 PolarHBondContact O-N 3.28Å; N50-G53 PolarHBondContact O-N 2.93Å; G53-R55 PolarHBondContact O-N 3.19Å; G53-R56 PolarHBondContact O-N 2.93Å; G53-S57 WeakPolarHBondContact O-CB 3.34Å; G53-S57 PolarHBondContact O-N 2.84Å; G53-S57 PolarHBondContact O-OG 2.88Å
54G96.3Very high97.2Very high45 Ų4542.3 Ų42.346%0.46424%0.239SC..Hα-helixtrans-59-44.8174.900000112.8N50 V52 A58N50-G54 PolarHBondContact O-N 3.18Å; V52-G54 VanDerWaalsContact C-N 3.35Å; V52-G54 PolarHBondContact O-N 3.01Å; G54-A58 WeakPolarHBondContact O-CB 3.45Å; G54-A58 PolarHBondContact O-N 3.4Å
55R98Very high97.2Very high66 Ų6646.2 Ų46.225%0.24926%0.259CS..Hα-helixtrans-70.2-41.3179.2-82.768.7-178-159.63.2111.9D20 V51 V52 G53 A58 W59 V86 E89 L90 I93D20-R55 IonicContact OD1-NH1 2.7Å; D20-R55 PolarHBondContact OD1-NH1 3.3Å; V51-R55 WeakPolarHBondContact O-CD 3.45Å; V52-R55 PolarHBondContact O-N 3.49Å; G53-R55 PolarHBondContact O-N 3.19Å; R55-A58 PolarHBondContact O-N 2.93Å; R55-W59 VanDerWaalsContact O-CB 3.31Å; R55-W59 WeakPolarHBondContact O-CB 3.24Å; R55-W59 PolarHBondContact O-N 3.47Å; R55-V86 HydrophobicContact CB-CG1 4.31Å; R55-V86 HydrophobicContact CG-CG1 4.47Å; R55-V86 WeakPolarHBondContact O-CG1 3.22Å; R55-E89 HydrophobicContact CG-CB 3.93Å; R55-E89 IonicContact CZ-OE2 3.36Å; R55-E89 IonicContact NE-OE2 3.41Å; R55-E89 PolarHBondContact NE-OE2 3.38Å; R55-E89 IonicContact NH2-OE2 3.13Å; R55-E89 PolarHBondContact NH2-OE2 3.36Å; R55-L90 HydrophobicContact CB-CB 4.22Å; R55-I93 HydrophobicContact CG-CD1 4.04Å
56R97.3Very high97.1Very high30 Ų3046.3 Ų46.311%0.11326%0.255CS..Hα-helixtrans-60.6-45.1175.6-76.1178.970.6-138.99.2112V52 G53 W59 R60 L90 Y128 E131V52-R56 HydrophobicContact CG2-CG 4.32Å; V52-R56 WeakPolarHBondContact O-CG 3.23Å; V52-R56 PolarHBondContact O-N 3.48Å; G53-R56 PolarHBondContact O-N 2.93Å; R56-W59 PolarHBondContact O-N 3.29Å; R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 3.04Å; R56-L90 HydrophobicContact CB-CD1 4.46Å; R56-L90 HydrophobicContact CG-CD1 3.54Å; R56-L90 HydrophobicContact CG-CG 4.44Å; R56-Y128 VanDerWaalsContact NE-CD1 3.32Å; R56-E131 IonicContact CZ-OE1 3.5Å; R56-E131 IonicContact CZ-OE2 2.94Å; R56-E131 IonicContact NE-OE1 3.89Å; R56-E131 IonicContact NE-OE2 3.34Å; R56-E131 PolarHBondContact NE-OE2 3.15Å; R56-E131 VanDerWaalsContact NH2-CD 3.34Å; R56-E131 IonicContact NH2-OE1 3.93Å; R56-E131 PolarHBondContact NH2-OE1 3.07Å; R56-E131 IonicContact NH2-OE2 2.73Å; R56-E131 PolarHBondContact NH2-OE2 2.81Å; R56-E131 VanDerWaalsContact NH2-OE2 3.13Å
57S97.3Very high97.1Very high67 Ų6751.9 Ų51.947%0.46928%0.278SS..Hα-helixtrans-63.5-45.1176.9-66.10000111.8G53 W59 R60 V61G53-S57 WeakPolarHBondContact O-CB 3.34Å; G53-S57 PolarHBondContact O-N 2.84Å; G53-S57 PolarHBondContact O-OG 2.88Å; S57-W59 PolarHBondContact O-N 2.88Å; S57-R60 PolarHBondContact O-N 2.83Å; S57-V61 WeakPolarHBondContact O-CG2 3.33Å; S57-V61 PolarHBondContact O-N 3Å; S57-V61 VanDerWaalsContact O-N 3.17Å
58A97.9Very high97Very high38 Ų3859.9 Ų59.931%0.31431%0.313SS..Hα-helixtrans-59.8-46.3175.100000111.7G54 R55 R60 V61 I62 V86G54-A58 WeakPolarHBondContact O-CB 3.45Å; G54-A58 PolarHBondContact O-N 3.4Å; R55-A58 PolarHBondContact O-N 2.93Å; A58-R60 PolarHBondContact O-N 3.21Å; A58-V61 PolarHBondContact O-N 2.89Å; A58-I62 WeakPolarHBondContact O-CD1 3.37Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 3.31Å; A58-V86 HydrophobicContact CB-CG1 4.16Å
59W98.2Very high96.8Very high42 Ų4260.6 Ų60.616%0.15932%0.319CS..Hα-helixtrans-59.8-44.2178.8178.480.7000112.6R55 R56 S57 V61 I62 S63 V86 E87 E131 V132R55-W59 VanDerWaalsContact O-CB 3.31Å; R55-W59 WeakPolarHBondContact O-CB 3.24Å; R55-W59 PolarHBondContact O-N 3.47Å; R56-W59 PolarHBondContact O-N 3.29Å; S57-W59 PolarHBondContact O-N 2.88Å; W59-V61 PolarHBondContact O-N 3.34Å; W59-I62 PolarHBondContact O-N 3Å; W59-S63 VanDerWaalsContact CE2-OG 3.31Å; W59-S63 PolarHBondContact NE1-OG 3.37Å; W59-S63 VanDerWaalsContact O-CB 3.23Å; W59-S63 WeakPolarHBondContact O-CB 3.31Å; W59-S63 PolarHBondContact O-N 2.99Å; W59-S63 PolarHBondContact O-OG 2.89Å; W59-V86 HydrophobicContact CB-CG1 3.93Å; W59-E87 VanDerWaalsContact NE1-CG 3.32Å; W59-E87 PolarHBondContact NE1-OE1 3.5Å; W59-E131 WeakPolarHBondContact CH2-O 3.4Å; W59-V132 HydrophobicContact CD2-CG1 3.82Å; W59-V132 HydrophobicContact CE3-CG1 4.3Å; W59-V132 HydrophobicContact CG-CG1 4.19Å; W59-V132 HydrophobicContact CH2-CG1 4.37Å; W59-V132 HydrophobicContact CZ2-CB 4.43Å; W59-V132 HydrophobicContact CZ2-CG1 3.91Å
60R96.6Very high96.7Very high104 Ų10459.7 Ų59.739%0.39232%0.321SS..Hα-helixtrans-60.1-44.1176.2-74.9-175.8-178.3111.90.4112.2R56 S57 A58 S64 E131R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 3.04Å; S57-R60 PolarHBondContact O-N 2.83Å; A58-R60 PolarHBondContact O-N 3.21Å; R60-S64 WeakPolarHBondContact O-CB 3.39Å; R60-S64 PolarHBondContact O-N 3.43Å; R60-E131 IonicContact NH2-OE2 3.53Å
61V98Very high96.6Very high89 Ų8963.1 Ų63.154%0.53934%0.344SS..Hα-helixtrans-64.2-49.5178.9172.50000110.5S57 A58 W59 S63 S64 I65S57-V61 WeakPolarHBondContact O-CG2 3.33Å; S57-V61 PolarHBondContact O-N 3Å; S57-V61 VanDerWaalsContact O-N 3.17Å; A58-V61 PolarHBondContact O-N 2.89Å; W59-V61 PolarHBondContact O-N 3.34Å; V61-S63 PolarHBondContact O-N 3.48Å; V61-S64 PolarHBondContact O-N 3.35Å; V61-I65 HydrophobicContact CG1-CD1 3.92Å; V61-I65 WeakPolarHBondContact O-CG1 3.44Å; V61-I65 PolarHBondContact O-N 3.09Å
62I97.8Very high96.4Very high17 Ų1767.7 Ų67.79%0.08738%0.376CS..Hα-helixtrans-63.7-43.7-178.9-61.4159.2000110.5A58 W59 S64 I65 E66 I79 Y82 R83 V86A58-I62 WeakPolarHBondContact O-CD1 3.37Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 3.31Å; W59-I62 PolarHBondContact O-N 3Å; I62-S64 VanDerWaalsContact C-N 3.33Å; I62-S64 PolarHBondContact O-N 2.9Å; I62-I65 WeakPolarHBondContact O-CB 3.44Å; I62-I65 PolarHBondContact O-N 3.28Å; I62-I65 VanDerWaalsContact O-N 3.16Å; I62-E66 PolarHBondContact O-N 3.49Å; I62-I79 HydrophobicContact CG2-CG2 4.12Å; I62-Y82 HydrophobicContact CD1-CD1 3.43Å; I62-Y82 VanDerWaalsContact CD1-CD1 3.43Å; I62-Y82 HydrophobicContact CD1-CE1 3.52Å; I62-Y82 HydrophobicContact CD1-CG 4.46Å; I62-Y82 HydrophobicContact CG1-CD1 3.98Å; I62-Y82 HydrophobicContact CG1-CE1 4.21Å; I62-R83 HydrophobicContact CG2-CB 3.74Å; I62-R83 HydrophobicContact CG2-CG 4.48Å; I62-V86 HydrophobicContact CD1-CB 4.4Å; I62-V86 HydrophobicContact CD1-CG2 3.7Å
63S96.4Very high96.2Very high14 Ų1470.9 Ų70.910%0.09839%0.394CS..Hα-helixtrans-62.7-38.7177.4-590000112W59 V61 E66 Q67 R83W59-S63 VanDerWaalsContact CE2-OG 3.31Å; W59-S63 PolarHBondContact NE1-OG 3.37Å; W59-S63 VanDerWaalsContact O-CB 3.23Å; W59-S63 WeakPolarHBondContact O-CB 3.31Å; W59-S63 PolarHBondContact O-N 2.99Å; W59-S63 PolarHBondContact O-OG 2.89Å; V61-S63 PolarHBondContact O-N 3.48Å; S63-E66 PolarHBondContact O-N 2.94Å; S63-Q67 WeakPolarHBondContact O-CB 3.33Å; S63-Q67 VanDerWaalsContact O-CG 3.29Å; S63-Q67 WeakPolarHBondContact O-CG 3.47Å; S63-Q67 PolarHBondContact O-N 3.3Å; S63-R83 WeakPolarHBondContact OG-CD 3.28Å
64S96.7Very high96.1Very high44 Ų4479.7 Ų79.731%0.30843%0.426SS..Hα-helixtrans-66.1-37.3174.3-171.60000112.5R60 V61 I62 K68R60-S64 WeakPolarHBondContact O-CB 3.39Å; R60-S64 PolarHBondContact O-N 3.43Å; V61-S64 PolarHBondContact O-N 3.35Å; I62-S64 VanDerWaalsContact C-N 3.33Å; I62-S64 PolarHBondContact O-N 2.9Å; S64-K68 WeakPolarHBondContact O-CG 3.22Å; S64-K68 PolarHBondContact O-N 2.84Å
65I97.1Very high96Very high85 Ų8584.3 Ų84.344%0.43643%0.433SS..Hα-helixtrans-66.1-44.5174.3-67.3165.6000110.1V61 I62 Q67 K68 T69 I79V61-I65 HydrophobicContact CG1-CD1 3.92Å; V61-I65 WeakPolarHBondContact O-CG1 3.44Å; V61-I65 PolarHBondContact O-N 3.09Å; I62-I65 WeakPolarHBondContact O-CB 3.44Å; I62-I65 PolarHBondContact O-N 3.28Å; I62-I65 VanDerWaalsContact O-N 3.16Å; I65-Q67 PolarHBondContact O-N 3.01Å; I65-K68 PolarHBondContact O-N 2.89Å; I65-T69 PolarHBondContact O-N 3.49Å; I65-T69 VanDerWaalsContact O-N 3.1Å; I65-T69 PolarHBondContact O-OG1 3.4Å; I65-I79 HydrophobicContact CG2-CD1 4.11Å; I65-I79 HydrophobicContact CG2-CG2 4.47Å
66E96.4Very high95.9Very high37 Ų3782.1 Ų82.117%0.17343%0.426CS..Hα-helixtrans-57.9-48.3176.5-170.3-178.4152.200111.4I62 S63 K68 T69 L76 I79 K80 R83I62-E66 PolarHBondContact O-N 3.49Å; S63-E66 PolarHBondContact O-N 2.94Å; E66-K68 PolarHBondContact O-N 3.43Å; E66-T69 PolarHBondContact O-N 2.91Å; E66-T69 VanDerWaalsContact O-N 3.08Å; E66-L76 HydrophobicContact CG-CD1 3.94Å; E66-I79 HydrophobicContact CB-CG2 3.72Å; E66-I79 HydrophobicContact CG-CG2 4.2Å; E66-K80 HydrophobicContact CG-CG 4.24Å; E66-K80 WeakPolarHBondContact OE1-CE 3.44Å; E66-K80 VanDerWaalsContact OE1-CG 3.27Å; E66-K80 WeakPolarHBondContact OE1-CG 3.43Å; E66-R83 IonicContact OE1-NE 3.53Å; E66-R83 VanDerWaalsContact OE2-CD 3.29Å; E66-R83 WeakPolarHBondContact OE2-CD 3.29Å; E66-R83 IonicContact OE2-CZ 3.7Å; E66-R83 IonicContact OE2-NE 2.75Å; E66-R83 PolarHBondContact OE2-NE 3.35Å; E66-R83 IonicContact OE2-NH2 3.84Å
67Q94.8Very high95.8Very high166 Ų16685.9 Ų85.978%0.77645%0.445SS*.Hα-helixtrans-60.8-28178.9-75.1174.4-7.800113.7S63 I65S63-Q67 WeakPolarHBondContact O-CB 3.33Å; S63-Q67 VanDerWaalsContact O-CG 3.29Å; S63-Q67 WeakPolarHBondContact O-CG 3.47Å; S63-Q67 PolarHBondContact O-N 3.3Å; I65-Q67 PolarHBondContact O-N 3.01Å
68K95.9Very high95.8Very high167 Ų16788.5 Ų88.573%0.72645%0.453SS*.Hα-helixtrans-91.9-7.8178.6-69.8173.8-177.7170.90113.5S64 I65 E66S64-K68 WeakPolarHBondContact O-CG 3.22Å; S64-K68 PolarHBondContact O-N 2.84Å; I65-K68 PolarHBondContact O-N 2.89Å; E66-K68 PolarHBondContact O-N 3.43Å
69T95.2Very high95.8Very high28 Ų2888.1 Ų88.117%0.17245%0.446CS..SBendtrans-91.3127.1-177.5-59.90000109.7I65 E66 D73 L76 I79I65-T69 PolarHBondContact O-N 3.49Å; I65-T69 VanDerWaalsContact O-N 3.1Å; I65-T69 PolarHBondContact O-OG1 3.4Å; E66-T69 PolarHBondContact O-N 2.91Å; E66-T69 VanDerWaalsContact O-N 3.08Å; T69-D73 HydrophobicContact CG2-CB 3.67Å; T69-L76 HydrophobicContact CG2-CB 4.36Å; T69-L76 HydrophobicContact CG2-CD1 4.15Å; T69-I79 HydrophobicContact CG2-CD1 4Å
70D94.1Very high95.7Very high119 Ų11989.3 Ų89.364%0.63645%0.452SS*.  trans-58.4142.3179.1-70.3-35.5000111.8S72 D73D70-S72 PolarHBondContact O-N 3.39Å; D70-D73 WeakPolarHBondContact O-CB 3.47Å; D70-D73 PolarHBondContact O-N 3.01Å
71T93.5Very high95.8Very high135 Ų13588 Ų8883%0.82845%0.453SS*.THydrogen-bonded Turntrans-62-19.5-179.454.80000113.5
72S93.3Very high95.8Very high106 Ų10690.4 Ų90.474%0.74145%0.453SS*.THydrogen-bonded Turntrans-88.3-8.3175.953.90000114.3D70 K74D70-S72 PolarHBondContact O-N 3.39Å; S72-K74 PolarHBondContact O-N 2.96Å
73D92.8Very high95.8Very high69 Ų6991.4 Ų91.437%0.36946%0.456SS..  trans-69.6127.6179-164.9-36.5000110T69 D70 K75 L76T69-D73 HydrophobicContact CG2-CB 3.67Å; D70-D73 WeakPolarHBondContact O-CB 3.47Å; D70-D73 PolarHBondContact O-N 3.01Å; D73-K75 PolarHBondContact O-N 3.41Å; D73-K75 VanDerWaalsContact O-N 3.11Å; D73-K75 WeakPolarHBondContact OD1-CB 3.29Å; D73-K75 PolarHBondContact OD1-N 3.07Å; D73-L76 VanDerWaalsContact O-CB 3.31Å; D73-L76 WeakPolarHBondContact O-CB 3.39Å; D73-L76 PolarHBondContact O-N 3.39Å
74K93.8Very high95.8Very high206 Ų20695.5 Ų95.590%0.89647%0.473SS*.THydrogen-bonded Turntrans-60.5-21.2177.7-64.3-179.4179.4179.20112.7S72S72-K74 PolarHBondContact O-N 2.96Å
75K94.6Very high95.9Very high141 Ų14199.1 Ų99.161%0.61348%0.484SS*.THydrogen-bonded Turntrans-80.8-14.3178-63.7178-177.7174.50113.5D73 Q77 L78 I79D73-K75 PolarHBondContact O-N 3.41Å; D73-K75 VanDerWaalsContact O-N 3.11Å; D73-K75 WeakPolarHBondContact OD1-CB 3.29Å; D73-K75 PolarHBondContact OD1-N 3.07Å; K75-Q77 VanDerWaalsContact C-N 3.28Å; K75-Q77 PolarHBondContact O-N 3.07Å; K75-L78 WeakPolarHBondContact O-CB 3.45Å; K75-L78 PolarHBondContact O-N 3.33Å; K75-L78 VanDerWaalsContact O-N 3.11Å; K75-I79 HydrophobicContact CB-CD1 4.4Å; K75-I79 WeakPolarHBondContact O-CG1 3.3Å; K75-I79 PolarHBondContact O-N 2.75Å; K75-I79 VanDerWaalsContact O-N 3.08Å
76L96.1Very high96Very high20 Ų2095.4 Ų95.411%0.10547%0.465CS..Hα-helixtrans-56.7-41.7-175.1-178.268.6000112.4E66 T69 D73 L78 I79 K80E66-L76 HydrophobicContact CG-CD1 3.94Å; T69-L76 HydrophobicContact CG2-CB 4.36Å; T69-L76 HydrophobicContact CG2-CD1 4.15Å; D73-L76 VanDerWaalsContact O-CB 3.31Å; D73-L76 WeakPolarHBondContact O-CB 3.39Å; D73-L76 PolarHBondContact O-N 3.39Å; L76-L78 PolarHBondContact O-N 2.99Å; L76-I79 PolarHBondContact O-N 2.86Å; L76-K80 HydrophobicContact CG-CD 4.32Å; L76-K80 WeakPolarHBondContact O-CG 3.5Å; L76-K80 PolarHBondContact O-N 3.47Å
77Q95.9Very high96Very high110 Ų11094.9 Ų94.951%0.51446%0.462SS..Hα-helixtrans-63.5-42.9179.4-170.16043.700111.7K75 I79 K80 D81K75-Q77 VanDerWaalsContact C-N 3.28Å; K75-Q77 PolarHBondContact O-N 3.07Å; Q77-I79 VanDerWaalsContact C-N 3.27Å; Q77-I79 PolarHBondContact O-N 3.39Å; Q77-K80 WeakPolarHBondContact O-CB 3.36Å; Q77-K80 PolarHBondContact O-N 3.26Å; Q77-D81 PolarHBondContact NE2-OD1 2.88Å; Q77-D81 PolarHBondContact O-N 3.2Å
78L97Very high96.2Very high122 Ų12290.8 Ų90.864%0.63945%0.452SS*.Hα-helixtrans-60.5-39.2176177.567000111.7K75 L76 Y82K75-L78 WeakPolarHBondContact O-CB 3.45Å; K75-L78 PolarHBondContact O-N 3.33Å; K75-L78 VanDerWaalsContact O-N 3.11Å; L76-L78 PolarHBondContact O-N 2.99Å; L78-Y82 WeakPolarHBondContact O-CB 3.17Å; L78-Y82 PolarHBondContact O-N 3.36Å; L78-Y82 VanDerWaalsContact O-N 3.08Å
79I97.6Very high96.3Very high30 Ų3086 Ų8615%0.15443%0.433CS..Hα-helixtrans-65.5-45.3177.6-64.9162.8000110.2I62 I65 E66 T69 K75 L76 Q77 Y82 R83I62-I79 HydrophobicContact CG2-CG2 4.12Å; I65-I79 HydrophobicContact CG2-CD1 4.11Å; I65-I79 HydrophobicContact CG2-CG2 4.47Å; E66-I79 HydrophobicContact CB-CG2 3.72Å; E66-I79 HydrophobicContact CG-CG2 4.2Å; T69-I79 HydrophobicContact CG2-CD1 4Å; K75-I79 HydrophobicContact CB-CD1 4.4Å; K75-I79 WeakPolarHBondContact O-CG1 3.3Å; K75-I79 PolarHBondContact O-N 2.75Å; K75-I79 VanDerWaalsContact O-N 3.08Å; L76-I79 PolarHBondContact O-N 2.86Å; Q77-I79 VanDerWaalsContact C-N 3.27Å; Q77-I79 PolarHBondContact O-N 3.39Å; I79-Y82 PolarHBondContact O-N 3.36Å; I79-R83 PolarHBondContact O-N 2.79Å
80K96.9Very high96.4Very high66 Ų6684.7 Ų84.729%0.28742%0.424SS..Hα-helixtrans-60-49.4176-76.4178.6176.5-174.70112.3E66 L76 Q77 Y82 R83 E84E66-K80 HydrophobicContact CG-CG 4.24Å; E66-K80 WeakPolarHBondContact OE1-CE 3.44Å; E66-K80 VanDerWaalsContact OE1-CG 3.27Å; E66-K80 WeakPolarHBondContact OE1-CG 3.43Å; L76-K80 HydrophobicContact CG-CD 4.32Å; L76-K80 WeakPolarHBondContact O-CG 3.5Å; L76-K80 PolarHBondContact O-N 3.47Å; Q77-K80 WeakPolarHBondContact O-CB 3.36Å; Q77-K80 PolarHBondContact O-N 3.26Å; K80-Y82 PolarHBondContact O-N 2.97Å; K80-R83 WeakPolarHBondContact O-CB 3.42Å; K80-R83 PolarHBondContact O-N 2.99Å; K80-R83 VanDerWaalsContact O-N 3.11Å; K80-E84 WeakPolarHBondContact O-CG 3.33Å; K80-E84 PolarHBondContact O-N 3.44Å
81D97.7Very high96.6Very high78 Ų7882.5 Ų82.542%0.41741%0.407SS..Hα-helixtrans-58.9-38.7179-63.9-12.3000111Q77 K85Q77-D81 PolarHBondContact NE2-OD1 2.88Å; Q77-D81 PolarHBondContact O-N 3.2Å; D81-K85 PolarHBondContact O-N 2.95Å
82Y98.1Very high96.8Very high138 Ų13879.5 Ų79.554%0.54139%0.392SS..Hα-helixtrans-72.1-37.7177-163.7-120.4000112.6I62 L78 I79 K80 K85 V86I62-Y82 HydrophobicContact CD1-CD1 3.43Å; I62-Y82 VanDerWaalsContact CD1-CD1 3.43Å; I62-Y82 HydrophobicContact CD1-CE1 3.52Å; I62-Y82 HydrophobicContact CD1-CG 4.46Å; I62-Y82 HydrophobicContact CG1-CD1 3.98Å; I62-Y82 HydrophobicContact CG1-CE1 4.21Å; L78-Y82 WeakPolarHBondContact O-CB 3.17Å; L78-Y82 PolarHBondContact O-N 3.36Å; L78-Y82 VanDerWaalsContact O-N 3.08Å; I79-Y82 PolarHBondContact O-N 3.36Å; K80-Y82 PolarHBondContact O-N 2.97Å; Y82-K85 PolarHBondContact O-N 2.77Å; Y82-V86 WeakPolarHBondContact O-CG2 3.21Å; Y82-V86 PolarHBondContact O-N 2.98Å; Y82-V86 VanDerWaalsContact O-N 3.16Å
83R97.8Very high97.1Very high39 Ų3975.3 Ų75.315%0.14736%0.361CS..Hα-helixtrans-58.2-51171.1-177.3-175.35068.612.3110.4I62 S63 E66 I79 K80 K85 V86 E87I62-R83 HydrophobicContact CG2-CB 3.74Å; I62-R83 HydrophobicContact CG2-CG 4.48Å; S63-R83 WeakPolarHBondContact OG-CD 3.28Å; E66-R83 IonicContact OE1-NE 3.53Å; E66-R83 VanDerWaalsContact OE2-CD 3.29Å; E66-R83 WeakPolarHBondContact OE2-CD 3.29Å; E66-R83 IonicContact OE2-CZ 3.7Å; E66-R83 IonicContact OE2-NE 2.75Å; E66-R83 PolarHBondContact OE2-NE 3.35Å; E66-R83 IonicContact OE2-NH2 3.84Å; I79-R83 PolarHBondContact O-N 2.79Å; K80-R83 WeakPolarHBondContact O-CB 3.42Å; K80-R83 PolarHBondContact O-N 2.99Å; K80-R83 VanDerWaalsContact O-N 3.11Å; R83-K85 VanDerWaalsContact C-N 3.3Å; R83-K85 PolarHBondContact O-N 2.98Å; R83-V86 PolarHBondContact O-N 2.99Å; R83-V86 VanDerWaalsContact O-N 3.08Å; R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 IonicContact CZ-OE1 3.71Å; R83-E87 IonicContact NH1-OE1 2.66Å; R83-E87 PolarHBondContact NH1-OE1 3.43Å; R83-E87 IonicContact NH1-OE2 3.93Å; R83-E87 PolarHBondContact NH1-OE2 3.49Å; R83-E87 WeakPolarHBondContact O-CG 3.3Å; R83-E87 PolarHBondContact O-N 3.36Å
84E97.5Very high97.3Very high99 Ų9972 Ų7246%0.46334%0.343SS..Hα-helixtrans-62.1-36.4-178.5-72.3175.4-17100112.2K80 E87 S88K80-E84 WeakPolarHBondContact O-CG 3.33Å; K80-E84 PolarHBondContact O-N 3.44Å; E84-E87 PolarHBondContact O-N 3.47Å; E84-S88 PolarHBondContact O-N 3.27Å
85K98.4Very high97.5Very high121 Ų12165.4 Ų65.453%0.52632%0.32SS..Hα-helixtrans-59.6-47.5171.4-179.5176177.7174.90111.9D81 Y82 R83 E87 S88 E89D81-K85 PolarHBondContact O-N 2.95Å; Y82-K85 PolarHBondContact O-N 2.77Å; R83-K85 VanDerWaalsContact C-N 3.3Å; R83-K85 PolarHBondContact O-N 2.98Å; K85-E87 VanDerWaalsContact C-N 3.34Å; K85-S88 PolarHBondContact O-N 2.88Å; K85-E89 PolarHBondContact O-N 3.44Å; K85-E89 VanDerWaalsContact O-N 3.12Å
86V98.1Very high97.7Very high7 Ų760 Ų604%0.04230%0.299CS..Hα-helixtrans-66.7-37.4178.7176.80000111.3R55 A58 W59 I62 Y82 R83 S88 E89 L90R55-V86 HydrophobicContact CB-CG1 4.31Å; R55-V86 HydrophobicContact CG-CG1 4.47Å; R55-V86 WeakPolarHBondContact O-CG1 3.22Å; A58-V86 HydrophobicContact CB-CG1 4.16Å; W59-V86 HydrophobicContact CB-CG1 3.93Å; I62-V86 HydrophobicContact CD1-CB 4.4Å; I62-V86 HydrophobicContact CD1-CG2 3.7Å; Y82-V86 WeakPolarHBondContact O-CG2 3.21Å; Y82-V86 PolarHBondContact O-N 2.98Å; Y82-V86 VanDerWaalsContact O-N 3.16Å; R83-V86 PolarHBondContact O-N 2.99Å; R83-V86 VanDerWaalsContact O-N 3.08Å; V86-S88 VanDerWaalsContact C-N 3.35Å; V86-E89 PolarHBondContact O-N 2.68Å; V86-L90 WeakPolarHBondContact O-CB 3.3Å; V86-L90 PolarHBondContact O-N 2.66Å
87E98Very high97.8Very high25 Ų2559.2 Ų59.212%0.11730%0.295CS..Hα-helixtrans-61.2-42.5172.9-71.6178.2-179.900111.9W59 R83 E84 K85 E89 L90 R91 V132W59-E87 VanDerWaalsContact NE1-CG 3.32Å; W59-E87 PolarHBondContact NE1-OE1 3.5Å; R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 IonicContact CZ-OE1 3.71Å; R83-E87 IonicContact NH1-OE1 2.66Å; R83-E87 PolarHBondContact NH1-OE1 3.43Å; R83-E87 IonicContact NH1-OE2 3.93Å; R83-E87 PolarHBondContact NH1-OE2 3.49Å; R83-E87 WeakPolarHBondContact O-CG 3.3Å; R83-E87 PolarHBondContact O-N 3.36Å; E84-E87 PolarHBondContact O-N 3.47Å; K85-E87 VanDerWaalsContact C-N 3.34Å; E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.16Å; E87-L90 PolarHBondContact O-N 2.9Å; E87-R91 WeakPolarHBondContact O-CB 3.23Å; E87-R91 VanDerWaalsContact O-CG 3.25Å; E87-R91 WeakPolarHBondContact O-CG 3.31Å; E87-R91 PolarHBondContact O-N 2.88Å; E87-V132 HydrophobicContact CG-CB 4.07Å; E87-V132 HydrophobicContact CG-CG1 4.24Å
88S98Very high98Very high80 Ų8054.6 Ų54.656%0.55927%0.274SS*.Hα-helixtrans-62-39.8176.2-175.20000112.1E84 K85 V86 S92E84-S88 PolarHBondContact O-N 3.27Å; K85-S88 PolarHBondContact O-N 2.88Å; V86-S88 VanDerWaalsContact C-N 3.35Å; S88-S92 WeakPolarHBondContact O-CB 3.42Å; S88-S92 PolarHBondContact O-N 3Å
89E98.3Very high98Very high68 Ų6854.5 Ų54.532%0.31827%0.27SS..Hα-helixtrans-64.4-46.8174.2-69.3-177.9-15500111.3R55 K85 V86 E87 R91 S92 I93R55-E89 HydrophobicContact CG-CB 3.93Å; R55-E89 IonicContact CZ-OE2 3.36Å; R55-E89 IonicContact NE-OE2 3.41Å; R55-E89 PolarHBondContact NE-OE2 3.38Å; R55-E89 IonicContact NH2-OE2 3.13Å; R55-E89 PolarHBondContact NH2-OE2 3.36Å; K85-E89 PolarHBondContact O-N 3.44Å; K85-E89 VanDerWaalsContact O-N 3.12Å; V86-E89 PolarHBondContact O-N 2.68Å; E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.16Å; E89-R91 PolarHBondContact O-N 2.85Å; E89-S92 PolarHBondContact O-N 3.39Å; E89-I93 WeakPolarHBondContact O-CD1 3.46Å; E89-I93 VanDerWaalsContact O-CG1 3.29Å; E89-I93 WeakPolarHBondContact O-CG1 3.4Å; E89-I93 PolarHBondContact O-N 3.25Å
90L97.7Very high98.1Very high0 Ų053.3 Ų53.30%026%0.264CS..Hα-helixtrans-59.6-47.6178.1-173.4157.9000111.3V52 R55 R56 V86 E87 S92 I93 C94 V132V52-L90 HydrophobicContact CG2-CG 4.39Å; R55-L90 HydrophobicContact CB-CB 4.22Å; R56-L90 HydrophobicContact CB-CD1 4.46Å; R56-L90 HydrophobicContact CG-CD1 3.54Å; R56-L90 HydrophobicContact CG-CG 4.44Å; V86-L90 WeakPolarHBondContact O-CB 3.3Å; V86-L90 PolarHBondContact O-N 2.66Å; E87-L90 PolarHBondContact O-N 2.9Å; L90-S92 PolarHBondContact O-N 2.97Å; L90-I93 PolarHBondContact O-N 3.27Å; L90-C94 PolarHBondContact O-N 2.96Å; L90-C94 PolarHBondContact O-SG 3.13Å; L90-V132 HydrophobicContact CD1-CG1 4Å; L90-V132 HydrophobicContact CD2-CG1 4.36Å; L90-V132 HydrophobicContact CD2-CG2 4.01Å
91R97.8Very high98.2Very high72 Ų7250.1 Ų50.127%0.27225%0.25SS..Hα-helixtrans-59.5-45.9177.4-73.9173.3-177.4-91.33.6111E87 E89 I93 C94 T95 L129 V132 D137E87-R91 WeakPolarHBondContact O-CB 3.23Å; E87-R91 VanDerWaalsContact O-CG 3.25Å; E87-R91 WeakPolarHBondContact O-CG 3.31Å; E87-R91 PolarHBondContact O-N 2.88Å; E89-R91 PolarHBondContact O-N 2.85Å; R91-I93 PolarHBondContact O-N 3.48Å; R91-C94 PolarHBondContact O-N 2.91Å; R91-T95 WeakPolarHBondContact O-CB 3.4Å; R91-T95 PolarHBondContact O-N 3.29Å; R91-T95 PolarHBondContact O-OG1 2.9Å; R91-L129 HydrophobicContact CB-CD2 4.17Å; R91-L129 HydrophobicContact CG-CD2 3.81Å; R91-V132 HydrophobicContact CG-CG2 4.24Å; R91-V132 PolarHBondContact NH2-O 3.42Å; R91-D137 IonicContact CZ-OD2 3.66Å; R91-D137 IonicContact NH1-OD2 2.68Å; R91-D137 PolarHBondContact NH1-OD2 3.5Å; R91-D137 IonicContact NH2-OD2 3.78Å
92S98.3Very high98.2Very high73 Ų7349.8 Ų49.851%0.5125%0.249SC..Hα-helixtrans-59.4-43.7177.2-178.10000112.8S88 E89 L90 T96S88-S92 WeakPolarHBondContact O-CB 3.42Å; S88-S92 PolarHBondContact O-N 3Å; E89-S92 PolarHBondContact O-N 3.39Å; L90-S92 PolarHBondContact O-N 2.97Å; S92-T96 WeakPolarHBondContact O-CB 3.47Å; S92-T96 PolarHBondContact O-N 3.42Å; S92-T96 PolarHBondContact O-OG1 3.17Å
93I98.3Very high98.2Very high18 Ų1849.9 Ų49.99%0.09225%0.252CS..Hα-helixtrans-62.5-46.7175.6-65.8156.8000110.4Y48 V51 V52 R55 E89 L90 R91 T96 V97Y48-I93 HydrophobicContact CD1-CG2 4.2Å; V51-I93 HydrophobicContact CG1-CD1 3.7Å; V51-I93 HydrophobicContact CG1-CG1 3.95Å; V51-I93 HydrophobicContact CG1-CG2 4.15Å; V52-I93 HydrophobicContact CB-CG2 3.98Å; V52-I93 HydrophobicContact CG2-CG2 4.24Å; R55-I93 HydrophobicContact CG-CD1 4.04Å; E89-I93 WeakPolarHBondContact O-CD1 3.46Å; E89-I93 VanDerWaalsContact O-CG1 3.29Å; E89-I93 WeakPolarHBondContact O-CG1 3.4Å; E89-I93 PolarHBondContact O-N 3.25Å; L90-I93 PolarHBondContact O-N 3.27Å; R91-I93 PolarHBondContact O-N 3.48Å; I93-T96 PolarHBondContact O-N 3.36Å; I93-V97 WeakPolarHBondContact O-CG2 3.3Å; I93-V97 PolarHBondContact O-N 3.2Å; I93-V97 VanDerWaalsContact O-N 3.07Å
94C98.3Very high98.2Very high0 Ų050.2 Ų50.20%025%0.253CS..Hα-helixtrans-64.7-45.4-179.5-63.40000112L90 R91 T96 V97 L98 Y125 L129L90-C94 PolarHBondContact O-N 2.96Å; L90-C94 PolarHBondContact O-SG 3.13Å; R91-C94 PolarHBondContact O-N 2.91Å; C94-T96 VanDerWaalsContact C-N 3.31Å; C94-T96 PolarHBondContact O-N 2.79Å; C94-V97 PolarHBondContact O-N 3.27Å; C94-L98 WeakPolarHBondContact O-CB 3.44Å; C94-L98 VanDerWaalsContact O-CG 3.24Å; C94-L98 WeakPolarHBondContact O-CG 3.46Å; C94-L98 PolarHBondContact O-N 3.31Å; C94-Y125 HydrophobicContact CB-CD1 4.1Å; C94-L129 HydrophobicContact CB-CD1 4.07Å; C94-L129 HydrophobicContact CB-CD2 3.66Å; C94-L129 HydrophobicContact CB-CG 3.66Å
95T98.2Very high98.2Very high66 Ų6645.8 Ų45.841%0.40523%0.233SC..Hα-helixtrans-57.7-44.8175.1-59.90000111.1R91 V97 L98 E99R91-T95 WeakPolarHBondContact O-CB 3.4Å; R91-T95 PolarHBondContact O-N 3.29Å; R91-T95 PolarHBondContact O-OG1 2.9Å; T95-V97 VanDerWaalsContact C-N 3.32Å; T95-V97 PolarHBondContact O-N 2.97Å; T95-L98 PolarHBondContact O-N 3.46Å; T95-E99 HydrophobicContact CG2-CG 4.36Å; T95-E99 WeakPolarHBondContact O-CB 3.27Å; T95-E99 WeakPolarHBondContact O-CG 3.31Å; T95-E99 PolarHBondContact O-N 3.42Å
96T98.4Very high98.2Very high29 Ų2942 Ų4218%0.17822%0.218CC..Hα-helixtrans-57.8-45.3176.8-60.70000111.6K27 Y48 S92 I93 C94 L100K27-T96 HydrophobicContact CD-CG2 4.04Å; Y48-T96 HydrophobicContact CE1-CG2 4.31Å; Y48-T96 WeakPolarHBondContact OH-CG2 3.32Å; S92-T96 WeakPolarHBondContact O-CB 3.47Å; S92-T96 PolarHBondContact O-N 3.42Å; S92-T96 PolarHBondContact O-OG1 3.17Å; I93-T96 PolarHBondContact O-N 3.36Å; C94-T96 VanDerWaalsContact C-N 3.31Å; C94-T96 PolarHBondContact O-N 2.79Å; T96-L100 WeakPolarHBondContact O-CG 3.46Å; T96-L100 PolarHBondContact O-N 2.97Å; T96-L100 VanDerWaalsContact O-N 3.1Å
97V98.5Very high98.1Very high3 Ų345 Ų452%0.01824%0.243CC..Hα-helixtrans-68.3-42.9179.9173.30000111.6Y48 I93 C94 T95 E99 L100 L101 M121 Y125Y48-V97 HydrophobicContact CD1-CG2 3.27Å; Y48-V97 HydrophobicContact CD2-CG2 3.99Å; Y48-V97 HydrophobicContact CE1-CG2 3.63Å; Y48-V97 HydrophobicContact CE2-CG2 4.3Å; Y48-V97 HydrophobicContact CG-CG2 3.46Å; Y48-V97 VanDerWaalsContact CG-CG2 3.46Å; I93-V97 WeakPolarHBondContact O-CG2 3.3Å; I93-V97 PolarHBondContact O-N 3.2Å; I93-V97 VanDerWaalsContact O-N 3.07Å; C94-V97 PolarHBondContact O-N 3.27Å; T95-V97 VanDerWaalsContact C-N 3.32Å; T95-V97 PolarHBondContact O-N 2.97Å; V97-E99 VanDerWaalsContact C-N 3.33Å; V97-E99 PolarHBondContact O-N 3.1Å; V97-L100 PolarHBondContact O-N 3.49Å; V97-L101 HydrophobicContact CG1-CD1 3.75Å; V97-L101 HydrophobicContact CG1-CG 4.25Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 VanDerWaalsContact O-CG 3.28Å; V97-L101 WeakPolarHBondContact O-CG 3.33Å; V97-L101 PolarHBondContact O-N 3.14Å; V97-M121 HydrophobicContact CG1-CE 3.83Å; V97-Y125 HydrophobicContact CB-CD1 3.86Å; V97-Y125 HydrophobicContact CB-CD2 4.27Å; V97-Y125 HydrophobicContact CB-CE1 3.91Å; V97-Y125 HydrophobicContact CB-CE2 4.36Å; V97-Y125 HydrophobicContact CB-CG 4.05Å; V97-Y125 HydrophobicContact CG1-CD1 4.01Å; V97-Y125 HydrophobicContact CG1-CD2 3.49Å; V97-Y125 VanDerWaalsContact CG1-CD2 3.49Å; V97-Y125 HydrophobicContact CG1-CE1 4.06Å; V97-Y125 HydrophobicContact CG1-CE2 3.59Å; V97-Y125 HydrophobicContact CG1-CG 3.73Å; V97-Y125 HydrophobicContact CG2-CD1 4.13Å; V97-Y125 HydrophobicContact CG2-CE1 3.66Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å
98L98.6Very high98Very high13 Ų1347 Ų477%0.06826%0.255CS..Hα-helixtrans-62.9-40.1178.3-69.2170.2000111.6C94 T95 L101 D102 K122 F126 L129C94-L98 WeakPolarHBondContact O-CB 3.44Å; C94-L98 VanDerWaalsContact O-CG 3.24Å; C94-L98 WeakPolarHBondContact O-CG 3.46Å; C94-L98 PolarHBondContact O-N 3.31Å; T95-L98 PolarHBondContact O-N 3.46Å; L98-L101 HydrophobicContact CD2-CD1 4.45Å; L98-L101 PolarHBondContact O-N 3.07Å; L98-D102 PolarHBondContact O-N 3.5Å; L98-K122 HydrophobicContact CD2-CB 4.5Å; L98-K122 HydrophobicContact CD2-CG 3.89Å; L98-F126 HydrophobicContact CD1-CD1 3.87Å; L98-F126 HydrophobicContact CD1-CD2 4.35Å; L98-F126 HydrophobicContact CD1-CE1 3.62Å; L98-F126 HydrophobicContact CD1-CE2 4.13Å; L98-F126 HydrophobicContact CD1-CG 4.21Å; L98-F126 HydrophobicContact CD1-CZ 3.76Å; L98-F126 HydrophobicContact CD2-CD2 3.66Å; L98-F126 HydrophobicContact CD2-CE2 3.54Å; L98-F126 HydrophobicContact CD2-CG 4.2Å; L98-F126 HydrophobicContact CD2-CZ 4Å; L98-F126 HydrophobicContact CG-CE2 4.42Å; L98-F126 HydrophobicContact CG-CZ 4.42Å; L98-L129 HydrophobicContact CD1-CD1 3.59Å
99E98.3Very high97.9Very high119 Ų11943.7 Ų43.756%0.55623%0.232SC*.Hα-helixtrans-62.2-43.4173-75.5177.6178.800112.1T95 V97 L101 K103T95-E99 HydrophobicContact CG2-CG 4.36Å; T95-E99 WeakPolarHBondContact O-CB 3.27Å; T95-E99 WeakPolarHBondContact O-CG 3.31Å; T95-E99 PolarHBondContact O-N 3.42Å; V97-E99 VanDerWaalsContact C-N 3.33Å; V97-E99 PolarHBondContact O-N 3.1Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.22Å; E99-K103 WeakPolarHBondContact O-CB 3.47Å; E99-K103 PolarHBondContact O-N 3.1Å
100L98.5Very high97.8Very high5 Ų545.5 Ų45.53%0.02625%0.248CC..Hα-helixtrans-62-42.6175.5-72.1177.8000111.8K27 T30 E31 L44 Y48 T96 V97 Y104 L105K27-L100 HydrophobicContact CB-CD1 4.26Å; K27-L100 HydrophobicContact CG-CD1 4.1Å; K27-L100 HydrophobicContact CG-CD2 4.19Å; T30-L100 HydrophobicContact CG2-CB 4.32Å; T30-L100 HydrophobicContact CG2-CD2 3.93Å; E31-L100 HydrophobicContact CG-CD2 3.89Å; L44-L100 HydrophobicContact CD1-CD1 4.48Å; Y48-L100 HydrophobicContact CE2-CD1 3.94Å; T96-L100 WeakPolarHBondContact O-CG 3.46Å; T96-L100 PolarHBondContact O-N 2.97Å; T96-L100 VanDerWaalsContact O-N 3.1Å; V97-L100 PolarHBondContact O-N 3.49Å; L100-Y104 HydrophobicContact CD2-CD2 4.05Å; L100-Y104 HydrophobicContact CD2-CE2 4.25Å; L100-Y104 PolarHBondContact O-N 3.33Å; L100-Y104 VanDerWaalsContact O-N 3.1Å; L100-L105 PolarHBondContact O-N 2.9Å; L100-L105 VanDerWaalsContact O-N 3.14Å
101L98.5Very high97.7Very high0 Ų048.2 Ų48.20%026%0.262CS..Iπ-helixtrans-62.5-53.3179-74.6165.9000111.3V97 L98 E99 L105 I106 Y118 M121 K122V97-L101 HydrophobicContact CG1-CD1 3.75Å; V97-L101 HydrophobicContact CG1-CG 4.25Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 VanDerWaalsContact O-CG 3.28Å; V97-L101 WeakPolarHBondContact O-CG 3.33Å; V97-L101 PolarHBondContact O-N 3.14Å; L98-L101 HydrophobicContact CD2-CD1 4.45Å; L98-L101 PolarHBondContact O-N 3.07Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.22Å; L101-L105 HydrophobicContact CD2-CB 4.33Å; L101-L105 HydrophobicContact CD2-CD1 3.85Å; L101-L105 HydrophobicContact CG-CD1 4.38Å; L101-L105 PolarHBondContact O-N 3.1Å; L101-I106 HydrophobicContact CB-CD1 4.03Å; L101-I106 HydrophobicContact CB-CG1 4.38Å; L101-I106 WeakPolarHBondContact O-CB 3.4Å; L101-I106 WeakPolarHBondContact O-CG1 3.46Å; L101-I106 PolarHBondContact O-N 3.07Å; L101-Y118 HydrophobicContact CD2-CD1 3.81Å; L101-Y118 HydrophobicContact CD2-CG 4.15Å; L101-M121 HydrophobicContact CD1-CB 4.19Å; L101-M121 HydrophobicContact CD1-CG 4.09Å; L101-M121 HydrophobicContact CD2-CB 4.16Å; L101-M121 HydrophobicContact CD2-CG 4.36Å; L101-M121 HydrophobicContact CD2-SD 4.12Å; L101-K122 HydrophobicContact CD1-CB 4.04Å
102D98.1Very high97.7Very high71 Ų7147.2 Ų47.238%0.3827%0.265SS..Iπ-helixtrans-72.2-38.8-174.7-75.7-22.1000112.6L98 K122L98-D102 PolarHBondContact O-N 3.5Å; D102-K122 VanDerWaalsContact OD1-CE 3.3Å; D102-K122 WeakPolarHBondContact OD1-CE 3.33Å; D102-K122 IonicContact OD1-NZ 2.67Å; D102-K122 PolarHBondContact OD1-NZ 2.97Å; D102-K122 IonicContact OD2-NZ 3.03Å; D102-K122 PolarHBondContact OD2-NZ 2.77Å
103K97.9Very high97.6Very high139 Ų13946.1 Ų46.160%0.60425%0.252SS*.Iπ-helixtrans-82.9-32-174.4-171.8174.5174.5-164.20114E99E99-K103 WeakPolarHBondContact O-CB 3.47Å; E99-K103 PolarHBondContact O-N 3.1Å
104Y98.1Very high97.5Very high46 Ų4645.3 Ų45.318%0.1825%0.248CC..Iπ-helixtrans-125.4-45.9-170.9-56.9-82.5000113.5T30 E31 L100 N108T30-Y104 HydrophobicContact CG2-CD2 4.42Å; T30-Y104 HydrophobicContact CG2-CG 4.3Å; E31-Y104 HydrophobicContact CG-CE2 3.97Å; L100-Y104 HydrophobicContact CD2-CD2 4.05Å; L100-Y104 HydrophobicContact CD2-CE2 4.25Å; L100-Y104 PolarHBondContact O-N 3.33Å; L100-Y104 VanDerWaalsContact O-N 3.1Å; Y104-N108 VanDerWaalsContact O-CB 3.24Å; Y104-N108 WeakPolarHBondContact O-CB 3.46Å; Y104-N108 VanDerWaalsContact O-CG 3.31Å; Y104-N108 PolarHBondContact O-N 3.4Å; Y104-N108 PolarHBondContact O-ND2 2.91Å
105L98.2Very high97.5Very high7 Ų749.5 Ų49.54%0.03727%0.266CS..Iπ-helixtrans-85.5-56.2-166.4-58.3169.7000112.7T30 L36 L44 L100 L101 A107 N108 A109 Y118T30-L105 HydrophobicContact CG2-CD1 4.14Å; T30-L105 HydrophobicContact CG2-CD2 3.56Å; T30-L105 HydrophobicContact CG2-CG 3.74Å; L36-L105 HydrophobicContact CD1-CD2 3.61Å; L36-L105 HydrophobicContact CG-CD2 3.77Å; L44-L105 HydrophobicContact CD2-CD1 3.48Å; L44-L105 VanDerWaalsContact CD2-CD1 3.48Å; L100-L105 PolarHBondContact O-N 2.9Å; L100-L105 VanDerWaalsContact O-N 3.14Å; L101-L105 HydrophobicContact CD2-CB 4.33Å; L101-L105 HydrophobicContact CD2-CD1 3.85Å; L101-L105 HydrophobicContact CG-CD1 4.38Å; L101-L105 PolarHBondContact O-N 3.1Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-N108 PolarHBondContact O-N 3.46Å; L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-Y118 HydrophobicContact CB-CD1 3.79Å; L105-Y118 HydrophobicContact CB-CD2 3.88Å; L105-Y118 HydrophobicContact CB-CE1 3.78Å; L105-Y118 HydrophobicContact CB-CE2 3.88Å; L105-Y118 HydrophobicContact CB-CG 3.86Å; L105-Y118 HydrophobicContact CD1-CD1 4.03Å; L105-Y118 HydrophobicContact CD1-CE1 3.85Å; L105-Y118 HydrophobicContact CD2-CE1 3.98Å; L105-Y118 HydrophobicContact CG-CD1 4.4Å; L105-Y118 HydrophobicContact CG-CE1 4.08Å
106I97.9Very high97.5Very high41 Ų4146.4 Ų46.421%0.2125%0.247CC..Hα-helixtrans-64.5-42.6178.1-63.8172.7000109.8L101 N108 A109 L119 K122L101-I106 HydrophobicContact CB-CD1 4.03Å; L101-I106 HydrophobicContact CB-CG1 4.38Å; L101-I106 WeakPolarHBondContact O-CB 3.4Å; L101-I106 WeakPolarHBondContact O-CG1 3.46Å; L101-I106 PolarHBondContact O-N 3.07Å; I106-N108 VanDerWaalsContact C-N 3.26Å; I106-N108 PolarHBondContact O-N 2.93Å; I106-A109 PolarHBondContact O-N 3.41Å; I106-L119 HydrophobicContact CD1-CD2 4.26Å; I106-K122 HydrophobicContact CD1-CB 4.22Å; I106-K122 HydrophobicContact CD1-CD 3.66Å
107A96.7Very high97.5Very high69 Ų6946.1 Ų46.157%0.5724%0.244SC*.Hα-helixtrans-60.4-33.2179.800000113.4L105L105-A107 VanDerWaalsContact C-N 3.34Å
108N95.3Very high97.5Very high68 Ų6846 Ų4636%0.36424%0.243SC..Hα-helixtrans-103.63.1-178.6-64.2-43.5000113.9G33 Y104 L105 I106 T110G33-N108 PolarHBondContact O-ND2 2.79Å; Y104-N108 VanDerWaalsContact O-CB 3.24Å; Y104-N108 WeakPolarHBondContact O-CB 3.46Å; Y104-N108 VanDerWaalsContact O-CG 3.31Å; Y104-N108 PolarHBondContact O-N 3.4Å; Y104-N108 PolarHBondContact O-ND2 2.91Å; L105-N108 PolarHBondContact O-N 3.46Å; I106-N108 VanDerWaalsContact C-N 3.26Å; I106-N108 PolarHBondContact O-N 2.93Å; N108-T110 PolarHBondContact O-N 2.86Å
109A96.9Very high97.5Very high10 Ų1045.6 Ų45.68%0.08324%0.241CC..  trans-68.5115.1-176.900000111.5L105 I106 K115 Y118L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 3.49Å; I106-A109 PolarHBondContact O-N 3.41Å; A109-K115 HydrophobicContact CB-CG 3.62Å; A109-K115 WeakPolarHBondContact O-CE 3.4Å; A109-Y118 HydrophobicContact CB-CD2 4.04Å; A109-Y118 HydrophobicContact CB-CE2 4.29Å
110T95.9Very high97.5Very high107 Ų10741.8 Ų41.866%0.65622%0.222SC*.  trans-92.1-31.1-173.456.60000113.6E35 N108E35-T110 PolarHBondContact OE1-N 3.5Å; E35-T110 PolarHBondContact OE1-OG1 2.9Å; E35-T110 WeakPolarHBondContact OE2-CB 3.13Å; E35-T110 VanDerWaalsContact OE2-CG2 3.24Å; E35-T110 WeakPolarHBondContact OE2-CG2 3.36Å; E35-T110 PolarHBondContact OE2-OG1 2.07Å; N108-T110 PolarHBondContact O-N 2.86Å
111N95.8Very high97.5Very high56 Ų5641.9 Ų41.930%0.29922%0.222SC..SBendtrans-111.5157.5-176.167.774.8000112.3E113 S114 K115N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact O-N 3.45Å; N111-E113 WeakPolarHBondContact OD1-CB 3.46Å; N111-E113 PolarHBondContact OD1-N 3.19Å; N111-E113 VanDerWaalsContact OD1-N 3.15Å; N111-S114 PolarHBondContact ND2-OG 3.02Å; N111-S114 VanDerWaalsContact ND2-OG 3.15Å; N111-S114 PolarHBondContact O-N 2.81Å; N111-S114 PolarHBondContact OD1-N 3.4Å; N111-S114 PolarHBondContact OD1-OG 2.75Å; N111-K115 WeakPolarHBondContact O-CG 3.38Å; N111-K115 PolarHBondContact O-N 2.83Å
112P96.7Very high97.5Very high51 Ų5144 Ų4433%0.33123%0.232SC..Hα-helixtrans-59.5-36.4-179.1-24.834.8000113.7K115 V116 I155 E159P112-K115 PolarHBondContact O-N 2.87Å; P112-V116 VanDerWaalsContact O-CG2 3.28Å; P112-V116 WeakPolarHBondContact O-CG2 3.43Å; P112-V116 PolarHBondContact O-N 3.39Å; P112-I155 HydrophobicContact CB-CG2 4.2Å; P112-E159 HydrophobicContact CB-CB 3.67Å; P112-E159 HydrophobicContact CB-CG 4.11Å; P112-E159 HydrophobicContact CG-CB 3.94Å; P112-E159 HydrophobicContact CG-CG 4.11Å
113E96.2Very high97.5Very high50 Ų5040.7 Ų40.723%0.23421%0.214CC..Hα-helixtrans-62.5-48.7-179.3-171.1-167.7117.300111.6N38 R41 N111 K115 V116 F117 M160 H164 I166N38-E113 PolarHBondContact ND2-OE1 3.49Å; R41-E113 IonicContact CZ-OE1 2.74Å; R41-E113 IonicContact NH1-OE1 2.77Å; R41-E113 PolarHBondContact NH1-OE1 3.19Å; R41-E113 VanDerWaalsContact NH1-OE1 3.13Å; R41-E113 IonicContact NH2-OE1 3.13Å; R41-E113 PolarHBondContact NH2-OE1 2.9Å; N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact O-N 3.45Å; N111-E113 WeakPolarHBondContact OD1-CB 3.46Å; N111-E113 PolarHBondContact OD1-N 3.19Å; N111-E113 VanDerWaalsContact OD1-N 3.15Å; E113-K115 PolarHBondContact O-N 3.5Å; E113-V116 PolarHBondContact O-N 2.87Å; E113-F117 VanDerWaalsContact O-CB 3.31Å; E113-F117 WeakPolarHBondContact O-CB 2.93Å; E113-F117 PolarHBondContact O-N 3.38Å; E113-M160 HydrophobicContact CG-CE 4.31Å; E113-H164 IonicContact OE2-NE2 3.61Å; E113-I166 HydrophobicContact CG-CD1 3.4Å; E113-I166 VanDerWaalsContact CG-CD1 3.4Å
114S97.4Very high97.5Very high1 Ų134.5 Ų34.51%0.00719%0.187CC..Hα-helixtrans-58.1-46.3173.8-72.10000111.5E35 N111 F117 Y118E35-S114 PolarHBondContact OE1-OG 2.92Å; N111-S114 PolarHBondContact ND2-OG 3.02Å; N111-S114 VanDerWaalsContact ND2-OG 3.15Å; N111-S114 PolarHBondContact O-N 2.81Å; N111-S114 PolarHBondContact OD1-N 3.4Å; N111-S114 PolarHBondContact OD1-OG 2.75Å; S114-F117 PolarHBondContact O-N 3.45Å; S114-Y118 WeakPolarHBondContact O-CD2 3.49Å; S114-Y118 PolarHBondContact O-N 3.41Å
115K97.8Very high97.6Very high89 Ų8932.6 Ų32.639%0.38718%0.18SC..Hα-helixtrans-59.9-50.6179.6-72.1179.8-178.9-177.50111.8A109 N111 P112 E113 F117 Y118 L119 I155A109-K115 HydrophobicContact CB-CG 3.62Å; A109-K115 WeakPolarHBondContact O-CE 3.4Å; N111-K115 WeakPolarHBondContact O-CG 3.38Å; N111-K115 PolarHBondContact O-N 2.83Å; P112-K115 PolarHBondContact O-N 2.87Å; E113-K115 PolarHBondContact O-N 3.5Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 2.92Å; K115-Y118 PolarHBondContact O-N 3.1Å; K115-L119 WeakPolarHBondContact O-CB 3.45Å; K115-L119 WeakPolarHBondContact O-CG 3.4Å; K115-L119 PolarHBondContact O-N 3.09Å; K115-I155 HydrophobicContact CB-CD1 4.46Å
116V98.4Very high97.6Very high0 Ų033.3 Ų33.30%018%0.183CC..Hα-helixtrans-62.3-42.2179.2175.50000110.6P112 E113 K120 A152 I155 M160 I166 L170P112-V116 VanDerWaalsContact O-CG2 3.28Å; P112-V116 WeakPolarHBondContact O-CG2 3.43Å; P112-V116 PolarHBondContact O-N 3.39Å; E113-V116 PolarHBondContact O-N 2.87Å; V116-K120 WeakPolarHBondContact O-CB 3.22Å; V116-K120 PolarHBondContact O-N 3.41Å; V116-A152 HydrophobicContact CG1-CB 4.36Å; V116-I155 HydrophobicContact CG2-CB 3.81Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; V116-M160 HydrophobicContact CB-SD 3.95Å; V116-M160 HydrophobicContact CG1-SD 3.96Å; V116-M160 HydrophobicContact CG2-SD 3.8Å; V116-I166 HydrophobicContact CB-CG2 4.23Å; V116-I166 HydrophobicContact CG1-CG2 3.63Å; V116-L170 HydrophobicContact CG1-CD2 3.97Å
117F97.6Very high97.6Very high24 Ų2432 Ų3211%0.10518%0.175CC..Hα-helixtrans-60-49.4177.6-173.1-79.1000112.1R41 E113 S114 K115 M121 I166R41-F117 HydrophobicContact CG-CD1 3.55Å; R41-F117 HydrophobicContact CG-CD2 4.49Å; R41-F117 HydrophobicContact CG-CE1 3.34Å; R41-F117 HydrophobicContact CG-CE2 4.31Å; R41-F117 HydrophobicContact CG-CG 4.14Å; R41-F117 HydrophobicContact CG-CZ 3.75Å; E113-F117 VanDerWaalsContact O-CB 3.31Å; E113-F117 WeakPolarHBondContact O-CB 2.93Å; E113-F117 PolarHBondContact O-N 3.38Å; S114-F117 PolarHBondContact O-N 3.45Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 2.92Å; F117-M121 HydrophobicContact CE1-SD 4.31Å; F117-M121 WeakPolarHBondContact O-CB 3.15Å; F117-M121 PolarHBondContact O-N 3.42Å; F117-I166 HydrophobicContact CB-CD1 4.36Å; F117-I166 HydrophobicContact CD2-CD1 3.88Å; F117-I166 HydrophobicContact CD2-CG1 4.12Å
118Y98.5Very high97.6Very high1 Ų129.7 Ų29.70%0.00415%0.152CC..Hα-helixtrans-72.3-37.4-177.5-63.1-46.5000112.8R41 L101 L105 A109 S114 K115 M121 K122R41-Y118 HydrophobicContact CG-CE1 3.79Å; L101-Y118 HydrophobicContact CD2-CD1 3.81Å; L101-Y118 HydrophobicContact CD2-CG 4.15Å; L105-Y118 HydrophobicContact CB-CD1 3.79Å; L105-Y118 HydrophobicContact CB-CD2 3.88Å; L105-Y118 HydrophobicContact CB-CE1 3.78Å; L105-Y118 HydrophobicContact CB-CE2 3.88Å; L105-Y118 HydrophobicContact CB-CG 3.86Å; L105-Y118 HydrophobicContact CD1-CD1 4.03Å; L105-Y118 HydrophobicContact CD1-CE1 3.85Å; L105-Y118 HydrophobicContact CD2-CE1 3.98Å; L105-Y118 HydrophobicContact CG-CD1 4.4Å; L105-Y118 HydrophobicContact CG-CE1 4.08Å; A109-Y118 HydrophobicContact CB-CD2 4.04Å; A109-Y118 HydrophobicContact CB-CE2 4.29Å; S114-Y118 WeakPolarHBondContact O-CD2 3.49Å; S114-Y118 PolarHBondContact O-N 3.41Å; K115-Y118 PolarHBondContact O-N 3.1Å; Y118-M121 WeakPolarHBondContact O-CB 3.33Å; Y118-M121 PolarHBondContact O-N 3.47Å; Y118-K122 WeakPolarHBondContact O-CB 3.12Å; Y118-K122 PolarHBondContact O-N 3.42Å
119L98.7Very high97.7Very high4 Ų427 Ų272%0.02114%0.138CC..Hα-helixtrans-66.3-41.2173.8-74167.7000111.7I106 K115 M121 K122 G123 E151 A152 I155I106-L119 HydrophobicContact CD1-CD2 4.26Å; K115-L119 WeakPolarHBondContact O-CB 3.45Å; K115-L119 WeakPolarHBondContact O-CG 3.4Å; K115-L119 PolarHBondContact O-N 3.09Å; L119-M121 VanDerWaalsContact C-N 3.31Å; L119-M121 PolarHBondContact O-N 3.31Å; L119-K122 WeakPolarHBondContact O-CB 3.31Å; L119-K122 PolarHBondContact O-N 2.88Å; L119-G123 PolarHBondContact O-N 2.56Å; L119-E151 HydrophobicContact CD1-CB 4.13Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; L119-A152 HydrophobicContact CB-CB 3.67Å; L119-I155 HydrophobicContact CD1-CD1 3.78Å
120K98.4Very high97.8Very high38 Ų3826.7 Ų26.717%0.16514%0.135CC..Hα-helixtrans-56.4-47.3170.2177.8-165171.5-66.70110.8V116 K122 G123 D124 G169 L170 N173V116-K120 WeakPolarHBondContact O-CB 3.22Å; V116-K120 PolarHBondContact O-N 3.41Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 2.84Å; K120-G123 PolarHBondContact O-N 3.28Å; K120-D124 IonicContact NZ-OD2 3.2Å; K120-D124 PolarHBondContact NZ-OD2 3.26Å; K120-D124 PolarHBondContact O-N 3.43Å; K120-G169 VanDerWaalsContact CE-C 3.48Å; K120-G169 VanDerWaalsContact CE-O 3.24Å; K120-G169 WeakPolarHBondContact CE-O 3.44Å; K120-L170 HydrophobicContact CB-CD1 4.03Å; K120-L170 HydrophobicContact CD-CB 4.2Å; K120-L170 HydrophobicContact CG-CB 4.33Å; K120-L170 HydrophobicContact CG-CD1 4.01Å; K120-N173 PolarHBondContact NZ-ND2 3.33Å
121M98.3Very high97.7Very high7 Ų723.1 Ų23.13%0.03411%0.111CC..Hα-helixtrans-61.7-43177.9-164.7174.3-177.700110.8V97 L101 F117 Y118 L119 G123 D124 Y125V97-M121 HydrophobicContact CG1-CE 3.83Å; L101-M121 HydrophobicContact CD1-CB 4.19Å; L101-M121 HydrophobicContact CD1-CG 4.09Å; L101-M121 HydrophobicContact CD2-CB 4.16Å; L101-M121 HydrophobicContact CD2-CG 4.36Å; L101-M121 HydrophobicContact CD2-SD 4.12Å; F117-M121 HydrophobicContact CE1-SD 4.31Å; F117-M121 WeakPolarHBondContact O-CB 3.15Å; F117-M121 PolarHBondContact O-N 3.42Å; Y118-M121 WeakPolarHBondContact O-CB 3.33Å; Y118-M121 PolarHBondContact O-N 3.47Å; L119-M121 VanDerWaalsContact C-N 3.31Å; L119-M121 PolarHBondContact O-N 3.31Å; M121-G123 VanDerWaalsContact C-N 3.35Å; M121-G123 PolarHBondContact O-N 2.94Å; M121-D124 WeakPolarHBondContact O-CB 3.49Å; M121-D124 PolarHBondContact O-N 2.91Å; M121-D124 VanDerWaalsContact O-N 3.16Å; M121-Y125 HydrophobicContact CE-CD2 4.49Å; M121-Y125 HydrophobicContact CE-CE2 3.68Å; M121-Y125 HydrophobicContact CG-CD2 3.84Å; M121-Y125 HydrophobicContact CG-CE2 3.75Å; M121-Y125 VanDerWaalsContact O-CD2 3.28Å; M121-Y125 WeakPolarHBondContact O-CD2 3.41Å; M121-Y125 PolarHBondContact O-N 3.38Å
122K98.7Very high97.7Very high46 Ų4620.7 Ų20.720%0.210%0.098CC..Hα-helixtrans-57.9-46.3174.1-175.1172.1-178.4172.50111.6L98 L101 D102 I106 Y118 L119 K120 D124 Y125 F126 A148L98-K122 HydrophobicContact CD2-CB 4.5Å; L98-K122 HydrophobicContact CD2-CG 3.89Å; L101-K122 HydrophobicContact CD1-CB 4.04Å; D102-K122 VanDerWaalsContact OD1-CE 3.3Å; D102-K122 WeakPolarHBondContact OD1-CE 3.33Å; D102-K122 IonicContact OD1-NZ 2.67Å; D102-K122 PolarHBondContact OD1-NZ 2.97Å; D102-K122 IonicContact OD2-NZ 3.03Å; D102-K122 PolarHBondContact OD2-NZ 2.77Å; I106-K122 HydrophobicContact CD1-CB 4.22Å; I106-K122 HydrophobicContact CD1-CD 3.66Å; Y118-K122 WeakPolarHBondContact O-CB 3.12Å; Y118-K122 PolarHBondContact O-N 3.42Å; L119-K122 WeakPolarHBondContact O-CB 3.31Å; L119-K122 PolarHBondContact O-N 2.88Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 2.84Å; K122-D124 PolarHBondContact O-N 2.81Å; K122-Y125 PolarHBondContact O-N 3.06Å; K122-F126 HydrophobicContact CD-CE2 4.32Å; K122-F126 HydrophobicContact CG-CD2 3.8Å; K122-F126 HydrophobicContact CG-CE2 3.74Å; K122-F126 WeakPolarHBondContact O-CD2 3.4Å; K122-F126 PolarHBondContact O-N 2.96Å; K122-A148 HydrophobicContact CB-CB 4.04Å; K122-A148 HydrophobicContact CD-CB 4.21Å; K122-A148 HydrophobicContact CG-CB 3.92Å
123G98.6Very high97.6Very high0 Ų018.5 Ų18.50%08%0.084CC..Hα-helixtrans-56.6-46.7173.200000112.4L119 K120 M121 F126 R127 S145L119-G123 PolarHBondContact O-N 2.56Å; K120-G123 PolarHBondContact O-N 3.28Å; M121-G123 VanDerWaalsContact C-N 3.35Å; M121-G123 PolarHBondContact O-N 2.94Å; G123-F126 PolarHBondContact O-N 2.89Å; G123-R127 WeakPolarHBondContact O-CB 3.24Å; G123-R127 PolarHBondContact O-N 3.22Å; G123-S145 PolarHBondContact O-OG 3.18Å
124D98.1Very high97.4Very high9 Ų921.1 Ų21.15%0.04811%0.107CC..Hα-helixtrans-59.9-47178-73.9-35.4000112.5K120 M121 K122 R127 Y128 Y149 N173K120-D124 IonicContact NZ-OD2 3.2Å; K120-D124 PolarHBondContact NZ-OD2 3.26Å; K120-D124 PolarHBondContact O-N 3.43Å; M121-D124 WeakPolarHBondContact O-CB 3.49Å; M121-D124 PolarHBondContact O-N 2.91Å; M121-D124 VanDerWaalsContact O-N 3.16Å; K122-D124 PolarHBondContact O-N 2.81Å; D124-R127 WeakPolarHBondContact O-CB 3.07Å; D124-R127 PolarHBondContact O-N 2.96Å; D124-R127 IonicContact OD1-CZ 3.55Å; D124-R127 IonicContact OD1-NE 3.62Å; D124-R127 IonicContact OD1-NH2 2.9Å; D124-R127 PolarHBondContact OD1-NH2 3.37Å; D124-Y128 HydrophobicContact CB-CE2 4.21Å; D124-Y128 VanDerWaalsContact O-CD1 3.31Å; D124-Y128 WeakPolarHBondContact O-CD1 3.45Å; D124-Y128 VanDerWaalsContact O-CD2 3.27Å; D124-Y128 WeakPolarHBondContact O-CD2 3.24Å; D124-Y128 PolarHBondContact O-N 3.06Å; D124-Y149 VanDerWaalsContact CA-OH 3.28Å; D124-Y149 WeakPolarHBondContact CA-OH 3.44Å; D124-Y149 PolarHBondContact N-OH 3.5Å; D124-Y149 PolarHBondContact OD1-OH 3.47Å; D124-N173 VanDerWaalsContact CG-ND2 3.25Å; D124-N173 WeakPolarHBondContact OD1-CB 3.25Å; D124-N173 PolarHBondContact OD1-ND2 3.47Å; D124-N173 PolarHBondContact OD2-ND2 3.2Å
125Y98.4Very high97.2Very high7 Ų724 Ų243%0.02714%0.137CC..Hα-helixtrans-73.3-34.6-178.2-80.9-87.8000113.1Y48 K49 V52 C94 V97 M121 K122 R127 Y128 L129Y48-Y125 WeakPolarHBondContact CB-OH 3.22Å; Y48-Y125 PolarHBondContact O-OH 3.45Å; Y48-Y125 VanDerWaalsContact O-OH 3.06Å; K49-Y125 PolarHBondContact N-OH 3.5Å; V52-Y125 HydrophobicContact CB-CE1 4.19Å; V52-Y125 HydrophobicContact CG1-CE1 4.13Å; V52-Y125 HydrophobicContact CG2-CE1 4.29Å; C94-Y125 HydrophobicContact CB-CD1 4.1Å; V97-Y125 HydrophobicContact CB-CD1 3.86Å; V97-Y125 HydrophobicContact CB-CD2 4.27Å; V97-Y125 HydrophobicContact CB-CE1 3.91Å; V97-Y125 HydrophobicContact CB-CE2 4.36Å; V97-Y125 HydrophobicContact CB-CG 4.05Å; V97-Y125 HydrophobicContact CG1-CD1 4.01Å; V97-Y125 HydrophobicContact CG1-CD2 3.49Å; V97-Y125 VanDerWaalsContact CG1-CD2 3.49Å; V97-Y125 HydrophobicContact CG1-CE1 4.06Å; V97-Y125 HydrophobicContact CG1-CE2 3.59Å; V97-Y125 HydrophobicContact CG1-CG 3.73Å; V97-Y125 HydrophobicContact CG2-CD1 4.13Å; V97-Y125 HydrophobicContact CG2-CE1 3.66Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å; M121-Y125 HydrophobicContact CE-CD2 4.49Å; M121-Y125 HydrophobicContact CE-CE2 3.68Å; M121-Y125 HydrophobicContact CG-CD2 3.84Å; M121-Y125 HydrophobicContact CG-CE2 3.75Å; M121-Y125 VanDerWaalsContact O-CD2 3.28Å; M121-Y125 WeakPolarHBondContact O-CD2 3.41Å; M121-Y125 PolarHBondContact O-N 3.38Å; K122-Y125 PolarHBondContact O-N 3.06Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-Y128 AromaticContact CD1-CD2 3.91Å; Y125-Y128 HydrophobicContact CD1-CD2 3.91Å; Y125-Y128 HydrophobicContact CD1-CE2 4.32Å; Y125-Y128 HydrophobicContact CD2-CE2 4.43Å; Y125-Y128 HydrophobicContact CE1-CD2 4.18Å; Y125-Y128 HydrophobicContact CE1-CE2 4.3Å; Y125-Y128 HydrophobicContact CE2-CE2 4.37Å; Y125-Y128 HydrophobicContact CG-CD2 4.17Å; Y125-Y128 HydrophobicContact CG-CE2 4.39Å; Y125-Y128 PolarHBondContact O-N 3.47Å; Y125-L129 PolarHBondContact O-N 2.89Å; Y125-L129 VanDerWaalsContact O-N 3.09Å
126F98.6Very high97.1Very high22 Ų2226.7 Ų26.710%0.09616%0.155CC..Hα-helixtrans-67.1-34.5168.8-83-61.7000112.4L98 K122 G123 L129 A130 T141 N144L98-F126 HydrophobicContact CD1-CD1 3.87Å; L98-F126 HydrophobicContact CD1-CD2 4.35Å; L98-F126 HydrophobicContact CD1-CE1 3.62Å; L98-F126 HydrophobicContact CD1-CE2 4.13Å; L98-F126 HydrophobicContact CD1-CG 4.21Å; L98-F126 HydrophobicContact CD1-CZ 3.76Å; L98-F126 HydrophobicContact CD2-CD2 3.66Å; L98-F126 HydrophobicContact CD2-CE2 3.54Å; L98-F126 HydrophobicContact CD2-CG 4.2Å; L98-F126 HydrophobicContact CD2-CZ 4Å; L98-F126 HydrophobicContact CG-CE2 4.42Å; L98-F126 HydrophobicContact CG-CZ 4.42Å; K122-F126 HydrophobicContact CD-CE2 4.32Å; K122-F126 HydrophobicContact CG-CD2 3.8Å; K122-F126 HydrophobicContact CG-CE2 3.74Å; K122-F126 WeakPolarHBondContact O-CD2 3.4Å; K122-F126 PolarHBondContact O-N 2.96Å; G123-F126 PolarHBondContact O-N 2.89Å; F126-L129 HydrophobicContact CD1-CD1 4.03Å; F126-L129 HydrophobicContact CE1-CD1 4.37Å; F126-L129 WeakPolarHBondContact O-CB 3.31Å; F126-L129 PolarHBondContact O-N 3.21Å; F126-A130 PolarHBondContact O-N 3.48Å; F126-T141 HydrophobicContact CD1-CG2 4.48Å; F126-N144 HydrophobicContact CB-CB 4.47Å; F126-N144 HydrophobicContact CD1-CB 3.74Å; F126-N144 HydrophobicContact CD2-CB 3.74Å; F126-N144 HydrophobicContact CE1-CB 3.8Å; F126-N144 WeakPolarHBondContact CE1-ND2 3.21Å; F126-N144 HydrophobicContact CE2-CB 3.78Å; F126-N144 HydrophobicContact CG-CB 3.73Å; F126-N144 HydrophobicContact CZ-CB 3.82Å
127R98.1Very high96.9Very high12 Ų1230 Ų305%0.04517%0.173CC..Hα-helixtrans-61.9-43.7172.2171.2169.261.485.42.1111.3G123 D124 Y125 L129 A130 E131 S145 Y149 F177 I181G123-R127 WeakPolarHBondContact O-CB 3.24Å; G123-R127 PolarHBondContact O-N 3.22Å; D124-R127 WeakPolarHBondContact O-CB 3.07Å; D124-R127 PolarHBondContact O-N 2.96Å; D124-R127 IonicContact OD1-CZ 3.55Å; D124-R127 IonicContact OD1-NE 3.62Å; D124-R127 IonicContact OD1-NH2 2.9Å; D124-R127 PolarHBondContact OD1-NH2 3.37Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; R127-L129 VanDerWaalsContact C-N 3.27Å; R127-L129 PolarHBondContact O-N 2.73Å; R127-A130 WeakPolarHBondContact O-CB 3.43Å; R127-A130 PolarHBondContact O-N 3.31Å; R127-A130 VanDerWaalsContact O-N 3.1Å; R127-E131 IonicContact NH1-OE1 2.85Å; R127-E131 WeakPolarHBondContact O-CG 3.48Å; R127-E131 PolarHBondContact O-N 3.05Å; R127-S145 PolarHBondContact N-OG 2.98Å; R127-Y149 PolarHBondContact NE-OH 3.3Å; R127-F177 HydrophobicContact CB-CD2 4.22Å; R127-F177 HydrophobicContact CG-CD2 4.24Å; R127-I181 HydrophobicContact CG-CD1 4Å; R127-I181 HydrophobicContact CG-CG1 3.82Å
128Y97.5Very high96.8Very high21 Ų2133.1 Ų33.18%0.08218%0.184CC..Hα-helixtrans-62.8-34.2175.6-54.2-28.7000112.6V52 R56 D124 Y125V52-Y128 HydrophobicContact CG1-CD2 4.19Å; V52-Y128 HydrophobicContact CG1-CE2 4Å; V52-Y128 HydrophobicContact CG2-CD2 4.09Å; R56-Y128 VanDerWaalsContact NE-CD1 3.32Å; D124-Y128 HydrophobicContact CB-CE2 4.21Å; D124-Y128 VanDerWaalsContact O-CD1 3.31Å; D124-Y128 WeakPolarHBondContact O-CD1 3.45Å; D124-Y128 VanDerWaalsContact O-CD2 3.27Å; D124-Y128 WeakPolarHBondContact O-CD2 3.24Å; D124-Y128 PolarHBondContact O-N 3.06Å; Y125-Y128 AromaticContact CD1-CD2 3.91Å; Y125-Y128 HydrophobicContact CD1-CD2 3.91Å; Y125-Y128 HydrophobicContact CD1-CE2 4.32Å; Y125-Y128 HydrophobicContact CD2-CE2 4.43Å; Y125-Y128 HydrophobicContact CE1-CD2 4.18Å; Y125-Y128 HydrophobicContact CE1-CE2 4.3Å; Y125-Y128 HydrophobicContact CE2-CE2 4.37Å; Y125-Y128 HydrophobicContact CG-CD2 4.17Å; Y125-Y128 HydrophobicContact CG-CE2 4.39Å; Y125-Y128 PolarHBondContact O-N 3.47Å
129L97.9Very high96.7Very high13 Ų1339.3 Ų39.37%0.06821%0.211CC..Hα-helixtrans-66.8-42.6170.8-71.4173.6000111.7R91 C94 L98 Y125 F126 R127 E131 V132 A133 T141R91-L129 HydrophobicContact CB-CD2 4.17Å; R91-L129 HydrophobicContact CG-CD2 3.81Å; C94-L129 HydrophobicContact CB-CD1 4.07Å; C94-L129 HydrophobicContact CB-CD2 3.66Å; C94-L129 HydrophobicContact CB-CG 3.66Å; L98-L129 HydrophobicContact CD1-CD1 3.59Å; Y125-L129 PolarHBondContact O-N 2.89Å; Y125-L129 VanDerWaalsContact O-N 3.09Å; F126-L129 HydrophobicContact CD1-CD1 4.03Å; F126-L129 HydrophobicContact CE1-CD1 4.37Å; F126-L129 WeakPolarHBondContact O-CB 3.31Å; F126-L129 PolarHBondContact O-N 3.21Å; R127-L129 VanDerWaalsContact C-N 3.27Å; R127-L129 PolarHBondContact O-N 2.73Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 2.91Å; L129-V132 WeakPolarHBondContact O-CG2 3.4Å; L129-V132 PolarHBondContact O-N 3.31Å; L129-V132 VanDerWaalsContact O-N 3.11Å; L129-A133 VanDerWaalsContact O-CB 3.27Å; L129-A133 WeakPolarHBondContact O-CB 3.3Å; L129-A133 PolarHBondContact O-N 3.1Å; L129-T141 HydrophobicContact CB-CG2 3.79Å; L129-T141 HydrophobicContact CD1-CG2 4.42Å
130A97.3Very high96.7Very high2 Ų243.7 Ų43.72%0.01723%0.232CC..Hα-helixtrans-63.4-28.9178.100000113.2F126 R127 V132 I142 I181F126-A130 PolarHBondContact O-N 3.48Å; R127-A130 WeakPolarHBondContact O-CB 3.43Å; R127-A130 PolarHBondContact O-N 3.31Å; R127-A130 VanDerWaalsContact O-N 3.1Å; A130-V132 VanDerWaalsContact C-N 3.25Å; A130-V132 PolarHBondContact O-N 3.43Å; A130-I142 HydrophobicContact CB-CG1 3.82Å; A130-I181 HydrophobicContact CB-CD1 4.41Å; A130-I181 HydrophobicContact CB-CG2 4.23Å
131E94.5Very high96.6Very high32 Ų3242.2 Ų42.215%0.1523%0.226CC..Hα-helixtrans-60.2-33.8173.2-73.1170.6-162.800112.3R56 W59 R60 R127 L129 I181R56-E131 IonicContact CZ-OE1 3.5Å; R56-E131 IonicContact CZ-OE2 2.94Å; R56-E131 IonicContact NE-OE1 3.89Å; R56-E131 IonicContact NE-OE2 3.34Å; R56-E131 PolarHBondContact NE-OE2 3.15Å; R56-E131 VanDerWaalsContact NH2-CD 3.34Å; R56-E131 IonicContact NH2-OE1 3.93Å; R56-E131 PolarHBondContact NH2-OE1 3.07Å; R56-E131 IonicContact NH2-OE2 2.73Å; R56-E131 PolarHBondContact NH2-OE2 2.81Å; R56-E131 VanDerWaalsContact NH2-OE2 3.13Å; W59-E131 WeakPolarHBondContact CH2-O 3.4Å; R60-E131 IonicContact NH2-OE2 3.53Å; R127-E131 IonicContact NH1-OE1 2.85Å; R127-E131 WeakPolarHBondContact O-CG 3.48Å; R127-E131 PolarHBondContact O-N 3.05Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 2.91Å; E131-I181 HydrophobicContact CG-CD1 4.08Å
132V94.9Very high96.6Very high5 Ų542.7 Ų42.73%0.0323%0.228CC..Hα-helixtrans-111.33.3-174.4-54.70000113.9W59 E87 L90 R91 L129 A130W59-V132 HydrophobicContact CD2-CG1 3.82Å; W59-V132 HydrophobicContact CE3-CG1 4.3Å; W59-V132 HydrophobicContact CG-CG1 4.19Å; W59-V132 HydrophobicContact CH2-CG1 4.37Å; W59-V132 HydrophobicContact CZ2-CB 4.43Å; W59-V132 HydrophobicContact CZ2-CG1 3.91Å; E87-V132 HydrophobicContact CG-CB 4.07Å; E87-V132 HydrophobicContact CG-CG1 4.24Å; L90-V132 HydrophobicContact CD1-CG1 4Å; L90-V132 HydrophobicContact CD2-CG1 4.36Å; L90-V132 HydrophobicContact CD2-CG2 4.01Å; R91-V132 HydrophobicContact CG-CG2 4.24Å; R91-V132 PolarHBondContact NH2-O 3.42Å; L129-V132 WeakPolarHBondContact O-CG2 3.4Å; L129-V132 PolarHBondContact O-N 3.31Å; L129-V132 VanDerWaalsContact O-N 3.11Å; A130-V132 VanDerWaalsContact C-N 3.25Å; A130-V132 PolarHBondContact O-N 3.43Å
133A94.9Very high96.6Very high6 Ų644.7 Ų44.75%0.0524%0.238CC..  trans-93.8151.8-176.100000113L129 D137 R138L129-A133 VanDerWaalsContact O-CB 3.27Å; L129-A133 WeakPolarHBondContact O-CB 3.3Å; L129-A133 PolarHBondContact O-N 3.1Å; A133-D137 WeakPolarHBondContact CB-OD2 3.48Å; A133-R138 HydrophobicContact CB-CB 3.89Å; A133-R138 HydrophobicContact CB-CG 4.27Å; A133-R138 WeakPolarHBondContact O-CD 3.32Å
134C91.5Very high96.6Very high105 Ų10547.5 Ų47.571%0.70925%0.254SS*.  trans-130155.8178.1-66.70000110.2R138C134-R138 PolarHBondContact O-N 2.98Å
135G94.5Very high96.6Very high62 Ų6247.1 Ų47.164%0.63925%0.251SS*.Hα-helixtrans59.4-139175.100000113.8D137 R138 K139G135-D137 VanDerWaalsContact C-N 3.33Å; G135-D137 PolarHBondContact O-N 3.06Å; G135-R138 WeakPolarHBondContact O-CB 3.39Å; G135-R138 PolarHBondContact O-N 3.43Å; G135-R138 VanDerWaalsContact O-N 3.16Å; G135-K139 PolarHBondContact O-N 3.06Å
136D94.6Very high96.6Very high144 Ų14450 Ų5077%0.7727%0.265SS*.Hα-helixtrans-65.2-33.7-176.1-65.2-32.3000113.2R138 K139 Q140D136-R138 VanDerWaalsContact C-N 3.26Å; D136-R138 PolarHBondContact O-N 3.3Å; D136-K139 PolarHBondContact O-N 3.12Å; D136-K139 VanDerWaalsContact O-N 3.13Å; D136-Q140 PolarHBondContact O-N 3.37Å
137D94.4Very high96.6Very high71 Ų7150.8 Ų50.838%0.3828%0.28SS..Hα-helixtrans-60.6-38174.7-176.548.1000111R91 A133 G135 K139 Q140 T141R91-D137 IonicContact CZ-OD2 3.66Å; R91-D137 IonicContact NH1-OD2 2.68Å; R91-D137 PolarHBondContact NH1-OD2 3.5Å; R91-D137 IonicContact NH2-OD2 3.78Å; A133-D137 WeakPolarHBondContact CB-OD2 3.48Å; G135-D137 VanDerWaalsContact C-N 3.33Å; G135-D137 PolarHBondContact O-N 3.06Å; D137-K139 PolarHBondContact O-N 3.18Å; D137-Q140 PolarHBondContact O-N 3.34Å; D137-T141 WeakPolarHBondContact O-CB 3.43Å; D137-T141 VanDerWaalsContact O-CG2 3.3Å; D137-T141 WeakPolarHBondContact O-CG2 3.16Å; D137-T141 PolarHBondContact O-N 2.99Å; D137-T141 PolarHBondContact O-OG1 3.48Å
138R96.3Very high96.6Very high88 Ų8850.5 Ų50.533%0.33228%0.28SS..Hα-helixtrans-63.9-42.9174.9-166.5-178.8178.5-85-4.7111.3A133 C134 G135 D136 T141 I142 I181A133-R138 HydrophobicContact CB-CB 3.89Å; A133-R138 HydrophobicContact CB-CG 4.27Å; A133-R138 WeakPolarHBondContact O-CD 3.32Å; C134-R138 PolarHBondContact O-N 2.98Å; G135-R138 WeakPolarHBondContact O-CB 3.39Å; G135-R138 PolarHBondContact O-N 3.43Å; G135-R138 VanDerWaalsContact O-N 3.16Å; D136-R138 VanDerWaalsContact C-N 3.26Å; D136-R138 PolarHBondContact O-N 3.3Å; R138-T141 WeakPolarHBondContact CA-OG1 3.44Å; R138-T141 PolarHBondContact O-OG1 3.38Å; R138-I142 HydrophobicContact CG-CD1 3.98Å; R138-I142 VanDerWaalsContact CZ-CD1 3.46Å; R138-I142 WeakPolarHBondContact O-CB 3.28Å; R138-I142 WeakPolarHBondContact O-CG1 3.32Å; R138-I142 PolarHBondContact O-N 2.92Å; R138-I142 VanDerWaalsContact O-N 3.08Å; R138-I181 PolarHBondContact NH2-O 2.79Å
139K96.7Very high96.7Very high132 Ų13249.5 Ų49.557%0.57428%0.276SS*.Hα-helixtrans-62.4-47.4178.9-175.3-179.5171.8-174.30111.1G135 D136 D137 I142 E143G135-K139 PolarHBondContact O-N 3.06Å; D136-K139 PolarHBondContact O-N 3.12Å; D136-K139 VanDerWaalsContact O-N 3.13Å; D137-K139 PolarHBondContact O-N 3.18Å; K139-I142 PolarHBondContact O-N 3.1Å; K139-E143 WeakPolarHBondContact CE-OE1 3.49Å; K139-E143 WeakPolarHBondContact O-CG 3.28Å; K139-E143 PolarHBondContact O-N 2.96Å
140Q97.5Very high96.7Very high95 Ų9552 Ų5244%0.44429%0.287SS..Hα-helixtrans-65-42-179.2-172.462.664.300112.7D136 D137 I142 E143 N144D136-Q140 PolarHBondContact O-N 3.37Å; D137-Q140 PolarHBondContact O-N 3.34Å; Q140-I142 VanDerWaalsContact C-N 3.33Å; Q140-I142 PolarHBondContact O-N 3.47Å; Q140-E143 PolarHBondContact O-N 2.82Å; Q140-N144 PolarHBondContact NE2-OD1 3.36Å; Q140-N144 WeakPolarHBondContact O-CB 3.28Å; Q140-N144 PolarHBondContact O-N 3.44Å; Q140-N144 PolarHBondContact O-ND2 3.48Å
141T97.5Very high96.8Very high7 Ų757 Ų574%0.04331%0.31CS..Hα-helixtrans-65.2-36.2177.949.30000112F126 L129 D137 R138 S145F126-T141 HydrophobicContact CD1-CG2 4.48Å; L129-T141 HydrophobicContact CB-CG2 3.79Å; L129-T141 HydrophobicContact CD1-CG2 4.42Å; D137-T141 WeakPolarHBondContact O-CB 3.43Å; D137-T141 VanDerWaalsContact O-CG2 3.3Å; D137-T141 WeakPolarHBondContact O-CG2 3.16Å; D137-T141 PolarHBondContact O-N 2.99Å; D137-T141 PolarHBondContact O-OG1 3.48Å; R138-T141 WeakPolarHBondContact CA-OG1 3.44Å; R138-T141 PolarHBondContact O-OG1 3.38Å; T141-S145 WeakPolarHBondContact O-CB 3.4Å; T141-S145 PolarHBondContact O-N 2.94Å
142I98.2Very high97Very high17 Ų1755.5 Ų55.59%0.08730%0.303CS..Hα-helixtrans-64.4-49.8173.2-71.5177000111.7A130 R138 K139 Q140 N144 S145 Q146 F177 I181 L182A130-I142 HydrophobicContact CB-CG1 3.82Å; R138-I142 HydrophobicContact CG-CD1 3.98Å; R138-I142 VanDerWaalsContact CZ-CD1 3.46Å; R138-I142 WeakPolarHBondContact O-CB 3.28Å; R138-I142 WeakPolarHBondContact O-CG1 3.32Å; R138-I142 PolarHBondContact O-N 2.92Å; R138-I142 VanDerWaalsContact O-N 3.08Å; K139-I142 PolarHBondContact O-N 3.1Å; Q140-I142 VanDerWaalsContact C-N 3.33Å; Q140-I142 PolarHBondContact O-N 3.47Å; I142-N144 VanDerWaalsContact C-N 3.31Å; I142-N144 PolarHBondContact O-N 3.25Å; I142-S145 PolarHBondContact O-N 3.2Å; I142-Q146 WeakPolarHBondContact O-CB 3.33Å; I142-Q146 PolarHBondContact O-N 3.48Å; I142-F177 HydrophobicContact CG2-CZ 4.07Å; I142-I181 HydrophobicContact CD1-CG2 3.66Å; I142-I181 HydrophobicContact CG1-CG2 3.51Å; I142-I181 HydrophobicContact CG2-CG2 4.44Å; I142-L182 HydrophobicContact CG2-CD2 3.6Å
143E98.2Very high97.1Very high89 Ų8956.7 Ų56.742%0.41631%0.308SS..Hα-helixtrans-60.2-42.7179.4-72.6174-17600111.2K139 Q140 Q146 G147K139-E143 WeakPolarHBondContact CE-OE1 3.49Å; K139-E143 WeakPolarHBondContact O-CG 3.28Å; K139-E143 PolarHBondContact O-N 2.96Å; Q140-E143 PolarHBondContact O-N 2.82Å; E143-Q146 PolarHBondContact O-N 2.83Å; E143-G147 PolarHBondContact O-N 2.82Å
144N98.4Very high97.3Very high59 Ų5960.7 Ų60.732%0.31633%0.328SS..Hα-helixtrans-65.5-41.4176.7-69.9-12.8000112.5F126 Q140 I142 A148F126-N144 HydrophobicContact CB-CB 4.47Å; F126-N144 HydrophobicContact CD1-CB 3.74Å; F126-N144 HydrophobicContact CD2-CB 3.74Å; F126-N144 HydrophobicContact CE1-CB 3.8Å; F126-N144 WeakPolarHBondContact CE1-ND2 3.21Å; F126-N144 HydrophobicContact CE2-CB 3.78Å; F126-N144 HydrophobicContact CG-CB 3.73Å; F126-N144 HydrophobicContact CZ-CB 3.82Å; Q140-N144 PolarHBondContact NE2-OD1 3.36Å; Q140-N144 WeakPolarHBondContact O-CB 3.28Å; Q140-N144 PolarHBondContact O-N 3.44Å; Q140-N144 PolarHBondContact O-ND2 3.48Å; I142-N144 VanDerWaalsContact C-N 3.31Å; I142-N144 PolarHBondContact O-N 3.25Å; N144-A148 WeakPolarHBondContact O-CB 3.17Å; N144-A148 PolarHBondContact O-N 3.38Å; N144-A148 VanDerWaalsContact O-N 3.12Å
145S98.5Very high97.6Very high0 Ų057.6 Ų57.60%030%0.304CS..Hα-helixtrans-63.5-48.7176.7-175.40000111.1G123 R127 T141 I142 G147 A148 Y149 F177G123-S145 PolarHBondContact O-OG 3.18Å; R127-S145 PolarHBondContact N-OG 2.98Å; T141-S145 WeakPolarHBondContact O-CB 3.4Å; T141-S145 PolarHBondContact O-N 2.94Å; I142-S145 PolarHBondContact O-N 3.2Å; S145-G147 PolarHBondContact O-N 3.05Å; S145-A148 PolarHBondContact O-N 2.91Å; S145-Y149 VanDerWaalsContact O-CD2 3.23Å; S145-Y149 WeakPolarHBondContact O-CD2 3.47Å; S145-Y149 PolarHBondContact O-N 3.42Å; S145-Y149 VanDerWaalsContact OG-CE2 3.3Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.49Å; S145-F177 WeakPolarHBondContact OG-CD2 3.46Å; S145-F177 VanDerWaalsContact OG-CE2 3.31Å; S145-F177 WeakPolarHBondContact OG-CE2 3.24Å
146Q98.4Very high97.8Very high67 Ų6754.6 Ų54.631%0.31327%0.274SS..Hα-helixtrans-62.5-44.4179.6-171.9174.23.200111.6I142 E143 A148 Y149 Q150 F177I142-Q146 WeakPolarHBondContact O-CB 3.33Å; I142-Q146 PolarHBondContact O-N 3.48Å; E143-Q146 PolarHBondContact O-N 2.83Å; Q146-A148 PolarHBondContact O-N 3.34Å; Q146-Y149 PolarHBondContact O-N 2.82Å; Q146-Q150 VanDerWaalsContact O-CB 3.3Å; Q146-Q150 WeakPolarHBondContact O-CB 3.23Å; Q146-Q150 PolarHBondContact O-N 3.18Å; Q146-F177 HydrophobicContact CB-CE1 3.76Å; Q146-F177 HydrophobicContact CB-CZ 3.79Å; Q146-F177 HydrophobicContact CG-CE1 4.05Å
147G98.6Very high97.9Very high40 Ų4052.3 Ų52.341%0.41226%0.257SS..Hα-helixtrans-59-45.8177.300000112.3E143 S145 Q150 E151E143-G147 PolarHBondContact O-N 2.82Å; S145-G147 PolarHBondContact O-N 3.05Å; G147-Q150 PolarHBondContact O-N 3.41Å; G147-E151 WeakPolarHBondContact O-CB 3.33Å; G147-E151 PolarHBondContact O-N 3.08Å
148A98.7Very high98Very high5 Ų557 Ų574%0.04127%0.274CS..Hα-helixtrans-65.4-42.5178.100000112.6K122 N144 S145 Q146 A152K122-A148 HydrophobicContact CB-CB 4.04Å; K122-A148 HydrophobicContact CD-CB 4.21Å; K122-A148 HydrophobicContact CG-CB 3.92Å; N144-A148 WeakPolarHBondContact O-CB 3.17Å; N144-A148 PolarHBondContact O-N 3.38Å; N144-A148 VanDerWaalsContact O-N 3.12Å; S145-A148 PolarHBondContact O-N 2.91Å; Q146-A148 PolarHBondContact O-N 3.34Å; A148-A152 WeakPolarHBondContact O-CB 3.46Å; A148-A152 PolarHBondContact O-N 3.35Å
149Y98.7Very high98.1Very high0 Ų057.6 Ų57.60%028%0.281CS..Hα-helixtrans-64.9-41.9175.2-76.3-51000112.5D124 R127 S145 Q146 A152 F153 L170 N173 F174 F177D124-Y149 VanDerWaalsContact CA-OH 3.28Å; D124-Y149 WeakPolarHBondContact CA-OH 3.44Å; D124-Y149 PolarHBondContact N-OH 3.5Å; D124-Y149 PolarHBondContact OD1-OH 3.47Å; R127-Y149 PolarHBondContact NE-OH 3.3Å; S145-Y149 VanDerWaalsContact O-CD2 3.23Å; S145-Y149 WeakPolarHBondContact O-CD2 3.47Å; S145-Y149 PolarHBondContact O-N 3.42Å; S145-Y149 VanDerWaalsContact OG-CE2 3.3Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.49Å; Q146-Y149 PolarHBondContact O-N 2.82Å; Y149-A152 PolarHBondContact O-N 2.9Å; Y149-F153 VanDerWaalsContact O-CB 3.24Å; Y149-F153 WeakPolarHBondContact O-CB 3.48Å; Y149-F153 PolarHBondContact O-N 2.92Å; Y149-L170 HydrophobicContact CD1-CD1 3.67Å; Y149-L170 HydrophobicContact CE1-CD1 4.37Å; Y149-N173 HydrophobicContact CE1-CB 4.17Å; Y149-F174 HydrophobicContact CD1-CB 4.45Å; Y149-F174 AromaticContact CD2-CD2 3.96Å; Y149-F174 HydrophobicContact CD2-CD2 3.96Å; Y149-F174 HydrophobicContact CD2-CE2 4.31Å; Y149-F174 HydrophobicContact CG-CB 4.4Å; Y149-F174 AromaticContact CG-CD2 3.92Å; Y149-F174 HydrophobicContact CG-CD2 3.92Å; Y149-F174 HydrophobicContact CG-CE2 4.31Å; Y149-F174 HydrophobicContact CG-CG 4.12Å; Y149-F177 HydrophobicContact CD2-CB 4.17Å; Y149-F177 HydrophobicContact CD2-CD1 4.31Å; Y149-F177 HydrophobicContact CD2-CD2 4.29Å; Y149-F177 HydrophobicContact CD2-CG 4Å; Y149-F177 HydrophobicContact CE2-CB 3.75Å; Y149-F177 AromaticContact CE2-CD2 3.93Å; Y149-F177 HydrophobicContact CE2-CD2 3.93Å; Y149-F177 AromaticContact CE2-CG 3.85Å; Y149-F177 HydrophobicContact CE2-CG 3.85Å
150Q98.6Very high98Very high67 Ų6752.1 Ų52.131%0.31326%0.257SS..Hα-helixtrans-65-45.9-179.9-171.661.754.200111.3Q146 G147 A152 F153 D154 F174Q146-Q150 VanDerWaalsContact O-CB 3.3Å; Q146-Q150 WeakPolarHBondContact O-CB 3.23Å; Q146-Q150 PolarHBondContact O-N 3.18Å; G147-Q150 PolarHBondContact O-N 3.41Å; Q150-A152 PolarHBondContact O-N 3.43Å; Q150-F153 WeakPolarHBondContact O-CB 3.44Å; Q150-F153 PolarHBondContact O-N 3.5Å; Q150-F153 VanDerWaalsContact O-N 3.1Å; Q150-D154 PolarHBondContact NE2-OD1 3.28Å; Q150-D154 VanDerWaalsContact O-CG 3.26Å; Q150-D154 PolarHBondContact O-N 2.95Å; Q150-F174 HydrophobicContact CB-CZ 4.45Å
151E98.5Very high97.9Very high107 Ų10752.8 Ų52.850%0.526%0.261SS..Hα-helixtrans-60.6-44.4176.2-170.2-176.7168.700111.4L119 G147 F153 D154 I155L119-E151 HydrophobicContact CD1-CB 4.13Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; G147-E151 WeakPolarHBondContact O-CB 3.33Å; G147-E151 PolarHBondContact O-N 3.08Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.42Å; E151-D154 PolarHBondContact O-N 2.97Å; E151-I155 HydrophobicContact CG-CD1 4.17Å; E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 2.95Å; E151-I155 VanDerWaalsContact O-N 3.13Å
152A98.7Very high97.8Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-59.6-40.7174.100000111.7V116 L119 A148 Y149 Q150 S156 L170V116-A152 HydrophobicContact CG1-CB 4.36Å; L119-A152 HydrophobicContact CB-CB 3.67Å; A148-A152 WeakPolarHBondContact O-CB 3.46Å; A148-A152 PolarHBondContact O-N 3.35Å; Y149-A152 PolarHBondContact O-N 2.9Å; Q150-A152 PolarHBondContact O-N 3.43Å; A152-S156 VanDerWaalsContact O-CB 3.25Å; A152-S156 WeakPolarHBondContact O-CB 3.16Å; A152-S156 PolarHBondContact O-N 3.32Å; A152-S156 PolarHBondContact O-OG 3.2Å; A152-L170 VanDerWaalsContact C-CD2 3.43Å; A152-L170 HydrophobicContact CB-CD1 3.88Å; A152-L170 HydrophobicContact CB-CD2 3.59Å; A152-L170 HydrophobicContact CB-CG 4.41Å; A152-L170 WeakPolarHBondContact O-CD2 3.28Å
153F98.3Very high97.7Very high29 Ų2952.5 Ų52.513%0.12726%0.26CS..Hα-helixtrans-68.8-44.3-175.3-170-113.1000110.9Y149 Q150 E151 S156 K157 L170 F174 L191Y149-F153 VanDerWaalsContact O-CB 3.24Å; Y149-F153 WeakPolarHBondContact O-CB 3.48Å; Y149-F153 PolarHBondContact O-N 2.92Å; Q150-F153 WeakPolarHBondContact O-CB 3.44Å; Q150-F153 PolarHBondContact O-N 3.5Å; Q150-F153 VanDerWaalsContact O-N 3.1Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.42Å; F153-S156 PolarHBondContact O-N 3.38Å; F153-S156 PolarHBondContact O-OG 3.41Å; F153-K157 HydrophobicContact CD1-CD 4.08Å; F153-K157 HydrophobicContact CE1-CD 3.77Å; F153-K157 HydrophobicContact CZ-CD 4.15Å; F153-K157 WeakPolarHBondContact O-CB 2.99Å; F153-K157 WeakPolarHBondContact O-CG 3.18Å; F153-K157 PolarHBondContact O-N 2.91Å; F153-L170 HydrophobicContact CB-CD2 4.18Å; F153-L170 HydrophobicContact CD2-CD2 4.37Å; F153-F174 HydrophobicContact CB-CD1 4.28Å; F153-F174 HydrophobicContact CB-CE1 4.21Å; F153-F174 HydrophobicContact CD2-CD1 4.41Å; F153-F174 HydrophobicContact CG-CD1 4.33Å; F153-F174 HydrophobicContact CG-CE1 4.42Å; F153-L191 HydrophobicContact CZ-CD1 4.45Å; F153-L191 HydrophobicContact CZ-CG 4.38Å
154D98.4Very high97.5Very high90 Ų9050.6 Ų50.648%0.48125%0.251SS..Hα-helixtrans-63.2-44.2177.8-64.7-20.2000111.7Q150 E151 K158Q150-D154 PolarHBondContact NE2-OD1 3.28Å; Q150-D154 VanDerWaalsContact O-CG 3.26Å; Q150-D154 PolarHBondContact O-N 2.95Å; E151-D154 PolarHBondContact O-N 2.97Å; D154-K158 PolarHBondContact O-N 2.84Å
155I98.4Very high97.4Very high40 Ų4048.8 Ų48.821%0.20524%0.242CC..Hα-helixtrans-63.4-46.3174.8-62.9166.6000110.2P112 K115 V116 L119 E151 K157 K158 E159P112-I155 HydrophobicContact CB-CG2 4.2Å; K115-I155 HydrophobicContact CB-CD1 4.46Å; V116-I155 HydrophobicContact CG2-CB 3.81Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; L119-I155 HydrophobicContact CD1-CD1 3.78Å; E151-I155 HydrophobicContact CG-CD1 4.17Å; E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 2.95Å; E151-I155 VanDerWaalsContact O-N 3.13Å; I155-K157 VanDerWaalsContact C-N 3.34Å; I155-K157 PolarHBondContact O-N 3.13Å; I155-K158 PolarHBondContact O-N 3.33Å; I155-E159 HydrophobicContact CG2-CG 4.34Å; I155-E159 WeakPolarHBondContact O-CB 3.3Å; I155-E159 PolarHBondContact O-N 2.98Å
156S97.9Very high97.2Very high0 Ų049.8 Ų49.80%025%0.247CC..Hα-helixtrans-64-37.5-177.476.40000112.8A152 F153 K158 M160A152-S156 VanDerWaalsContact O-CB 3.25Å; A152-S156 WeakPolarHBondContact O-CB 3.16Å; A152-S156 PolarHBondContact O-N 3.32Å; A152-S156 PolarHBondContact O-OG 3.2Å; F153-S156 PolarHBondContact O-N 3.38Å; F153-S156 PolarHBondContact O-OG 3.41Å; S156-K158 VanDerWaalsContact C-N 3.28Å; S156-K158 PolarHBondContact O-N 3.28Å; S156-M160 WeakPolarHBondContact O-CA 3.29Å; S156-M160 VanDerWaalsContact O-CB 3.31Å; S156-M160 WeakPolarHBondContact O-CB 3.23Å; S156-M160 PolarHBondContact O-N 3.43Å
157K96.9Very high97.2Very high96 Ų9647.7 Ų47.742%0.41724%0.236SC..Hα-helixtrans-65.1-34.6176.8-84.2-172.4162.3-177.90112.5F153 I155F153-K157 HydrophobicContact CD1-CD 4.08Å; F153-K157 HydrophobicContact CE1-CD 3.77Å; F153-K157 HydrophobicContact CZ-CD 4.15Å; F153-K157 WeakPolarHBondContact O-CB 2.99Å; F153-K157 WeakPolarHBondContact O-CG 3.18Å; F153-K157 PolarHBondContact O-N 2.91Å; I155-K157 VanDerWaalsContact C-N 3.34Å; I155-K157 PolarHBondContact O-N 3.13Å
158K97.4Very high97.1Very high168 Ų16845.9 Ų45.973%0.7322%0.217SC*.Hα-helixtrans-83-40.4-177.6-174.7-174.2172.1-157.40113D154 I155 S156D154-K158 PolarHBondContact O-N 2.84Å; I155-K158 PolarHBondContact O-N 3.33Å; S156-K158 VanDerWaalsContact C-N 3.28Å; S156-K158 PolarHBondContact O-N 3.28Å
159E97.1Very high97Very high102 Ų10246.1 Ų46.148%0.47722%0.22SC..Hα-helixtrans-115-3.4-164.7-53.8-71.2167.600113.8P112 I155P112-E159 HydrophobicContact CB-CB 3.67Å; P112-E159 HydrophobicContact CB-CG 4.11Å; P112-E159 HydrophobicContact CG-CB 3.94Å; P112-E159 HydrophobicContact CG-CG 4.11Å; I155-E159 HydrophobicContact CG2-CG 4.34Å; I155-E159 WeakPolarHBondContact O-CB 3.3Å; I155-E159 PolarHBondContact O-N 2.98Å
160M95.5Very high97Very high16 Ų1646.1 Ų46.18%0.07922%0.22CC..SBendtrans-130.4143.6-175.5-51.4179.972.100112.2E113 V116 S156 H164 I166 R167E113-M160 HydrophobicContact CG-CE 4.31Å; V116-M160 HydrophobicContact CB-SD 3.95Å; V116-M160 HydrophobicContact CG1-SD 3.96Å; V116-M160 HydrophobicContact CG2-SD 3.8Å; S156-M160 WeakPolarHBondContact O-CA 3.29Å; S156-M160 VanDerWaalsContact O-CB 3.31Å; S156-M160 WeakPolarHBondContact O-CB 3.23Å; S156-M160 PolarHBondContact O-N 3.43Å; M160-H164 HydrophobicContact CB-CB 4.44Å; M160-H164 HydrophobicContact CE-CB 4.18Å; M160-H164 VanDerWaalsContact CE-CE1 3.43Å; M160-H164 WeakPolarHBondContact CE-CE1 3.49Å; M160-H164 VanDerWaalsContact CE-CG 3.45Å; M160-H164 VanDerWaalsContact CE-ND1 3.27Å; M160-H164 WeakPolarHBondContact CE-ND1 3.31Å; M160-I166 HydrophobicContact CE-CB 3.88Å; M160-I166 HydrophobicContact CE-CG2 4.05Å; M160-R167 HydrophobicContact CB-CB 4.47Å; M160-R167 PolarHBondContact O-NH1 3.22Å
161Q95.1Very high96.9Very high110 Ų11043 Ų4351%0.51421%0.206SC..  trans-63.5143.7174.5-62.1-60.8-37.900110.9T163 H164 R167 E202Q161-T163 PolarHBondContact O-N 3.35Å; Q161-T163 VanDerWaalsContact O-N 3.15Å; Q161-H164 WeakPolarHBondContact O-CB 3.1Å; Q161-H164 PolarHBondContact O-N 3.24Å; Q161-R167 WeakPolarHBondContact O-CD 3.49Å; Q161-E202 PolarHBondContact OE1-OE2 3.02Å
162P96.2Very high96.9Very high12 Ų1238.9 Ų38.98%0.07819%0.187CC..THydrogen-bonded Turntrans-52.7-31.8175.6-26.935.4000114.6H164 L168 E198 E202P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 3.39Å; P162-L168 WeakPolarHBondContact O-CG 3.23Å; P162-E198 HydrophobicContact CB-CB 3.88Å; P162-E198 HydrophobicContact CG-CB 4.36Å; P162-E202 WeakPolarHBondContact CD-OE2 3.35Å
163T95.3Very high96.8Very high5 Ų540.4 Ų40.43%0.03120%0.195CC..THydrogen-bonded Turntrans-81.1-5.317955.30000114Q161 A199 E202 S214Q161-T163 PolarHBondContact O-N 3.35Å; Q161-T163 VanDerWaalsContact O-N 3.15Å; T163-A199 HydrophobicContact CG2-CB 4.32Å; T163-A199 WeakPolarHBondContact CG2-O 3.49Å; T163-E202 HydrophobicContact CG2-CB 4.26Å; T163-E202 VanDerWaalsContact CG2-O 3.31Å; T163-E202 WeakPolarHBondContact CG2-O 3.48Å; T163-S214 WeakPolarHBondContact O-CB 3.42Å; T163-S214 PolarHBondContact O-OG 3.24Å
164H94.7Very high96.8Very high50 Ų5039 Ų3923%0.23119%0.189CC..  trans-67.2129.4-175.7-166.9-60.8000111.5E113 M160 Q161 P162 I166 R167 L168E113-H164 IonicContact OE2-NE2 3.61Å; M160-H164 HydrophobicContact CB-CB 4.44Å; M160-H164 HydrophobicContact CE-CB 4.18Å; M160-H164 VanDerWaalsContact CE-CE1 3.43Å; M160-H164 WeakPolarHBondContact CE-CE1 3.49Å; M160-H164 VanDerWaalsContact CE-CG 3.45Å; M160-H164 VanDerWaalsContact CE-ND1 3.27Å; M160-H164 WeakPolarHBondContact CE-ND1 3.31Å; Q161-H164 WeakPolarHBondContact O-CB 3.1Å; Q161-H164 PolarHBondContact O-N 3.24Å; P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 3.39Å; H164-I166 VanDerWaalsContact C-N 3.33Å; H164-I166 PolarHBondContact ND1-N 2.68Å; H164-I166 PolarHBondContact O-N 3.39Å; H164-I166 VanDerWaalsContact O-N 3.16Å; H164-R167 HydrophobicContact CB-CB 4.31Å; H164-R167 PolarHBondContact O-N 2.9Å; H164-L168 PolarHBondContact O-N 3.47Å
165P95Very high96.7Very high20 Ų2035 Ų3513%0.1317%0.168CC..Hα-helixtrans-52.8-43.5-175.6-26.928.7000114.7L168 G169 D213 S214 I217P165-L168 PolarHBondContact O-N 3.13Å; P165-G169 PolarHBondContact O-N 3.18Å; P165-D213 HydrophobicContact CB-CB 4.2Å; P165-D213 HydrophobicContact CG-CB 4.13Å; P165-S214 WeakPolarHBondContact CD-OG 3.28Å; P165-S214 WeakPolarHBondContact CG-OG 3.35Å; P165-I217 HydrophobicContact CB-CD1 4.11Å; P165-I217 WeakPolarHBondContact O-CD1 3.48Å
166I95.5Very high96.5Very high21 Ų2134.3 Ų34.311%0.10817%0.166CC..Hα-helixtrans-62.7-41.3177-68.7168.8000112.5E113 V116 F117 M160 H164 G169 L170E113-I166 HydrophobicContact CG-CD1 3.4Å; E113-I166 VanDerWaalsContact CG-CD1 3.4Å; V116-I166 HydrophobicContact CB-CG2 4.23Å; V116-I166 HydrophobicContact CG1-CG2 3.63Å; F117-I166 HydrophobicContact CB-CD1 4.36Å; F117-I166 HydrophobicContact CD2-CD1 3.88Å; F117-I166 HydrophobicContact CD2-CG1 4.12Å; M160-I166 HydrophobicContact CE-CB 3.88Å; M160-I166 HydrophobicContact CE-CG2 4.05Å; H164-I166 VanDerWaalsContact C-N 3.33Å; H164-I166 PolarHBondContact ND1-N 2.68Å; H164-I166 PolarHBondContact O-N 3.39Å; H164-I166 VanDerWaalsContact O-N 3.16Å; I166-G169 PolarHBondContact O-N 2.88Å; I166-L170 WeakPolarHBondContact O-CB 3.5Å; I166-L170 PolarHBondContact O-N 3.48Å
167R97.2Very high96.5Very high24 Ų2434.3 Ų34.39%0.09117%0.166CC..Hα-helixtrans-66.7-45.2177.6177.9173.4167.9173-5.4110.8M160 Q161 H164 L170 A171 E198M160-R167 HydrophobicContact CB-CB 4.47Å; M160-R167 PolarHBondContact O-NH1 3.22Å; Q161-R167 WeakPolarHBondContact O-CD 3.49Å; H164-R167 HydrophobicContact CB-CB 4.31Å; H164-R167 PolarHBondContact O-N 2.9Å; R167-L170 WeakPolarHBondContact O-CB 3.49Å; R167-L170 PolarHBondContact O-N 2.89Å; R167-A171 PolarHBondContact O-N 2.92Å; R167-E198 IonicContact CZ-OE2 3.41Å; R167-E198 IonicContact NH2-OE2 3.83Å; R167-E198 PolarHBondContact NH2-OE2 3.38Å
168L97Very high96.5Very high2 Ų230.7 Ų30.71%0.0115%0.15CC..Hα-helixtrans-60.9-45.6174.4-74171.2000112.1P162 H164 P165 L170 A171 L172 A199 I217 M218 L221P162-L168 WeakPolarHBondContact O-CG 3.23Å; H164-L168 PolarHBondContact O-N 3.47Å; P165-L168 PolarHBondContact O-N 3.13Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.29Å; L168-A171 PolarHBondContact O-N 3.34Å; L168-L172 WeakPolarHBondContact O-CB 3.48Å; L168-L172 PolarHBondContact O-N 2.95Å; L168-A199 HydrophobicContact CD2-CB 3.78Å; L168-I217 HydrophobicContact CB-CB 4.2Å; L168-I217 HydrophobicContact CB-CD1 4.5Å; L168-I217 HydrophobicContact CB-CG2 3.63Å; L168-M218 HydrophobicContact CD1-CG 3.92Å; L168-M218 HydrophobicContact CD1-SD 4.39Å; L168-M218 HydrophobicContact CD2-CG 4.18Å; L168-L221 HydrophobicContact CD2-CD1 3.88Å
169G97.1Very high96.4Very high10 Ų1025.3 Ų25.310%0.10313%0.125CC..Hα-helixtrans-67.2-31.5179.200000113K120 P165 I166 N173K120-G169 VanDerWaalsContact CE-C 3.48Å; K120-G169 VanDerWaalsContact CE-O 3.24Å; K120-G169 WeakPolarHBondContact CE-O 3.44Å; P165-G169 PolarHBondContact O-N 3.18Å; I166-G169 PolarHBondContact O-N 2.88Å; G169-N173 PolarHBondContact O-N 2.93Å; G169-N173 VanDerWaalsContact O-N 3.13Å
170L98.2Very high96.2Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-65.7-49.5169.5169.663.1000110.9V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174V116-L170 HydrophobicContact CG1-CD2 3.97Å; K120-L170 HydrophobicContact CB-CD1 4.03Å; K120-L170 HydrophobicContact CD-CB 4.2Å; K120-L170 HydrophobicContact CG-CB 4.33Å; K120-L170 HydrophobicContact CG-CD1 4.01Å; Y149-L170 HydrophobicContact CD1-CD1 3.67Å; Y149-L170 HydrophobicContact CE1-CD1 4.37Å; A152-L170 VanDerWaalsContact C-CD2 3.43Å; A152-L170 HydrophobicContact CB-CD1 3.88Å; A152-L170 HydrophobicContact CB-CD2 3.59Å; A152-L170 HydrophobicContact CB-CG 4.41Å; A152-L170 WeakPolarHBondContact O-CD2 3.28Å; F153-L170 HydrophobicContact CB-CD2 4.18Å; F153-L170 HydrophobicContact CD2-CD2 4.37Å; I166-L170 WeakPolarHBondContact O-CB 3.5Å; I166-L170 PolarHBondContact O-N 3.48Å; R167-L170 WeakPolarHBondContact O-CB 3.49Å; R167-L170 PolarHBondContact O-N 2.89Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.29Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 3.42Å; L170-N173 PolarHBondContact O-N 2.84Å; L170-F174 VanDerWaalsContact O-CB 3.31Å; L170-F174 WeakPolarHBondContact O-CB 3.33Å; L170-F174 PolarHBondContact O-N 3.06Å
171A97.9Very high96.3Very high2 Ų224.2 Ų24.22%0.01712%0.12CC..Hα-helixtrans-59.4-42.6178.700000111.8R167 L168 F174 S175 L191 A195R167-A171 PolarHBondContact O-N 2.92Å; L168-A171 PolarHBondContact O-N 3.34Å; A171-F174 PolarHBondContact O-N 3.26Å; A171-S175 WeakPolarHBondContact O-CB 3.24Å; A171-S175 PolarHBondContact O-N 3.15Å; A171-S175 PolarHBondContact O-OG 3.45Å; A171-L191 HydrophobicContact CB-CD2 3.84Å; A171-L191 WeakPolarHBondContact O-CD2 3.08Å; A171-A195 HydrophobicContact CB-CB 3.48Å; A171-A195 VanDerWaalsContact CB-CB 3.48Å
172L97Very high96.3Very high19 Ų1921.7 Ų21.710%0.09911%0.11CC..Hα-helixtrans-55.8-55.3173.8179.565.7000111.2L168 L170 F174 S175 V176 I217 L220 L221 N224L168-L172 WeakPolarHBondContact O-CB 3.48Å; L168-L172 PolarHBondContact O-N 2.95Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 3.42Å; L172-F174 VanDerWaalsContact C-N 3.34Å; L172-F174 PolarHBondContact O-N 3.42Å; L172-S175 PolarHBondContact O-N 3.31Å; L172-S175 PolarHBondContact O-OG 3.45Å; L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 2.98Å; L172-V176 VanDerWaalsContact O-N 3.09Å; L172-I217 HydrophobicContact CB-CG2 4.39Å; L172-I217 HydrophobicContact CD2-CG2 4.25Å; L172-L220 HydrophobicContact CD1-CB 4.21Å; L172-L220 HydrophobicContact CD2-CB 3.89Å; L172-L220 HydrophobicContact CD2-CD1 4Å; L172-L221 HydrophobicContact CB-CD2 3.91Å; L172-L221 HydrophobicContact CB-CG 4.28Å; L172-L221 HydrophobicContact CD1-CD2 3.88Å; L172-L221 HydrophobicContact CD1-CG 4.13Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.35Å
173N96.3Very high96.2Very high32 Ų3227 Ų2717%0.17114%0.138CC..Hα-helixtrans-68.4-32.9-176.6-74.513.3000112.9K120 D124 Y149 G169 L170 V176 F177K120-N173 PolarHBondContact NZ-ND2 3.33Å; D124-N173 VanDerWaalsContact CG-ND2 3.25Å; D124-N173 WeakPolarHBondContact OD1-CB 3.25Å; D124-N173 PolarHBondContact OD1-ND2 3.47Å; D124-N173 PolarHBondContact OD2-ND2 3.2Å; Y149-N173 HydrophobicContact CE1-CB 4.17Å; G169-N173 PolarHBondContact O-N 2.93Å; G169-N173 VanDerWaalsContact O-N 3.13Å; L170-N173 PolarHBondContact O-N 2.84Å; N173-V176 PolarHBondContact O-N 3.45Å; N173-F177 PolarHBondContact O-N 3.32Å
174F98.1Very high96.1Very high1 Ų129.6 Ų29.60%0.00415%0.151CC..Hα-helixtrans-71.6-37.4176.8-160.4-177000111.3Y149 Q150 F153 L170 A171 L172 V176 F177 Y178 L191Y149-F174 HydrophobicContact CD1-CB 4.45Å; Y149-F174 AromaticContact CD2-CD2 3.96Å; Y149-F174 HydrophobicContact CD2-CD2 3.96Å; Y149-F174 HydrophobicContact CD2-CE2 4.31Å; Y149-F174 HydrophobicContact CG-CB 4.4Å; Y149-F174 AromaticContact CG-CD2 3.92Å; Y149-F174 HydrophobicContact CG-CD2 3.92Å; Y149-F174 HydrophobicContact CG-CE2 4.31Å; Y149-F174 HydrophobicContact CG-CG 4.12Å; Q150-F174 HydrophobicContact CB-CZ 4.45Å; F153-F174 HydrophobicContact CB-CD1 4.28Å; F153-F174 HydrophobicContact CB-CE1 4.21Å; F153-F174 HydrophobicContact CD2-CD1 4.41Å; F153-F174 HydrophobicContact CG-CD1 4.33Å; F153-F174 HydrophobicContact CG-CE1 4.42Å; L170-F174 VanDerWaalsContact O-CB 3.31Å; L170-F174 WeakPolarHBondContact O-CB 3.33Å; L170-F174 PolarHBondContact O-N 3.06Å; A171-F174 PolarHBondContact O-N 3.26Å; L172-F174 VanDerWaalsContact C-N 3.34Å; L172-F174 PolarHBondContact O-N 3.42Å; F174-V176 VanDerWaalsContact C-N 3.33Å; F174-V176 PolarHBondContact O-N 3.04Å; F174-F177 HydrophobicContact CD2-CB 4.33Å; F174-F177 AromaticContact CD2-CD1 3.94Å; F174-F177 HydrophobicContact CD2-CD1 3.94Å; F174-F177 AromaticContact CE2-CD1 3.89Å; F174-F177 HydrophobicContact CE2-CD1 3.89Å; F174-F177 HydrophobicContact CE2-CE1 4.35Å; F174-F177 WeakPolarHBondContact O-CB 3.44Å; F174-F177 PolarHBondContact O-N 3.47Å; F174-Y178 HydrophobicContact CD1-CE2 4.23Å; F174-Y178 AromaticContact CD2-CD2 3.76Å; F174-Y178 HydrophobicContact CD2-CD2 3.76Å; F174-Y178 AromaticContact CD2-CE2 3.44Å; F174-Y178 HydrophobicContact CD2-CE2 3.44Å; F174-Y178 VanDerWaalsContact CD2-CE2 3.44Å; F174-Y178 HydrophobicContact CE1-CE2 4.03Å; F174-Y178 AromaticContact CE2-CD2 3.93Å; F174-Y178 HydrophobicContact CE2-CD2 3.93Å; F174-Y178 HydrophobicContact CE2-CE1 4.47Å; F174-Y178 AromaticContact CE2-CE2 3.21Å; F174-Y178 HydrophobicContact CE2-CE2 3.21Å; F174-Y178 AromaticContact CE2-CZ 3.54Å; F174-Y178 HydrophobicContact CG-CD2 4.32Å; F174-Y178 AromaticContact CG-CE2 3.97Å; F174-Y178 HydrophobicContact CG-CE2 3.97Å; F174-Y178 AromaticContact CZ-CE2 3.54Å; F174-Y178 HydrophobicContact CZ-CE2 3.54Å; F174-Y178 AromaticContact CZ-CZ 3.72Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.42Å; F174-Y178 VanDerWaalsContact O-CD2 3.22Å; F174-Y178 WeakPolarHBondContact O-CD2 3.24Å; F174-Y178 PolarHBondContact O-N 3.4Å; F174-L191 HydrophobicContact CB-CD1 4.21Å; F174-L191 HydrophobicContact CB-CD2 4.43Å; F174-L191 HydrophobicContact CD1-CD1 3.75Å; F174-L191 HydrophobicContact CE1-CD1 4.34Å; F174-L191 HydrophobicContact CG-CD1 3.96Å
175S96.9Very high96.1Very high5 Ų528.5 Ų28.54%0.03515%0.148CC..Hα-helixtrans-60.7-43.1171.772.40000111.6A171 L172 F177 Y178 Y179 A188A171-S175 WeakPolarHBondContact O-CB 3.24Å; A171-S175 PolarHBondContact O-N 3.15Å; A171-S175 PolarHBondContact O-OG 3.45Å; L172-S175 PolarHBondContact O-N 3.31Å; L172-S175 PolarHBondContact O-OG 3.45Å; S175-F177 VanDerWaalsContact C-N 3.32Å; S175-F177 PolarHBondContact O-N 3.46Å; S175-Y178 PolarHBondContact O-N 2.88Å; S175-Y179 PolarHBondContact O-N 3.22Å; S175-A188 VanDerWaalsContact O-CB 3.22Å; S175-A188 WeakPolarHBondContact O-CB 3.27Å
176V95.2Very high96Very high26 Ų2632.7 Ų32.716%0.15817%0.166CC..Hα-helixtrans-63.5-38175.1174.20000111.2L172 N173 F174 Y179 E180 N224L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 2.98Å; L172-V176 VanDerWaalsContact O-N 3.09Å; N173-V176 PolarHBondContact O-N 3.45Å; F174-V176 VanDerWaalsContact C-N 3.33Å; F174-V176 PolarHBondContact O-N 3.04Å; V176-Y179 PolarHBondContact O-N 2.9Å; V176-E180 VanDerWaalsContact CG1-CD 3.46Å; V176-E180 HydrophobicContact CG1-CG 3.89Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.05Å; V176-E180 WeakPolarHBondContact O-CB 3.02Å; V176-E180 PolarHBondContact O-N 3.29Å; V176-N224 WeakPolarHBondContact CG2-ND2 3.31Å
177F97.2Very high95.9Very high0 Ų034.9 Ų34.90%018%0.178CC..Hα-helixtrans-62.2-46.7173.6173.3-95.6000112.3R127 I142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182R127-F177 HydrophobicContact CB-CD2 4.22Å; R127-F177 HydrophobicContact CG-CD2 4.24Å; I142-F177 HydrophobicContact CG2-CZ 4.07Å; S145-F177 WeakPolarHBondContact OG-CD2 3.46Å; S145-F177 VanDerWaalsContact OG-CE2 3.31Å; S145-F177 WeakPolarHBondContact OG-CE2 3.24Å; Q146-F177 HydrophobicContact CB-CE1 3.76Å; Q146-F177 HydrophobicContact CB-CZ 3.79Å; Q146-F177 HydrophobicContact CG-CE1 4.05Å; Y149-F177 HydrophobicContact CD2-CB 4.17Å; Y149-F177 HydrophobicContact CD2-CD1 4.31Å; Y149-F177 HydrophobicContact CD2-CD2 4.29Å; Y149-F177 HydrophobicContact CD2-CG 4Å; Y149-F177 HydrophobicContact CE2-CB 3.75Å; Y149-F177 AromaticContact CE2-CD2 3.93Å; Y149-F177 HydrophobicContact CE2-CD2 3.93Å; Y149-F177 AromaticContact CE2-CG 3.85Å; Y149-F177 HydrophobicContact CE2-CG 3.85Å; N173-F177 PolarHBondContact O-N 3.32Å; F174-F177 HydrophobicContact CD2-CB 4.33Å; F174-F177 AromaticContact CD2-CD1 3.94Å; F174-F177 HydrophobicContact CD2-CD1 3.94Å; F174-F177 AromaticContact CE2-CD1 3.89Å; F174-F177 HydrophobicContact CE2-CD1 3.89Å; F174-F177 HydrophobicContact CE2-CE1 4.35Å; F174-F177 WeakPolarHBondContact O-CB 3.44Å; F174-F177 PolarHBondContact O-N 3.47Å; S175-F177 VanDerWaalsContact C-N 3.32Å; S175-F177 PolarHBondContact O-N 3.46Å; F177-Y179 VanDerWaalsContact C-N 3.25Å; F177-Y179 PolarHBondContact O-N 3.4Å; F177-I181 HydrophobicContact CD2-CB 3.78Å; F177-I181 HydrophobicContact CD2-CG1 3.71Å; F177-I181 HydrophobicContact CD2-CG2 4.09Å; F177-I181 HydrophobicContact CE2-CB 3.83Å; F177-I181 HydrophobicContact CE2-CG1 4.11Å; F177-I181 HydrophobicContact CE2-CG2 3.62Å; F177-I181 HydrophobicContact CG-CB 4.42Å; F177-I181 HydrophobicContact CG-CG1 4.49Å; F177-I181 HydrophobicContact CZ-CG2 4.21Å; F177-I181 VanDerWaalsContact O-CB 3.29Å; F177-I181 WeakPolarHBondContact O-CB 3.05Å; F177-I181 PolarHBondContact O-N 2.96Å; F177-L182 HydrophobicContact CD1-CD1 4.1Å; F177-L182 HydrophobicContact CD1-CG 4.26Å; F177-L182 HydrophobicContact CE1-CD1 3.49Å; F177-L182 VanDerWaalsContact CE1-CD1 3.49Å; F177-L182 HydrophobicContact CE1-CD2 4.26Å; F177-L182 HydrophobicContact CE1-CG 3.67Å; F177-L182 HydrophobicContact CZ-CD1 4.26Å; F177-L182 HydrophobicContact CZ-CD2 4.23Å; F177-L182 HydrophobicContact CZ-CG 4.06Å; F177-L182 PolarHBondContact O-N 2.93Å
178Y96.9Very high95.8Very high19 Ų1933.9 Ų33.98%0.07518%0.175CC..Hα-helixtrans-58.6-40.3175.3-81.6-66.2000111.9F174 S175 L182 N183 N184 L187 L191F174-Y178 HydrophobicContact CD1-CE2 4.23Å; F174-Y178 AromaticContact CD2-CD2 3.76Å; F174-Y178 HydrophobicContact CD2-CD2 3.76Å; F174-Y178 AromaticContact CD2-CE2 3.44Å; F174-Y178 HydrophobicContact CD2-CE2 3.44Å; F174-Y178 VanDerWaalsContact CD2-CE2 3.44Å; F174-Y178 HydrophobicContact CE1-CE2 4.03Å; F174-Y178 AromaticContact CE2-CD2 3.93Å; F174-Y178 HydrophobicContact CE2-CD2 3.93Å; F174-Y178 HydrophobicContact CE2-CE1 4.47Å; F174-Y178 AromaticContact CE2-CE2 3.21Å; F174-Y178 HydrophobicContact CE2-CE2 3.21Å; F174-Y178 AromaticContact CE2-CZ 3.54Å; F174-Y178 HydrophobicContact CG-CD2 4.32Å; F174-Y178 AromaticContact CG-CE2 3.97Å; F174-Y178 HydrophobicContact CG-CE2 3.97Å; F174-Y178 AromaticContact CZ-CE2 3.54Å; F174-Y178 HydrophobicContact CZ-CE2 3.54Å; F174-Y178 AromaticContact CZ-CZ 3.72Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.42Å; F174-Y178 VanDerWaalsContact O-CD2 3.22Å; F174-Y178 WeakPolarHBondContact O-CD2 3.24Å; F174-Y178 PolarHBondContact O-N 3.4Å; S175-Y178 PolarHBondContact O-N 2.88Å; Y178-L182 HydrophobicContact CD1-CB 4.5Å; Y178-L182 HydrophobicContact CD1-CD1 3.51Å; Y178-L182 HydrophobicContact CE1-CD1 3.59Å; Y178-L182 CarbonylContact O-C 3.5Å; Y178-N183 PolarHBondContact O-N 3.06Å; Y178-N184 PolarHBondContact O-N 3.43Å; Y178-L187 HydrophobicContact CD1-CB 4.27Å; Y178-L187 HydrophobicContact CD1-CD2 3.46Å; Y178-L187 VanDerWaalsContact CD1-CD2 3.46Å; Y178-L187 HydrophobicContact CD1-CG 3.8Å; Y178-L187 HydrophobicContact CD2-CG 4.24Å; Y178-L187 HydrophobicContact CE1-CD2 3.16Å; Y178-L187 HydrophobicContact CE1-CG 3.86Å; Y178-L187 HydrophobicContact CE2-CD2 4.31Å; Y178-L187 HydrophobicContact CE2-CG 4.26Å; Y178-L187 HydrophobicContact CG-CB 4.44Å; Y178-L187 HydrophobicContact CG-CD2 4.19Å; Y178-L187 HydrophobicContact CG-CG 4.02Å; Y178-L191 HydrophobicContact CD2-CD1 3.92Å; Y178-L191 HydrophobicContact CE2-CD1 3.65Å
179Y95.1Very high95.7Very high55 Ų5534.5 Ų34.522%0.21618%0.179CC..Hα-helixtrans-69.9-62.5178.3-174.9-105.8000112.7S175 V176 F177 N183 P185 F227 T228 E231S175-Y179 PolarHBondContact O-N 3.22Å; V176-Y179 PolarHBondContact O-N 2.9Å; F177-Y179 VanDerWaalsContact C-N 3.25Å; F177-Y179 PolarHBondContact O-N 3.4Å; Y179-N183 WeakPolarHBondContact O-CA 3.48Å; Y179-N183 PolarHBondContact O-N 3.18Å; Y179-P185 HydrophobicContact CD2-CB 3.95Å; Y179-P185 HydrophobicContact CE2-CB 4.07Å; Y179-F227 HydrophobicContact CE1-CE1 4.19Å; Y179-T228 HydrophobicContact CD2-CG2 3.44Å; Y179-T228 VanDerWaalsContact CD2-CG2 3.44Å; Y179-T228 HydrophobicContact CE2-CG2 3.64Å; Y179-T228 HydrophobicContact CG-CG2 4.34Å; Y179-E231 PolarHBondContact OH-OE2 2.95Å
180E93.3Very high95.6Very high89 Ų8938 Ų3842%0.41620%0.198SC..Hα-helixtrans-77.8-30.6-168.8-64-174.6158.400113.6V176V176-E180 VanDerWaalsContact CG1-CD 3.46Å; V176-E180 HydrophobicContact CG1-CG 3.89Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.05Å; V176-E180 WeakPolarHBondContact O-CB 3.02Å; V176-E180 PolarHBondContact O-N 3.29Å
181I96.2Very high95.5Very high7 Ų738.8 Ų38.84%0.03620%0.202CC..THydrogen-bonded Turntrans-106.1-43.6-169.4-54.3-63.7000112R127 A130 E131 R138 I142 F177R127-I181 HydrophobicContact CG-CD1 4Å; R127-I181 HydrophobicContact CG-CG1 3.82Å; A130-I181 HydrophobicContact CB-CD1 4.41Å; A130-I181 HydrophobicContact CB-CG2 4.23Å; E131-I181 HydrophobicContact CG-CD1 4.08Å; R138-I181 PolarHBondContact NH2-O 2.79Å; I142-I181 HydrophobicContact CD1-CG2 3.66Å; I142-I181 HydrophobicContact CG1-CG2 3.51Å; I142-I181 HydrophobicContact CG2-CG2 4.44Å; F177-I181 HydrophobicContact CD2-CB 3.78Å; F177-I181 HydrophobicContact CD2-CG1 3.71Å; F177-I181 HydrophobicContact CD2-CG2 4.09Å; F177-I181 HydrophobicContact CE2-CB 3.83Å; F177-I181 HydrophobicContact CE2-CG1 4.11Å; F177-I181 HydrophobicContact CE2-CG2 3.62Å; F177-I181 HydrophobicContact CG-CB 4.42Å; F177-I181 HydrophobicContact CG-CG1 4.49Å; F177-I181 HydrophobicContact CZ-CG2 4.21Å; F177-I181 VanDerWaalsContact O-CB 3.29Å; F177-I181 WeakPolarHBondContact O-CB 3.05Å; F177-I181 PolarHBondContact O-N 2.96Å
182L95.7Very high95.3Very high57 Ų5738.8 Ų38.830%0.29820%0.202SC..THydrogen-bonded Turntrans-92.1-7.9179.4-62.3-175.6000113.5I142 F177 Y178 N184I142-L182 HydrophobicContact CG2-CD2 3.6Å; F177-L182 HydrophobicContact CD1-CD1 4.1Å; F177-L182 HydrophobicContact CD1-CG 4.26Å; F177-L182 HydrophobicContact CE1-CD1 3.49Å; F177-L182 VanDerWaalsContact CE1-CD1 3.49Å; F177-L182 HydrophobicContact CE1-CD2 4.26Å; F177-L182 HydrophobicContact CE1-CG 3.67Å; F177-L182 HydrophobicContact CZ-CD1 4.26Å; F177-L182 HydrophobicContact CZ-CD2 4.23Å; F177-L182 HydrophobicContact CZ-CG 4.06Å; F177-L182 PolarHBondContact O-N 2.93Å; Y178-L182 HydrophobicContact CD1-CB 4.5Å; Y178-L182 HydrophobicContact CD1-CD1 3.51Å; Y178-L182 HydrophobicContact CE1-CD1 3.59Å; Y178-L182 CarbonylContact O-C 3.5Å; L182-N184 HydrophobicContact CB-CB 4.49Å; L182-N184 PolarHBondContact O-N 3.25Å
183N94Very high95.2Very high124 Ų12443.2 Ų43.266%0.66322%0.221SC*.  trans50.742.2-176.4-59.1-54000112.3Y178 Y179 P185Y178-N183 PolarHBondContact O-N 3.06Å; Y179-N183 WeakPolarHBondContact O-CA 3.48Å; Y179-N183 PolarHBondContact O-N 3.18Å; N183-P185 VanDerWaalsContact C-CD 3.41Å; N183-P185 VanDerWaalsContact O-CD 3.28Å; N183-P185 WeakPolarHBondContact O-CD 3.34Å
184N94.5Very high95.2Very high58 Ų5844.4 Ų44.431%0.3123%0.23SC..  trans-11976.3179.6-167.7-32.1000110.2Y178 L182 E186 L187 A188Y178-N184 PolarHBondContact O-N 3.43Å; L182-N184 HydrophobicContact CB-CB 4.49Å; L182-N184 PolarHBondContact O-N 3.25Å; N184-E186 VanDerWaalsContact C-N 3.3Å; N184-E186 PolarHBondContact O-N 2.83Å; N184-L187 HydrophobicContact CB-CB 4.36Å; N184-L187 PolarHBondContact O-N 3.17Å; N184-L187 WeakPolarHBondContact OD1-CB 3.32Å; N184-L187 PolarHBondContact OD1-N 2.86Å; N184-A188 PolarHBondContact O-N 3.05Å
185P93.2Very high95.1Very high27 Ų2744.9 Ų44.918%0.17523%0.234CC..Hα-helixtrans-62.6-31.7-178.223.9-33.8000113.5Y179 N183 A188 C189 T228 L232Y179-P185 HydrophobicContact CD2-CB 3.95Å; Y179-P185 HydrophobicContact CE2-CB 4.07Å; N183-P185 VanDerWaalsContact C-CD 3.41Å; N183-P185 VanDerWaalsContact O-CD 3.28Å; N183-P185 WeakPolarHBondContact O-CD 3.34Å; P185-A188 PolarHBondContact O-N 3.12Å; P185-C189 WeakPolarHBondContact O-CB 3.33Å; P185-C189 PolarHBondContact O-N 2.72Å; P185-T228 HydrophobicContact CB-CG2 3.91Å; P185-L232 HydrophobicContact CB-CD1 4.02Å; P185-L232 HydrophobicContact CB-CD2 3.67Å; P185-L232 HydrophobicContact CB-CG 3.83Å; P185-L232 HydrophobicContact CG-CD2 3.42Å; P185-L232 VanDerWaalsContact CG-CD2 3.42Å; P185-L232 HydrophobicContact CG-CG 4.17Å
186E93Very high95.1Very high109 Ų10946.8 Ų46.851%0.50924%0.241SC..Hα-helixtrans-64.7-45.4178.5-6379.4-174.600111.5N184 C189 T190 L232N184-E186 VanDerWaalsContact C-N 3.3Å; N184-E186 PolarHBondContact O-N 2.83Å; E186-C189 PolarHBondContact O-N 3Å; E186-T190 WeakPolarHBondContact O-CB 3.4Å; E186-T190 PolarHBondContact O-N 2.86Å; E186-T190 PolarHBondContact O-OG1 3.4Å; E186-L232 HydrophobicContact CG-CD1 4.38Å; E186-L232 HydrophobicContact CG-CD2 4.44Å; E186-L232 WeakPolarHBondContact OE1-CD2 3.1Å
187L94.1Very high95.1Very high67 Ų6748.9 Ų48.935%0.35125%0.252SS..Hα-helixtrans-70.4-36177.4-173.252.2000111.4Y178 N184 T190 L191Y178-L187 HydrophobicContact CD1-CB 4.27Å; Y178-L187 HydrophobicContact CD1-CD2 3.46Å; Y178-L187 VanDerWaalsContact CD1-CD2 3.46Å; Y178-L187 HydrophobicContact CD1-CG 3.8Å; Y178-L187 HydrophobicContact CD2-CG 4.24Å; Y178-L187 HydrophobicContact CE1-CD2 3.16Å; Y178-L187 HydrophobicContact CE1-CG 3.86Å; Y178-L187 HydrophobicContact CE2-CD2 4.31Å; Y178-L187 HydrophobicContact CE2-CG 4.26Å; Y178-L187 HydrophobicContact CG-CB 4.44Å; Y178-L187 HydrophobicContact CG-CD2 4.19Å; Y178-L187 HydrophobicContact CG-CG 4.02Å; N184-L187 HydrophobicContact CB-CB 4.36Å; N184-L187 PolarHBondContact O-N 3.17Å; N184-L187 WeakPolarHBondContact OD1-CB 3.32Å; N184-L187 PolarHBondContact OD1-N 2.86Å; L187-T190 PolarHBondContact O-N 3.44Å; L187-L191 WeakPolarHBondContact O-CB 3.49Å; L187-L191 PolarHBondContact O-N 3.13Å
188A94.7Very high95Very high3 Ų351.9 Ų51.93%0.02527%0.266CS..Hα-helixtrans-59.8-50.4172.300000111.9S175 N184 P185 T190 L191 A192 T228S175-A188 VanDerWaalsContact O-CB 3.22Å; S175-A188 WeakPolarHBondContact O-CB 3.27Å; N184-A188 PolarHBondContact O-N 3.05Å; P185-A188 PolarHBondContact O-N 3.12Å; A188-T190 PolarHBondContact O-N 2.75Å; A188-L191 PolarHBondContact O-N 3.44Å; A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.38Å; A188-T228 HydrophobicContact CB-CG2 4.45Å
189C94.3Very high95Very high15 Ų1551 Ų5110%0.10126%0.262CS..Hα-helixtrans-59.5-45.7175.6-83.70000111.1P185 E186 L191 A192 K193 L225 T228 C229P185-C189 WeakPolarHBondContact O-CB 3.33Å; P185-C189 PolarHBondContact O-N 2.72Å; E186-C189 PolarHBondContact O-N 3Å; C189-L191 PolarHBondContact O-N 3.02Å; C189-A192 PolarHBondContact O-N 3.11Å; C189-K193 WeakPolarHBondContact O-CB 3.39Å; C189-K193 PolarHBondContact O-N 3.21Å; C189-L225 HydrophobicContact CB-CD2 4.34Å; C189-L225 VanDerWaalsContact O-CD2 3.29Å; C189-L225 WeakPolarHBondContact O-CD2 3.39Å; C189-T228 VanDerWaalsContact SG-CG2 3.6Å; C189-C229 WeakPolarHBondContact CB-SG 3.42Å; C189-C229 WeakPolarHBondContact SG-CA 3.41Å; C189-C229 WeakPolarHBondContact SG-CB 3.43Å; C189-C229 PolarHBondContact SG-N 2.69Å; C189-C229 CovalentContact SG-SG 2.07Å; C189-C229 PolarHBondContact SG-SG 3.25Å
190T95.3Very high94.9Very high82 Ų8252.3 Ų52.350%0.50327%0.272SS..Hα-helixtrans-60.4-48.1179.7-58.60000111.2E186 L187 A188 K193 T194E186-T190 WeakPolarHBondContact O-CB 3.4Å; E186-T190 PolarHBondContact O-N 2.86Å; E186-T190 PolarHBondContact O-OG1 3.4Å; L187-T190 PolarHBondContact O-N 3.44Å; A188-T190 PolarHBondContact O-N 2.75Å; T190-K193 PolarHBondContact O-N 2.94Å; T190-T194 WeakPolarHBondContact O-CB 3.41Å; T190-T194 PolarHBondContact O-N 3.26Å; T190-T194 PolarHBondContact O-OG1 2.7Å; T190-T194 VanDerWaalsContact O-OG1 3.05Å
191L95.9Very high95Very high17 Ų1751.7 Ų51.79%0.08928%0.283CS..Hα-helixtrans-63.8-47.5-178.5-168.5155000111.7F153 A171 F174 Y178 L187 A188 C189 A195F153-L191 HydrophobicContact CZ-CD1 4.45Å; F153-L191 HydrophobicContact CZ-CG 4.38Å; A171-L191 HydrophobicContact CB-CD2 3.84Å; A171-L191 WeakPolarHBondContact O-CD2 3.08Å; F174-L191 HydrophobicContact CB-CD1 4.21Å; F174-L191 HydrophobicContact CB-CD2 4.43Å; F174-L191 HydrophobicContact CD1-CD1 3.75Å; F174-L191 HydrophobicContact CE1-CD1 4.34Å; F174-L191 HydrophobicContact CG-CD1 3.96Å; Y178-L191 HydrophobicContact CD2-CD1 3.92Å; Y178-L191 HydrophobicContact CE2-CD1 3.65Å; L187-L191 WeakPolarHBondContact O-CB 3.49Å; L187-L191 PolarHBondContact O-N 3.13Å; A188-L191 PolarHBondContact O-N 3.44Å; C189-L191 PolarHBondContact O-N 3.02Å; L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 3Å; L191-A195 VanDerWaalsContact O-N 3.08Å
192A95Very high94.9Very high2 Ų254.7 Ų54.72%0.01730%0.296CS..Hα-helixtrans-64.4-40.817900000112A188 C189 F196 L221 L225A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.38Å; C189-A192 PolarHBondContact O-N 3.11Å; A192-F196 WeakPolarHBondContact O-CB 3.34Å; A192-F196 PolarHBondContact O-N 2.92Å; A192-L221 HydrophobicContact CB-CD2 3.87Å; A192-L225 HydrophobicContact CB-CD1 4.4Å; A192-L225 HydrophobicContact CB-CD2 3.74Å; A192-L225 HydrophobicContact CB-CG 3.88Å
193K95.2Very high94.6Very high112 Ų11254.7 Ų54.749%0.48730%0.296SS..Hα-helixtrans-66.2-47.2178.4-175.7179.4-177.4-61.60111.5C189 T190 A195 F196 D197 L225C189-K193 WeakPolarHBondContact O-CB 3.39Å; C189-K193 PolarHBondContact O-N 3.21Å; T190-K193 PolarHBondContact O-N 2.94Å; K193-A195 VanDerWaalsContact C-N 3.35Å; K193-A195 PolarHBondContact O-N 3.48Å; K193-F196 PolarHBondContact O-N 3.37Å; K193-D197 IonicContact NZ-OD2 3.95Å; K193-D197 PolarHBondContact NZ-OD2 2.86Å; K193-D197 WeakPolarHBondContact O-CB 3.49Å; K193-D197 VanDerWaalsContact O-CG 3.28Å; K193-D197 PolarHBondContact O-N 2.95Å; K193-L225 HydrophobicContact CB-CD1 4.22Å; K193-L225 HydrophobicContact CB-CD2 3.97Å
194T96.2Very high94.3Very high58 Ų5855.6 Ų55.636%0.35630%0.301SS..Hα-helixtrans-58.7-46.6177.1-64.50000111.2T190 F196 D197 E198T190-T194 WeakPolarHBondContact O-CB 3.41Å; T190-T194 PolarHBondContact O-N 3.26Å; T190-T194 PolarHBondContact O-OG1 2.7Å; T190-T194 VanDerWaalsContact O-OG1 3.05Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 3Å; T194-D197 PolarHBondContact O-N 3.05Å; T194-E198 HydrophobicContact CG2-CG 4.25Å; T194-E198 VanDerWaalsContact CG2-OE1 3.3Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.25Å; T194-E198 WeakPolarHBondContact O-CB 3.31Å; T194-E198 VanDerWaalsContact O-CG 3.25Å; T194-E198 WeakPolarHBondContact O-CG 3.46Å; T194-E198 PolarHBondContact O-N 3.44Å
195A96.2Very high93.9Very high11 Ų1156.5 Ų56.59%0.09131%0.309CS..Hα-helixtrans-62.8-39.6177.900000112.8A171 L191 K193 A199 L221A171-A195 HydrophobicContact CB-CB 3.48Å; A171-A195 VanDerWaalsContact CB-CB 3.48Å; L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 3Å; L191-A195 VanDerWaalsContact O-N 3.08Å; K193-A195 VanDerWaalsContact C-N 3.35Å; K193-A195 PolarHBondContact O-N 3.48Å; A195-A199 WeakPolarHBondContact O-CB 3.38Å; A195-A199 PolarHBondContact O-N 2.74Å; A195-A199 VanDerWaalsContact O-N 3.13Å; A195-L221 HydrophobicContact CB-CD1 4.41Å
196F95.2Very high93.5Very high44 Ų4456.4 Ų56.419%0.19331%0.307CS..Hα-helixtrans-65.7-48.2176.3-176-90.6000111.9A192 K193 T194 A199 I200 M218 L221 R222A192-F196 WeakPolarHBondContact O-CB 3.34Å; A192-F196 PolarHBondContact O-N 2.92Å; K193-F196 PolarHBondContact O-N 3.37Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 3Å; F196-A199 PolarHBondContact O-N 3.1Å; F196-I200 HydrophobicContact CD1-CG1 4.01Å; F196-I200 HydrophobicContact CE1-CD1 4.2Å; F196-I200 HydrophobicContact CE1-CG1 3.64Å; F196-I200 HydrophobicContact CZ-CD1 4.04Å; F196-I200 HydrophobicContact CZ-CG1 3.94Å; F196-I200 WeakPolarHBondContact O-CG1 3.27Å; F196-I200 PolarHBondContact O-N 3.27Å; F196-M218 HydrophobicContact CD2-CB 4.16Å; F196-M218 WeakPolarHBondContact CD2-O 3.38Å; F196-M218 HydrophobicContact CE2-CB 4.07Å; F196-M218 HydrophobicContact CE2-CE 4.37Å; F196-M218 WeakPolarHBondContact CE2-O 3.49Å; F196-L221 HydrophobicContact CD2-CB 4.44Å; F196-R222 HydrophobicContact CE2-CB 4.11Å
197D96.1Very high93.1Very high71 Ų7155.4 Ų55.438%0.3831%0.305SS..Hα-helixtrans-64.2-42.9-179-69.5-16.4000111.5K193 T194 A199 I200 A201K193-D197 IonicContact NZ-OD2 3.95Å; K193-D197 PolarHBondContact NZ-OD2 2.86Å; K193-D197 WeakPolarHBondContact O-CB 3.49Å; K193-D197 VanDerWaalsContact O-CG 3.28Å; K193-D197 PolarHBondContact O-N 2.95Å; T194-D197 PolarHBondContact O-N 3.05Å; D197-A199 PolarHBondContact O-N 3.4Å; D197-I200 PolarHBondContact O-N 2.88Å; D197-A201 WeakPolarHBondContact O-CB 3.43Å; D197-A201 PolarHBondContact O-N 3.14Å
198E95.9Very high92.7Very high62 Ų6260.9 Ų60.929%0.2933%0.328SS..Hα-helixtrans-61.2-42174.9-72.3175.8-178.600111.6P162 R167 T194 A201 E202P162-E198 HydrophobicContact CB-CB 3.88Å; P162-E198 HydrophobicContact CG-CB 4.36Å; R167-E198 IonicContact CZ-OE2 3.41Å; R167-E198 IonicContact NH2-OE2 3.83Å; R167-E198 PolarHBondContact NH2-OE2 3.38Å; T194-E198 HydrophobicContact CG2-CG 4.25Å; T194-E198 VanDerWaalsContact CG2-OE1 3.3Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.25Å; T194-E198 WeakPolarHBondContact O-CB 3.31Å; T194-E198 VanDerWaalsContact O-CG 3.25Å; T194-E198 WeakPolarHBondContact O-CG 3.46Å; T194-E198 PolarHBondContact O-N 3.44Å; E198-A201 PolarHBondContact O-N 2.81Å; E198-E202 PolarHBondContact O-N 3.48Å
199A95.2Very high92.3Very high0 Ų068 Ų680%037%0.366CS..Hα-helixtrans-71.8-33.9179.200000113.3T163 L168 A195 F196 D197 A201 L203 M218T163-A199 HydrophobicContact CG2-CB 4.32Å; T163-A199 WeakPolarHBondContact CG2-O 3.49Å; L168-A199 HydrophobicContact CD2-CB 3.78Å; A195-A199 WeakPolarHBondContact O-CB 3.38Å; A195-A199 PolarHBondContact O-N 2.74Å; A195-A199 VanDerWaalsContact O-N 3.13Å; F196-A199 PolarHBondContact O-N 3.1Å; D197-A199 PolarHBondContact O-N 3.4Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A199-L203 WeakPolarHBondContact O-CA 3.48Å; A199-L203 PolarHBondContact O-N 2.96Å; A199-L203 VanDerWaalsContact O-N 3.1Å; A199-M218 HydrophobicContact CB-CE 3.99Å; A199-M218 HydrophobicContact CB-CG 4.4Å; A199-M218 HydrophobicContact CB-SD 4.02Å
200I94.2Very high92.1Very high84 Ų8468.4 Ų68.443%0.43137%0.369SS..Hα-helixtrans-64.9-40172-71.7-70.2000110.8F196 D197 E202 L203 M218F196-I200 HydrophobicContact CD1-CG1 4.01Å; F196-I200 HydrophobicContact CE1-CD1 4.2Å; F196-I200 HydrophobicContact CE1-CG1 3.64Å; F196-I200 HydrophobicContact CZ-CD1 4.04Å; F196-I200 HydrophobicContact CZ-CG1 3.94Å; F196-I200 WeakPolarHBondContact O-CG1 3.27Å; F196-I200 PolarHBondContact O-N 3.27Å; D197-I200 PolarHBondContact O-N 2.88Å; I200-E202 PolarHBondContact O-N 3.47Å; I200-L203 PolarHBondContact O-N 2.96Å; I200-M218 HydrophobicContact CD1-CE 3.37Å; I200-M218 HydrophobicContact CG1-CE 3.65Å
201A95Very high91.7Very high76 Ų7670.4 Ų70.463%0.62837%0.368SS*.Hα-helixtrans-64.6-26.7-178.800000113.6D197 E198 A199D197-A201 WeakPolarHBondContact O-CB 3.43Å; D197-A201 PolarHBondContact O-N 3.14Å; E198-A201 PolarHBondContact O-N 2.81Å; A199-A201 VanDerWaalsContact C-N 3.33Å
202E93.4Very high91.5Very high70 Ų7077.3 Ų77.333%0.32740%0.398SS..THydrogen-bonded Turntrans-117.620.4-179.1-61.6-173.2-162.500112.8Q161 P162 T163 E198 I200 D204 T205Q161-E202 PolarHBondContact OE1-OE2 3.02Å; P162-E202 WeakPolarHBondContact CD-OE2 3.35Å; T163-E202 HydrophobicContact CG2-CB 4.26Å; T163-E202 VanDerWaalsContact CG2-O 3.31Å; T163-E202 WeakPolarHBondContact CG2-O 3.48Å; E198-E202 PolarHBondContact O-N 3.48Å; I200-E202 PolarHBondContact O-N 3.47Å; E202-D204 VanDerWaalsContact C-OD1 3.3Å; E202-D204 PolarHBondContact O-N 3.16Å; E202-T205 HydrophobicContact CB-CG2 4.32Å; E202-T205 WeakPolarHBondContact O-CB 3.49Å; E202-T205 PolarHBondContact O-N 3.15Å; E202-T205 PolarHBondContact O-OG1 3.13Å
203L89.9Confident91.3Very high56 Ų5681.4 Ų81.429%0.29342%0.419SS..G310 helixtrans-61.1-27.2-176-17164.5000112.7A199 I200 T205 L206 M218A199-L203 WeakPolarHBondContact O-CA 3.48Å; A199-L203 PolarHBondContact O-N 2.96Å; A199-L203 VanDerWaalsContact O-N 3.1Å; I200-L203 PolarHBondContact O-N 2.96Å; L203-T205 VanDerWaalsContact C-N 3.25Å; L203-T205 PolarHBondContact O-N 2.64Å; L203-L206 HydrophobicContact CD1-CD2 3.9Å; L203-L206 VanDerWaalsContact O-CB 3.26Å; L203-L206 WeakPolarHBondContact O-CB 3.24Å; L203-L206 PolarHBondContact O-N 3.36Å; L203-M218 HydrophobicContact CD1-CE 4.38Å; L203-M218 HydrophobicContact CD1-SD 4.21Å
204D88.8Confident91.1Very high144 Ų14476 Ų7677%0.7740%0.396SS*.G310 helixtrans-68.1-19.9175.461.4-33.5000113.8E202 L206E202-D204 VanDerWaalsContact C-OD1 3.3Å; E202-D204 PolarHBondContact O-N 3.16Å; D204-L206 VanDerWaalsContact C-N 3.33Å
205T85.2Confident90.9Very high76 Ų7675.5 Ų75.547%0.46639%0.393SS..G310 helixtrans-84.6-7.4176.771.30000113.6E202 L203 N207E202-T205 HydrophobicContact CB-CG2 4.32Å; E202-T205 WeakPolarHBondContact O-CB 3.49Å; E202-T205 PolarHBondContact O-N 3.15Å; E202-T205 PolarHBondContact O-OG1 3.13Å; L203-T205 VanDerWaalsContact C-N 3.25Å; L203-T205 PolarHBondContact O-N 2.64Å; T205-N207 PolarHBondContact O-N 2.74Å
206L85.4Confident90.8Very high25 Ų2580 Ų8013%0.13141%0.414CS..  trans-70.9127.4-171.3-172.650.8000111.6L203 D204 Y211L203-L206 HydrophobicContact CD1-CD2 3.9Å; L203-L206 VanDerWaalsContact O-CB 3.26Å; L203-L206 WeakPolarHBondContact O-CB 3.24Å; L203-L206 PolarHBondContact O-N 3.36Å; D204-L206 VanDerWaalsContact C-N 3.33Å; L206-Y211 HydrophobicContact CD2-CD2 3.79Å; L206-Y211 HydrophobicContact CD2-CE2 4.5Å; L206-Y211 HydrophobicContact CD2-CG 4.41Å; L206-Y211 HydrophobicContact CG-CD2 4.23Å
207N83.1Confident90.7Very high88 Ų8879.2 Ų79.247%0.47141%0.412SS..  trans-70.3151.3174.86631.8000111.6T205 D209 S210 Y211T205-N207 PolarHBondContact O-N 2.74Å; N207-D209 VanDerWaalsContact C-N 3.26Å; N207-D209 PolarHBondContact O-N 3.4Å; N207-S210 PolarHBondContact O-N 3.37Å; N207-S210 WeakPolarHBondContact OD1-CA 3.42Å; N207-S210 WeakPolarHBondContact OD1-CB 3.35Å; N207-S210 PolarHBondContact OD1-N 3.5Å; N207-S210 PolarHBondContact OD1-OG 3.4Å; N207-Y211 PolarHBondContact O-N 3.15Å; N207-Y211 VanDerWaalsContact O-N 3.12Å
208E86.7Confident90.5Very high182 Ų18276.3 Ų76.385%0.8540%0.396SS*.Hα-helixtrans-61-37.5-177.1-166.6172.3-17600111.7S210 Y211E208-S210 VanDerWaalsContact C-N 3.32Å; E208-S210 PolarHBondContact O-N 3.24Å; E208-Y211 WeakPolarHBondContact O-CB 3.3Å; E208-Y211 PolarHBondContact O-N 3.25Å
209D86.5Confident90.4Very high153 Ų15376.4 Ų76.482%0.81840%0.397SS*.Hα-helixtrans-63.4-32.5-179.5-65.1-25.4000113.4N207N207-D209 VanDerWaalsContact C-N 3.26Å; N207-D209 PolarHBondContact O-N 3.4Å
210S88.8Confident90.3Very high23 Ų2380 Ų8016%0.16142%0.415CS..Hα-helixtrans-100.9-4-179.6-51.50000113.3N207 E208 K212 D213 S214N207-S210 PolarHBondContact O-N 3.37Å; N207-S210 WeakPolarHBondContact OD1-CA 3.42Å; N207-S210 WeakPolarHBondContact OD1-CB 3.35Å; N207-S210 PolarHBondContact OD1-N 3.5Å; N207-S210 PolarHBondContact OD1-OG 3.4Å; E208-S210 VanDerWaalsContact C-N 3.32Å; E208-S210 PolarHBondContact O-N 3.24Å; S210-K212 VanDerWaalsContact C-N 3.35Å; S210-K212 PolarHBondContact O-N 2.84Å; S210-D213 PolarHBondContact O-N 3.24Å; S210-S214 WeakPolarHBondContact O-CB 3.4Å; S210-S214 PolarHBondContact O-N 3.47Å; S210-S214 PolarHBondContact O-OG 2.86Å
211Y88.7Confident90.2Very high124 Ų12476 Ų7649%0.48640%0.395SS..Hα-helixtrans-58.1-47.2-173.5-175.2-91.3000111.8L206 N207 E208 T215L206-Y211 HydrophobicContact CD2-CD2 3.79Å; L206-Y211 HydrophobicContact CD2-CE2 4.5Å; L206-Y211 HydrophobicContact CD2-CG 4.41Å; L206-Y211 HydrophobicContact CG-CD2 4.23Å; N207-Y211 PolarHBondContact O-N 3.15Å; N207-Y211 VanDerWaalsContact O-N 3.12Å; E208-Y211 WeakPolarHBondContact O-CB 3.3Å; E208-Y211 PolarHBondContact O-N 3.25Å; Y211-T215 HydrophobicContact CD1-CG2 4.18Å; Y211-T215 HydrophobicContact CD2-CG2 4.49Å; Y211-T215 HydrophobicContact CE1-CG2 3.84Å; Y211-T215 HydrophobicContact CE2-CG2 4.17Å; Y211-T215 HydrophobicContact CG-CG2 4.49Å; Y211-T215 WeakPolarHBondContact O-CB 2.93Å; Y211-T215 VanDerWaalsContact O-CG2 3.25Å; Y211-T215 WeakPolarHBondContact O-CG2 3.21Å; Y211-T215 PolarHBondContact O-N 3.14Å; Y211-T215 PolarHBondContact O-OG1 3.42Å
212K90.3Very high90Very high162 Ų16278.1 Ų78.170%0.70439%0.387SS*.Hα-helixtrans-63.7-45.2-178.8-175-176.7175.6-172.90112.4S210 T215 L216S210-K212 VanDerWaalsContact C-N 3.35Å; S210-K212 PolarHBondContact O-N 2.84Å; K212-T215 PolarHBondContact O-OG1 2.96Å; K212-T215 VanDerWaalsContact O-OG1 3.07Å; K212-L216 WeakPolarHBondContact O-CB 3.3Å; K212-L216 PolarHBondContact O-N 2.96Å; K212-L216 VanDerWaalsContact O-N 3.12Å
213D91.2Very high89.8Confident88 Ų8878 Ų7847%0.47139%0.389SS..Hα-helixtrans-70.4-42.6-177.5-73-8.7000111.2P165 S210 L216 I217P165-D213 HydrophobicContact CB-CB 4.2Å; P165-D213 HydrophobicContact CG-CB 4.13Å; S210-D213 PolarHBondContact O-N 3.24Å; D213-L216 PolarHBondContact O-N 3.04Å; D213-I217 WeakPolarHBondContact O-CD1 3.31Å; D213-I217 VanDerWaalsContact O-CG1 3.24Å; D213-I217 WeakPolarHBondContact O-CG1 3.44Å; D213-I217 PolarHBondContact O-N 3.47Å
214S92.2Very high89.4Confident0 Ų077.7 Ų77.70%039%0.387CS..Hα-helixtrans-66.1-45.3-179.8-490000111.4T163 P165 S210 L216 I217 M218T163-S214 WeakPolarHBondContact O-CB 3.42Å; T163-S214 PolarHBondContact O-OG 3.24Å; P165-S214 WeakPolarHBondContact CD-OG 3.28Å; P165-S214 WeakPolarHBondContact CG-OG 3.35Å; S210-S214 WeakPolarHBondContact O-CB 3.4Å; S210-S214 PolarHBondContact O-N 3.47Å; S210-S214 PolarHBondContact O-OG 2.86Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 2.77Å; S214-I217 PolarHBondContact O-N 2.98Å; S214-M218 WeakPolarHBondContact O-CB 3.33Å; S214-M218 VanDerWaalsContact O-CG 3.24Å; S214-M218 WeakPolarHBondContact O-CG 3.44Å; S214-M218 PolarHBondContact O-N 3.25Å
215T91.5Very high89.2Confident47 Ų4772.2 Ų72.229%0.28836%0.358SS..Hα-helixtrans-63.4-38.3177.4510000112.4Y211 K212 M218 Q219Y211-T215 HydrophobicContact CD1-CG2 4.18Å; Y211-T215 HydrophobicContact CD2-CG2 4.49Å; Y211-T215 HydrophobicContact CE1-CG2 3.84Å; Y211-T215 HydrophobicContact CE2-CG2 4.17Å; Y211-T215 HydrophobicContact CG-CG2 4.49Å; Y211-T215 WeakPolarHBondContact O-CB 2.93Å; Y211-T215 VanDerWaalsContact O-CG2 3.25Å; Y211-T215 WeakPolarHBondContact O-CG2 3.21Å; Y211-T215 PolarHBondContact O-N 3.14Å; Y211-T215 PolarHBondContact O-OG1 3.42Å; K212-T215 PolarHBondContact O-OG1 2.96Å; K212-T215 VanDerWaalsContact O-OG1 3.07Å; T215-M218 PolarHBondContact O-N 3.05Å; T215-Q219 WeakPolarHBondContact O-CB 3.39Å; T215-Q219 PolarHBondContact O-N 2.98Å
216L92.7Very high89Confident104 Ų10472.7 Ų72.755%0.54536%0.36SS..Hα-helixtrans-62.5-43173.1-179.763.2000111.8K212 D213 S214 Q219 L220K212-L216 WeakPolarHBondContact O-CB 3.3Å; K212-L216 PolarHBondContact O-N 2.96Å; K212-L216 VanDerWaalsContact O-N 3.12Å; D213-L216 PolarHBondContact O-N 3.04Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 2.77Å; L216-Q219 WeakPolarHBondContact O-CB 3.36Å; L216-Q219 PolarHBondContact O-N 3.46Å; L216-L220 WeakPolarHBondContact O-CG 3.46Å; L216-L220 PolarHBondContact O-N 3.39Å; L216-L220 VanDerWaalsContact O-N 3.1Å
217I93.9Very high88.6Confident28 Ų2876.8 Ų76.814%0.14438%0.378CS..Hα-helixtrans-70-39.3179-61.8163.3000111.3P165 L168 L172 D213 S214 Q219 L220 L221P165-I217 HydrophobicContact CB-CD1 4.11Å; P165-I217 WeakPolarHBondContact O-CD1 3.48Å; L168-I217 HydrophobicContact CB-CB 4.2Å; L168-I217 HydrophobicContact CB-CD1 4.5Å; L168-I217 HydrophobicContact CB-CG2 3.63Å; L172-I217 HydrophobicContact CB-CG2 4.39Å; L172-I217 HydrophobicContact CD2-CG2 4.25Å; D213-I217 WeakPolarHBondContact O-CD1 3.31Å; D213-I217 VanDerWaalsContact O-CG1 3.24Å; D213-I217 WeakPolarHBondContact O-CG1 3.44Å; D213-I217 PolarHBondContact O-N 3.47Å; S214-I217 PolarHBondContact O-N 2.98Å; I217-Q219 VanDerWaalsContact C-N 3.26Å; I217-Q219 PolarHBondContact O-N 3.08Å; I217-L220 WeakPolarHBondContact O-CB 3.49Å; I217-L220 PolarHBondContact O-N 3.32Å; I217-L220 VanDerWaalsContact O-N 3.14Å; I217-L221 PolarHBondContact O-N 2.99Å
218M92.9Very high88.2Confident10 Ų1073.2 Ų73.25%0.04936%0.359CS..Hα-helixtrans-60.8-37.8173.8-70.6170.870.500111.5L168 F196 A199 I200 L203 S214 T215 L221 R222L168-M218 HydrophobicContact CD1-CG 3.92Å; L168-M218 HydrophobicContact CD1-SD 4.39Å; L168-M218 HydrophobicContact CD2-CG 4.18Å; F196-M218 HydrophobicContact CD2-CB 4.16Å; F196-M218 WeakPolarHBondContact CD2-O 3.38Å; F196-M218 HydrophobicContact CE2-CB 4.07Å; F196-M218 HydrophobicContact CE2-CE 4.37Å; F196-M218 WeakPolarHBondContact CE2-O 3.49Å; A199-M218 HydrophobicContact CB-CE 3.99Å; A199-M218 HydrophobicContact CB-CG 4.4Å; A199-M218 HydrophobicContact CB-SD 4.02Å; I200-M218 HydrophobicContact CD1-CE 3.37Å; I200-M218 HydrophobicContact CG1-CE 3.65Å; L203-M218 HydrophobicContact CD1-CE 4.38Å; L203-M218 HydrophobicContact CD1-SD 4.21Å; S214-M218 WeakPolarHBondContact O-CB 3.33Å; S214-M218 VanDerWaalsContact O-CG 3.24Å; S214-M218 WeakPolarHBondContact O-CG 3.44Å; S214-M218 PolarHBondContact O-N 3.25Å; T215-M218 PolarHBondContact O-N 3.05Å; M218-L221 PolarHBondContact O-N 3Å; M218-R222 PolarHBondContact O-N 3.34Å
219Q93.3Very high87.5Confident64 Ų6466.2 Ų66.230%0.29933%0.33SS..Hα-helixtrans-61.2-45.9172.6179.754.938.600111.5T215 L216 I217 L221 R222 D223T215-Q219 WeakPolarHBondContact O-CB 3.39Å; T215-Q219 PolarHBondContact O-N 2.98Å; L216-Q219 WeakPolarHBondContact O-CB 3.36Å; L216-Q219 PolarHBondContact O-N 3.46Å; I217-Q219 VanDerWaalsContact C-N 3.26Å; I217-Q219 PolarHBondContact O-N 3.08Å; Q219-L221 PolarHBondContact O-N 3.32Å; Q219-R222 WeakPolarHBondContact O-CB 3.15Å; Q219-R222 PolarHBondContact O-N 2.97Å; Q219-D223 PolarHBondContact NE2-OD1 3.46Å; Q219-D223 PolarHBondContact NE2-OD2 2.92Å; Q219-D223 PolarHBondContact O-N 3.22Å
220L92.7Very high86.7Confident75 Ų7562.4 Ų62.439%0.39331%0.312SS..Hα-helixtrans-63.5-38.9176.3-66.4172.2000112.7L172 L216 I217 D223 N224L172-L220 HydrophobicContact CD1-CB 4.21Å; L172-L220 HydrophobicContact CD2-CB 3.89Å; L172-L220 HydrophobicContact CD2-CD1 4Å; L216-L220 WeakPolarHBondContact O-CG 3.46Å; L216-L220 PolarHBondContact O-N 3.39Å; L216-L220 VanDerWaalsContact O-N 3.1Å; I217-L220 WeakPolarHBondContact O-CB 3.49Å; I217-L220 PolarHBondContact O-N 3.32Å; I217-L220 VanDerWaalsContact O-N 3.14Å; L220-D223 PolarHBondContact O-N 2.85Å; L220-N224 WeakPolarHBondContact O-CB 3.48Å; L220-N224 PolarHBondContact O-N 3.02Å
221L92.1Very high85.4Confident0 Ų065.1 Ų65.10%032%0.322CS..Hα-helixtrans-59.9-46.4173.4-78.4167.6000111.1L168 L172 A192 A195 F196 I217 M218 Q219 D223 N224 L225L168-L221 HydrophobicContact CD2-CD1 3.88Å; L172-L221 HydrophobicContact CB-CD2 3.91Å; L172-L221 HydrophobicContact CB-CG 4.28Å; L172-L221 HydrophobicContact CD1-CD2 3.88Å; L172-L221 HydrophobicContact CD1-CG 4.13Å; A192-L221 HydrophobicContact CB-CD2 3.87Å; A195-L221 HydrophobicContact CB-CD1 4.41Å; F196-L221 HydrophobicContact CD2-CB 4.44Å; I217-L221 PolarHBondContact O-N 2.99Å; M218-L221 PolarHBondContact O-N 3Å; Q219-L221 PolarHBondContact O-N 3.32Å; L221-D223 VanDerWaalsContact C-N 3.35Å; L221-D223 PolarHBondContact O-N 3.33Å; L221-N224 PolarHBondContact O-N 3.03Å; L221-L225 VanDerWaalsContact O-CG 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.34Å; L221-L225 PolarHBondContact O-N 3.49Å
222R91.6Very high84Confident122 Ų12261.2 Ų61.246%0.4631%0.309SS..Hα-helixtrans-61.9-41.6176.9-172.3-174.774.2-174.46.1112.3F196 M218 Q219 L225 T226F196-R222 HydrophobicContact CE2-CB 4.11Å; M218-R222 PolarHBondContact O-N 3.34Å; Q219-R222 WeakPolarHBondContact O-CB 3.15Å; Q219-R222 PolarHBondContact O-N 2.97Å; R222-L225 PolarHBondContact O-N 3.22Å; R222-T226 PolarHBondContact O-N 3.1Å; R222-T226 PolarHBondContact O-OG1 3.5Å
223D89.4Confident82.3Confident68 Ų6859.8 Ų59.836%0.36431%0.305SS..Hα-helixtrans-67.1-41.6179.9-64-13000110.5Q219 L220 L221 L225 T226 F227Q219-D223 PolarHBondContact NE2-OD1 3.46Å; Q219-D223 PolarHBondContact NE2-OD2 2.92Å; Q219-D223 PolarHBondContact O-N 3.22Å; L220-D223 PolarHBondContact O-N 2.85Å; L221-D223 VanDerWaalsContact C-N 3.35Å; L221-D223 PolarHBondContact O-N 3.33Å; D223-L225 PolarHBondContact O-N 3.38Å; D223-T226 PolarHBondContact O-N 3.29Å; D223-F227 PolarHBondContact O-N 3.38Å
224N80.9Confident80.6Confident49 Ų4959.3 Ų59.326%0.26231%0.305SS..Hα-helixtrans-64.1-38.3173.4-80.66.9000113L172 V176 L220 L221 F227 T228L172-N224 WeakPolarHBondContact CD1-ND2 3.35Å; V176-N224 WeakPolarHBondContact CG2-ND2 3.31Å; L220-N224 WeakPolarHBondContact O-CB 3.48Å; L220-N224 PolarHBondContact O-N 3.02Å; L221-N224 PolarHBondContact O-N 3.03Å; N224-F227 PolarHBondContact O-N 3.41Å; N224-T228 VanDerWaalsContact O-CB 3.24Å; N224-T228 WeakPolarHBondContact O-CB 3.45Å; N224-T228 PolarHBondContact O-N 3.15Å; N224-T228 PolarHBondContact O-OG1 2.97Å
225L83.5Confident78.5Confident28 Ų2863.2 Ų63.215%0.14733%0.329CS..Hα-helixtrans-62.8-44.7173.8-77168.7000111.2C189 A192 K193 L221 R222 D223 F227 C229C189-L225 HydrophobicContact CB-CD2 4.34Å; C189-L225 VanDerWaalsContact O-CD2 3.29Å; C189-L225 WeakPolarHBondContact O-CD2 3.39Å; A192-L225 HydrophobicContact CB-CD1 4.4Å; A192-L225 HydrophobicContact CB-CD2 3.74Å; A192-L225 HydrophobicContact CB-CG 3.88Å; K193-L225 HydrophobicContact CB-CD1 4.22Å; K193-L225 HydrophobicContact CB-CD2 3.97Å; L221-L225 VanDerWaalsContact O-CG 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.34Å; L221-L225 PolarHBondContact O-N 3.49Å; R222-L225 PolarHBondContact O-N 3.22Å; D223-L225 PolarHBondContact O-N 3.38Å; L225-F227 VanDerWaalsContact C-N 3.3Å; L225-F227 PolarHBondContact O-N 2.94Å; L225-C229 VanDerWaalsContact O-CB 3.23Å; L225-C229 WeakPolarHBondContact O-CB 3.49Å; L225-C229 PolarHBondContact O-N 3.49Å; L225-C229 PolarHBondContact O-SG 3.46Å
226T82.4Confident76.3Confident86 Ų8664.7 Ų64.753%0.52834%0.341SS..Hα-helixtrans-61.8-41.6177.9-52.60000110.7R222 D223 V230R222-T226 PolarHBondContact O-N 3.1Å; R222-T226 PolarHBondContact O-OG1 3.5Å; D223-T226 PolarHBondContact O-N 3.29Å; T226-V230 WeakPolarHBondContact O-CB 3.19Å; T226-V230 WeakPolarHBondContact O-CG2 3.31Å; T226-V230 PolarHBondContact O-N 3.18Å
227F76.6Confident73.5Confident112 Ų11263.5 Ų63.549%0.49134%0.338SS..Hα-helixtrans-67.7-55.2176.8-177-97.6000112.3Y179 D223 N224 L225 E231Y179-F227 HydrophobicContact CE1-CE1 4.19Å; D223-F227 PolarHBondContact O-N 3.38Å; N224-F227 PolarHBondContact O-N 3.41Å; L225-F227 VanDerWaalsContact C-N 3.3Å; L225-F227 PolarHBondContact O-N 2.94Å; F227-E231 WeakPolarHBondContact CZ-OE1 3.48Å; F227-E231 PolarHBondContact O-N 3.43Å
228T74.5Confident70.3Confident12 Ų1265.6 Ų65.67%0.07436%0.355CS..Hα-helixtrans-68.7-42.6-171.7-51.60000112.3Y179 P185 A188 C189 N224 E231 L232Y179-T228 HydrophobicContact CD2-CG2 3.44Å; Y179-T228 VanDerWaalsContact CD2-CG2 3.44Å; Y179-T228 HydrophobicContact CE2-CG2 3.64Å; Y179-T228 HydrophobicContact CG-CG2 4.34Å; P185-T228 HydrophobicContact CB-CG2 3.91Å; A188-T228 HydrophobicContact CB-CG2 4.45Å; C189-T228 VanDerWaalsContact SG-CG2 3.6Å; N224-T228 VanDerWaalsContact O-CB 3.24Å; N224-T228 WeakPolarHBondContact O-CB 3.45Å; N224-T228 PolarHBondContact O-N 3.15Å; N224-T228 PolarHBondContact O-OG1 2.97Å; T228-E231 PolarHBondContact O-N 2.96Å; T228-L232 PolarHBondContact O-N 2.73Å
229C71.7Confident67.4Low36 Ų3672.2 Ų72.224%0.24338%0.384CS..Hα-helixtrans-81-24.2-174.8-44.30000111.9C189 L225 L232 E233C189-C229 WeakPolarHBondContact CB-SG 3.42Å; C189-C229 WeakPolarHBondContact SG-CA 3.41Å; C189-C229 WeakPolarHBondContact SG-CB 3.43Å; C189-C229 PolarHBondContact SG-N 2.69Å; C189-C229 CovalentContact SG-SG 2.07Å; C189-C229 PolarHBondContact SG-SG 3.25Å; L225-C229 VanDerWaalsContact O-CB 3.23Å; L225-C229 WeakPolarHBondContact O-CB 3.49Å; L225-C229 PolarHBondContact O-N 3.49Å; L225-C229 PolarHBondContact O-SG 3.46Å; C229-L232 WeakPolarHBondContact O-CB 3.42Å; C229-L232 PolarHBondContact O-N 2.85Å; C229-E233 WeakPolarHBondContact O-CG 3.4Å; C229-E233 PolarHBondContact O-N 3.01Å; C229-E233 VanDerWaalsContact O-N 3.1Å
230V69.1Low64.4Low73 Ų7372.6 Ų72.644%0.44239%0.393SS..Hα-helixtrans-72.5-35.7170.2172.60000111.6T226 L232 E233 T234T226-V230 WeakPolarHBondContact O-CB 3.19Å; T226-V230 WeakPolarHBondContact O-CG2 3.31Å; T226-V230 PolarHBondContact O-N 3.18Å; V230-L232 VanDerWaalsContact C-N 3.32Å; V230-E233 PolarHBondContact O-N 2.95Å; V230-T234 PolarHBondContact O-N 3.4Å; V230-T234 PolarHBondContact O-OG1 3.07Å
231E61.7Low61.4Low79 Ų7975.5 Ų75.537%0.36941%0.409SS..Hα-helixtrans-63.1-38.9171.5-75.7-161.2-174.400111.8Y179 F227 T228 T234 V235Y179-E231 PolarHBondContact OH-OE2 2.95Å; F227-E231 WeakPolarHBondContact CZ-OE1 3.48Å; F227-E231 PolarHBondContact O-N 3.43Å; T228-E231 PolarHBondContact O-N 2.96Å; E231-T234 VanDerWaalsContact CA-OG1 3.31Å; E231-T234 WeakPolarHBondContact CA-OG1 3.24Å; E231-T234 PolarHBondContact O-N 3.35Å; E231-T234 PolarHBondContact O-OG1 3.36Å; E231-T234 VanDerWaalsContact O-OG1 3.07Å; E231-V235 WeakPolarHBondContact O-CB 3.43Å; E231-V235 VanDerWaalsContact O-CG2 3.29Å; E231-V235 WeakPolarHBondContact O-CG2 3.36Å; E231-V235 PolarHBondContact O-N 3.12Å
232L59.2Low58.8Low43 Ų4382.6 Ų82.623%0.22545%0.446CS..Hα-helixtrans-59.9-46.3172.3-78.5175.4000112.6P185 E186 T228 C229 V230 V235 S236P185-L232 HydrophobicContact CB-CD1 4.02Å; P185-L232 HydrophobicContact CB-CD2 3.67Å; P185-L232 HydrophobicContact CB-CG 3.83Å; P185-L232 HydrophobicContact CG-CD2 3.42Å; P185-L232 VanDerWaalsContact CG-CD2 3.42Å; P185-L232 HydrophobicContact CG-CG 4.17Å; E186-L232 HydrophobicContact CG-CD1 4.38Å; E186-L232 HydrophobicContact CG-CD2 4.44Å; E186-L232 WeakPolarHBondContact OE1-CD2 3.1Å; T228-L232 PolarHBondContact O-N 2.73Å; C229-L232 WeakPolarHBondContact O-CB 3.42Å; C229-L232 PolarHBondContact O-N 2.85Å; V230-L232 VanDerWaalsContact C-N 3.32Å; L232-V235 PolarHBondContact O-N 3.01Å; L232-S236 WeakPolarHBondContact O-CB 3.44Å; L232-S236 PolarHBondContact O-N 3.1Å
233E54.5Low56.3Low131 Ų13184 Ų8461%0.61247%0.474SS*.Hα-helixtrans-65.7-40178.8-74.1179177.900111.8C229 V230 S236 V237C229-E233 WeakPolarHBondContact O-CG 3.4Å; C229-E233 PolarHBondContact O-N 3.01Å; C229-E233 VanDerWaalsContact O-N 3.1Å; V230-E233 PolarHBondContact O-N 2.95Å; E233-S236 PolarHBondContact O-N 2.61Å; E233-V237 WeakPolarHBondContact O-CB 3.36Å; E233-V237 WeakPolarHBondContact O-CG2 3.06Å; E233-V237 PolarHBondContact O-N 3.34Å
234T55.4Low54.7Low78 Ų7884.9 Ų84.948%0.47948%0.48SS..Hα-helixtrans-68.5-39177.438.60000112.6V230 E231 C238V230-T234 PolarHBondContact O-N 3.4Å; V230-T234 PolarHBondContact O-OG1 3.07Å; E231-T234 VanDerWaalsContact CA-OG1 3.31Å; E231-T234 WeakPolarHBondContact CA-OG1 3.24Å; E231-T234 PolarHBondContact O-N 3.35Å; E231-T234 PolarHBondContact O-OG1 3.36Å; E231-T234 VanDerWaalsContact O-OG1 3.07Å; T234-C238 WeakPolarHBondContact O-CB 3.44Å; T234-C238 PolarHBondContact O-N 2.65Å; T234-C238 PolarHBondContact O-SG 2.99Å; T234-C238 VanDerWaalsContact O-SG 3.39Å
235V49.1Very low53.3Low82 Ų8286.7 Ų86.750%0.49749%0.491SS..Hα-helixtrans-67.6-41.8173.8175.40000111.1E231 L232 C238 F239E231-V235 WeakPolarHBondContact O-CB 3.43Å; E231-V235 VanDerWaalsContact O-CG2 3.29Å; E231-V235 WeakPolarHBondContact O-CG2 3.36Å; E231-V235 PolarHBondContact O-N 3.12Å; L232-V235 PolarHBondContact O-N 3.01Å; V235-C238 PolarHBondContact O-N 3.44Å; V235-F239 HydrophobicContact CG1-CD2 3.93Å; V235-F239 HydrophobicContact CG1-CE2 4.13Å; V235-F239 WeakPolarHBondContact O-CD2 3.26Å; V235-F239 PolarHBondContact O-N 3.42Å
236S45Very low51.6Low78 Ų7890 Ų9055%0.54551%0.511SS..Hα-helixtrans-66.4-38.5177.8-173.50000112.7L232 E233 F239 S240L232-S236 WeakPolarHBondContact O-CB 3.44Å; L232-S236 PolarHBondContact O-N 3.1Å; E233-S236 PolarHBondContact O-N 2.61Å; S236-F239 PolarHBondContact O-N 3.32Å; S236-S240 WeakPolarHBondContact O-CB 3.25Å; S236-S240 PolarHBondContact O-N 3.17Å; S236-S240 PolarHBondContact O-OG 3.41Å
237V34.9Very low49.8Very low79 Ų7990.2 Ų90.248%0.47951%0.51SS..Hα-helixtrans-66.7-40.4173.2172.20000110.8E233 F239 S240 L241E233-V237 WeakPolarHBondContact O-CB 3.36Å; E233-V237 WeakPolarHBondContact O-CG2 3.06Å; E233-V237 PolarHBondContact O-N 3.34Å; V237-F239 PolarHBondContact O-N 3.12Å; V237-S240 WeakPolarHBondContact CA-OG 3.37Å; V237-S240 PolarHBondContact O-N 3.29Å; V237-S240 PolarHBondContact O-OG 3.38Å; V237-S240 VanDerWaalsContact O-OG 3.09Å; V237-L241 HydrophobicContact CG1-CD1 3.8Å; V237-L241 HydrophobicContact CG1-CG 4.43Å; V237-L241 WeakPolarHBondContact O-CB 3.38Å; V237-L241 VanDerWaalsContact O-CG 3.3Å; V237-L241 WeakPolarHBondContact O-CG 2.97Å; V237-L241 PolarHBondContact O-N 2.74Å
238C25.6Very low48.2Very low73 Ų7388.9 Ų88.949%0.49351%0.511SS..Hα-helixtrans-62.5-41.4172.9-78.30000112.4T234 V235 L241 L242T234-C238 WeakPolarHBondContact O-CB 3.44Å; T234-C238 PolarHBondContact O-N 2.65Å; T234-C238 PolarHBondContact O-SG 2.99Å; T234-C238 VanDerWaalsContact O-SG 3.39Å; V235-C238 PolarHBondContact O-N 3.44Å; C238-L241 PolarHBondContact O-N 2.84Å; C238-L242 WeakPolarHBondContact O-CB 3.43Å; C238-L242 WeakPolarHBondContact O-CD1 3.45Å; C238-L242 WeakPolarHBondContact O-CG 3.44Å; C238-L242 PolarHBondContact O-N 3.33Å; C238-L242 VanDerWaalsContact O-N 3.17Å
239F33.1Very low46.4Very low149 Ų14994 Ų9465%0.65454%0.54SS*.Hα-helixtrans-68.9-37.5176.4-95.2-84.4000113.2V235 S236 V237 L241 L242 S243V235-F239 HydrophobicContact CG1-CD2 3.93Å; V235-F239 HydrophobicContact CG1-CE2 4.13Å; V235-F239 WeakPolarHBondContact O-CD2 3.26Å; V235-F239 PolarHBondContact O-N 3.42Å; S236-F239 PolarHBondContact O-N 3.32Å; V237-F239 PolarHBondContact O-N 3.12Å; F239-L241 VanDerWaalsContact C-N 3.34Å; F239-L242 PolarHBondContact O-N 3.27Å; F239-S243 PolarHBondContact O-N 2.72Å; F239-S243 VanDerWaalsContact O-N 3.08Å; F239-S243 PolarHBondContact O-OG 3.34Å
240S30.5Very low44.6Very low72 Ų7298.1 Ų98.150%0.50356%0.561SS.*Hα-helixtrans-74.7-20.317756.60000114S236 V237S236-S240 WeakPolarHBondContact O-CB 3.25Å; S236-S240 PolarHBondContact O-N 3.17Å; S236-S240 PolarHBondContact O-OG 3.41Å; V237-S240 WeakPolarHBondContact CA-OG 3.37Å; V237-S240 PolarHBondContact O-N 3.29Å; V237-S240 PolarHBondContact O-OG 3.38Å; V237-S240 VanDerWaalsContact O-OG 3.09Å
241L29.1Very low42.7Very low136 Ų136100.1 Ų100.171%0.71257%0.57SS**Hα-helixtrans-85.5-14.9169.4-70.7168.8000113.2V237 C238 F239V237-L241 HydrophobicContact CG1-CD1 3.8Å; V237-L241 HydrophobicContact CG1-CG 4.43Å; V237-L241 WeakPolarHBondContact O-CB 3.38Å; V237-L241 VanDerWaalsContact O-CG 3.3Å; V237-L241 WeakPolarHBondContact O-CG 2.97Å; V237-L241 PolarHBondContact O-N 2.74Å; C238-L241 PolarHBondContact O-N 2.84Å; F239-L241 VanDerWaalsContact C-N 3.34Å
242L36Very low41.1Very low149 Ų149101.8 Ų101.878%0.7859%0.587SS**  trans-105.3-0.2179.4-69.5170.9000113.6C238 F239C238-L242 WeakPolarHBondContact O-CB 3.43Å; C238-L242 WeakPolarHBondContact O-CD1 3.45Å; C238-L242 WeakPolarHBondContact O-CG 3.44Å; C238-L242 PolarHBondContact O-N 3.33Å; C238-L242 VanDerWaalsContact O-N 3.17Å; F239-L242 PolarHBondContact O-N 3.27Å
243S41.2Very low39.5Very low152 Ų152107.2 Ų107.2100%1.06362%0.62SS**  trans-109.20171.845.50000111.5F239F239-S243 PolarHBondContact O-N 2.72Å; F239-S243 VanDerWaalsContact O-N 3.08Å; F239-S243 PolarHBondContact O-OG 3.34Å

Retrieved 243 of 243 residues in 590.6 ms (Link to these results)

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