1433S_HUMAN Loading...

14-3-3 protein sigma

Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways1,2,3,4. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif5,6,7,8. Binding generally results in the modulation of the activity of the binding partner9,10,11,12. Promotes cytosolic retention of GBP1 GTPase by binding to phosphorylated GBP1, thereby inhibiting the innate immune response13. Also acts as a TP53/p53-regulated inhibitor of G2/M progression14. When bound to KRT17, regulates protein synthesis and epithelial cell growth by stimulating Akt/mTOR pathway (By similarity). Acts to maintain desmosome cell junction adhesion in epithelial cells via interacting with and sequestering PKP3 to the cytoplasm, thereby restricting its translocation to existing desmosome structures and therefore maintaining desmosome protein homeostasis15. Also acts to facilitate PKP3 exchange at desmosome plaques, thereby maintaining keratinocyte intercellular adhesion16. May also regulate MDM2 autoubiquitination and degradation and thereby activate p53/TP5317.

AlphaFold DB , UniProt , Accession P31947, Species HUMAN (Homo sapiens, Human), Gene SFN, Length 248 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
1M73Confident94.4Very high112 Ų11260.2 Ų60.255%0.55231%0.314SS*.  0133.40-166.7177.6-4200107.1S5 L6 K9M1-S5 WeakPolarHBondContact CG-OG 3.21Å; M1-S5 PolarHBondContact SD-OG 3.3Å; M1-L6 HydrophobicContact CB-CD2 4.35Å; M1-L6 HydrophobicContact CB-CG 4.25Å; M1-L6 HydrophobicContact CE-CD2 4.17Å; M1-L6 HydrophobicContact CG-CD2 4.26Å; M1-L6 HydrophobicContact CG-CG 4.05Å; M1-L6 HydrophobicContact SD-CD2 3.52Å; M1-L6 VanDerWaalsContact SD-CD2 3.52Å; M1-L6 HydrophobicContact SD-CG 3.81Å; M1-K9 HydrophobicContact CE-CD 4.17Å; M1-K9 HydrophobicContact SD-CD 3.67Å; M1-K9 PolarHBondContact SD-NZ 3.1Å; M1-K9 VanDerWaalsContact SD-NZ 3.44Å
2E91Very high94.8Very high152 Ų15263.1 Ų63.171%0.7133%0.329SS*.  trans-66.1148.9176.5-63.7-51.4125.800111.2A4 S5 L6E2-A4 VanDerWaalsContact C-N 3.32Å; E2-A4 PolarHBondContact O-N 3.12Å; E2-S5 WeakPolarHBondContact O-CB 3.31Å; E2-S5 PolarHBondContact O-N 2.99Å; E2-L6 PolarHBondContact O-N 3.47Å; E2-L6 VanDerWaalsContact O-N 3.14Å
3R93.8Very high95.1Very high25 Ų2558.8 Ų58.89%0.09431%0.308CS..Hα-helixtrans-53.6-47.7179.8-173.7-177173.2-85.31.6111.6S5 L6 I7 A29 K32 E34 E35 E40R3-S5 VanDerWaalsContact C-N 3.26Å; R3-S5 PolarHBondContact O-N 2.99Å; R3-L6 WeakPolarHBondContact O-CA 3.26Å; R3-L6 WeakPolarHBondContact O-CB 3.41Å; R3-L6 PolarHBondContact O-N 3.43Å; R3-I7 PolarHBondContact O-N 3.31Å; R3-A29 HydrophobicContact CG-CB 4.16Å; R3-K32 HydrophobicContact CB-CB 4.3Å; R3-K32 HydrophobicContact CB-CG 4.16Å; R3-K32 HydrophobicContact CG-CB 4.37Å; R3-E34 WeakPolarHBondContact CD-OE2 3.32Å; R3-E34 IonicContact CZ-OE2 3.26Å; R3-E34 IonicContact NE-OE2 2.7Å; R3-E34 PolarHBondContact NE-OE2 3.13Å; R3-E34 IonicContact NH1-OE2 3.91Å; R3-E34 PolarHBondContact NH1-OE2 2.99Å; R3-E35 PolarHBondContact NH2-O 3.39Å; R3-E40 IonicContact CZ-OE1 3.68Å; R3-E40 IonicContact CZ-OE2 2.75Å; R3-E40 IonicContact NH1-OE1 2.67Å; R3-E40 PolarHBondContact NH1-OE1 3.35Å; R3-E40 IonicContact NH1-OE2 3.53Å; R3-E40 IonicContact NH2-OE1 3.13Å; R3-E40 PolarHBondContact NH2-OE1 2.96Å; R3-E40 IonicContact NH2-OE2 2.66Å; R3-E40 PolarHBondContact NH2-OE2 3.23Å
4A94.8Very high95.3Very high75 Ų7559.6 Ų59.662%0.6231%0.31SS*.Hα-helixtrans-57.7-37177.500000113.1E2 L6 Q8E2-A4 VanDerWaalsContact C-N 3.32Å; E2-A4 PolarHBondContact O-N 3.12Å; A4-L6 VanDerWaalsContact C-N 3.34Å; A4-Q8 PolarHBondContact O-N 3.36Å
5S97.1Very high95.5Very high48 Ų4866.1 Ų66.134%0.33634%0.338SS..Hα-helixtrans-71.1-30.5176.1175.10000112.4M1 E2 R3 K9M1-S5 WeakPolarHBondContact CG-OG 3.21Å; M1-S5 PolarHBondContact SD-OG 3.3Å; E2-S5 WeakPolarHBondContact O-CB 3.31Å; E2-S5 PolarHBondContact O-N 2.99Å; R3-S5 VanDerWaalsContact C-N 3.26Å; R3-S5 PolarHBondContact O-N 2.99Å; S5-K9 VanDerWaalsContact O-CG 3.31Å; S5-K9 WeakPolarHBondContact O-CG 3.4Å; S5-K9 PolarHBondContact O-N 3.46Å; S5-K9 VanDerWaalsContact O-N 3.14Å
6L97.9Very high95.6Very high15 Ų1565.7 Ų65.78%0.07935%0.348CS..Hα-helixtrans-69.6-45.5174.8-70.6161.1000110.4M1 E2 R3 A4 Q8 K9 A10 F25 G28 A29M1-L6 HydrophobicContact CB-CD2 4.35Å; M1-L6 HydrophobicContact CB-CG 4.25Å; M1-L6 HydrophobicContact CE-CD2 4.17Å; M1-L6 HydrophobicContact CG-CD2 4.26Å; M1-L6 HydrophobicContact CG-CG 4.05Å; M1-L6 HydrophobicContact SD-CD2 3.52Å; M1-L6 VanDerWaalsContact SD-CD2 3.52Å; M1-L6 HydrophobicContact SD-CG 3.81Å; E2-L6 PolarHBondContact O-N 3.47Å; E2-L6 VanDerWaalsContact O-N 3.14Å; R3-L6 WeakPolarHBondContact O-CA 3.26Å; R3-L6 WeakPolarHBondContact O-CB 3.41Å; R3-L6 PolarHBondContact O-N 3.43Å; A4-L6 VanDerWaalsContact C-N 3.34Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-Q8 PolarHBondContact O-N 2.78Å; L6-K9 PolarHBondContact O-N 3.17Å; L6-K9 VanDerWaalsContact O-N 3.15Å; L6-A10 PolarHBondContact O-N 3.04Å; L6-F25 HydrophobicContact CD2-CB 4.47Å; L6-F25 HydrophobicContact CD2-CD1 4.06Å; L6-G28 WeakPolarHBondContact CD1-O 3.36Å; L6-A29 HydrophobicContact CB-CB 4.04Å
7I98Very high95.7Very high10 Ų1070.2 Ų70.25%0.05137%0.366CS..Hα-helixtrans-59.6-44.9175.4-61-56.3000111.1R3 K9 A10 K11 M26 A29 E40 L43R3-I7 PolarHBondContact O-N 3.31Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 3.37Å; I7-A10 WeakPolarHBondContact O-CB 3.11Å; I7-A10 PolarHBondContact O-N 3.44Å; I7-A10 VanDerWaalsContact O-N 3.16Å; I7-K11 WeakPolarHBondContact O-CG 3.35Å; I7-K11 PolarHBondContact O-N 2.97Å; I7-M26 HydrophobicContact CD1-CE 3.72Å; I7-M26 HydrophobicContact CD1-SD 3.62Å; I7-A29 HydrophobicContact CD1-CB 3.57Å; I7-A29 HydrophobicContact CG1-CB 4.23Å; I7-E40 HydrophobicContact CD1-CB 4.39Å; I7-E40 HydrophobicContact CD1-CG 3.93Å; I7-E40 HydrophobicContact CG1-CG 4.26Å; I7-E40 HydrophobicContact CG2-CG 4.14Å; I7-L43 HydrophobicContact CG2-CD1 4.3Å
8Q97.9Very high95.9Very high103 Ų10374.1 Ų74.148%0.48138%0.376SS..Hα-helixtrans-61.2-38.8176.9-175.159.62800112.3A4 L6 K11 L12A4-Q8 PolarHBondContact O-N 3.36Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-Q8 PolarHBondContact O-N 2.78Å; Q8-K11 PolarHBondContact O-N 3.37Å; Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.49Å; Q8-L12 VanDerWaalsContact O-N 3.1Å
9K98.4Very high96Very high76 Ų7672.9 Ų72.933%0.3337%0.367SS..Hα-helixtrans-69.3-35.9175.8-75.1-178.2-179.1-174.50112.5M1 S5 L6 I7 L12 A13 F25M1-K9 HydrophobicContact CE-CD 4.17Å; M1-K9 HydrophobicContact SD-CD 3.67Å; M1-K9 PolarHBondContact SD-NZ 3.1Å; M1-K9 VanDerWaalsContact SD-NZ 3.44Å; S5-K9 VanDerWaalsContact O-CG 3.31Å; S5-K9 WeakPolarHBondContact O-CG 3.4Å; S5-K9 PolarHBondContact O-N 3.46Å; S5-K9 VanDerWaalsContact O-N 3.14Å; L6-K9 PolarHBondContact O-N 3.17Å; L6-K9 VanDerWaalsContact O-N 3.15Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 3.37Å; K9-L12 PolarHBondContact O-N 3.25Å; K9-A13 WeakPolarHBondContact O-CB 3.29Å; K9-A13 PolarHBondContact O-N 3.47Å; K9-F25 HydrophobicContact CB-CB 4.48Å; K9-F25 HydrophobicContact CB-CD1 4.02Å; K9-F25 HydrophobicContact CB-CD2 3.54Å; K9-F25 HydrophobicContact CB-CE1 4.13Å; K9-F25 HydrophobicContact CB-CE2 3.66Å; K9-F25 HydrophobicContact CB-CG 3.75Å; K9-F25 HydrophobicContact CB-CZ 3.96Å; K9-F25 HydrophobicContact CD-CD1 4.14Å; K9-F25 HydrophobicContact CD-CE1 3.74Å; K9-F25 HydrophobicContact CD-CE2 4.47Å; K9-F25 HydrophobicContact CD-CZ 3.92Å; K9-F25 HydrophobicContact CG-CZ 4.46Å
10A98.5Very high96.1Very high0 Ų075.1 Ų75.10%038%0.375CS..Hα-helixtrans-60.8-44.2172.900000111.3L6 I7 L12 A13 E14 M22 F25 M26L6-A10 PolarHBondContact O-N 3.04Å; I7-A10 WeakPolarHBondContact O-CB 3.11Å; I7-A10 PolarHBondContact O-N 3.44Å; I7-A10 VanDerWaalsContact O-N 3.16Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 2.89Å; A10-A13 PolarHBondContact O-N 3.48Å; A10-E14 PolarHBondContact O-N 3.37Å; A10-M22 HydrophobicContact CB-CG 4.13Å; A10-F25 HydrophobicContact CB-CB 4.09Å; A10-M26 HydrophobicContact CB-CG 3.77Å; A10-M26 HydrophobicContact CB-SD 3.52Å; A10-M26 VanDerWaalsContact CB-SD 3.52Å
11K98.4Very high96.2Very high46 Ų4674.1 Ų74.120%0.237%0.371CS..Hα-helixtrans-61.4-39174.7-65.9-176.4-175.7-1650112.9I7 Q8 Q15 E39 L43I7-K11 WeakPolarHBondContact O-CG 3.35Å; I7-K11 PolarHBondContact O-N 2.97Å; Q8-K11 PolarHBondContact O-N 3.37Å; K11-Q15 WeakPolarHBondContact O-CG 3.49Å; K11-Q15 PolarHBondContact O-N 3.01Å; K11-E39 WeakPolarHBondContact CE-OE1 3.44Å; K11-E39 IonicContact NZ-OE1 2.95Å; K11-E39 PolarHBondContact NZ-OE1 2.98Å; K11-E39 IonicContact NZ-OE2 2.65Å; K11-E39 PolarHBondContact NZ-OE2 3.29Å; K11-L43 HydrophobicContact CD-CD1 4.44Å; K11-L43 HydrophobicContact CG-CD1 3.75Å; K11-L43 HydrophobicContact CG-CD2 4.24Å
12L98.6Very high97.4Very high95 Ų9568.8 Ų68.850%0.49735%0.345SS..Hα-helixtrans-68.5-39174.8-69.5171.7000112Q8 K9 A10 Q15 A16Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.49Å; Q8-L12 VanDerWaalsContact O-N 3.1Å; K9-L12 PolarHBondContact O-N 3.25Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 2.89Å; L12-Q15 PolarHBondContact O-N 3.45Å; L12-A16 WeakPolarHBondContact O-CB 3.31Å; L12-A16 PolarHBondContact O-N 2.83Å; L12-A16 VanDerWaalsContact O-N 3.16Å
13A98.5Very high97.8Very high7 Ų761.9 Ų61.96%0.05831%0.314CS..Hα-helixtrans-66.6-38.5177.100000111.7K9 A10 A16 E17 R18 D21 M22 F25K9-A13 WeakPolarHBondContact O-CB 3.29Å; K9-A13 PolarHBondContact O-N 3.47Å; A10-A13 PolarHBondContact O-N 3.48Å; A13-A16 CarbonylContact O-C 3.53Å; A13-A16 PolarHBondContact O-N 2.91Å; A13-E17 PolarHBondContact O-N 3.23Å; A13-R18 HydrophobicContact CB-CB 4.42Å; A13-R18 PolarHBondContact O-N 2.69Å; A13-D21 HydrophobicContact CB-CB 4.19Å; A13-M22 HydrophobicContact CB-CB 3.85Å; A13-M22 HydrophobicContact CB-CG 4.46Å; A13-F25 HydrophobicContact CB-CD2 4.29Å; A13-F25 HydrophobicContact CB-CE2 4.29Å
14E98.2Very high98Very high71 Ų7163.6 Ų63.633%0.33233%0.334SS..Hα-helixtrans-58-50.5172.6-176.9-177.7-14700111.5A10 A16 E17 M22 L43A10-E14 PolarHBondContact O-N 3.37Å; E14-A16 PolarHBondContact O-N 3.35Å; E14-E17 PolarHBondContact O-N 3.03Å; E14-M22 HydrophobicContact CB-CE 3.89Å; E14-M22 HydrophobicContact CB-SD 3.89Å; E14-M22 HydrophobicContact CG-CE 4.14Å; E14-M22 HydrophobicContact CG-SD 4.34Å; E14-L43 VanDerWaalsContact OE2-CD2 3.25Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.45Å
15Q97.8Very high98.2Very high156 Ų15662.4 Ų62.473%0.72932%0.315SS*.Hα-helixtrans-62.9-24.9178.2-70.7174.943.900113.4K11 L12K11-Q15 WeakPolarHBondContact O-CG 3.49Å; K11-Q15 PolarHBondContact O-N 3.01Å; L12-Q15 PolarHBondContact O-N 3.45Å
16A98.1Very high98.2Very high60 Ų6060.1 Ų60.150%0.49630%0.299SS..THydrogen-bonded Turntrans-953.7176.100000113.1L12 A13 E14 R18L12-A16 WeakPolarHBondContact O-CB 3.31Å; L12-A16 PolarHBondContact O-N 2.83Å; L12-A16 VanDerWaalsContact O-N 3.16Å; A13-A16 CarbonylContact O-C 3.53Å; A13-A16 PolarHBondContact O-N 2.91Å; E14-A16 PolarHBondContact O-N 3.35Å; A16-R18 HydrophobicContact CB-CG 4.2Å; A16-R18 PolarHBondContact O-N 3.42Å; A16-R18 VanDerWaalsContact O-N 3.16Å
17E97.6Very high98.2Very high142 Ų14262.8 Ų62.866%0.66431%0.31SS*.THydrogen-bonded Turntrans53.530.5-175.7-57-175.8167.800113.7A13 E14 Y19A13-E17 PolarHBondContact O-N 3.23Å; E14-E17 PolarHBondContact O-N 3.03Å; E17-Y19 HydrophobicContact CB-CE2 4.01Å; E17-Y19 WeakPolarHBondContact O-CD2 3.45Å; E17-Y19 PolarHBondContact O-N 3.16Å
18R98.3Very high98.2Very high141 Ų14163.1 Ų63.153%0.53232%0.316SS..  trans-94.772.9177.2-67.8-17459.31146.6110.3A13 A16 E20 D21 M22A13-R18 HydrophobicContact CB-CB 4.42Å; A13-R18 PolarHBondContact O-N 2.69Å; A16-R18 HydrophobicContact CB-CG 4.2Å; A16-R18 PolarHBondContact O-N 3.42Å; A16-R18 VanDerWaalsContact O-N 3.16Å; R18-E20 VanDerWaalsContact C-N 3.34Å; R18-E20 PolarHBondContact O-N 3.21Å; R18-D21 HydrophobicContact CB-CB 4.22Å; R18-D21 IonicContact CZ-OD2 3.12Å; R18-D21 IonicContact NE-OD2 2.66Å; R18-D21 PolarHBondContact NE-OD2 3.24Å; R18-D21 IonicContact NH2-OD1 3.54Å; R18-D21 IonicContact NH2-OD2 2.8Å; R18-D21 PolarHBondContact NH2-OD2 3.44Å; R18-D21 PolarHBondContact O-N 3.02Å; R18-M22 PolarHBondContact O-N 2.98Å
19Y98.3Very high98.2Very high52 Ų5258.2 Ų58.220%0.20429%0.293CS..Hα-helixtrans-67.6-28.6-170.2-59.1-67.7000114.3E17 M22 A23 V46 N50 V51E17-Y19 HydrophobicContact CB-CE2 4.01Å; E17-Y19 WeakPolarHBondContact O-CD2 3.45Å; E17-Y19 PolarHBondContact O-N 3.16Å; Y19-M22 HydrophobicContact CD1-SD 4.11Å; Y19-M22 WeakPolarHBondContact O-CB 3.4Å; Y19-M22 PolarHBondContact O-N 3.21Å; Y19-A23 WeakPolarHBondContact O-CB 3.13Å; Y19-A23 PolarHBondContact O-N 3.46Å; Y19-V46 HydrophobicContact CE1-CG1 4.31Å; Y19-N50 HydrophobicContact CD1-CB 3.56Å; Y19-N50 HydrophobicContact CD2-CB 3.5Å; Y19-N50 HydrophobicContact CE1-CB 3.93Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.47Å; Y19-N50 HydrophobicContact CE2-CB 3.87Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; Y19-V51 WeakPolarHBondContact O-CG2 3.47Å
20E97.9Very high98.1Very high116 Ų11654.8 Ų54.854%0.54228%0.278SS..Hα-helixtrans-66.2-43.3174.2-64.874.2-164.500111.3R18 A23 A24 V51R18-E20 VanDerWaalsContact C-N 3.34Å; R18-E20 PolarHBondContact O-N 3.21Å; E20-A23 PolarHBondContact O-N 3.03Å; E20-A24 WeakPolarHBondContact O-CB 3.5Å; E20-A24 PolarHBondContact O-N 2.82Å; E20-V51 HydrophobicContact CG-CG2 4.27Å
21D98.5Very high98Very high54 Ų5459.6 Ų59.629%0.28930%0.3SS..Hα-helixtrans-66.2-42.8174.9-68.8-9.8000110.2A13 R18 A23 A24 F25A13-D21 HydrophobicContact CB-CB 4.19Å; R18-D21 HydrophobicContact CB-CB 4.22Å; R18-D21 IonicContact CZ-OD2 3.12Å; R18-D21 IonicContact NE-OD2 2.66Å; R18-D21 PolarHBondContact NE-OD2 3.24Å; R18-D21 IonicContact NH2-OD1 3.54Å; R18-D21 IonicContact NH2-OD2 2.8Å; R18-D21 PolarHBondContact NH2-OD2 3.44Å; R18-D21 PolarHBondContact O-N 3.02Å; D21-A23 VanDerWaalsContact C-N 3.31Å; D21-A23 PolarHBondContact O-N 3.37Å; D21-A24 PolarHBondContact O-N 2.92Å; D21-F25 HydrophobicContact CB-CD2 4.38Å; D21-F25 HydrophobicContact CB-CE2 3.85Å; D21-F25 HydrophobicContact CB-CZ 4.45Å; D21-F25 WeakPolarHBondContact O-CD2 3.44Å; D21-F25 VanDerWaalsContact O-CG 3.27Å; D21-F25 WeakPolarHBondContact O-CG 3.47Å; D21-F25 PolarHBondContact O-N 2.99Å
22M98.3Very high97.8Very high0 Ų063.1 Ų63.10%032%0.316CS..Hα-helixtrans-56.3-46.4175.4-166.3-170.5176.800111A10 A13 E14 R18 Y19 F25 M26 L43 V46 A47A10-M22 HydrophobicContact CB-CG 4.13Å; A13-M22 HydrophobicContact CB-CB 3.85Å; A13-M22 HydrophobicContact CB-CG 4.46Å; E14-M22 HydrophobicContact CB-CE 3.89Å; E14-M22 HydrophobicContact CB-SD 3.89Å; E14-M22 HydrophobicContact CG-CE 4.14Å; E14-M22 HydrophobicContact CG-SD 4.34Å; R18-M22 PolarHBondContact O-N 2.98Å; Y19-M22 HydrophobicContact CD1-SD 4.11Å; Y19-M22 WeakPolarHBondContact O-CB 3.4Å; Y19-M22 PolarHBondContact O-N 3.21Å; M22-F25 PolarHBondContact O-N 3.16Å; M22-M26 WeakPolarHBondContact O-CB 3.48Å; M22-M26 VanDerWaalsContact O-CG 3.31Å; M22-M26 WeakPolarHBondContact O-CG 3.45Å; M22-M26 PolarHBondContact O-N 2.62Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.5Å; M22-L43 HydrophobicContact CE-CG 4.33Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.12Å; M22-V46 HydrophobicContact SD-CG1 4.32Å; M22-A47 HydrophobicContact CB-CB 3.93Å; M22-A47 HydrophobicContact CE-CB 4.08Å; M22-A47 HydrophobicContact CG-CB 3.57Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å
23A98.5Very high97.2Very high7 Ų760.8 Ų60.86%0.05832%0.315CS..Hα-helixtrans-63.9-42.2177.800000111.8Y19 E20 D21 M26 K27 A47 Y48 V51Y19-A23 WeakPolarHBondContact O-CB 3.13Å; Y19-A23 PolarHBondContact O-N 3.46Å; E20-A23 PolarHBondContact O-N 3.03Å; D21-A23 VanDerWaalsContact C-N 3.31Å; D21-A23 PolarHBondContact O-N 3.37Å; A23-M26 PolarHBondContact O-N 3.43Å; A23-K27 VanDerWaalsContact O-CB 3.3Å; A23-K27 WeakPolarHBondContact O-CB 3.46Å; A23-K27 PolarHBondContact O-N 2.99Å; A23-A47 HydrophobicContact CB-CB 4.23Å; A23-Y48 HydrophobicContact CB-CD1 3.97Å; A23-Y48 HydrophobicContact CB-CD2 4.39Å; A23-Y48 HydrophobicContact CB-CE1 3.8Å; A23-Y48 HydrophobicContact CB-CE2 4.2Å; A23-Y48 HydrophobicContact CB-CG 4.28Å; A23-Y48 PolarHBondContact O-OH 3.39Å; A23-V51 HydrophobicContact CB-CG2 4.31Å
24A98.4Very high96.7Very high62 Ų6265.8 Ų65.851%0.51234%0.337SS..Hα-helixtrans-64.1-42.1176.400000112.5E20 D21 G28E20-A24 WeakPolarHBondContact O-CB 3.5Å; E20-A24 PolarHBondContact O-N 2.82Å; D21-A24 PolarHBondContact O-N 2.92Å; A24-G28 PolarHBondContact O-N 2.9Å; A24-G28 VanDerWaalsContact O-N 3.13Å
25F98.5Very high96.5Very high50 Ų5066.7 Ų66.722%0.21934%0.341CS..Hα-helixtrans-66.9-44.2175.9-62.7-43.3000111.9L6 K9 A10 A13 D21 M22 G28 A29L6-F25 HydrophobicContact CD2-CB 4.47Å; L6-F25 HydrophobicContact CD2-CD1 4.06Å; K9-F25 HydrophobicContact CB-CB 4.48Å; K9-F25 HydrophobicContact CB-CD1 4.02Å; K9-F25 HydrophobicContact CB-CD2 3.54Å; K9-F25 HydrophobicContact CB-CE1 4.13Å; K9-F25 HydrophobicContact CB-CE2 3.66Å; K9-F25 HydrophobicContact CB-CG 3.75Å; K9-F25 HydrophobicContact CB-CZ 3.96Å; K9-F25 HydrophobicContact CD-CD1 4.14Å; K9-F25 HydrophobicContact CD-CE1 3.74Å; K9-F25 HydrophobicContact CD-CE2 4.47Å; K9-F25 HydrophobicContact CD-CZ 3.92Å; K9-F25 HydrophobicContact CG-CZ 4.46Å; A10-F25 HydrophobicContact CB-CB 4.09Å; A13-F25 HydrophobicContact CB-CD2 4.29Å; A13-F25 HydrophobicContact CB-CE2 4.29Å; D21-F25 HydrophobicContact CB-CD2 4.38Å; D21-F25 HydrophobicContact CB-CE2 3.85Å; D21-F25 HydrophobicContact CB-CZ 4.45Å; D21-F25 WeakPolarHBondContact O-CD2 3.44Å; D21-F25 VanDerWaalsContact O-CG 3.27Å; D21-F25 WeakPolarHBondContact O-CG 3.47Å; D21-F25 PolarHBondContact O-N 2.99Å; M22-F25 PolarHBondContact O-N 3.16Å; F25-G28 PolarHBondContact O-N 3.06Å; F25-A29 PolarHBondContact O-N 2.9Å
26M98.4Very high96.3Very high0 Ų059.6 Ų59.60%031%0.308CS..Hα-helixtrans-65.9-39178.1-72-53-58.100112.2I7 A10 M22 A23 G28 A29 V30 L36 E40 L43 L44I7-M26 HydrophobicContact CD1-CE 3.72Å; I7-M26 HydrophobicContact CD1-SD 3.62Å; A10-M26 HydrophobicContact CB-CG 3.77Å; A10-M26 HydrophobicContact CB-SD 3.52Å; A10-M26 VanDerWaalsContact CB-SD 3.52Å; M22-M26 WeakPolarHBondContact O-CB 3.48Å; M22-M26 VanDerWaalsContact O-CG 3.31Å; M22-M26 WeakPolarHBondContact O-CG 3.45Å; M22-M26 PolarHBondContact O-N 2.62Å; A23-M26 PolarHBondContact O-N 3.43Å; M26-G28 PolarHBondContact O-N 3.17Å; M26-A29 PolarHBondContact O-N 3.17Å; M26-A29 VanDerWaalsContact O-N 3.14Å; M26-V30 WeakPolarHBondContact O-CG2 3.41Å; M26-V30 PolarHBondContact O-N 2.69Å; M26-L36 HydrophobicContact CE-CD1 4.47Å; M26-E40 HydrophobicContact CE-CB 4.41Å; M26-E40 WeakPolarHBondContact CE-O 3.32Å; M26-L43 HydrophobicContact CE-CB 4.19Å; M26-L43 HydrophobicContact SD-CB 3.98Å; M26-L44 HydrophobicContact CB-CD1 3.75Å; M26-L44 HydrophobicContact CE-CB 3.94Å
27K98.1Very high96.2Very high71 Ų7159.3 Ų59.331%0.30930%0.303SS..Hα-helixtrans-53.7-53.4170.5-179.3169.6-179.2176.90111.2A23 A29 V30 E31 Y48 T98 L102A23-K27 VanDerWaalsContact O-CB 3.3Å; A23-K27 WeakPolarHBondContact O-CB 3.46Å; A23-K27 PolarHBondContact O-N 2.99Å; K27-A29 PolarHBondContact O-N 3.13Å; K27-V30 PolarHBondContact O-N 3.43Å; K27-E31 WeakPolarHBondContact CE-OE1 3.45Å; K27-E31 WeakPolarHBondContact O-CG 3.35Å; K27-E31 PolarHBondContact O-N 2.83Å; K27-Y48 WeakPolarHBondContact CB-OH 3.33Å; K27-T98 HydrophobicContact CD-CG2 3.88Å; K27-L102 HydrophobicContact CB-CD1 4.26Å; K27-L102 HydrophobicContact CG-CD1 4.08Å; K27-L102 HydrophobicContact CG-CD2 4.18Å
28G97.6Very high96Very high17 Ų1756 Ų5618%0.17529%0.294CS..Hα-helixtrans-61.3-29.6179.700000113.1L6 A24 F25 M26 K32L6-G28 WeakPolarHBondContact CD1-O 3.36Å; A24-G28 PolarHBondContact O-N 2.9Å; A24-G28 VanDerWaalsContact O-N 3.13Å; F25-G28 PolarHBondContact O-N 3.06Å; M26-G28 PolarHBondContact O-N 3.17Å; G28-K32 WeakPolarHBondContact O-CG 3.48Å
29A97.1Very high95.8Very high0 Ų054.5 Ų54.50%029%0.293CS..Hα-helixtrans-75.2-41.2176.700000112.1R3 L6 I7 F25 M26 K27 K32R3-A29 HydrophobicContact CG-CB 4.16Å; L6-A29 HydrophobicContact CB-CB 4.04Å; I7-A29 HydrophobicContact CD1-CB 3.57Å; I7-A29 HydrophobicContact CG1-CB 4.23Å; F25-A29 PolarHBondContact O-N 2.9Å; M26-A29 PolarHBondContact O-N 3.17Å; M26-A29 VanDerWaalsContact O-N 3.14Å; K27-A29 PolarHBondContact O-N 3.13Å; A29-K32 WeakPolarHBondContact O-CB 3.32Å; A29-K32 PolarHBondContact O-N 3.34Å
30V97Very high95.7Very high3 Ų353.1 Ų53.12%0.01829%0.289CS..Hα-helixtrans-63.1-42.6176171.90000111.2M26 K27 K32 G33 L36 L44 L102 H106 L107M26-V30 WeakPolarHBondContact O-CG2 3.41Å; M26-V30 PolarHBondContact O-N 2.69Å; K27-V30 PolarHBondContact O-N 3.43Å; V30-K32 PolarHBondContact O-N 3.06Å; V30-G33 PolarHBondContact O-N 2.83Å; V30-L36 HydrophobicContact CG2-CD1 3.93Å; V30-L36 HydrophobicContact CG2-CD2 4.19Å; V30-L36 HydrophobicContact CG2-CG 4.4Å; V30-L44 HydrophobicContact CG2-CD1 4.19Å; V30-L44 HydrophobicContact CG2-CD2 4.37Å; V30-L102 HydrophobicContact CB-CD2 4.35Å; V30-L102 HydrophobicContact CG1-CB 4.46Å; V30-L102 HydrophobicContact CG1-CD2 3.95Å; V30-H106 HydrophobicContact CG1-CB 3.6Å; V30-L107 HydrophobicContact CG1-CD1 4.44Å; V30-L107 HydrophobicContact CG1-CD2 3.8Å; V30-L107 HydrophobicContact CG1-CG 3.95Å; V30-L107 HydrophobicContact CG2-CD2 3.96Å
31E96.1Very high95.7Very high101 Ų10148.1 Ų48.147%0.47227%0.265SS..THydrogen-bonded Turntrans-65.9-6.9179-70.3172.7168.200113.5K27 G33 L102K27-E31 WeakPolarHBondContact CE-OE1 3.45Å; K27-E31 WeakPolarHBondContact O-CG 3.35Å; K27-E31 PolarHBondContact O-N 2.83Å; E31-G33 VanDerWaalsContact C-N 3.31Å; E31-L102 HydrophobicContact CG-CD2 4.03Å
32K93.8Very high95.6Very high121 Ų12149.5 Ų49.553%0.52627%0.272SS..THydrogen-bonded Turntrans-79.2-9.9170.6-62.5-63.9175.6-170.90113.9R3 G28 A29 V30R3-K32 HydrophobicContact CB-CB 4.3Å; R3-K32 HydrophobicContact CB-CG 4.16Å; R3-K32 HydrophobicContact CG-CB 4.37Å; G28-K32 WeakPolarHBondContact O-CG 3.48Å; A29-K32 WeakPolarHBondContact O-CB 3.32Å; A29-K32 PolarHBondContact O-N 3.34Å; V30-K32 PolarHBondContact O-N 3.06Å
33G86.6Confident95.5Very high46 Ų4650 Ų5047%0.47427%0.274SS..  trans79.52316900000115.6V30 E31V30-G33 PolarHBondContact O-N 2.83Å; E31-G33 VanDerWaalsContact C-N 3.31Å
34E88.6Confident95.5Very high112 Ų11249.7 Ų49.752%0.52327%0.272SS..PPolyproline II helixtrans-103.2137.8170.4-68.9171.7-145.800109.8R3 L36R3-E34 WeakPolarHBondContact CD-OE2 3.32Å; R3-E34 IonicContact CZ-OE2 3.26Å; R3-E34 IonicContact NE-OE2 2.7Å; R3-E34 PolarHBondContact NE-OE2 3.13Å; R3-E34 IonicContact NH1-OE2 3.91Å; R3-E34 PolarHBondContact NH1-OE2 2.99Å; E34-L36 PolarHBondContact O-N 3.21Å
35E92.5Very high95.5Very high90 Ų9048.4 Ų48.442%0.42126%0.259SS..PPolyproline II helixtrans-54.8135.3172.8-173.2171.5-154.500110.4R3 G112R3-E35 PolarHBondContact NH2-O 3.39Å; E35-G112 PolarHBondContact OE1-N 3.49Å
36L95.4Very high95.5Very high6 Ų648.3 Ų48.33%0.03126%0.262CS..PPolyproline II helixtrans-78.2132.2178.5-59.2-171.3000110.1M26 V30 E34 E40 R41 L44 L107M26-L36 HydrophobicContact CE-CD1 4.47Å; V30-L36 HydrophobicContact CG2-CD1 3.93Å; V30-L36 HydrophobicContact CG2-CD2 4.19Å; V30-L36 HydrophobicContact CG2-CG 4.4Å; E34-L36 PolarHBondContact O-N 3.21Å; L36-E40 HydrophobicContact CB-CB 3.98Å; L36-E40 HydrophobicContact CD2-CB 4.12Å; L36-E40 HydrophobicContact CG-CB 4.44Å; L36-R41 HydrophobicContact CB-CB 4.24Å; L36-L44 HydrophobicContact CD1-CB 4.24Å; L36-L44 HydrophobicContact CD1-CD2 3.98Å; L36-L107 HydrophobicContact CD1-CD2 3.78Å; L36-L107 HydrophobicContact CG-CD2 3.99Å
37S95Very high95.5Very high55 Ų5548.3 Ų48.339%0.38526%0.262SS..PPolyproline II helixtrans-61.7164163.460.60000111.5E39 E40 R41S37-E39 PolarHBondContact O-N 3.41Å; S37-E40 PolarHBondContact N-OE2 3.03Å; S37-E40 PolarHBondContact O-N 2.94Å; S37-E40 VanDerWaalsContact O-N 3.11Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.46Å; S37-E40 PolarHBondContact OG-N 3.18Å; S37-E40 PolarHBondContact OG-OE2 2.8Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.49Å; S37-R41 PolarHBondContact O-N 2.66Å
38C92.6Very high95.5Very high71 Ų7145.4 Ų45.448%0.4825%0.25SC..Hα-helixtrans-53.8-39.4176.1-65.50000113N42C38-N42 WeakPolarHBondContact O-CB 3.49Å; C38-N42 PolarHBondContact O-N 2.97Å; C38-N42 PolarHBondContact O-ND2 3.49Å
39E95.3Very high95.5Very high110 Ų11051 Ų5151%0.51427%0.269SS..Hα-helixtrans-65.3-48.3176.9-170.8-171.8-163.500111.2K11 S37 R41 N42 L43K11-E39 WeakPolarHBondContact CE-OE1 3.44Å; K11-E39 IonicContact NZ-OE1 2.95Å; K11-E39 PolarHBondContact NZ-OE1 2.98Å; K11-E39 IonicContact NZ-OE2 2.65Å; K11-E39 PolarHBondContact NZ-OE2 3.29Å; S37-E39 PolarHBondContact O-N 3.41Å; E39-R41 PolarHBondContact O-N 3.33Å; E39-N42 PolarHBondContact O-N 3.47Å; E39-L43 WeakPolarHBondContact O-CG 3.41Å; E39-L43 PolarHBondContact O-N 2.83Å
40E96.9Very high95.6Very high24 Ų2454 Ų5411%0.11229%0.285CS..Hα-helixtrans-66.3-37.6-179.6-66.5163.7149.200112.1R3 I7 M26 L36 S37 N42 L43 L44R3-E40 IonicContact CZ-OE1 3.68Å; R3-E40 IonicContact CZ-OE2 2.75Å; R3-E40 IonicContact NH1-OE1 2.67Å; R3-E40 PolarHBondContact NH1-OE1 3.35Å; R3-E40 IonicContact NH1-OE2 3.53Å; R3-E40 IonicContact NH2-OE1 3.13Å; R3-E40 PolarHBondContact NH2-OE1 2.96Å; R3-E40 IonicContact NH2-OE2 2.66Å; R3-E40 PolarHBondContact NH2-OE2 3.23Å; I7-E40 HydrophobicContact CD1-CB 4.39Å; I7-E40 HydrophobicContact CD1-CG 3.93Å; I7-E40 HydrophobicContact CG1-CG 4.26Å; I7-E40 HydrophobicContact CG2-CG 4.14Å; M26-E40 HydrophobicContact CE-CB 4.41Å; M26-E40 WeakPolarHBondContact CE-O 3.32Å; L36-E40 HydrophobicContact CB-CB 3.98Å; L36-E40 HydrophobicContact CD2-CB 4.12Å; L36-E40 HydrophobicContact CG-CB 4.44Å; S37-E40 PolarHBondContact N-OE2 3.03Å; S37-E40 PolarHBondContact O-N 2.94Å; S37-E40 VanDerWaalsContact O-N 3.11Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.46Å; S37-E40 PolarHBondContact OG-N 3.18Å; S37-E40 PolarHBondContact OG-OE2 2.8Å; E40-N42 VanDerWaalsContact C-N 3.34Å; E40-L43 WeakPolarHBondContact O-CB 3.36Å; E40-L43 PolarHBondContact O-N 3.46Å; E40-L44 PolarHBondContact O-N 3.08Å
41R96.8Very high95.6Very high11 Ų1154.5 Ų54.54%0.04229%0.288CS..Hα-helixtrans-61.8-42.4173.6-177.7-179.274.2-164.1-0.3111.4L36 S37 E39 L44 S45 S116 F119 Y120L36-R41 HydrophobicContact CB-CB 4.24Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.49Å; S37-R41 PolarHBondContact O-N 2.66Å; E39-R41 PolarHBondContact O-N 3.33Å; R41-L44 PolarHBondContact O-N 2.98Å; R41-S45 PolarHBondContact O-N 3.39Å; R41-S45 VanDerWaalsContact O-N 3.07Å; R41-S116 PolarHBondContact NH1-OG 3.47Å; R41-F119 VanDerWaalsContact CD-CD1 3.44Å; R41-F119 HydrophobicContact CG-CD1 3.53Å; R41-F119 HydrophobicContact CG-CD2 4.43Å; R41-F119 HydrophobicContact CG-CE1 3.33Å; R41-F119 HydrophobicContact CG-CE2 4.24Å; R41-F119 HydrophobicContact CG-CG 4.09Å; R41-F119 HydrophobicContact CG-CZ 3.7Å; R41-Y120 HydrophobicContact CG-CE1 3.74Å
42N95.5Very high95.7Very high83 Ų8349.8 Ų49.844%0.44427%0.266SS..Hα-helixtrans-65.9-41.9175.3-72.8-13.5000111.5C38 E39 E40 L44 S45 V46C38-N42 WeakPolarHBondContact O-CB 3.49Å; C38-N42 PolarHBondContact O-N 2.97Å; C38-N42 PolarHBondContact O-ND2 3.49Å; E39-N42 PolarHBondContact O-N 3.47Å; E40-N42 VanDerWaalsContact C-N 3.34Å; N42-L44 PolarHBondContact O-N 3.39Å; N42-S45 PolarHBondContact O-N 3.36Å; N42-V46 WeakPolarHBondContact O-CG2 3.34Å; N42-V46 PolarHBondContact O-N 3.35Å
43L97.8Very high95.9Very high9 Ų945.3 Ų45.35%0.04726%0.255CS..Hα-helixtrans-58-47.1173.8-72.4169.9000111.7I7 K11 E14 M22 M26 E39 E40 S45 V46 A47I7-L43 HydrophobicContact CG2-CD1 4.3Å; K11-L43 HydrophobicContact CD-CD1 4.44Å; K11-L43 HydrophobicContact CG-CD1 3.75Å; K11-L43 HydrophobicContact CG-CD2 4.24Å; E14-L43 VanDerWaalsContact OE2-CD2 3.25Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.45Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.5Å; M22-L43 HydrophobicContact CE-CG 4.33Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M26-L43 HydrophobicContact CE-CB 4.19Å; M26-L43 HydrophobicContact SD-CB 3.98Å; E39-L43 WeakPolarHBondContact O-CG 3.41Å; E39-L43 PolarHBondContact O-N 2.83Å; E40-L43 WeakPolarHBondContact O-CB 3.36Å; E40-L43 PolarHBondContact O-N 3.46Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.34Å; L43-V46 PolarHBondContact O-N 2.69Å; L43-A47 WeakPolarHBondContact O-CB 3.47Å; L43-A47 PolarHBondContact O-N 2.87Å
44L98.3Very high96.5Very high2 Ų245.3 Ų45.31%0.0126%0.255CS..Hα-helixtrans-56.3-46.6176.4-179.974.2000111.3M26 V30 L36 E40 R41 N42 A47 Y48 L107M26-L44 HydrophobicContact CB-CD1 3.75Å; M26-L44 HydrophobicContact CE-CB 3.94Å; V30-L44 HydrophobicContact CG2-CD1 4.19Å; V30-L44 HydrophobicContact CG2-CD2 4.37Å; L36-L44 HydrophobicContact CD1-CB 4.24Å; L36-L44 HydrophobicContact CD1-CD2 3.98Å; E40-L44 PolarHBondContact O-N 3.08Å; R41-L44 PolarHBondContact O-N 2.98Å; N42-L44 PolarHBondContact O-N 3.39Å; L44-A47 PolarHBondContact O-N 3.34Å; L44-Y48 HydrophobicContact CD1-CD2 3.68Å; L44-Y48 HydrophobicContact CD1-CE2 3.5Å; L44-Y48 VanDerWaalsContact CD1-CE2 3.5Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 WeakPolarHBondContact O-CD2 3.41Å; L44-Y48 PolarHBondContact O-N 3.37Å; L44-L107 HydrophobicContact CD2-CD1 3.42Å; L44-L107 VanDerWaalsContact CD2-CD1 3.42Å; L44-L107 HydrophobicContact CD2-CD2 4.3Å
45S97.8Very high96.9Very high34 Ų3441.7 Ų41.724%0.23824%0.238CC..Hα-helixtrans-63.6-48.1-179.9-177.40000112R41 N42 L43 A47 K49R41-S45 PolarHBondContact O-N 3.39Å; R41-S45 VanDerWaalsContact O-N 3.07Å; N42-S45 PolarHBondContact O-N 3.36Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.34Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.99Å; S45-K49 WeakPolarHBondContact O-CB 3.48Å; S45-K49 PolarHBondContact O-N 3.26Å
46V98.2Very high97.2Very high48 Ų4838.8 Ų38.829%0.29122%0.223SC..Hα-helixtrans-59.3-44.8177.3169.40000111.1Y19 M22 N42 L43 N50Y19-V46 HydrophobicContact CE1-CG1 4.31Å; M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.12Å; M22-V46 HydrophobicContact SD-CG1 4.32Å; N42-V46 WeakPolarHBondContact O-CG2 3.34Å; N42-V46 PolarHBondContact O-N 3.35Å; L43-V46 PolarHBondContact O-N 2.69Å; V46-N50 PolarHBondContact O-N 2.99Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.47Å
47A98.5Very high97.3Very high0 Ų041.1 Ų41.10%024%0.243CC..Hα-helixtrans-56.6-61.5-179.700000111.3M22 A23 L43 L44 S45 K49 N50 V51M22-A47 HydrophobicContact CB-CB 3.93Å; M22-A47 HydrophobicContact CE-CB 4.08Å; M22-A47 HydrophobicContact CG-CB 3.57Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å; A23-A47 HydrophobicContact CB-CB 4.23Å; L43-A47 WeakPolarHBondContact O-CB 3.47Å; L43-A47 PolarHBondContact O-N 2.87Å; L44-A47 PolarHBondContact O-N 3.34Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.99Å; A47-K49 PolarHBondContact O-N 2.92Å; A47-N50 PolarHBondContact O-N 3.44Å; A47-V51 WeakPolarHBondContact O-CG2 3.24Å; A47-V51 PolarHBondContact O-N 2.87Å
48Y98.6Very high97.5Very high11 Ų1140.2 Ų40.24%0.04324%0.239CC..Hα-helixtrans-72.8-31.4-174.5-75.8-77.7000112.8A23 K27 L44 N50 V51 V52 V95 T98 V99 L102 Y127A23-Y48 HydrophobicContact CB-CD1 3.97Å; A23-Y48 HydrophobicContact CB-CD2 4.39Å; A23-Y48 HydrophobicContact CB-CE1 3.8Å; A23-Y48 HydrophobicContact CB-CE2 4.2Å; A23-Y48 HydrophobicContact CB-CG 4.28Å; A23-Y48 PolarHBondContact O-OH 3.39Å; K27-Y48 WeakPolarHBondContact CB-OH 3.33Å; L44-Y48 HydrophobicContact CD1-CD2 3.68Å; L44-Y48 HydrophobicContact CD1-CE2 3.5Å; L44-Y48 VanDerWaalsContact CD1-CE2 3.5Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 WeakPolarHBondContact O-CD2 3.41Å; L44-Y48 PolarHBondContact O-N 3.37Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.43Å; Y48-V51 PolarHBondContact O-N 3.02Å; Y48-V52 VanDerWaalsContact O-CG1 3.3Å; Y48-V52 WeakPolarHBondContact O-CG1 3.42Å; Y48-V52 PolarHBondContact O-N 2.97Å; Y48-V95 HydrophobicContact CD1-CG1 4.06Å; Y48-T98 HydrophobicContact CE1-CG2 4.13Å; Y48-T98 WeakPolarHBondContact OH-CG2 3.5Å; Y48-V99 HydrophobicContact CD1-CG2 3.28Å; Y48-V99 HydrophobicContact CD2-CG2 3.91Å; Y48-V99 HydrophobicContact CE1-CG2 3.63Å; Y48-V99 HydrophobicContact CE2-CG2 4.23Å; Y48-V99 HydrophobicContact CG-CG2 3.41Å; Y48-V99 VanDerWaalsContact CG-CG2 3.41Å; Y48-L102 HydrophobicContact CE2-CD1 4.19Å; Y48-Y127 WeakPolarHBondContact CB-OH 3.45Å; Y48-Y127 PolarHBondContact O-OH 3.49Å
49K97.9Very high97.7Very high133 Ų13338.7 Ų38.758%0.57822%0.223SC*.Hα-helixtrans-59.7-41.5175-179.6-176.2175.9-173.30111.6S45 A47 G53 Y127S45-K49 WeakPolarHBondContact O-CB 3.48Å; S45-K49 PolarHBondContact O-N 3.26Å; A47-K49 PolarHBondContact O-N 2.92Å; K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.37Å; K49-Y127 PolarHBondContact N-OH 2.79Å
50N98.2Very high97.9Very high64 Ų6438.5 Ų38.534%0.34222%0.218SC..Hα-helixtrans-70.6-44178.5-80.8-72.9000111.9Y19 V46 A47 Y48 G53 G54Y19-N50 HydrophobicContact CD1-CB 3.56Å; Y19-N50 HydrophobicContact CD2-CB 3.5Å; Y19-N50 HydrophobicContact CE1-CB 3.93Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.47Å; Y19-N50 HydrophobicContact CE2-CB 3.87Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; V46-N50 PolarHBondContact O-N 2.99Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.47Å; A47-N50 PolarHBondContact O-N 3.44Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.43Å; N50-G53 PolarHBondContact O-N 3.34Å; N50-G54 PolarHBondContact O-N 3Å
51V98.3Very high97.9Very high14 Ų1441.5 Ų41.59%0.08524%0.238CC..Hα-helixtrans-59.1-53.7177.2177.80000110.8Y19 E20 A23 A47 Y48 G53 G54 Q55 V95Y19-V51 WeakPolarHBondContact O-CG2 3.47Å; E20-V51 HydrophobicContact CG-CG2 4.27Å; A23-V51 HydrophobicContact CB-CG2 4.31Å; A47-V51 WeakPolarHBondContact O-CG2 3.24Å; A47-V51 PolarHBondContact O-N 2.87Å; Y48-V51 PolarHBondContact O-N 3.02Å; V51-G53 VanDerWaalsContact C-N 3.29Å; V51-G53 PolarHBondContact O-N 3.44Å; V51-G54 PolarHBondContact O-N 3.44Å; V51-Q55 WeakPolarHBondContact O-CG 2.99Å; V51-Q55 PolarHBondContact O-N 3.25Å; V51-V95 HydrophobicContact CG1-CG1 4.16Å; V51-V95 HydrophobicContact CG1-CG2 3.72Å
52V98.3Very high97.9Very high1 Ų141.8 Ų41.81%0.00624%0.24CC..Hα-helixtrans-67.9-31.7-179.878.10000111.9Y48 Q55 R56 L92 V95 Y127 Y130Y48-V52 VanDerWaalsContact O-CG1 3.3Å; Y48-V52 WeakPolarHBondContact O-CG1 3.42Å; Y48-V52 PolarHBondContact O-N 2.97Å; V52-Q55 PolarHBondContact O-N 3.45Å; V52-R56 HydrophobicContact CG2-CG 4.43Å; V52-R56 WeakPolarHBondContact O-CB 3.48Å; V52-R56 VanDerWaalsContact O-CG 3.25Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 3.16Å; V52-L92 HydrophobicContact CG2-CG 4.28Å; V52-V95 HydrophobicContact CB-CG1 4.09Å; V52-V95 HydrophobicContact CG2-CG1 4.47Å; V52-Y127 HydrophobicContact CB-CE1 4.12Å; V52-Y127 HydrophobicContact CG1-CE1 4.01Å; V52-Y127 HydrophobicContact CG2-CE1 4.29Å; V52-Y130 HydrophobicContact CB-CD2 4.5Å; V52-Y130 HydrophobicContact CG1-CD2 3.88Å; V52-Y130 HydrophobicContact CG1-CE2 3.71Å; V52-Y130 HydrophobicContact CG2-CD2 3.82Å; V52-Y130 HydrophobicContact CG2-CG 4.35Å
53G97.9Very high97.9Very high28 Ų2839.2 Ų39.229%0.28923%0.229SC..Hα-helixtrans-61.6-45.1175.700000112.6K49 N50 V51 R56 A57K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.37Å; N50-G53 PolarHBondContact O-N 3.34Å; V51-G53 VanDerWaalsContact C-N 3.29Å; V51-G53 PolarHBondContact O-N 3.44Å; G53-R56 PolarHBondContact O-N 2.86Å; G53-A57 WeakPolarHBondContact O-CB 3.46Å; G53-A57 PolarHBondContact O-N 2.96Å
54G97.4Very high97.8Very high46 Ų4641.1 Ų41.147%0.47424%0.243SC..Hα-helixtrans-60.3-45.5174.700000112.2N50 V51 A57 A58N50-G54 PolarHBondContact O-N 3Å; V51-G54 PolarHBondContact O-N 3.44Å; G54-A57 PolarHBondContact O-N 3.21Å; G54-A58 PolarHBondContact O-N 3.1Å
55Q98Very high97.6Very high36 Ų3644.8 Ų44.817%0.16826%0.262CS..Hα-helixtrans-63.6-43.7178.4-65.3-64.7-4.600112.4V51 V52 A57 A58 W59 V88 E91 L92V51-Q55 WeakPolarHBondContact O-CG 2.99Å; V51-Q55 PolarHBondContact O-N 3.25Å; V52-Q55 PolarHBondContact O-N 3.45Å; Q55-A57 PolarHBondContact O-N 3.2Å; Q55-A58 PolarHBondContact O-N 2.85Å; Q55-W59 WeakPolarHBondContact O-CB 3.42Å; Q55-W59 PolarHBondContact O-N 3.16Å; Q55-V88 VanDerWaalsContact O-CG1 3.32Å; Q55-V88 WeakPolarHBondContact O-CG1 3.47Å; Q55-E91 PolarHBondContact NE2-OE2 3.47Å; Q55-E91 PolarHBondContact OE1-OE2 3.28Å; Q55-L92 HydrophobicContact CB-CB 4.09Å; Q55-L92 HydrophobicContact CB-CD1 4.46Å; Q55-L92 HydrophobicContact CB-CG 4.48Å
56R98.1Very high97.3Very high29 Ų2944 Ų4411%0.10925%0.254CS..Hα-helixtrans-63.4-40.7176.2-72.2174.872.3-132.38.6112.6V52 G53 W59 R60 L92 Y130 E133V52-R56 HydrophobicContact CG2-CG 4.43Å; V52-R56 WeakPolarHBondContact O-CB 3.48Å; V52-R56 VanDerWaalsContact O-CG 3.25Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 3.16Å; G53-R56 PolarHBondContact O-N 2.86Å; R56-W59 PolarHBondContact O-N 2.81Å; R56-R60 VanDerWaalsContact O-CG 3.3Å; R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 3.24Å; R56-L92 HydrophobicContact CB-CD1 4.46Å; R56-L92 HydrophobicContact CG-CD1 3.49Å; R56-L92 VanDerWaalsContact CG-CD1 3.49Å; R56-Y130 VanDerWaalsContact NE-CD1 3.34Å; R56-E133 IonicContact CZ-OE2 2.79Å; R56-E133 IonicContact NE-OE2 3.68Å; R56-E133 PolarHBondContact NE-OE2 3.01Å; R56-E133 IonicContact NH2-OE1 2.79Å; R56-E133 IonicContact NH2-OE2 3.69Å; R56-E133 PolarHBondContact NH2-OE2 3.08Å
57A98.3Very high97Very high54 Ų5447.1 Ų47.145%0.44627%0.265SS..Hα-helixtrans-63.6-46.1176.700000111.2G53 G54 Q55 W59 R60 V61G53-A57 WeakPolarHBondContact O-CB 3.46Å; G53-A57 PolarHBondContact O-N 2.96Å; G54-A57 PolarHBondContact O-N 3.21Å; Q55-A57 PolarHBondContact O-N 3.2Å; A57-W59 VanDerWaalsContact C-N 3.35Å; A57-W59 PolarHBondContact O-N 3.1Å; A57-R60 PolarHBondContact O-N 3.08Å; A57-V61 WeakPolarHBondContact O-CG2 3.33Å; A57-V61 PolarHBondContact O-N 3.22Å
58A98.2Very high96.6Very high37 Ų3752.8 Ų52.831%0.30629%0.29SS..Hα-helixtrans-59.1-46.7175.300000111.4G54 Q55 R60 V61 L62 V88G54-A58 PolarHBondContact O-N 3.1Å; Q55-A58 PolarHBondContact O-N 2.85Å; A58-R60 PolarHBondContact O-N 3.32Å; A58-V61 PolarHBondContact O-N 2.98Å; A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 3.27Å; A58-V88 HydrophobicContact CB-CG1 4.13Å; A58-V88 HydrophobicContact CB-CG2 4.41Å
59W98.3Very high96.1Very high39 Ų3952.6 Ų52.615%0.14829%0.29CS..Hα-helixtrans-57.3-50.1178.6-178.179.9000112.2Q55 R56 A57 V61 L62 S63 V88 E89 E133 V134Q55-W59 WeakPolarHBondContact O-CB 3.42Å; Q55-W59 PolarHBondContact O-N 3.16Å; R56-W59 PolarHBondContact O-N 2.81Å; A57-W59 VanDerWaalsContact C-N 3.35Å; A57-W59 PolarHBondContact O-N 3.1Å; W59-V61 VanDerWaalsContact C-N 3.31Å; W59-V61 PolarHBondContact O-N 3.31Å; W59-L62 PolarHBondContact O-N 3.48Å; W59-L62 VanDerWaalsContact O-N 3.17Å; W59-S63 VanDerWaalsContact CE2-OG 3.31Å; W59-S63 WeakPolarHBondContact CZ2-OG 3.25Å; W59-S63 WeakPolarHBondContact O-CB 3.48Å; W59-S63 PolarHBondContact O-N 2.88Å; W59-S63 PolarHBondContact O-OG 3.32Å; W59-S63 VanDerWaalsContact O-OG 3.06Å; W59-V88 HydrophobicContact CB-CG1 3.81Å; W59-E89 PolarHBondContact NE1-OE1 3.34Å; W59-E133 HydrophobicContact CE3-CG 4.48Å; W59-E133 HydrophobicContact CH2-CG 4.43Å; W59-E133 WeakPolarHBondContact CH2-O 3.3Å; W59-E133 HydrophobicContact CZ3-CG 3.88Å; W59-V134 HydrophobicContact CD2-CG1 3.61Å; W59-V134 HydrophobicContact CE3-CG1 4.01Å; W59-V134 HydrophobicContact CG-CG1 3.95Å; W59-V134 HydrophobicContact CH2-CG1 4.34Å; W59-V134 HydrophobicContact CZ2-CB 4.19Å; W59-V134 HydrophobicContact CZ2-CG1 3.97Å; W59-V134 HydrophobicContact CZ3-CG1 4.36Å
60R97.9Very high95.5Very high105 Ų10550.5 Ų50.540%0.39629%0.286SS..Hα-helixtrans-60.1-40.2179.8-71.1172.8-176.6162.8-20.1112.9R56 A57 A58 S64 E133R56-R60 VanDerWaalsContact O-CG 3.3Å; R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 3.24Å; A57-R60 PolarHBondContact O-N 3.08Å; A58-R60 PolarHBondContact O-N 3.32Å; R60-S64 WeakPolarHBondContact O-CB 3.01Å; R60-S64 PolarHBondContact O-N 3.13Å; R60-E133 IonicContact CZ-OE1 3.35Å; R60-E133 IonicContact NE-OE1 2.8Å; R60-E133 PolarHBondContact NE-OE1 3.44Å; R60-E133 IonicContact NH2-OE1 3.71Å; R60-E133 PolarHBondContact NH2-OE1 3.17Å; R60-E133 IonicContact NH2-OE2 3.45Å
61V97.7Very high94.9Very high87 Ų8754 Ų5453%0.52730%0.3SS..Hα-helixtrans-63.8-47.7176.3171.30000110.2A57 A58 W59 S64 I65A57-V61 WeakPolarHBondContact O-CG2 3.33Å; A57-V61 PolarHBondContact O-N 3.22Å; A58-V61 PolarHBondContact O-N 2.98Å; W59-V61 VanDerWaalsContact C-N 3.31Å; W59-V61 PolarHBondContact O-N 3.31Å; V61-S64 PolarHBondContact O-N 3.22Å; V61-I65 HydrophobicContact CG1-CD1 3.81Å; V61-I65 HydrophobicContact CG1-CG1 4.49Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.45Å; V61-I65 PolarHBondContact O-N 3.45Å
62L97.1Very high94.3Very high18 Ų1860.9 Ų60.99%0.09433%0.331CS..Hα-helixtrans-64-42.4179.6-67.9168.7000112.1A58 W59 S64 I65 E66 Y84 R85 V88A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 3.27Å; W59-L62 PolarHBondContact O-N 3.48Å; W59-L62 VanDerWaalsContact O-N 3.17Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.46Å; L62-I65 PolarHBondContact O-N 3.38Å; L62-E66 PolarHBondContact O-N 2.91Å; L62-Y84 HydrophobicContact CD1-CD1 3.84Å; L62-Y84 HydrophobicContact CD1-CE1 4.16Å; L62-Y84 HydrophobicContact CD1-CG 4.18Å; L62-Y84 HydrophobicContact CD2-CD1 3.57Å; L62-Y84 HydrophobicContact CD2-CE1 4.13Å; L62-Y84 HydrophobicContact CD2-CG 4.42Å; L62-Y84 HydrophobicContact CG-CD1 4.37Å; L62-R85 HydrophobicContact CB-CB 3.99Å; L62-R85 HydrophobicContact CB-CG 4.33Å; L62-V88 HydrophobicContact CD1-CB 4.33Å; L62-V88 HydrophobicContact CD1-CG2 3.74Å
63S95.2Very high93.2Very high29 Ų2963.5 Ų63.520%0.20336%0.359CS..Hα-helixtrans-59.3-41.3173.8-61.60000112W59 E66 Q67 R85W59-S63 VanDerWaalsContact CE2-OG 3.31Å; W59-S63 WeakPolarHBondContact CZ2-OG 3.25Å; W59-S63 WeakPolarHBondContact O-CB 3.48Å; W59-S63 PolarHBondContact O-N 2.88Å; W59-S63 PolarHBondContact O-OG 3.32Å; W59-S63 VanDerWaalsContact O-OG 3.06Å; S63-E66 PolarHBondContact O-N 3.28Å; S63-Q67 WeakPolarHBondContact O-CB 3.31Å; S63-Q67 PolarHBondContact O-N 2.88Å; S63-R85 WeakPolarHBondContact OG-CD 3.23Å
64S95.2Very high92.1Very high49 Ų4963.9 Ų63.934%0.34336%0.356SS..Hα-helixtrans-67.1-38.8176.3-173.70000112.6R60 V61 L62 K68R60-S64 WeakPolarHBondContact O-CB 3.01Å; R60-S64 PolarHBondContact O-N 3.13Å; V61-S64 PolarHBondContact O-N 3.22Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.46Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.42Å; S64-K68 VanDerWaalsContact O-N 3.16Å
65I94.4Very high90.8Very high79 Ų7970.2 Ų70.241%0.40537%0.374SS..Hα-helixtrans-66.3-45175.4-65.7166.3000110.2V61 L62 Q67 K68 S69 V81V61-I65 HydrophobicContact CG1-CD1 3.81Å; V61-I65 HydrophobicContact CG1-CG1 4.49Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.45Å; V61-I65 PolarHBondContact O-N 3.45Å; L62-I65 PolarHBondContact O-N 3.38Å; I65-Q67 PolarHBondContact O-N 2.84Å; I65-K68 PolarHBondContact O-N 3.43Å; I65-S69 WeakPolarHBondContact O-CB 3.27Å; I65-S69 PolarHBondContact O-N 3.31Å; I65-S69 PolarHBondContact O-OG 2.91Å; I65-V81 HydrophobicContact CB-CG1 4.14Å; I65-V81 HydrophobicContact CG2-CG1 3.91Å; I65-V81 HydrophobicContact CG2-CG2 3.88Å
66E92.1Very high89.8Confident16 Ų1676.7 Ų76.78%0.07540%0.404CS..Hα-helixtrans-59.2-47.9178.3-171.3-179.4-177.400110.4L62 S63 K68 S69 N70 V81 R82 R85L62-E66 PolarHBondContact O-N 2.91Å; S63-E66 PolarHBondContact O-N 3.28Å; E66-K68 PolarHBondContact O-N 2.75Å; E66-S69 WeakPolarHBondContact CA-OG 3.31Å; E66-S69 PolarHBondContact O-N 2.75Å; E66-S69 PolarHBondContact O-OG 3.14Å; E66-N70 VanDerWaalsContact O-CG 3.29Å; E66-N70 PolarHBondContact O-N 2.88Å; E66-N70 PolarHBondContact O-ND2 3.15Å; E66-V81 HydrophobicContact CB-CG1 3.85Å; E66-R82 IonicContact OE1-CZ 3.45Å; E66-R82 IonicContact OE1-NE 2.82Å; E66-R82 PolarHBondContact OE1-NE 2.67Å; E66-R82 IonicContact OE1-NH2 3.17Å; E66-R82 PolarHBondContact OE1-NH2 3.29Å; E66-R82 VanDerWaalsContact OE1-NH2 3.17Å; E66-R85 IonicContact OE1-NH2 3.74Å; E66-R85 IonicContact OE2-CZ 3.27Å; E66-R85 VanDerWaalsContact OE2-CZ 3.27Å; E66-R85 IonicContact OE2-NE 2.69Å; E66-R85 PolarHBondContact OE2-NE 3.21Å; E66-R85 IonicContact OE2-NH2 2.99Å; E66-R85 PolarHBondContact OE2-NH2 3.42Å
67Q91Very high88.8Confident115 Ų11581.8 Ų81.854%0.53743%0.427SS..Hα-helixtrans-56.6-50.6178.6-176.3-177.1-14.200111.9S63 I65 S69 N70 E71S63-Q67 WeakPolarHBondContact O-CB 3.31Å; S63-Q67 PolarHBondContact O-N 2.88Å; I65-Q67 PolarHBondContact O-N 2.84Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 3.47Å; Q67-N70 PolarHBondContact O-N 3.16Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.44Å; Q67-E71 PolarHBondContact NE2-OE1 3.42Å; Q67-E71 WeakPolarHBondContact O-CG 3.4Å; Q67-E71 PolarHBondContact O-N 3.36Å
68K91.1Very high88.2Confident118 Ų11879.4 Ų79.451%0.51341%0.408SS..Hα-helixtrans-62-40.2178-70.3173.5-176.6174.50112.3S64 I65 E66 N70 E71 E72S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.42Å; S64-K68 VanDerWaalsContact O-N 3.16Å; I65-K68 PolarHBondContact O-N 3.43Å; E66-K68 PolarHBondContact O-N 2.75Å; K68-N70 VanDerWaalsContact C-N 3.25Å; K68-N70 PolarHBondContact O-N 3.43Å; K68-E71 PolarHBondContact O-N 2.7Å; K68-E72 WeakPolarHBondContact O-CG 3.44Å; K68-E72 PolarHBondContact O-N 2.7Å
69S87.3Confident87.8Confident7 Ų781.5 Ų81.55%0.04942%0.418CS..Hα-helixtrans-62.6-34.6178.977.50000112.4I65 E66 Q67 G73 S74I65-S69 WeakPolarHBondContact O-CB 3.27Å; I65-S69 PolarHBondContact O-N 3.31Å; I65-S69 PolarHBondContact O-OG 2.91Å; E66-S69 WeakPolarHBondContact CA-OG 3.31Å; E66-S69 PolarHBondContact O-N 2.75Å; E66-S69 PolarHBondContact O-OG 3.14Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 3.47Å; S69-G73 PolarHBondContact O-N 2.84Å; S69-S74 VanDerWaalsContact CA-OG 3.26Å; S69-S74 WeakPolarHBondContact CA-OG 3.4Å; S69-S74 VanDerWaalsContact CB-OG 3.31Å; S69-S74 WeakPolarHBondContact CB-OG 3.36Å; S69-S74 PolarHBondContact O-N 3.25Å; S69-S74 PolarHBondContact O-OG 2.84Å
70N85.2Confident87.5Confident90 Ų9086.4 Ų86.448%0.48144%0.443SS..Hα-helixtrans-74.8-39.3176.5-67.9-29000111.6E66 Q67 K68 E72 G73E66-N70 VanDerWaalsContact O-CG 3.29Å; E66-N70 PolarHBondContact O-N 2.88Å; E66-N70 PolarHBondContact O-ND2 3.15Å; Q67-N70 PolarHBondContact O-N 3.16Å; K68-N70 VanDerWaalsContact C-N 3.25Å; K68-N70 PolarHBondContact O-N 3.43Å; N70-E72 VanDerWaalsContact C-N 3.35Å; N70-G73 PolarHBondContact O-N 3.39Å
71E86.2Confident87.3Confident136 Ų13682.6 Ų82.664%0.63643%0.431SS*.Hα-helixtrans-64.9-36.5176-72.3171.6-169.500112.3Q67 K68 G73Q67-E71 WeakPolarHBondContact CG-OE1 3.44Å; Q67-E71 PolarHBondContact NE2-OE1 3.42Å; Q67-E71 WeakPolarHBondContact O-CG 3.4Å; Q67-E71 PolarHBondContact O-N 3.36Å; K68-E71 PolarHBondContact O-N 2.7Å; E71-G73 VanDerWaalsContact C-N 3.29Å; E71-G73 PolarHBondContact O-N 3.48Å
72E84.7Confident87.1Confident159 Ų15983.6 Ų83.674%0.74343%0.425SS*.THydrogen-bonded Turntrans-79.8-5.9177.9-69175.8-173.500113.7K68 N70 S74K68-E72 WeakPolarHBondContact O-CG 3.44Å; K68-E72 PolarHBondContact O-N 2.7Å; N70-E72 VanDerWaalsContact C-N 3.35Å; E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 3.39Å
73G77.2Confident87.1Confident57 Ų5789.6 Ų89.659%0.58845%0.453SS*.THydrogen-bonded Turntrans69.123.9-176.700000113.9S69 N70 E71 E75S69-G73 PolarHBondContact O-N 2.84Å; N70-G73 PolarHBondContact O-N 3.39Å; E71-G73 VanDerWaalsContact C-N 3.29Å; E71-G73 PolarHBondContact O-N 3.48Å; G73-E75 PolarHBondContact O-N 3.15Å
74S73.2Confident87.2Confident35 Ų3594.5 Ų94.525%0.24547%0.468CS..  trans-79.279.3-179.164.50000111.9S69 E72 E76 K77 G78S69-S74 VanDerWaalsContact CA-OG 3.26Å; S69-S74 WeakPolarHBondContact CA-OG 3.4Å; S69-S74 VanDerWaalsContact CB-OG 3.31Å; S69-S74 WeakPolarHBondContact CB-OG 3.36Å; S69-S74 PolarHBondContact O-N 3.25Å; S69-S74 PolarHBondContact O-OG 2.84Å; E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 3.39Å; S74-E76 PolarHBondContact O-N 3.35Å; S74-E76 VanDerWaalsContact O-N 3.13Å; S74-K77 PolarHBondContact O-N 2.85Å; S74-G78 PolarHBondContact O-N 3.28Å
75E71.7Confident87.2Confident179 Ų17993.6 Ų93.684%0.83646%0.457SS*.THydrogen-bonded Turntrans-57.7-27.1-177-67.9-174.6170.400114G73 P79G73-E75 PolarHBondContact O-N 3.15Å; E75-P79 WeakPolarHBondContact O-CD 3.35Å
76E75.1Confident87.4Confident172 Ų17294 Ų9480%0.80446%0.457SS*.THydrogen-bonded Turntrans-76.1-37.6-176.3-167.5175.8-161.100113.1S74S74-E76 PolarHBondContact O-N 3.35Å; S74-E76 VanDerWaalsContact O-N 3.13Å
77K79Confident87.6Confident136 Ų13698.6 Ų98.659%0.59148%0.477SS*.THydrogen-bonded Turntrans-90.2-27.7-174.8-68.8-176.1-179.9175.70113.6S74 E80 V81S74-K77 PolarHBondContact O-N 2.85Å; K77-E80 PolarHBondContact O-N 3.1Å; K77-V81 WeakPolarHBondContact O-CG2 3.44Å; K77-V81 PolarHBondContact O-N 3.2Å; K77-V81 VanDerWaalsContact O-N 3.12Å
78G84.9Confident88Confident4 Ų493.3 Ų93.34%0.04145%0.452CS..Hα-helixtrans-52.5-49.3-177.400000113.7S74 V81 R82S74-G78 PolarHBondContact O-N 3.28Å; G78-V81 PolarHBondContact O-N 3.42Å; G78-R82 WeakPolarHBondContact O-CB 3.27Å; G78-R82 PolarHBondContact O-N 3.01Å
79P89.6Confident88.3Confident81 Ų8189.2 Ų89.253%0.52644%0.435SS..Hα-helixtrans-62.6-43.4-179.8-25.435.6000114.3E75 R82 E83E75-P79 WeakPolarHBondContact O-CD 3.35Å; P79-R82 PolarHBondContact O-N 2.87Å; P79-E83 PolarHBondContact O-N 3.36Å
80E91.7Very high88.8Confident142 Ų14293.4 Ų93.466%0.66446%0.461SS*.Hα-helixtrans-66.6-40.6-179.6-64.3-175.116500111.8K77 Y84K77-E80 PolarHBondContact O-N 3.1Å; E80-Y84 PolarHBondContact O-N 3.44Å; E80-Y84 VanDerWaalsContact O-N 3.1Å
81V93.9Very high89.4Confident25 Ų2592.8 Ų92.815%0.15246%0.455CS..Hα-helixtrans-66.4-41.2177.2178.30000110.6I65 E66 K77 G78 Y84 R85I65-V81 HydrophobicContact CB-CG1 4.14Å; I65-V81 HydrophobicContact CG2-CG1 3.91Å; I65-V81 HydrophobicContact CG2-CG2 3.88Å; E66-V81 HydrophobicContact CB-CG1 3.85Å; K77-V81 WeakPolarHBondContact O-CG2 3.44Å; K77-V81 PolarHBondContact O-N 3.2Å; K77-V81 VanDerWaalsContact O-N 3.12Å; G78-V81 PolarHBondContact O-N 3.42Å; V81-Y84 PolarHBondContact O-N 2.96Å; V81-R85 PolarHBondContact O-N 3.43Å
82R94.1Very high90Very high108 Ų10886.3 Ų86.341%0.40843%0.425SS..Hα-helixtrans-60.1-50.8175.4178.2175.6-58.9165.98111.8E66 G78 P79 Y84 R85 E86E66-R82 IonicContact OE1-CZ 3.45Å; E66-R82 IonicContact OE1-NE 2.82Å; E66-R82 PolarHBondContact OE1-NE 2.67Å; E66-R82 IonicContact OE1-NH2 3.17Å; E66-R82 PolarHBondContact OE1-NH2 3.29Å; E66-R82 VanDerWaalsContact OE1-NH2 3.17Å; G78-R82 WeakPolarHBondContact O-CB 3.27Å; G78-R82 PolarHBondContact O-N 3.01Å; P79-R82 PolarHBondContact O-N 2.87Å; R82-Y84 PolarHBondContact O-N 3.3Å; R82-R85 WeakPolarHBondContact O-CB 3.46Å; R82-R85 PolarHBondContact O-N 3.24Å; R82-R85 VanDerWaalsContact O-N 3.13Å; R82-E86 HydrophobicContact CG-CG 4.33Å; R82-E86 VanDerWaalsContact CG-OE1 3.29Å; R82-E86 WeakPolarHBondContact CG-OE1 3.47Å; R82-E86 WeakPolarHBondContact O-CG 3.16Å; R82-E86 PolarHBondContact O-N 3.36Å
83E95.9Very high90.6Very high144 Ų14483.5 Ų83.567%0.67341%0.412SS*.Hα-helixtrans-56.4-42.8179-177.4-178.9176.600110.7P79 E86 K87P79-E83 PolarHBondContact O-N 3.36Å; E83-E86 PolarHBondContact O-N 3.29Å; E83-K87 PolarHBondContact O-N 3.27Å
84Y97.1Very high91.6Very high132 Ų13282.5 Ų82.552%0.51840%0.401SS..Hα-helixtrans-70.9-36178.9-167.4-146.3000113L62 E80 V81 R82 K87 V88L62-Y84 HydrophobicContact CD1-CD1 3.84Å; L62-Y84 HydrophobicContact CD1-CE1 4.16Å; L62-Y84 HydrophobicContact CD1-CG 4.18Å; L62-Y84 HydrophobicContact CD2-CD1 3.57Å; L62-Y84 HydrophobicContact CD2-CE1 4.13Å; L62-Y84 HydrophobicContact CD2-CG 4.42Å; L62-Y84 HydrophobicContact CG-CD1 4.37Å; E80-Y84 PolarHBondContact O-N 3.44Å; E80-Y84 VanDerWaalsContact O-N 3.1Å; V81-Y84 PolarHBondContact O-N 2.96Å; R82-Y84 PolarHBondContact O-N 3.3Å; Y84-K87 HydrophobicContact CD2-CB 4.48Å; Y84-K87 HydrophobicContact CD2-CD 4.19Å; Y84-K87 HydrophobicContact CE2-CD 4.31Å; Y84-K87 PolarHBondContact O-N 3.02Å; Y84-V88 HydrophobicContact CE2-CG2 4.43Å; Y84-V88 PolarHBondContact O-N 3.03Å; Y84-V88 VanDerWaalsContact O-N 3.17Å
85R97Very high92.8Very high30 Ų3082 Ų8211%0.11340%0.396CS..Hα-helixtrans-60-49171.6-178.3-178.153.168.36.1111L62 S63 E66 V81 R82 K87 V88 E89L62-R85 HydrophobicContact CB-CB 3.99Å; L62-R85 HydrophobicContact CB-CG 4.33Å; S63-R85 WeakPolarHBondContact OG-CD 3.23Å; E66-R85 IonicContact OE1-NH2 3.74Å; E66-R85 IonicContact OE2-CZ 3.27Å; E66-R85 VanDerWaalsContact OE2-CZ 3.27Å; E66-R85 IonicContact OE2-NE 2.69Å; E66-R85 PolarHBondContact OE2-NE 3.21Å; E66-R85 IonicContact OE2-NH2 2.99Å; E66-R85 PolarHBondContact OE2-NH2 3.42Å; V81-R85 PolarHBondContact O-N 3.43Å; R82-R85 WeakPolarHBondContact O-CB 3.46Å; R82-R85 PolarHBondContact O-N 3.24Å; R82-R85 VanDerWaalsContact O-N 3.13Å; R85-K87 VanDerWaalsContact C-N 3.28Å; R85-K87 PolarHBondContact O-N 3.19Å; R85-V88 WeakPolarHBondContact O-CB 3.34Å; R85-V88 PolarHBondContact O-N 3.26Å; R85-E89 IonicContact CZ-OE1 3.74Å; R85-E89 IonicContact NH1-OE1 2.62Å; R85-E89 PolarHBondContact NH1-OE1 2.9Å; R85-E89 IonicContact NH1-OE2 3.16Å; R85-E89 PolarHBondContact NH1-OE2 3.39Å; R85-E89 VanDerWaalsContact NH1-OE2 3.16Å; R85-E89 WeakPolarHBondContact O-CG 3.46Å; R85-E89 PolarHBondContact O-N 3.09Å
86E96.8Very high94.1Very high88 Ų8873.4 Ų73.441%0.41136%0.356SS..Hα-helixtrans-63-34-179-71.9173.3-178.600112.2R82 E83 E89 T90R82-E86 HydrophobicContact CG-CG 4.33Å; R82-E86 VanDerWaalsContact CG-OE1 3.29Å; R82-E86 WeakPolarHBondContact CG-OE1 3.47Å; R82-E86 WeakPolarHBondContact O-CG 3.16Å; R82-E86 PolarHBondContact O-N 3.36Å; E83-E86 PolarHBondContact O-N 3.29Å; E86-E89 WeakPolarHBondContact O-CB 3.38Å; E86-E89 PolarHBondContact O-N 3.35Å; E86-T90 PolarHBondContact O-N 3.28Å; E86-T90 PolarHBondContact O-OG1 2.82Å
87K98Very high95.2Very high113 Ų11369.1 Ų69.149%0.49134%0.339SS..Hα-helixtrans-60.7-48.3170.1-179-175.7171.3-169.50111.6E83 Y84 R85 E89 T90 E91E83-K87 PolarHBondContact O-N 3.27Å; Y84-K87 HydrophobicContact CD2-CB 4.48Å; Y84-K87 HydrophobicContact CD2-CD 4.19Å; Y84-K87 HydrophobicContact CE2-CD 4.31Å; Y84-K87 PolarHBondContact O-N 3.02Å; R85-K87 VanDerWaalsContact C-N 3.28Å; R85-K87 PolarHBondContact O-N 3.19Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 3.22Å; K87-T90 WeakPolarHBondContact O-CB 3.41Å; K87-T90 PolarHBondContact O-N 2.83Å; K87-E91 WeakPolarHBondContact CE-OE1 3.4Å; K87-E91 IonicContact NZ-OE1 3.99Å; K87-E91 WeakPolarHBondContact O-CG 3.42Å; K87-E91 PolarHBondContact O-N 3.14Å
88V98.2Very high96.1Very high3 Ų364.6 Ų64.62%0.01832%0.323CS..Hα-helixtrans-63.1-37.6177.6169.80000111.3Q55 A58 W59 L62 Y84 R85 T90 E91 L92Q55-V88 VanDerWaalsContact O-CG1 3.32Å; Q55-V88 WeakPolarHBondContact O-CG1 3.47Å; A58-V88 HydrophobicContact CB-CG1 4.13Å; A58-V88 HydrophobicContact CB-CG2 4.41Å; W59-V88 HydrophobicContact CB-CG1 3.81Å; L62-V88 HydrophobicContact CD1-CB 4.33Å; L62-V88 HydrophobicContact CD1-CG2 3.74Å; Y84-V88 HydrophobicContact CE2-CG2 4.43Å; Y84-V88 PolarHBondContact O-N 3.03Å; Y84-V88 VanDerWaalsContact O-N 3.17Å; R85-V88 WeakPolarHBondContact O-CB 3.34Å; R85-V88 PolarHBondContact O-N 3.26Å; V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 2.99Å; V88-E91 PolarHBondContact O-N 3.12Å; V88-L92 WeakPolarHBondContact O-CB 3.5Å; V88-L92 PolarHBondContact O-N 2.95Å
89E97.6Very high96.8Very high32 Ų3264.6 Ų64.615%0.1532%0.322CS..Hα-helixtrans-59.9-44.8173.2-70.3176.8168.500111.9W59 R85 E86 K87 E91 L92 Q93 V134W59-E89 PolarHBondContact NE1-OE1 3.34Å; R85-E89 IonicContact CZ-OE1 3.74Å; R85-E89 IonicContact NH1-OE1 2.62Å; R85-E89 PolarHBondContact NH1-OE1 2.9Å; R85-E89 IonicContact NH1-OE2 3.16Å; R85-E89 PolarHBondContact NH1-OE2 3.39Å; R85-E89 VanDerWaalsContact NH1-OE2 3.16Å; R85-E89 WeakPolarHBondContact O-CG 3.46Å; R85-E89 PolarHBondContact O-N 3.09Å; E86-E89 WeakPolarHBondContact O-CB 3.38Å; E86-E89 PolarHBondContact O-N 3.35Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 3.22Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 3.14Å; E89-L92 PolarHBondContact O-N 3.03Å; E89-Q93 WeakPolarHBondContact O-CB 3.3Å; E89-Q93 PolarHBondContact O-N 3.47Å; E89-V134 HydrophobicContact CG-CB 4.23Å
90T97.8Very high97.2Very high96 Ų9661.2 Ų61.259%0.58930%0.299SS*.Hα-helixtrans-62.7-41.8178.1-57.10000111.3E86 K87 V88 Q93 G94E86-T90 PolarHBondContact O-N 3.28Å; E86-T90 PolarHBondContact O-OG1 2.82Å; K87-T90 WeakPolarHBondContact O-CB 3.41Å; K87-T90 PolarHBondContact O-N 2.83Å; V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 2.99Å; T90-Q93 PolarHBondContact O-N 2.86Å; T90-G94 PolarHBondContact O-N 3.25Å
91E98.1Very high97.5Very high77 Ų7756 Ų5636%0.3628%0.284SS..Hα-helixtrans-65.4-45.1176.2-70.2177-171.800111.7Q55 K87 V88 E89 Q93 G94 V95Q55-E91 PolarHBondContact NE2-OE2 3.47Å; Q55-E91 PolarHBondContact OE1-OE2 3.28Å; K87-E91 WeakPolarHBondContact CE-OE1 3.4Å; K87-E91 IonicContact NZ-OE1 3.99Å; K87-E91 WeakPolarHBondContact O-CG 3.42Å; K87-E91 PolarHBondContact O-N 3.14Å; V88-E91 PolarHBondContact O-N 3.12Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 3.14Å; E91-Q93 VanDerWaalsContact C-N 3.35Å; E91-Q93 PolarHBondContact O-N 2.9Å; E91-G94 PolarHBondContact O-N 3.01Å; E91-V95 WeakPolarHBondContact O-CG2 3.42Å; E91-V95 PolarHBondContact O-N 3.01Å; E91-V95 VanDerWaalsContact O-N 3.08Å
92L98.2Very high97.7Very high0 Ų055.1 Ų55.10%028%0.278CS..Hα-helixtrans-58.9-46.6174.8-176.6157.7000111.2V52 Q55 R56 V88 E89 V95 C96 L131 V134V52-L92 HydrophobicContact CG2-CG 4.28Å; Q55-L92 HydrophobicContact CB-CB 4.09Å; Q55-L92 HydrophobicContact CB-CD1 4.46Å; Q55-L92 HydrophobicContact CB-CG 4.48Å; R56-L92 HydrophobicContact CB-CD1 4.46Å; R56-L92 HydrophobicContact CG-CD1 3.49Å; R56-L92 VanDerWaalsContact CG-CD1 3.49Å; V88-L92 WeakPolarHBondContact O-CB 3.5Å; V88-L92 PolarHBondContact O-N 2.95Å; E89-L92 PolarHBondContact O-N 3.03Å; L92-V95 PolarHBondContact O-N 3.24Å; L92-C96 PolarHBondContact O-N 3Å; L92-C96 PolarHBondContact O-SG 3.35Å; L92-L131 HydrophobicContact CD2-CD2 4.29Å; L92-V134 HydrophobicContact CD1-CG1 3.92Å; L92-V134 HydrophobicContact CD2-CG2 4Å
93Q97.8Very high97.9Very high100 Ų10050 Ų5047%0.46726%0.259SS..Hα-helixtrans-60.4-46.4178.2-179.3169.715.700111E89 T90 E91 V95 C96 D97 L131E89-Q93 WeakPolarHBondContact O-CB 3.3Å; E89-Q93 PolarHBondContact O-N 3.47Å; T90-Q93 PolarHBondContact O-N 2.86Å; E91-Q93 VanDerWaalsContact C-N 3.35Å; E91-Q93 PolarHBondContact O-N 2.9Å; Q93-V95 VanDerWaalsContact C-N 3.29Å; Q93-V95 PolarHBondContact O-N 3.34Å; Q93-C96 PolarHBondContact O-N 3.02Å; Q93-C96 VanDerWaalsContact O-N 3.1Å; Q93-D97 WeakPolarHBondContact CG-OD2 3.27Å; Q93-D97 WeakPolarHBondContact O-CB 3.02Å; Q93-D97 VanDerWaalsContact O-CG 3.32Å; Q93-D97 PolarHBondContact O-N 3.42Å; Q93-L131 HydrophobicContact CB-CD2 4.12Å; Q93-L131 HydrophobicContact CG-CD2 3.99Å
94G98.1Very high98Very high36 Ų3645.8 Ų45.837%0.37124%0.241SC..Hα-helixtrans-59.8-36.9177.400000113.7T90 E91 T98T90-G94 PolarHBondContact O-N 3.25Å; E91-G94 PolarHBondContact O-N 3.01Å; G94-T98 WeakPolarHBondContact O-CB 3.36Å; G94-T98 PolarHBondContact O-N 2.97Å; G94-T98 VanDerWaalsContact O-N 3.1Å; G94-T98 PolarHBondContact O-OG1 3.14Å
95V98.4Very high97.9Very high23 Ų2342.5 Ų42.514%0.13924%0.237CC..Hα-helixtrans-66.3-46.4173.6175.10000110.6Y48 V51 V52 E91 L92 Q93 T98 V99 Y127Y48-V95 HydrophobicContact CD1-CG1 4.06Å; V51-V95 HydrophobicContact CG1-CG1 4.16Å; V51-V95 HydrophobicContact CG1-CG2 3.72Å; V52-V95 HydrophobicContact CB-CG1 4.09Å; V52-V95 HydrophobicContact CG2-CG1 4.47Å; E91-V95 WeakPolarHBondContact O-CG2 3.42Å; E91-V95 PolarHBondContact O-N 3.01Å; E91-V95 VanDerWaalsContact O-N 3.08Å; L92-V95 PolarHBondContact O-N 3.24Å; Q93-V95 VanDerWaalsContact C-N 3.29Å; Q93-V95 PolarHBondContact O-N 3.34Å; V95-T98 PolarHBondContact O-N 2.94Å; V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 3.03Å; V95-V99 VanDerWaalsContact O-N 3.08Å; V95-Y127 HydrophobicContact CG1-CE1 4.44Å
96C98.5Very high97.9Very high0 Ų043.6 Ų43.60%024%0.244CC..Hα-helixtrans-63.4-46.5179.2-63.60000112.2L92 Q93 T98 V99 L100 Y127 L131L92-C96 PolarHBondContact O-N 3Å; L92-C96 PolarHBondContact O-SG 3.35Å; Q93-C96 PolarHBondContact O-N 3.02Å; Q93-C96 VanDerWaalsContact O-N 3.1Å; C96-T98 VanDerWaalsContact C-N 3.27Å; C96-T98 PolarHBondContact O-N 3.43Å; C96-V99 PolarHBondContact O-N 2.93Å; C96-V99 VanDerWaalsContact O-N 3.14Å; C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 VanDerWaalsContact O-CG 3.23Å; C96-L100 WeakPolarHBondContact O-CG 3.36Å; C96-L100 PolarHBondContact O-N 3.36Å; C96-Y127 HydrophobicContact CB-CD1 4.13Å; C96-L131 HydrophobicContact CB-CD1 3.88Å; C96-L131 HydrophobicContact CB-CD2 3.64Å; C96-L131 HydrophobicContact CB-CG 3.59Å
97D98.4Very high97.9Very high81 Ų8140 Ų4043%0.43323%0.227SC..Hα-helixtrans-61.7-37.3178.6-70.7-17000111.6Q93 G101Q93-D97 WeakPolarHBondContact CG-OD2 3.27Å; Q93-D97 WeakPolarHBondContact O-CB 3.02Å; Q93-D97 VanDerWaalsContact O-CG 3.32Å; Q93-D97 PolarHBondContact O-N 3.42Å; D97-G101 PolarHBondContact O-N 3.43Å
98T98.5Very high97.8Very high42 Ų4236.3 Ų36.326%0.25821%0.213SC..Hα-helixtrans-61.4-49.3173.6-64.80000111.2K27 Y48 G94 V95 C96 G101 L102K27-T98 HydrophobicContact CD-CG2 3.88Å; Y48-T98 HydrophobicContact CE1-CG2 4.13Å; Y48-T98 WeakPolarHBondContact OH-CG2 3.5Å; G94-T98 WeakPolarHBondContact O-CB 3.36Å; G94-T98 PolarHBondContact O-N 2.97Å; G94-T98 VanDerWaalsContact O-N 3.1Å; G94-T98 PolarHBondContact O-OG1 3.14Å; V95-T98 PolarHBondContact O-N 2.94Å; C96-T98 VanDerWaalsContact C-N 3.27Å; C96-T98 PolarHBondContact O-N 3.43Å; T98-G101 PolarHBondContact O-N 3.47Å; T98-L102 HydrophobicContact CG2-CD1 4.3Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 3.47Å
99V98.6Very high97.5Very high3 Ų343.1 Ų43.12%0.01824%0.242CC..Hα-helixtrans-65.6-47.1-179.1171.40000111.3Y48 V95 C96 G101 L102 L103 M123 Y127Y48-V99 HydrophobicContact CD1-CG2 3.28Å; Y48-V99 HydrophobicContact CD2-CG2 3.91Å; Y48-V99 HydrophobicContact CE1-CG2 3.63Å; Y48-V99 HydrophobicContact CE2-CG2 4.23Å; Y48-V99 HydrophobicContact CG-CG2 3.41Å; Y48-V99 VanDerWaalsContact CG-CG2 3.41Å; V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 3.03Å; V95-V99 VanDerWaalsContact O-N 3.08Å; C96-V99 PolarHBondContact O-N 2.93Å; C96-V99 VanDerWaalsContact O-N 3.14Å; V99-G101 VanDerWaalsContact C-N 3.29Å; V99-G101 PolarHBondContact O-N 2.88Å; V99-L102 PolarHBondContact O-N 2.89Å; V99-L102 VanDerWaalsContact O-N 3.15Å; V99-L103 HydrophobicContact CG1-CD1 3.65Å; V99-L103 HydrophobicContact CG1-CG 4.18Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.36Å; V99-L103 PolarHBondContact O-N 3.1Å; V99-M123 HydrophobicContact CG1-CE 3.81Å; V99-M123 HydrophobicContact CG1-CG 4.47Å; V99-Y127 HydrophobicContact CB-CD1 3.91Å; V99-Y127 HydrophobicContact CB-CD2 4.29Å; V99-Y127 HydrophobicContact CB-CE1 3.96Å; V99-Y127 HydrophobicContact CB-CE2 4.39Å; V99-Y127 HydrophobicContact CB-CG 4.07Å; V99-Y127 HydrophobicContact CG1-CD1 4.06Å; V99-Y127 HydrophobicContact CG1-CD2 3.53Å; V99-Y127 HydrophobicContact CG1-CE1 4.12Å; V99-Y127 HydrophobicContact CG1-CE2 3.65Å; V99-Y127 HydrophobicContact CG1-CG 3.77Å; V99-Y127 HydrophobicContact CG2-CD1 4.13Å; V99-Y127 HydrophobicContact CG2-CE1 3.67Å; V99-Y127 HydrophobicContact CG2-CE2 4.42Å
100L98.7Very high97Very high10 Ų1046.9 Ų46.95%0.05226%0.259CS..Hα-helixtrans-58.5-42.5177.2-69.1172000111.2C96 L102 L103 D104 K124 Y128 L131C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 VanDerWaalsContact O-CG 3.23Å; C96-L100 WeakPolarHBondContact O-CG 3.36Å; C96-L100 PolarHBondContact O-N 3.36Å; L100-L102 PolarHBondContact O-N 3.37Å; L100-L103 PolarHBondContact O-N 3.2Å; L100-D104 WeakPolarHBondContact O-CB 3.49Å; L100-D104 PolarHBondContact O-N 2.76Å; L100-K124 HydrophobicContact CD2-CG 3.79Å; L100-Y128 HydrophobicContact CD1-CD1 3.86Å; L100-Y128 HydrophobicContact CD1-CE1 3.56Å; L100-Y128 HydrophobicContact CD1-CE2 4.43Å; L100-Y128 HydrophobicContact CD1-CG 4.41Å; L100-Y128 HydrophobicContact CD2-CD1 4.48Å; L100-Y128 HydrophobicContact CD2-CD2 3.88Å; L100-Y128 HydrophobicContact CD2-CE1 4.31Å; L100-Y128 HydrophobicContact CD2-CE2 3.67Å; L100-Y128 HydrophobicContact CD2-CG 4.27Å; L100-L131 HydrophobicContact CD1-CD1 3.71Å
101G98.3Very high96.7Very high33 Ų3343 Ų4334%0.3424%0.237SC..Hα-helixtrans-60.9-42.7174.700000113.3D97 T98 V99 S105D97-G101 PolarHBondContact O-N 3.43Å; T98-G101 PolarHBondContact O-N 3.47Å; V99-G101 VanDerWaalsContact C-N 3.29Å; V99-G101 PolarHBondContact O-N 2.88Å; G101-S105 WeakPolarHBondContact O-CB 3.19Å; G101-S105 PolarHBondContact O-N 2.92Å; G101-S105 PolarHBondContact O-OG 3.27Å
102L98.2Very high96.4Very high7 Ų742.4 Ų42.44%0.03725%0.252CS..Hα-helixtrans-66.6-40.9176-69.7173.1000112.3K27 V30 E31 Y48 T98 V99 L100 H106 L107K27-L102 HydrophobicContact CB-CD1 4.26Å; K27-L102 HydrophobicContact CG-CD1 4.08Å; K27-L102 HydrophobicContact CG-CD2 4.18Å; V30-L102 HydrophobicContact CB-CD2 4.35Å; V30-L102 HydrophobicContact CG1-CB 4.46Å; V30-L102 HydrophobicContact CG1-CD2 3.95Å; E31-L102 HydrophobicContact CG-CD2 4.03Å; Y48-L102 HydrophobicContact CE2-CD1 4.19Å; T98-L102 HydrophobicContact CG2-CD1 4.3Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 3.47Å; V99-L102 PolarHBondContact O-N 2.89Å; V99-L102 VanDerWaalsContact O-N 3.15Å; L100-L102 PolarHBondContact O-N 3.37Å; L102-H106 WeakPolarHBondContact O-CB 3.01Å; L102-H106 PolarHBondContact O-N 3.07Å; L102-L107 HydrophobicContact CB-CD1 4.33Å; L102-L107 PolarHBondContact O-N 3.21Å
103L98.2Very high96.2Very high0 Ų045.3 Ų45.30%027%0.267CS..Iπ-helixtrans-60.8-49.2177.6-71.7166.7000110.9V99 L100 L107 I108 Y120 M123 K124V99-L103 HydrophobicContact CG1-CD1 3.65Å; V99-L103 HydrophobicContact CG1-CG 4.18Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.36Å; V99-L103 PolarHBondContact O-N 3.1Å; L100-L103 PolarHBondContact O-N 3.2Å; L103-L107 HydrophobicContact CD2-CB 4.24Å; L103-L107 HydrophobicContact CD2-CD1 3.82Å; L103-L107 HydrophobicContact CG-CD1 4.32Å; L103-L107 PolarHBondContact O-N 2.96Å; L103-I108 HydrophobicContact CB-CD1 3.98Å; L103-I108 HydrophobicContact CB-CG1 4.33Å; L103-I108 WeakPolarHBondContact O-CB 3.43Å; L103-I108 WeakPolarHBondContact O-CG1 3.36Å; L103-I108 PolarHBondContact O-N 2.97Å; L103-Y120 HydrophobicContact CD2-CD1 3.89Å; L103-Y120 HydrophobicContact CD2-CG 4.13Å; L103-M123 HydrophobicContact CD1-CB 4.32Å; L103-M123 HydrophobicContact CD1-CG 4.21Å; L103-M123 HydrophobicContact CD2-CB 4.33Å; L103-M123 HydrophobicContact CD2-CG 4.49Å; L103-M123 HydrophobicContact CD2-SD 4.21Å; L103-K124 HydrophobicContact CD1-CB 3.91Å
104D97.4Very high96.1Very high55 Ų5541.3 Ų41.329%0.29425%0.251SS..Iπ-helixtrans-77.1-28.9-176-73.4-13.9000113.7L100 K109 K124L100-D104 WeakPolarHBondContact O-CB 3.49Å; L100-D104 PolarHBondContact O-N 2.76Å; D104-K109 WeakPolarHBondContact O-CD 3.44Å; D104-K109 WeakPolarHBondContact O-CE 3.11Å; D104-K109 PolarHBondContact O-NZ 3.33Å; D104-K124 VanDerWaalsContact CG-NZ 3.31Å; D104-K124 WeakPolarHBondContact OD1-CE 3.11Å; D104-K124 IonicContact OD1-NZ 3.57Å; D104-K124 PolarHBondContact OD1-NZ 3.01Å; D104-K124 IonicContact OD2-NZ 3.19Å; D104-K124 PolarHBondContact OD2-NZ 3.42Å
105S96Very high96Very high63 Ų6343 Ų4344%0.44125%0.249SC..Iπ-helixtrans-91.1-29.8-176-55.20000113.3G101G101-S105 WeakPolarHBondContact O-CB 3.19Å; G101-S105 PolarHBondContact O-N 2.92Å; G101-S105 PolarHBondContact O-OG 3.27Å
106H95.7Very high95.9Very high54 Ų5442 Ų4225%0.2524%0.244CC..Iπ-helixtrans-129.9-58.5-172.1-57.3-76.5000112.1V30 L102 E110V30-H106 HydrophobicContact CG1-CB 3.6Å; L102-H106 WeakPolarHBondContact O-CB 3.01Å; L102-H106 PolarHBondContact O-N 3.07Å; H106-E110 VanDerWaalsContact O-CB 3.31Å; H106-E110 WeakPolarHBondContact O-CB 3.49Å; H106-E110 WeakPolarHBondContact O-CG 3.49Å; H106-E110 PolarHBondContact O-N 2.81Å; H106-E110 VanDerWaalsContact O-N 3.11Å
107L97.3Very high95.9Very high11 Ų1145.7 Ų45.76%0.05826%0.257CS..Iπ-helixtrans-75.7-46.6-160.4-58.7163.6000113.7V30 L36 L44 L102 L103 K109 A111 Y120V30-L107 HydrophobicContact CG1-CD1 4.44Å; V30-L107 HydrophobicContact CG1-CD2 3.8Å; V30-L107 HydrophobicContact CG1-CG 3.95Å; V30-L107 HydrophobicContact CG2-CD2 3.96Å; L36-L107 HydrophobicContact CD1-CD2 3.78Å; L36-L107 HydrophobicContact CG-CD2 3.99Å; L44-L107 HydrophobicContact CD2-CD1 3.42Å; L44-L107 VanDerWaalsContact CD2-CD1 3.42Å; L44-L107 HydrophobicContact CD2-CD2 4.3Å; L102-L107 HydrophobicContact CB-CD1 4.33Å; L102-L107 PolarHBondContact O-N 3.21Å; L103-L107 HydrophobicContact CD2-CB 4.24Å; L103-L107 HydrophobicContact CD2-CD1 3.82Å; L103-L107 HydrophobicContact CG-CD1 4.32Å; L103-L107 PolarHBondContact O-N 2.96Å; L107-K109 VanDerWaalsContact C-N 3.35Å; L107-A111 WeakPolarHBondContact O-CB 3.33Å; L107-A111 PolarHBondContact O-N 3.2Å; L107-Y120 HydrophobicContact CB-CD1 3.85Å; L107-Y120 HydrophobicContact CB-CD2 3.88Å; L107-Y120 HydrophobicContact CB-CE1 3.91Å; L107-Y120 HydrophobicContact CB-CE2 3.95Å; L107-Y120 HydrophobicContact CB-CG 3.86Å; L107-Y120 HydrophobicContact CD1-CD1 4.23Å; L107-Y120 HydrophobicContact CD1-CE1 4.16Å; L107-Y120 HydrophobicContact CD2-CE1 4.02Å; L107-Y120 HydrophobicContact CG-CD1 4.49Å; L107-Y120 HydrophobicContact CG-CE1 4.25Å; L107-Y120 VanDerWaalsContact O-CD2 3.29Å; L107-Y120 WeakPolarHBondContact O-CD2 3.5Å; L107-Y120 WeakPolarHBondContact O-CE2 3.25Å
108I96.3Very high95.9Very high37 Ų3741.8 Ų41.819%0.1924%0.237CC..THydrogen-bonded Turntrans-69.6-37.1-179.7-65.6171.1000110.5L103 L121 K124L103-I108 HydrophobicContact CB-CD1 3.98Å; L103-I108 HydrophobicContact CB-CG1 4.33Å; L103-I108 WeakPolarHBondContact O-CB 3.43Å; L103-I108 WeakPolarHBondContact O-CG1 3.36Å; L103-I108 PolarHBondContact O-N 2.97Å; I108-L121 HydrophobicContact CD1-CD2 4.07Å; I108-K124 HydrophobicContact CD1-CB 4.43Å; I108-K124 HydrophobicContact CD1-CD 3.8Å
109K90.9Very high95.8Very high145 Ų14541.1 Ų41.163%0.6323%0.23SC*.THydrogen-bonded Turntrans-67.6-39-179.3-73.7178.3177.1154.10112.9D104 L107D104-K109 WeakPolarHBondContact O-CD 3.44Å; D104-K109 WeakPolarHBondContact O-CE 3.11Å; D104-K109 PolarHBondContact O-NZ 3.33Å; L107-K109 VanDerWaalsContact C-N 3.35Å
110E88.6Confident95.8Very high111 Ų11141 Ų4152%0.51923%0.23SC..SBendtrans-93.40.9-176.4-58.5-58.9140.500113.2H106 G112H106-E110 VanDerWaalsContact O-CB 3.31Å; H106-E110 WeakPolarHBondContact O-CB 3.49Å; H106-E110 WeakPolarHBondContact O-CG 3.49Å; H106-E110 PolarHBondContact O-N 2.81Å; H106-E110 VanDerWaalsContact O-N 3.11Å; E110-G112 PolarHBondContact O-N 3.29Å; E110-G112 VanDerWaalsContact O-N 3.1Å
111A91.5Very high95.8Very high14 Ų1440.8 Ų40.812%0.11623%0.228CC..  trans-69.8107.1-179.400000111.3L107 R117 Y120L107-A111 WeakPolarHBondContact O-CB 3.33Å; L107-A111 PolarHBondContact O-N 3.2Å; A111-R117 HydrophobicContact CB-CB 4.4Å; A111-R117 HydrophobicContact CB-CG 3.53Å; A111-Y120 HydrophobicContact CB-CD2 3.96Å; A111-Y120 HydrophobicContact CB-CE2 4.09Å
112G90.3Very high95.9Very high65 Ų6541 Ų4167%0.6722%0.22SC*.  trans-78.1-23.4-174.900000114.4E35 E110E35-G112 PolarHBondContact OE1-N 3.49Å; E110-G112 PolarHBondContact O-N 3.29Å; E110-G112 VanDerWaalsContact O-N 3.1Å
113D94.4Very high95.9Very high62 Ų6241 Ų4133%0.33222%0.219SC..SBendtrans-121.7165.9-174.974.880.4000113.5E115 S116 R117D113-E115 VanDerWaalsContact OD1-CA 3.31Å; D113-E115 WeakPolarHBondContact OD1-CA 3.47Å; D113-E115 VanDerWaalsContact OD1-CB 3.26Å; D113-E115 WeakPolarHBondContact OD1-CB 3.26Å; D113-E115 PolarHBondContact OD1-N 3.22Å; D113-S116 PolarHBondContact OD1-N 2.93Å; D113-S116 PolarHBondContact OD1-OG 3.03Å; D113-S116 VanDerWaalsContact OD2-CB 3.3Å; D113-S116 WeakPolarHBondContact OD2-CB 3.48Å; D113-S116 PolarHBondContact OD2-OG 3.06Å; D113-R117 VanDerWaalsContact O-CG 3.32Å; D113-R117 WeakPolarHBondContact O-CG 3.39Å; D113-R117 PolarHBondContact O-N 2.98Å; D113-R117 VanDerWaalsContact O-N 3.15Å; D113-R117 PolarHBondContact O-NE 2.92Å
114A95.5Very high95.9Very high15 Ų1542.8 Ų42.812%0.12423%0.228CC..Hα-helixtrans-65.2-39.2-179.400000113.3R117 V118 I157 E161A114-R117 PolarHBondContact O-N 3.15Å; A114-V118 WeakPolarHBondContact O-CB 3.33Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.48Å; A114-V118 PolarHBondContact O-N 3.4Å; A114-I157 HydrophobicContact CB-CG2 4.31Å; A114-E161 HydrophobicContact CB-CB 3.83Å; A114-E161 VanDerWaalsContact CB-OE2 3.32Å; A114-E161 WeakPolarHBondContact CB-OE2 3.31Å
115E95.8Very high96Very high72 Ų7240.2 Ų40.234%0.33621%0.214SC..Hα-helixtrans-66.2-44.2-178.3-59.4-162.5135.300110.9D113 V118 F119 M162 N166 I168D113-E115 VanDerWaalsContact OD1-CA 3.31Å; D113-E115 WeakPolarHBondContact OD1-CA 3.47Å; D113-E115 VanDerWaalsContact OD1-CB 3.26Å; D113-E115 WeakPolarHBondContact OD1-CB 3.26Å; D113-E115 PolarHBondContact OD1-N 3.22Å; E115-V118 PolarHBondContact O-N 3.09Å; E115-F119 WeakPolarHBondContact O-CB 3.49Å; E115-F119 PolarHBondContact O-N 3.39Å; E115-M162 HydrophobicContact CG-CE 4.07Å; E115-N166 PolarHBondContact OE1-ND2 3.49Å; E115-I168 HydrophobicContact CB-CD1 3.91Å; E115-I168 HydrophobicContact CG-CD1 4.48Å
116S96.8Very high96.1Very high3 Ų337.6 Ų37.62%0.02120%0.195CC..Hα-helixtrans-62.9-45.4176.2-65.80000111.6R41 D113 V118 F119 Y120R41-S116 PolarHBondContact NH1-OG 3.47Å; D113-S116 PolarHBondContact OD1-N 2.93Å; D113-S116 PolarHBondContact OD1-OG 3.03Å; D113-S116 VanDerWaalsContact OD2-CB 3.3Å; D113-S116 WeakPolarHBondContact OD2-CB 3.48Å; D113-S116 PolarHBondContact OD2-OG 3.06Å; S116-V118 PolarHBondContact O-N 3.01Å; S116-F119 PolarHBondContact O-N 3.24Å; S116-Y120 WeakPolarHBondContact O-CD2 3.3Å; S116-Y120 PolarHBondContact O-N 2.81Å
117R97.7Very high96.3Very high76 Ų7635.3 Ų35.329%0.28718%0.184SC..Hα-helixtrans-58.8-50175.4-73.3-179.7-63.91585.2111.9A111 D113 A114 F119 Y120 L121 I157 E161A111-R117 HydrophobicContact CB-CB 4.4Å; A111-R117 HydrophobicContact CB-CG 3.53Å; D113-R117 VanDerWaalsContact O-CG 3.32Å; D113-R117 WeakPolarHBondContact O-CG 3.39Å; D113-R117 PolarHBondContact O-N 2.98Å; D113-R117 VanDerWaalsContact O-N 3.15Å; D113-R117 PolarHBondContact O-NE 2.92Å; A114-R117 PolarHBondContact O-N 3.15Å; R117-F119 VanDerWaalsContact C-N 3.34Å; R117-F119 PolarHBondContact O-N 3.2Å; R117-Y120 PolarHBondContact O-N 3.46Å; R117-L121 WeakPolarHBondContact O-CB 3.33Å; R117-L121 WeakPolarHBondContact O-CG 3.42Å; R117-L121 PolarHBondContact O-N 3.43Å; R117-I157 HydrophobicContact CB-CD1 4.48Å; R117-E161 IonicContact NH2-OE1 3.85Å; R117-E161 PolarHBondContact NH2-OE1 2.88Å; R117-E161 IonicContact NH2-OE2 3.73Å; R117-E161 PolarHBondContact NH2-OE2 3.47Å; R117-E161 VanDerWaalsContact NH2-OE2 3.09Å
118V98.5Very high96.3Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-63.7-41179.4172.70000111.1A114 E115 S116 K122 A154 I157 M162 I168 L172A114-V118 WeakPolarHBondContact O-CB 3.33Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.48Å; A114-V118 PolarHBondContact O-N 3.4Å; E115-V118 PolarHBondContact O-N 3.09Å; S116-V118 PolarHBondContact O-N 3.01Å; V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 2.99Å; V118-A154 HydrophobicContact CG1-CB 4.38Å; V118-I157 HydrophobicContact CG2-CB 3.83Å; V118-I157 HydrophobicContact CG2-CG2 3.61Å; V118-M162 HydrophobicContact CB-SD 3.99Å; V118-M162 HydrophobicContact CG1-SD 4.07Å; V118-M162 HydrophobicContact CG2-SD 3.76Å; V118-I168 HydrophobicContact CB-CG2 4.31Å; V118-I168 HydrophobicContact CG1-CG2 3.76Å; V118-L172 HydrophobicContact CG1-CD2 3.97Å
119F98.2Very high96.4Very high27 Ų2736 Ų3612%0.11818%0.184CC..Hα-helixtrans-59.3-48.6177-174.2-78.7000111.6R41 E115 S116 R117 M123 I168R41-F119 VanDerWaalsContact CD-CD1 3.44Å; R41-F119 HydrophobicContact CG-CD1 3.53Å; R41-F119 HydrophobicContact CG-CD2 4.43Å; R41-F119 HydrophobicContact CG-CE1 3.33Å; R41-F119 HydrophobicContact CG-CE2 4.24Å; R41-F119 HydrophobicContact CG-CG 4.09Å; R41-F119 HydrophobicContact CG-CZ 3.7Å; E115-F119 WeakPolarHBondContact O-CB 3.49Å; E115-F119 PolarHBondContact O-N 3.39Å; S116-F119 PolarHBondContact O-N 3.24Å; R117-F119 VanDerWaalsContact C-N 3.34Å; R117-F119 PolarHBondContact O-N 3.2Å; F119-M123 HydrophobicContact CE1-SD 4.45Å; F119-M123 WeakPolarHBondContact O-CB 3.19Å; F119-M123 PolarHBondContact O-N 3.24Å; F119-I168 HydrophobicContact CB-CG2 4.42Å; F119-I168 HydrophobicContact CD2-CD1 4.48Å
120Y98.5Very high96.8Very high2 Ų230 Ų301%0.00816%0.157CC..Hα-helixtrans-72.1-38.2-178.5-62.7-44.7000112.8R41 L103 L107 A111 S116 R117 M123 K124R41-Y120 HydrophobicContact CG-CE1 3.74Å; L103-Y120 HydrophobicContact CD2-CD1 3.89Å; L103-Y120 HydrophobicContact CD2-CG 4.13Å; L107-Y120 HydrophobicContact CB-CD1 3.85Å; L107-Y120 HydrophobicContact CB-CD2 3.88Å; L107-Y120 HydrophobicContact CB-CE1 3.91Å; L107-Y120 HydrophobicContact CB-CE2 3.95Å; L107-Y120 HydrophobicContact CB-CG 3.86Å; L107-Y120 HydrophobicContact CD1-CD1 4.23Å; L107-Y120 HydrophobicContact CD1-CE1 4.16Å; L107-Y120 HydrophobicContact CD2-CE1 4.02Å; L107-Y120 HydrophobicContact CG-CD1 4.49Å; L107-Y120 HydrophobicContact CG-CE1 4.25Å; L107-Y120 VanDerWaalsContact O-CD2 3.29Å; L107-Y120 WeakPolarHBondContact O-CD2 3.5Å; L107-Y120 WeakPolarHBondContact O-CE2 3.25Å; A111-Y120 HydrophobicContact CB-CD2 3.96Å; A111-Y120 HydrophobicContact CB-CE2 4.09Å; S116-Y120 WeakPolarHBondContact O-CD2 3.3Å; S116-Y120 PolarHBondContact O-N 2.81Å; R117-Y120 PolarHBondContact O-N 3.46Å; Y120-M123 WeakPolarHBondContact O-CB 3.37Å; Y120-M123 PolarHBondContact O-N 2.93Å; Y120-K124 WeakPolarHBondContact O-CB 3.39Å; Y120-K124 PolarHBondContact O-N 2.92Å
121L98.7Very high97.2Very high4 Ų425.3 Ų25.32%0.02114%0.136CC..Hα-helixtrans-67-41175-73.7166.6000111.9I108 R117 M123 K124 G125 E153 A154 I157I108-L121 HydrophobicContact CD1-CD2 4.07Å; R117-L121 WeakPolarHBondContact O-CB 3.33Å; R117-L121 WeakPolarHBondContact O-CG 3.42Å; R117-L121 PolarHBondContact O-N 3.43Å; L121-M123 VanDerWaalsContact C-N 3.31Å; L121-M123 PolarHBondContact O-N 3.47Å; L121-K124 WeakPolarHBondContact O-CB 3.27Å; L121-K124 PolarHBondContact O-N 2.98Å; L121-G125 PolarHBondContact O-N 3.01Å; L121-E153 HydrophobicContact CD1-CB 4.26Å; L121-E153 HydrophobicContact CD1-CG 3.8Å; L121-E153 HydrophobicContact CD2-CB 4.5Å; L121-E153 HydrophobicContact CD2-CG 4.36Å; L121-A154 HydrophobicContact CB-CB 3.69Å; L121-I157 HydrophobicContact CD1-CD1 3.72Å
122K98.6Very high97.5Very high37 Ų3724.7 Ų24.716%0.16113%0.13CC..Hα-helixtrans-56.3-48.5170.1177.8-168.6170.8-67.40110.6V118 K124 G125 D126 Y151 G171 L172 N175V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 2.99Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.84Å; K122-G125 PolarHBondContact O-N 3.45Å; K122-D126 IonicContact NZ-OD2 2.81Å; K122-D126 PolarHBondContact NZ-OD2 2.59Å; K122-D126 VanDerWaalsContact O-CG 3.31Å; K122-D126 PolarHBondContact O-N 3.27Å; K122-Y151 HydrophobicContact CG-CE1 4.49Å; K122-G171 WeakPolarHBondContact CE-O 3.37Å; K122-L172 HydrophobicContact CB-CB 4.49Å; K122-L172 HydrophobicContact CB-CD1 3.91Å; K122-L172 HydrophobicContact CD-CB 4.06Å; K122-L172 HydrophobicContact CG-CB 4.24Å; K122-L172 HydrophobicContact CG-CD1 3.96Å; K122-N175 WeakPolarHBondContact CE-ND2 3.23Å; K122-N175 PolarHBondContact NZ-ND2 2.87Å
123M98.6Very high97.8Very high7 Ų723.3 Ų23.33%0.03411%0.106CC..Hα-helixtrans-59.3-44.8177.3-167.2175.3-17700110.4V99 L103 F119 Y120 L121 G125 D126 Y127V99-M123 HydrophobicContact CG1-CE 3.81Å; V99-M123 HydrophobicContact CG1-CG 4.47Å; L103-M123 HydrophobicContact CD1-CB 4.32Å; L103-M123 HydrophobicContact CD1-CG 4.21Å; L103-M123 HydrophobicContact CD2-CB 4.33Å; L103-M123 HydrophobicContact CD2-CG 4.49Å; L103-M123 HydrophobicContact CD2-SD 4.21Å; F119-M123 HydrophobicContact CE1-SD 4.45Å; F119-M123 WeakPolarHBondContact O-CB 3.19Å; F119-M123 PolarHBondContact O-N 3.24Å; Y120-M123 WeakPolarHBondContact O-CB 3.37Å; Y120-M123 PolarHBondContact O-N 2.93Å; L121-M123 VanDerWaalsContact C-N 3.31Å; L121-M123 PolarHBondContact O-N 3.47Å; M123-G125 VanDerWaalsContact C-N 3.34Å; M123-G125 PolarHBondContact O-N 3.05Å; M123-D126 WeakPolarHBondContact O-CA 3.49Å; M123-D126 WeakPolarHBondContact O-CB 3.44Å; M123-D126 PolarHBondContact O-N 3.37Å; M123-Y127 HydrophobicContact CE-CE2 3.66Å; M123-Y127 HydrophobicContact CG-CD2 3.87Å; M123-Y127 HydrophobicContact CG-CE2 3.68Å; M123-Y127 VanDerWaalsContact O-CD2 3.27Å; M123-Y127 WeakPolarHBondContact O-CD2 3.24Å; M123-Y127 PolarHBondContact O-N 3.33Å
124K98.8Very high97.8Very high39 Ų3921 Ų2117%0.1710%0.095CC..Hα-helixtrans-55.9-46.7175.3-173171.7179.2169.80112.1L100 L103 D104 I108 Y120 L121 K122 D126 Y127 Y128 A150L100-K124 HydrophobicContact CD2-CG 3.79Å; L103-K124 HydrophobicContact CD1-CB 3.91Å; D104-K124 VanDerWaalsContact CG-NZ 3.31Å; D104-K124 WeakPolarHBondContact OD1-CE 3.11Å; D104-K124 IonicContact OD1-NZ 3.57Å; D104-K124 PolarHBondContact OD1-NZ 3.01Å; D104-K124 IonicContact OD2-NZ 3.19Å; D104-K124 PolarHBondContact OD2-NZ 3.42Å; I108-K124 HydrophobicContact CD1-CB 4.43Å; I108-K124 HydrophobicContact CD1-CD 3.8Å; Y120-K124 WeakPolarHBondContact O-CB 3.39Å; Y120-K124 PolarHBondContact O-N 2.92Å; L121-K124 WeakPolarHBondContact O-CB 3.27Å; L121-K124 PolarHBondContact O-N 2.98Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.84Å; K124-D126 VanDerWaalsContact C-N 3.34Å; K124-D126 PolarHBondContact O-N 3.15Å; K124-Y127 PolarHBondContact O-N 3.37Å; K124-Y128 HydrophobicContact CD-CE2 4.34Å; K124-Y128 HydrophobicContact CG-CD2 4Å; K124-Y128 HydrophobicContact CG-CE2 3.78Å; K124-Y128 WeakPolarHBondContact O-CD2 3.24Å; K124-Y128 PolarHBondContact O-N 3.28Å; K124-Y128 VanDerWaalsContact O-N 3.09Å; K124-A150 HydrophobicContact CB-CB 4.03Å; K124-A150 HydrophobicContact CD-CB 4.21Å; K124-A150 HydrophobicContact CG-CB 3.93Å
125G98.8Very high97.7Very high0 Ų021.1 Ų21.10%010%0.095CC..Hα-helixtrans-58-44.3173.300000112.6L121 K122 M123 Y127 Y128 R129L121-G125 PolarHBondContact O-N 3.01Å; K122-G125 PolarHBondContact O-N 3.45Å; M123-G125 VanDerWaalsContact C-N 3.34Å; M123-G125 PolarHBondContact O-N 3.05Å; G125-Y127 PolarHBondContact O-N 2.89Å; G125-Y128 PolarHBondContact O-N 2.77Å; G125-R129 VanDerWaalsContact O-CB 3.3Å; G125-R129 WeakPolarHBondContact O-CB 3.34Å; G125-R129 PolarHBondContact O-N 2.92Å
126D98.8Very high97.4Very high9 Ų923 Ų235%0.04811%0.112CC..Hα-helixtrans-59.9-44.6178.1-70.5-34.4000112.5K122 M123 K124 R129 Y130 Y151 N175K122-D126 IonicContact NZ-OD2 2.81Å; K122-D126 PolarHBondContact NZ-OD2 2.59Å; K122-D126 VanDerWaalsContact O-CG 3.31Å; K122-D126 PolarHBondContact O-N 3.27Å; M123-D126 WeakPolarHBondContact O-CA 3.49Å; M123-D126 WeakPolarHBondContact O-CB 3.44Å; M123-D126 PolarHBondContact O-N 3.37Å; K124-D126 VanDerWaalsContact C-N 3.34Å; K124-D126 PolarHBondContact O-N 3.15Å; D126-R129 WeakPolarHBondContact O-CB 3.49Å; D126-R129 PolarHBondContact O-N 2.98Å; D126-R129 IonicContact OD1-NH2 2.7Å; D126-Y130 HydrophobicContact CB-CE2 4.21Å; D126-Y130 WeakPolarHBondContact O-CD1 3.33Å; D126-Y130 WeakPolarHBondContact O-CD2 3.42Å; D126-Y130 WeakPolarHBondContact O-CE2 3.46Å; D126-Y130 PolarHBondContact O-N 3.17Å; D126-Y151 VanDerWaalsContact CA-OH 3.27Å; D126-Y151 WeakPolarHBondContact CA-OH 3.42Å; D126-Y151 PolarHBondContact N-OH 3.25Å; D126-Y151 PolarHBondContact OD1-OH 3.04Å; D126-N175 WeakPolarHBondContact OD1-CB 3.31Å; D126-N175 PolarHBondContact OD1-ND2 2.96Å; D126-N175 PolarHBondContact OD2-ND2 3.21Å
127Y98.7Very high97Very high6 Ų625.9 Ų25.92%0.02414%0.142CC..Hα-helixtrans-73.5-35.1-179.3-79-91.4000113Y48 K49 V52 V95 C96 V99 M123 K124 G125 R129 Y130 L131Y48-Y127 WeakPolarHBondContact CB-OH 3.45Å; Y48-Y127 PolarHBondContact O-OH 3.49Å; K49-Y127 PolarHBondContact N-OH 2.79Å; V52-Y127 HydrophobicContact CB-CE1 4.12Å; V52-Y127 HydrophobicContact CG1-CE1 4.01Å; V52-Y127 HydrophobicContact CG2-CE1 4.29Å; V95-Y127 HydrophobicContact CG1-CE1 4.44Å; C96-Y127 HydrophobicContact CB-CD1 4.13Å; V99-Y127 HydrophobicContact CB-CD1 3.91Å; V99-Y127 HydrophobicContact CB-CD2 4.29Å; V99-Y127 HydrophobicContact CB-CE1 3.96Å; V99-Y127 HydrophobicContact CB-CE2 4.39Å; V99-Y127 HydrophobicContact CB-CG 4.07Å; V99-Y127 HydrophobicContact CG1-CD1 4.06Å; V99-Y127 HydrophobicContact CG1-CD2 3.53Å; V99-Y127 HydrophobicContact CG1-CE1 4.12Å; V99-Y127 HydrophobicContact CG1-CE2 3.65Å; V99-Y127 HydrophobicContact CG1-CG 3.77Å; V99-Y127 HydrophobicContact CG2-CD1 4.13Å; V99-Y127 HydrophobicContact CG2-CE1 3.67Å; V99-Y127 HydrophobicContact CG2-CE2 4.42Å; M123-Y127 HydrophobicContact CE-CE2 3.66Å; M123-Y127 HydrophobicContact CG-CD2 3.87Å; M123-Y127 HydrophobicContact CG-CE2 3.68Å; M123-Y127 VanDerWaalsContact O-CD2 3.27Å; M123-Y127 WeakPolarHBondContact O-CD2 3.24Å; M123-Y127 PolarHBondContact O-N 3.33Å; K124-Y127 PolarHBondContact O-N 3.37Å; G125-Y127 PolarHBondContact O-N 2.89Å; Y127-R129 VanDerWaalsContact C-N 3.31Å; Y127-Y130 HydrophobicContact CD1-CD2 4.01Å; Y127-Y130 HydrophobicContact CD1-CE2 4.44Å; Y127-Y130 HydrophobicContact CD2-CE2 4.46Å; Y127-Y130 HydrophobicContact CE1-CD2 4.29Å; Y127-Y130 HydrophobicContact CE1-CE2 4.43Å; Y127-Y130 HydrophobicContact CE2-CE2 4.4Å; Y127-Y130 HydrophobicContact CG-CD2 4.21Å; Y127-Y130 HydrophobicContact CG-CE2 4.48Å; Y127-Y130 PolarHBondContact O-N 3.43Å; Y127-L131 WeakPolarHBondContact O-CG 3.42Å; Y127-L131 PolarHBondContact O-N 3.41Å
128Y98.7Very high96.3Very high43 Ų4329.9 Ų29.917%0.16917%0.169CC..Hα-helixtrans-65.7-35.5168.2-77.9-58.3000112.4L100 K124 G125 Y130 L131 A132 I143L100-Y128 HydrophobicContact CD1-CD1 3.86Å; L100-Y128 HydrophobicContact CD1-CE1 3.56Å; L100-Y128 HydrophobicContact CD1-CE2 4.43Å; L100-Y128 HydrophobicContact CD1-CG 4.41Å; L100-Y128 HydrophobicContact CD2-CD1 4.48Å; L100-Y128 HydrophobicContact CD2-CD2 3.88Å; L100-Y128 HydrophobicContact CD2-CE1 4.31Å; L100-Y128 HydrophobicContact CD2-CE2 3.67Å; L100-Y128 HydrophobicContact CD2-CG 4.27Å; K124-Y128 HydrophobicContact CD-CE2 4.34Å; K124-Y128 HydrophobicContact CG-CD2 4Å; K124-Y128 HydrophobicContact CG-CE2 3.78Å; K124-Y128 WeakPolarHBondContact O-CD2 3.24Å; K124-Y128 PolarHBondContact O-N 3.28Å; K124-Y128 VanDerWaalsContact O-N 3.09Å; G125-Y128 PolarHBondContact O-N 2.77Å; Y128-Y130 VanDerWaalsContact C-N 3.32Å; Y128-Y130 PolarHBondContact O-N 3.44Å; Y128-L131 HydrophobicContact CD1-CD1 4.12Å; Y128-L131 PolarHBondContact O-N 2.98Å; Y128-A132 WeakPolarHBondContact O-CB 3.49Å; Y128-A132 PolarHBondContact O-N 3.43Å; Y128-I143 HydrophobicContact CD1-CG2 4.18Å; Y128-I143 WeakPolarHBondContact O-CG2 3.38Å
129R98.3Very high95.9Very high18 Ų1834.1 Ų34.17%0.06819%0.192CC..Hα-helixtrans-61.3-41.5174.2-173.7178.262.1100.3-12.7111.5G125 D126 Y127 A132 E133 Y151 F179 E182 I183G125-R129 VanDerWaalsContact O-CB 3.3Å; G125-R129 WeakPolarHBondContact O-CB 3.34Å; G125-R129 PolarHBondContact O-N 2.92Å; D126-R129 WeakPolarHBondContact O-CB 3.49Å; D126-R129 PolarHBondContact O-N 2.98Å; D126-R129 IonicContact OD1-NH2 2.7Å; Y127-R129 VanDerWaalsContact C-N 3.31Å; R129-A132 PolarHBondContact O-N 3.16Å; R129-E133 PolarHBondContact O-N 3.46Å; R129-E133 VanDerWaalsContact O-N 3.12Å; R129-Y151 PolarHBondContact NE-OH 3.35Å; R129-F179 HydrophobicContact CB-CD2 4.42Å; R129-F179 HydrophobicContact CG-CB 4.46Å; R129-F179 HydrophobicContact CG-CD2 4.15Å; R129-E182 IonicContact NH1-OE2 3.1Å; R129-I183 HydrophobicContact CG-CG1 3.68Å
130Y98.4Very high95.7Very high21 Ų2136.7 Ų36.78%0.08220%0.203CC..Hα-helixtrans-65.1-39.7174.8-55-29.7000112.3V52 R56 D126 Y127 Y128 E133V52-Y130 HydrophobicContact CB-CD2 4.5Å; V52-Y130 HydrophobicContact CG1-CD2 3.88Å; V52-Y130 HydrophobicContact CG1-CE2 3.71Å; V52-Y130 HydrophobicContact CG2-CD2 3.82Å; V52-Y130 HydrophobicContact CG2-CG 4.35Å; R56-Y130 VanDerWaalsContact NE-CD1 3.34Å; D126-Y130 HydrophobicContact CB-CE2 4.21Å; D126-Y130 WeakPolarHBondContact O-CD1 3.33Å; D126-Y130 WeakPolarHBondContact O-CD2 3.42Å; D126-Y130 WeakPolarHBondContact O-CE2 3.46Å; D126-Y130 PolarHBondContact O-N 3.17Å; Y127-Y130 HydrophobicContact CD1-CD2 4.01Å; Y127-Y130 HydrophobicContact CD1-CE2 4.44Å; Y127-Y130 HydrophobicContact CD2-CE2 4.46Å; Y127-Y130 HydrophobicContact CE1-CD2 4.29Å; Y127-Y130 HydrophobicContact CE1-CE2 4.43Å; Y127-Y130 HydrophobicContact CE2-CE2 4.4Å; Y127-Y130 HydrophobicContact CG-CD2 4.21Å; Y127-Y130 HydrophobicContact CG-CE2 4.48Å; Y127-Y130 PolarHBondContact O-N 3.43Å; Y128-Y130 VanDerWaalsContact C-N 3.32Å; Y128-Y130 PolarHBondContact O-N 3.44Å; Y130-E133 WeakPolarHBondContact O-CB 3.48Å; Y130-E133 PolarHBondContact O-N 2.85Å
131L98Very high95.5Very high12 Ų1243.9 Ų43.96%0.06323%0.234CC..Hα-helixtrans-63.1-42171.9-72.5174.6000111.8L92 Q93 C96 L100 Y127 Y128 E133 V134 A135 I143L92-L131 HydrophobicContact CD2-CD2 4.29Å; Q93-L131 HydrophobicContact CB-CD2 4.12Å; Q93-L131 HydrophobicContact CG-CD2 3.99Å; C96-L131 HydrophobicContact CB-CD1 3.88Å; C96-L131 HydrophobicContact CB-CD2 3.64Å; C96-L131 HydrophobicContact CB-CG 3.59Å; L100-L131 HydrophobicContact CD1-CD1 3.71Å; Y127-L131 WeakPolarHBondContact O-CG 3.42Å; Y127-L131 PolarHBondContact O-N 3.41Å; Y128-L131 HydrophobicContact CD1-CD1 4.12Å; Y128-L131 PolarHBondContact O-N 2.98Å; L131-E133 PolarHBondContact O-N 3.19Å; L131-V134 WeakPolarHBondContact O-CG2 3.46Å; L131-V134 PolarHBondContact O-N 2.93Å; L131-A135 VanDerWaalsContact O-CB 3.24Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.15Å; L131-I143 HydrophobicContact CB-CD1 4.4Å; L131-I143 HydrophobicContact CB-CG2 3.67Å
132A97.3Very high95.3Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-64.9-30-178.700000112.9Y128 R129 V134 K140 I143 I144 I183Y128-A132 WeakPolarHBondContact O-CB 3.49Å; Y128-A132 PolarHBondContact O-N 3.43Å; R129-A132 PolarHBondContact O-N 3.16Å; A132-V134 VanDerWaalsContact C-N 3.33Å; A132-K140 WeakPolarHBondContact O-CE 3.36Å; A132-I143 HydrophobicContact CB-CG2 3.82Å; A132-I144 HydrophobicContact CB-CG1 3.95Å; A132-I183 HydrophobicContact CB-CG2 3.61Å
133E96.4Very high95.3Very high36 Ų3650.5 Ų50.517%0.16826%0.26CS..Hα-helixtrans-62-40.2176.3-178.7173.1-158.500112R56 W59 R60 R129 Y130 L131 I183R56-E133 IonicContact CZ-OE2 2.79Å; R56-E133 IonicContact NE-OE2 3.68Å; R56-E133 PolarHBondContact NE-OE2 3.01Å; R56-E133 IonicContact NH2-OE1 2.79Å; R56-E133 IonicContact NH2-OE2 3.69Å; R56-E133 PolarHBondContact NH2-OE2 3.08Å; W59-E133 HydrophobicContact CE3-CG 4.48Å; W59-E133 HydrophobicContact CH2-CG 4.43Å; W59-E133 WeakPolarHBondContact CH2-O 3.3Å; W59-E133 HydrophobicContact CZ3-CG 3.88Å; R60-E133 IonicContact CZ-OE1 3.35Å; R60-E133 IonicContact NE-OE1 2.8Å; R60-E133 PolarHBondContact NE-OE1 3.44Å; R60-E133 IonicContact NH2-OE1 3.71Å; R60-E133 PolarHBondContact NH2-OE1 3.17Å; R60-E133 IonicContact NH2-OE2 3.45Å; R129-E133 PolarHBondContact O-N 3.46Å; R129-E133 VanDerWaalsContact O-N 3.12Å; Y130-E133 WeakPolarHBondContact O-CB 3.48Å; Y130-E133 PolarHBondContact O-N 2.85Å; L131-E133 PolarHBondContact O-N 3.19Å; E133-I183 HydrophobicContact CB-CD1 4.25Å
134V95.2Very high95.3Very high14 Ų1451.4 Ų51.49%0.08526%0.264CS..Hα-helixtrans-98.7-14.4-177.8-53.20000113.6W59 E89 L92 L131 A132W59-V134 HydrophobicContact CD2-CG1 3.61Å; W59-V134 HydrophobicContact CE3-CG1 4.01Å; W59-V134 HydrophobicContact CG-CG1 3.95Å; W59-V134 HydrophobicContact CH2-CG1 4.34Å; W59-V134 HydrophobicContact CZ2-CB 4.19Å; W59-V134 HydrophobicContact CZ2-CG1 3.97Å; W59-V134 HydrophobicContact CZ3-CG1 4.36Å; E89-V134 HydrophobicContact CG-CB 4.23Å; L92-V134 HydrophobicContact CD1-CG1 3.92Å; L92-V134 HydrophobicContact CD2-CG2 4Å; L131-V134 WeakPolarHBondContact O-CG2 3.46Å; L131-V134 PolarHBondContact O-N 2.93Å; A132-V134 VanDerWaalsContact C-N 3.33Å
135A93.8Very high95.2Very high17 Ų1752.9 Ų52.914%0.1427%0.274CS..  trans-65.4140.4-177.300000112.5L131 K140 I143L131-A135 VanDerWaalsContact O-CB 3.24Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.15Å; A135-K140 HydrophobicContact CB-CB 4.05Å; A135-K140 HydrophobicContact CB-CG 4.21Å; A135-I143 HydrophobicContact CB-CD1 3.65Å
136T87.6Confident95.2Very high112 Ų11254.7 Ų54.769%0.68729%0.287SS*.  trans-123.5160.1173.760.80000110.6
137G88.8Confident95.2Very high63 Ų6354.3 Ų54.365%0.64929%0.285SS*.THydrogen-bonded Turntrans66.5-153.6176.300000115.1D139 K140G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 2.8Å; G137-K140 WeakPolarHBondContact O-CB 3.41Å; G137-K140 PolarHBondContact O-N 2.86Å
138D84.3Confident95.2Very high161 Ų16157.9 Ų57.986%0.86130%0.298SS*.THydrogen-bonded Turntrans-66.8-26-168.8-65.7-25.5000113.6K140D138-K140 VanDerWaalsContact C-N 3.27Å; D138-K140 PolarHBondContact O-N 3.35Å
139D88.7Confident95.2Very high88 Ų8859.4 Ų59.447%0.47132%0.315SS..Hα-helixtrans-69.1-25.8-179.2-78.4-26.8000113.1G137 K141 R142 I143G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 2.8Å; D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.23Å; D139-R142 VanDerWaalsContact CG-NH2 3.28Å; D139-R142 PolarHBondContact O-N 2.79Å; D139-R142 IonicContact OD1-CZ 2.75Å; D139-R142 IonicContact OD1-NE 3.13Å; D139-R142 IonicContact OD1-NH2 3.61Å; D139-R142 PolarHBondContact OD1-NH2 2.84Å; D139-R142 IonicContact OD2-NH2 3.2Å; D139-I143 HydrophobicContact CB-CD1 4.42Å; D139-I143 WeakPolarHBondContact O-CG1 3.41Å; D139-I143 PolarHBondContact O-N 2.87Å; D139-I143 VanDerWaalsContact O-N 3.09Å
140K93.8Very high95.2Very high81 Ų8158.7 Ų58.735%0.35231%0.313SS..Hα-helixtrans-56.8-44.4-176.9-174171.3-170.41590112.1A132 A135 G137 D138 R142 I143 I144A132-K140 WeakPolarHBondContact O-CE 3.36Å; A135-K140 HydrophobicContact CB-CB 4.05Å; A135-K140 HydrophobicContact CB-CG 4.21Å; G137-K140 WeakPolarHBondContact O-CB 3.41Å; G137-K140 PolarHBondContact O-N 2.86Å; D138-K140 VanDerWaalsContact C-N 3.27Å; D138-K140 PolarHBondContact O-N 3.35Å; K140-R142 PolarHBondContact O-N 3.19Å; K140-I143 PolarHBondContact O-N 3.45Å; K140-I144 HydrophobicContact CG-CD1 3.89Å; K140-I144 HydrophobicContact CG-CG1 4.41Å; K140-I144 VanDerWaalsContact O-CG1 3.27Å; K140-I144 WeakPolarHBondContact O-CG1 3.33Å; K140-I144 PolarHBondContact O-N 3.04Å
141K94.8Very high95.2Very high153 Ų15357.7 Ų57.767%0.66531%0.309SS*.Hα-helixtrans-61.5-45.3-179-176176.3178.9179.30111.9D139 I143 I144 D145D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.23Å; K141-I143 VanDerWaalsContact C-N 3.32Å; K141-I143 PolarHBondContact O-N 2.87Å; K141-I144 PolarHBondContact O-N 2.83Å; K141-D145 PolarHBondContact O-N 3.47Å
142R96Very high95.2Very high154 Ų15461.1 Ų61.158%0.58133%0.325SS*.Hα-helixtrans-61.9-39.8178.4176.217756.6145.7-1.9111.9D139 K140 S146D139-R142 VanDerWaalsContact CG-NH2 3.28Å; D139-R142 PolarHBondContact O-N 2.79Å; D139-R142 IonicContact OD1-CZ 2.75Å; D139-R142 IonicContact OD1-NE 3.13Å; D139-R142 IonicContact OD1-NH2 3.61Å; D139-R142 PolarHBondContact OD1-NH2 2.84Å; D139-R142 IonicContact OD2-NH2 3.2Å; K140-R142 PolarHBondContact O-N 3.19Å; R142-S146 WeakPolarHBondContact O-CB 3.43Å; R142-S146 PolarHBondContact O-N 3.31Å; R142-S146 PolarHBondContact O-OG 3.18Å
143I97.7Very high95.3Very high27 Ų2765.6 Ų65.614%0.13835%0.346CS..Hα-helixtrans-66.4-44.4177.1-64.4165.4000110.5Y128 L131 A132 A135 D139 K140 K141 D145 S146 A147Y128-I143 HydrophobicContact CD1-CG2 4.18Å; Y128-I143 WeakPolarHBondContact O-CG2 3.38Å; L131-I143 HydrophobicContact CB-CD1 4.4Å; L131-I143 HydrophobicContact CB-CG2 3.67Å; A132-I143 HydrophobicContact CB-CG2 3.82Å; A135-I143 HydrophobicContact CB-CD1 3.65Å; D139-I143 HydrophobicContact CB-CD1 4.42Å; D139-I143 WeakPolarHBondContact O-CG1 3.41Å; D139-I143 PolarHBondContact O-N 2.87Å; D139-I143 VanDerWaalsContact O-N 3.09Å; K140-I143 PolarHBondContact O-N 3.45Å; K141-I143 VanDerWaalsContact C-N 3.32Å; K141-I143 PolarHBondContact O-N 2.87Å; I143-D145 PolarHBondContact O-N 3.1Å; I143-S146 WeakPolarHBondContact O-CB 3.01Å; I143-S146 PolarHBondContact O-N 3.42Å; I143-A147 PolarHBondContact O-N 3.41Å
144I97.7Very high95.4Very high25 Ų2563.9 Ų63.913%0.12834%0.338CS..Hα-helixtrans-59.6-46.5175.9-68.8173.5000111A132 K140 K141 S146 A147 R148 F179 I183A132-I144 HydrophobicContact CB-CG1 3.95Å; K140-I144 HydrophobicContact CG-CD1 3.89Å; K140-I144 HydrophobicContact CG-CG1 4.41Å; K140-I144 VanDerWaalsContact O-CG1 3.27Å; K140-I144 WeakPolarHBondContact O-CG1 3.33Å; K140-I144 PolarHBondContact O-N 3.04Å; K141-I144 PolarHBondContact O-N 2.83Å; I144-S146 VanDerWaalsContact C-N 3.28Å; I144-S146 PolarHBondContact O-N 3.43Å; I144-A147 PolarHBondContact O-N 3.41Å; I144-R148 WeakPolarHBondContact O-CB 3.47Å; I144-R148 PolarHBondContact O-N 3.18Å; I144-F179 HydrophobicContact CG2-CE2 4.2Å; I144-F179 HydrophobicContact CG2-CZ 3.84Å; I144-I183 HydrophobicContact CD1-CG2 4.15Å; I144-I183 HydrophobicContact CG1-CG2 3.74Å
145D97.6Very high95.6Very high71 Ų7163.5 Ų63.538%0.3834%0.335SS..Hα-helixtrans-63.9-35.9178.6-70.3-24.7000111.6K141 I143 R148 S149K141-D145 PolarHBondContact O-N 3.47Å; I143-D145 PolarHBondContact O-N 3.1Å; D145-R148 PolarHBondContact O-N 3.07Å; D145-R148 IonicContact OD1-NH1 2.88Å; D145-R148 PolarHBondContact OD1-NH1 3.33Å; D145-R148 VanDerWaalsContact OD1-NH1 3.13Å; D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.93Å
146S98.4Very high95.8Very high38 Ų3867.1 Ų67.127%0.26635%0.352SS..Hα-helixtrans-67.6-42.4175.5-56.60000112.2R142 I143 I144 S149 A150R142-S146 WeakPolarHBondContact O-CB 3.43Å; R142-S146 PolarHBondContact O-N 3.31Å; R142-S146 PolarHBondContact O-OG 3.18Å; I143-S146 WeakPolarHBondContact O-CB 3.01Å; I143-S146 PolarHBondContact O-N 3.42Å; I144-S146 VanDerWaalsContact C-N 3.28Å; I144-S146 PolarHBondContact O-N 3.43Å; S146-S149 PolarHBondContact O-N 3.4Å; S146-A150 PolarHBondContact O-N 3.16Å; S146-A150 VanDerWaalsContact O-N 3.09Å
147A98.6Very high96.3Very high0 Ų063 Ų630%033%0.326CS..Hα-helixtrans-59.5-50.1173.100000111I143 I144 S149 A150 Y151 F179I143-A147 PolarHBondContact O-N 3.41Å; I144-A147 PolarHBondContact O-N 3.41Å; A147-S149 VanDerWaalsContact C-N 3.34Å; A147-S149 PolarHBondContact O-N 3.37Å; A147-A150 PolarHBondContact O-N 2.99Å; A147-Y151 WeakPolarHBondContact O-CD2 3.33Å; A147-Y151 PolarHBondContact O-N 3.3Å; A147-F179 HydrophobicContact CB-CD2 3.96Å; A147-F179 HydrophobicContact CB-CE2 3.49Å; A147-F179 VanDerWaalsContact CB-CE2 3.49Å; A147-F179 HydrophobicContact CB-CZ 4.12Å
148R98.6Very high96.7Very high82 Ų8260 Ų6031%0.30930%0.295SS..Hα-helixtrans-58.4-45.8179-174.2-178-71.3125.6-5.6111.4I144 D145 A150 Y151 Q152 F176 F179I144-R148 WeakPolarHBondContact O-CB 3.47Å; I144-R148 PolarHBondContact O-N 3.18Å; D145-R148 PolarHBondContact O-N 3.07Å; D145-R148 IonicContact OD1-NH1 2.88Å; D145-R148 PolarHBondContact OD1-NH1 3.33Å; D145-R148 VanDerWaalsContact OD1-NH1 3.13Å; R148-A150 PolarHBondContact O-N 3.45Å; R148-Y151 PolarHBondContact O-N 2.9Å; R148-Q152 VanDerWaalsContact O-CB 3.31Å; R148-Q152 WeakPolarHBondContact O-CB 3.37Å; R148-Q152 PolarHBondContact O-N 3.15Å; R148-F176 HydrophobicContact CG-CZ 4.48Å; R148-F179 HydrophobicContact CB-CE1 3.91Å; R148-F179 HydrophobicContact CB-CZ 3.89Å; R148-F179 HydrophobicContact CG-CE1 4.33Å
149S98.6Very high97.4Very high75 Ų7557.6 Ų57.652%0.52428%0.277SS..Hα-helixtrans-59.9-46.5179-171.80000111.8D145 S146 A147 Q152 E153D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.93Å; S146-S149 PolarHBondContact O-N 3.4Å; A147-S149 VanDerWaalsContact C-N 3.34Å; A147-S149 PolarHBondContact O-N 3.37Å; S149-Q152 PolarHBondContact O-N 3.27Å; S149-E153 WeakPolarHBondContact O-CB 3.29Å; S149-E153 PolarHBondContact O-N 2.96Å
150A98.8Very high97.8Very high3 Ų361.7 Ų61.73%0.02529%0.29CS..Hα-helixtrans-64.9-43-179.500000112.1K124 S146 A147 R148 A154K124-A150 HydrophobicContact CB-CB 4.03Å; K124-A150 HydrophobicContact CD-CB 4.21Å; K124-A150 HydrophobicContact CG-CB 3.93Å; S146-A150 PolarHBondContact O-N 3.16Å; S146-A150 VanDerWaalsContact O-N 3.09Å; A147-A150 PolarHBondContact O-N 2.99Å; R148-A150 PolarHBondContact O-N 3.45Å; A150-A154 WeakPolarHBondContact O-CB 3.19Å; A150-A154 PolarHBondContact O-N 3.48Å; A150-A154 VanDerWaalsContact O-N 3.12Å
151Y98.8Very high97.9Very high0 Ų062.3 Ų62.30%029%0.294CS..Hα-helixtrans-66.1-42.8175.8-74.2-54.9000112.5K122 D126 R129 A147 R148 A154 M155 L172 N175 F176 F179K122-Y151 HydrophobicContact CG-CE1 4.49Å; D126-Y151 VanDerWaalsContact CA-OH 3.27Å; D126-Y151 WeakPolarHBondContact CA-OH 3.42Å; D126-Y151 PolarHBondContact N-OH 3.25Å; D126-Y151 PolarHBondContact OD1-OH 3.04Å; R129-Y151 PolarHBondContact NE-OH 3.35Å; A147-Y151 WeakPolarHBondContact O-CD2 3.33Å; A147-Y151 PolarHBondContact O-N 3.3Å; R148-Y151 PolarHBondContact O-N 2.9Å; Y151-A154 WeakPolarHBondContact O-CB 3.33Å; Y151-A154 PolarHBondContact O-N 3.04Å; Y151-M155 WeakPolarHBondContact O-CG 3.31Å; Y151-M155 PolarHBondContact O-N 3.16Å; Y151-L172 HydrophobicContact CD1-CD1 3.67Å; Y151-L172 HydrophobicContact CE1-CD1 4.39Å; Y151-N175 HydrophobicContact CE1-CB 4.18Å; Y151-F176 VanDerWaalsContact CB-CE2 3.42Å; Y151-F176 HydrophobicContact CD1-CB 4.04Å; Y151-F176 HydrophobicContact CD1-CD2 4.35Å; Y151-F176 HydrophobicContact CD1-CG 4.3Å; Y151-F176 AromaticContact CD2-CD2 3.46Å; Y151-F176 HydrophobicContact CD2-CD2 3.46Å; Y151-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y151-F176 AromaticContact CD2-CE2 3.9Å; Y151-F176 HydrophobicContact CD2-CE2 3.9Å; Y151-F176 HydrophobicContact CD2-CG 4.21Å; Y151-F176 HydrophobicContact CE2-CD2 4.29Å; Y151-F176 HydrophobicContact CG-CB 4.02Å; Y151-F176 AromaticContact CG-CD2 3.48Å; Y151-F176 HydrophobicContact CG-CD2 3.48Å; Y151-F176 VanDerWaalsContact CG-CD2 3.48Å; Y151-F176 AromaticContact CG-CE2 3.99Å; Y151-F176 HydrophobicContact CG-CE2 3.99Å; Y151-F176 AromaticContact CG-CG 3.8Å; Y151-F176 HydrophobicContact CG-CG 3.8Å; Y151-F179 HydrophobicContact CD2-CB 4.21Å; Y151-F179 HydrophobicContact CD2-CD1 4.36Å; Y151-F179 HydrophobicContact CD2-CG 4.11Å; Y151-F179 HydrophobicContact CE2-CB 3.71Å; Y151-F179 HydrophobicContact CE2-CD2 4.17Å; Y151-F179 AromaticContact CE2-CG 3.91Å; Y151-F179 HydrophobicContact CE2-CG 3.91Å
152Q98.6Very high98Very high83 Ų8355.5 Ų55.539%0.38827%0.265SS..Hα-helixtrans-63.7-43.6179.8-173.160.554.100111.5R148 S149 A154 M155 D156R148-Q152 VanDerWaalsContact O-CB 3.31Å; R148-Q152 WeakPolarHBondContact O-CB 3.37Å; R148-Q152 PolarHBondContact O-N 3.15Å; S149-Q152 PolarHBondContact O-N 3.27Å; Q152-A154 VanDerWaalsContact C-N 3.3Å; Q152-A154 PolarHBondContact O-N 2.81Å; Q152-M155 WeakPolarHBondContact O-CB 3.43Å; Q152-M155 PolarHBondContact O-N 2.99Å; Q152-M155 VanDerWaalsContact O-N 3.09Å; Q152-D156 PolarHBondContact NE2-OD1 2.98Å; Q152-D156 VanDerWaalsContact O-CG 3.24Å; Q152-D156 PolarHBondContact O-N 3.35Å
153E98.5Very high98Very high95 Ų9551.5 Ų51.544%0.44426%0.259SS..Hα-helixtrans-59.4-42.8175-169.8-178.7169.900111.4L121 S149 M155 D156 I157L121-E153 HydrophobicContact CD1-CB 4.26Å; L121-E153 HydrophobicContact CD1-CG 3.8Å; L121-E153 HydrophobicContact CD2-CB 4.5Å; L121-E153 HydrophobicContact CD2-CG 4.36Å; S149-E153 WeakPolarHBondContact O-CB 3.29Å; S149-E153 PolarHBondContact O-N 2.96Å; E153-M155 VanDerWaalsContact C-N 3.34Å; E153-M155 PolarHBondContact O-N 3.13Å; E153-D156 PolarHBondContact O-N 3.29Å; E153-I157 HydrophobicContact CG-CD1 4.44Å; E153-I157 WeakPolarHBondContact O-CG1 3.44Å; E153-I157 PolarHBondContact O-N 3.36Å
154A98.7Very high98Very high0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-63.8-37.8174.400000112.4V118 L121 A150 Y151 Q152 S158 L172V118-A154 HydrophobicContact CG1-CB 4.38Å; L121-A154 HydrophobicContact CB-CB 3.69Å; A150-A154 WeakPolarHBondContact O-CB 3.19Å; A150-A154 PolarHBondContact O-N 3.48Å; A150-A154 VanDerWaalsContact O-N 3.12Å; Y151-A154 WeakPolarHBondContact O-CB 3.33Å; Y151-A154 PolarHBondContact O-N 3.04Å; Q152-A154 VanDerWaalsContact C-N 3.3Å; Q152-A154 PolarHBondContact O-N 2.81Å; A154-S158 VanDerWaalsContact O-CB 3.24Å; A154-S158 WeakPolarHBondContact O-CB 3.38Å; A154-S158 PolarHBondContact O-N 2.66Å; A154-S158 PolarHBondContact O-OG 3.14Å; A154-L172 VanDerWaalsContact C-CD2 3.4Å; A154-L172 HydrophobicContact CB-CD1 3.71Å; A154-L172 HydrophobicContact CB-CD2 3.55Å; A154-L172 HydrophobicContact CB-CG 4.29Å; A154-L172 WeakPolarHBondContact O-CD2 3.26Å
155M98.5Very high97.9Very high5 Ų550.2 Ų50.23%0.02525%0.254CS..Hα-helixtrans-67-40.8178.7-75.6-59.4-55.800111.3Y151 Q152 E153 S158 K159 L172 F176 L193Y151-M155 WeakPolarHBondContact O-CG 3.31Å; Y151-M155 PolarHBondContact O-N 3.16Å; Q152-M155 WeakPolarHBondContact O-CB 3.43Å; Q152-M155 PolarHBondContact O-N 2.99Å; Q152-M155 VanDerWaalsContact O-N 3.09Å; E153-M155 VanDerWaalsContact C-N 3.34Å; E153-M155 PolarHBondContact O-N 3.13Å; M155-S158 WeakPolarHBondContact CA-OG 3.48Å; M155-S158 PolarHBondContact O-N 3Å; M155-S158 PolarHBondContact O-OG 3.36Å; M155-S158 VanDerWaalsContact O-OG 3.13Å; M155-K159 HydrophobicContact CE-CD 4.36Å; M155-K159 HydrophobicContact CE-CG 4.36Å; M155-K159 WeakPolarHBondContact O-CB 3.17Å; M155-K159 VanDerWaalsContact O-CG 3.32Å; M155-K159 WeakPolarHBondContact O-CG 3.16Å; M155-K159 PolarHBondContact O-N 2.87Å; M155-L172 HydrophobicContact CB-CD2 4.49Å; M155-L172 HydrophobicContact CG-CD2 3.98Å; M155-L172 HydrophobicContact CG-CG 4.3Å; M155-L172 HydrophobicContact SD-CD1 4.47Å; M155-L172 HydrophobicContact SD-CD2 3.46Å; M155-L172 WeakPolarHBondContact SD-CD2 3.5Å; M155-L172 HydrophobicContact SD-CG 3.59Å; M155-L172 VanDerWaalsContact SD-CG 3.59Å; M155-F176 HydrophobicContact CG-CD1 3.6Å; M155-F176 HydrophobicContact CG-CE1 3.87Å; M155-F176 HydrophobicContact SD-CD1 4.31Å; M155-L193 HydrophobicContact CE-CD1 3.87Å
156D98.3Very high97.8Very high94 Ų9447.7 Ų47.750%0.50324%0.24SC..Hα-helixtrans-65.4-42.9-179.7-67.1-15.2000111.4Q152 E153 K160Q152-D156 PolarHBondContact NE2-OD1 2.98Å; Q152-D156 VanDerWaalsContact O-CG 3.24Å; Q152-D156 PolarHBondContact O-N 3.35Å; E153-D156 PolarHBondContact O-N 3.29Å; D156-K160 WeakPolarHBondContact O-CB 3.2Å; D156-K160 PolarHBondContact O-N 2.68Å
157I98.4Very high97.7Very high25 Ų2547.1 Ų47.113%0.12824%0.236CC..Hα-helixtrans-67.2-49175.5-61.5167.3000110.3A114 R117 V118 L121 E153 K159 K160 E161A114-I157 HydrophobicContact CB-CG2 4.31Å; R117-I157 HydrophobicContact CB-CD1 4.48Å; V118-I157 HydrophobicContact CG2-CB 3.83Å; V118-I157 HydrophobicContact CG2-CG2 3.61Å; L121-I157 HydrophobicContact CD1-CD1 3.72Å; E153-I157 HydrophobicContact CG-CD1 4.44Å; E153-I157 WeakPolarHBondContact O-CG1 3.44Å; E153-I157 PolarHBondContact O-N 3.36Å; I157-K159 PolarHBondContact O-N 3.24Å; I157-K160 PolarHBondContact O-N 2.89Å; I157-E161 PolarHBondContact O-N 3.13Å
158S98.1Very high97.6Very high0 Ų048.4 Ų48.40%024%0.243CC..Hα-helixtrans-66.4-38-174.561.50000113.2A154 M155 K160 M162A154-S158 VanDerWaalsContact O-CB 3.24Å; A154-S158 WeakPolarHBondContact O-CB 3.38Å; A154-S158 PolarHBondContact O-N 2.66Å; A154-S158 PolarHBondContact O-OG 3.14Å; M155-S158 WeakPolarHBondContact CA-OG 3.48Å; M155-S158 PolarHBondContact O-N 3Å; M155-S158 PolarHBondContact O-OG 3.36Å; M155-S158 VanDerWaalsContact O-OG 3.13Å; S158-K160 VanDerWaalsContact C-N 3.25Å; S158-K160 PolarHBondContact O-N 2.65Å; S158-M162 WeakPolarHBondContact O-CA 2.99Å; S158-M162 VanDerWaalsContact O-CB 3.3Å; S158-M162 WeakPolarHBondContact O-CB 3.13Å; S158-M162 PolarHBondContact O-N 3.45Å
159K97.3Very high97.6Very high111 Ų11145.4 Ų45.448%0.48323%0.231SC..Hα-helixtrans-63.6-32.1174.9-77.7-178.9175.21800112.8M155 I157M155-K159 HydrophobicContact CE-CD 4.36Å; M155-K159 HydrophobicContact CE-CG 4.36Å; M155-K159 WeakPolarHBondContact O-CB 3.17Å; M155-K159 VanDerWaalsContact O-CG 3.32Å; M155-K159 WeakPolarHBondContact O-CG 3.16Å; M155-K159 PolarHBondContact O-N 2.87Å; I157-K159 PolarHBondContact O-N 3.24Å
160K97.3Very high97.6Very high173 Ų17341.8 Ų41.875%0.75221%0.206SC*.Hα-helixtrans-83.6-38.7-177.8-177.7-177.6169.3-172.40112.9D156 I157 S158D156-K160 WeakPolarHBondContact O-CB 3.2Å; D156-K160 PolarHBondContact O-N 2.68Å; I157-K160 PolarHBondContact O-N 2.89Å; S158-K160 VanDerWaalsContact C-N 3.25Å; S158-K160 PolarHBondContact O-N 2.65Å
161E97.6Very high97.6Very high94 Ų9442.1 Ų42.144%0.43921%0.21SC..Hα-helixtrans-115.5-6.4-165.1-61-174-136.600113.8A114 R117 I157A114-E161 HydrophobicContact CB-CB 3.83Å; A114-E161 VanDerWaalsContact CB-OE2 3.32Å; A114-E161 WeakPolarHBondContact CB-OE2 3.31Å; R117-E161 IonicContact NH2-OE1 3.85Å; R117-E161 PolarHBondContact NH2-OE1 2.88Å; R117-E161 IonicContact NH2-OE2 3.73Å; R117-E161 PolarHBondContact NH2-OE2 3.47Å; R117-E161 VanDerWaalsContact NH2-OE2 3.09Å; I157-E161 PolarHBondContact O-N 3.13Å
162M96.3Very high97.6Very high10 Ų1042.1 Ų42.15%0.04921%0.21CC..SBendtrans-129138.8-174-52.1172.768.800111.8E115 V118 S158 N166 I168 R169E115-M162 HydrophobicContact CG-CE 4.07Å; V118-M162 HydrophobicContact CB-SD 3.99Å; V118-M162 HydrophobicContact CG1-SD 4.07Å; V118-M162 HydrophobicContact CG2-SD 3.76Å; S158-M162 WeakPolarHBondContact O-CA 2.99Å; S158-M162 VanDerWaalsContact O-CB 3.3Å; S158-M162 WeakPolarHBondContact O-CB 3.13Å; S158-M162 PolarHBondContact O-N 3.45Å; M162-N166 HydrophobicContact CB-CB 4.31Å; M162-N166 HydrophobicContact CE-CB 4.15Å; M162-N166 WeakPolarHBondContact CE-OD1 3.36Å; M162-I168 HydrophobicContact CE-CB 3.79Å; M162-I168 HydrophobicContact CE-CG2 4.02Å; M162-R169 HydrophobicContact CB-CB 4.43Å; M162-R169 HydrophobicContact CE-CB 4.38Å; M162-R169 PolarHBondContact O-NH1 3.11Å
163P95.9Very high97.6Very high70 Ų7038.2 Ų38.246%0.45519%0.191SC..  trans-65.8152.4177.727.2-32.8000111.1T165 N166P163-T165 PolarHBondContact O-N 3.42Å; P163-T165 VanDerWaalsContact O-N 3.09Å; P163-N166 HydrophobicContact CG-CB 4.05Å; P163-N166 VanDerWaalsContact O-CB 3.31Å; P163-N166 WeakPolarHBondContact O-CB 3.18Å; P163-N166 PolarHBondContact O-N 2.91Å
164P96.8Very high97.6Very high21 Ų2134.5 Ų34.514%0.13618%0.175CC..THydrogen-bonded Turntrans-56.2-27.4-179.3-26.935.8000114.5L170 E200 D204P164-L170 WeakPolarHBondContact O-CD2 3.33Å; P164-E200 HydrophobicContact CB-CB 3.98Å; P164-E200 HydrophobicContact CG-CB 4.43Å; P164-D204 WeakPolarHBondContact CD-OD2 3.27Å; P164-D204 WeakPolarHBondContact CG-OD2 3.46Å
165T96.2Very high97.6Very high5 Ų536 Ų363%0.03118%0.183CC..THydrogen-bonded Turntrans-87.3-0.8-179.956.20000114.1P163 A201 D204 S216P163-T165 PolarHBondContact O-N 3.42Å; P163-T165 VanDerWaalsContact O-N 3.09Å; T165-A201 HydrophobicContact CG2-CB 4.5Å; T165-A201 WeakPolarHBondContact CG2-O 3.45Å; T165-D204 HydrophobicContact CG2-CB 3.8Å; T165-D204 WeakPolarHBondContact CG2-O 3.31Å; T165-S216 WeakPolarHBondContact O-CB 3.32Å; T165-S216 PolarHBondContact O-OG 2.96Å
166N95.7Very high97.6Very high17 Ų1736 Ų369%0.09118%0.182CC..  trans-65.4128.9178.9-177.7-69000110.7E115 M162 P163 I168 R169 L170E115-N166 PolarHBondContact OE1-ND2 3.49Å; M162-N166 HydrophobicContact CB-CB 4.31Å; M162-N166 HydrophobicContact CE-CB 4.15Å; M162-N166 WeakPolarHBondContact CE-OD1 3.36Å; P163-N166 HydrophobicContact CG-CB 4.05Å; P163-N166 VanDerWaalsContact O-CB 3.31Å; P163-N166 WeakPolarHBondContact O-CB 3.18Å; P163-N166 PolarHBondContact O-N 2.91Å; N166-I168 VanDerWaalsContact C-N 3.29Å; N166-I168 PolarHBondContact O-N 3.09Å; N166-I168 WeakPolarHBondContact OD1-CA 3.4Å; N166-I168 WeakPolarHBondContact OD1-CB 3.44Å; N166-I168 PolarHBondContact OD1-N 3.48Å; N166-R169 HydrophobicContact CB-CB 4.2Å; N166-R169 PolarHBondContact O-N 3.21Å; N166-R169 VanDerWaalsContact O-N 3.16Å; N166-R169 PolarHBondContact OD1-N 3.37Å; N166-L170 WeakPolarHBondContact O-CG 3.09Å; N166-L170 PolarHBondContact O-N 3.45Å
167P96.4Very high97.6Very high27 Ų2731.5 Ų31.518%0.17516%0.158CC..Hα-helixtrans-63.4-30.5-17523.9-33.6000113.7G171 D215 I219P167-G171 PolarHBondContact O-N 3.02Å; P167-D215 HydrophobicContact CB-CB 4.05Å; P167-I219 HydrophobicContact CB-CD1 4.09Å; P167-I219 VanDerWaalsContact O-CD1 3.26Å; P167-I219 WeakPolarHBondContact O-CD1 3.49Å
168I97.2Very high97.6Very high27 Ų2731.1 Ų31.114%0.13816%0.157CC..Hα-helixtrans-70.8-43176.5-63.1169.2000110.3E115 V118 F119 M162 N166 G171 L172E115-I168 HydrophobicContact CB-CD1 3.91Å; E115-I168 HydrophobicContact CG-CD1 4.48Å; V118-I168 HydrophobicContact CB-CG2 4.31Å; V118-I168 HydrophobicContact CG1-CG2 3.76Å; F119-I168 HydrophobicContact CB-CG2 4.42Å; F119-I168 HydrophobicContact CD2-CD1 4.48Å; M162-I168 HydrophobicContact CE-CB 3.79Å; M162-I168 HydrophobicContact CE-CG2 4.02Å; N166-I168 VanDerWaalsContact C-N 3.29Å; N166-I168 PolarHBondContact O-N 3.09Å; N166-I168 WeakPolarHBondContact OD1-CA 3.4Å; N166-I168 WeakPolarHBondContact OD1-CB 3.44Å; N166-I168 PolarHBondContact OD1-N 3.48Å; I168-G171 PolarHBondContact O-N 2.87Å; I168-L172 WeakPolarHBondContact O-CB 3.47Å; I168-L172 PolarHBondContact O-N 3.12Å
169R97.9Very high97.6Very high18 Ų1831.1 Ų31.17%0.06816%0.157CC..Hα-helixtrans-63-45.8175.4176.6177.7167.9171.2-4.8111.1M162 N166 L172 A173 E200M162-R169 HydrophobicContact CB-CB 4.43Å; M162-R169 HydrophobicContact CE-CB 4.38Å; M162-R169 PolarHBondContact O-NH1 3.11Å; N166-R169 HydrophobicContact CB-CB 4.2Å; N166-R169 PolarHBondContact O-N 3.21Å; N166-R169 VanDerWaalsContact O-N 3.16Å; N166-R169 PolarHBondContact OD1-N 3.37Å; R169-L172 WeakPolarHBondContact O-CB 3.48Å; R169-L172 PolarHBondContact O-N 3.29Å; R169-A173 PolarHBondContact O-N 2.87Å; R169-A173 VanDerWaalsContact O-N 3.08Å; R169-E200 IonicContact CZ-OE2 3.81Å; R169-E200 IonicContact NH2-OE2 2.76Å; R169-E200 PolarHBondContact NH2-OE2 3.4Å
170L98.5Very high97.7Very high0 Ų026.5 Ų26.50%014%0.137CC..Hα-helixtrans-60.1-47175.5-71.9173.8000111.6P164 N166 L172 A173 L174 T197 A201 I219 M220 L223P164-L170 WeakPolarHBondContact O-CD2 3.33Å; N166-L170 WeakPolarHBondContact O-CG 3.09Å; N166-L170 PolarHBondContact O-N 3.45Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 3.48Å; L170-A173 PolarHBondContact O-N 2.95Å; L170-L174 PolarHBondContact O-N 3.42Å; L170-T197 HydrophobicContact CD2-CG2 3.7Å; L170-A201 HydrophobicContact CD2-CB 3.71Å; L170-I219 HydrophobicContact CB-CB 4.17Å; L170-I219 HydrophobicContact CB-CD1 4.38Å; L170-I219 HydrophobicContact CB-CG2 3.63Å; L170-M220 HydrophobicContact CD1-CG 3.98Å; L170-M220 HydrophobicContact CD1-SD 4.39Å; L170-M220 HydrophobicContact CD2-CG 4.18Å; L170-L223 HydrophobicContact CD2-CD1 4.27Å
171G98.3Very high97.7Very high10 Ų1020.9 Ų20.910%0.10311%0.112CC..Hα-helixtrans-64.6-33.2179.100000112.9K122 P167 I168 N175K122-G171 WeakPolarHBondContact CE-O 3.37Å; P167-G171 PolarHBondContact O-N 3.02Å; I168-G171 PolarHBondContact O-N 2.87Å; G171-N175 PolarHBondContact O-N 3.42Å; G171-N175 VanDerWaalsContact O-N 3.12Å
172L98.8Very high97.7Very high0 Ų021.4 Ų21.40%011%0.114CC..Hα-helixtrans-62.3-52.3171.4166.765.3000111V118 K122 Y151 A154 M155 I168 R169 L170 L174 N175 F176V118-L172 HydrophobicContact CG1-CD2 3.97Å; K122-L172 HydrophobicContact CB-CB 4.49Å; K122-L172 HydrophobicContact CB-CD1 3.91Å; K122-L172 HydrophobicContact CD-CB 4.06Å; K122-L172 HydrophobicContact CG-CB 4.24Å; K122-L172 HydrophobicContact CG-CD1 3.96Å; Y151-L172 HydrophobicContact CD1-CD1 3.67Å; Y151-L172 HydrophobicContact CE1-CD1 4.39Å; A154-L172 VanDerWaalsContact C-CD2 3.4Å; A154-L172 HydrophobicContact CB-CD1 3.71Å; A154-L172 HydrophobicContact CB-CD2 3.55Å; A154-L172 HydrophobicContact CB-CG 4.29Å; A154-L172 WeakPolarHBondContact O-CD2 3.26Å; M155-L172 HydrophobicContact CB-CD2 4.49Å; M155-L172 HydrophobicContact CG-CD2 3.98Å; M155-L172 HydrophobicContact CG-CG 4.3Å; M155-L172 HydrophobicContact SD-CD1 4.47Å; M155-L172 HydrophobicContact SD-CD2 3.46Å; M155-L172 WeakPolarHBondContact SD-CD2 3.5Å; M155-L172 HydrophobicContact SD-CG 3.59Å; M155-L172 VanDerWaalsContact SD-CG 3.59Å; I168-L172 WeakPolarHBondContact O-CB 3.47Å; I168-L172 PolarHBondContact O-N 3.12Å; R169-L172 WeakPolarHBondContact O-CB 3.48Å; R169-L172 PolarHBondContact O-N 3.29Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 3.48Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 3.44Å; L172-N175 PolarHBondContact O-N 3.5Å; L172-F176 WeakPolarHBondContact O-CB 3.49Å; L172-F176 PolarHBondContact O-N 2.93Å
173A98.7Very high97.7Very high0 Ų022.1 Ų22.10%012%0.118CC..Hα-helixtrans-62.9-37.2-179.500000112.7R169 L170 S177 T197R169-A173 PolarHBondContact O-N 2.87Å; R169-A173 VanDerWaalsContact O-N 3.08Å; L170-A173 PolarHBondContact O-N 2.95Å; A173-S177 WeakPolarHBondContact O-CB 3.26Å; A173-S177 PolarHBondContact O-N 2.9Å; A173-S177 PolarHBondContact O-OG 2.88Å; A173-T197 HydrophobicContact CB-CG2 3.58Å; A173-T197 WeakPolarHBondContact CB-OG1 3.31Å
174L98.7Very high97.8Very high18 Ų1819.7 Ų19.79%0.09410%0.104CC..Hα-helixtrans-58.6-50.7172.4175.763.8000111L170 L172 S177 V178 I219 L222 L223 N226L170-L174 PolarHBondContact O-N 3.42Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 3.44Å; L174-S177 PolarHBondContact O-OG 2.99Å; L174-V178 WeakPolarHBondContact O-CG2 3.33Å; L174-V178 PolarHBondContact O-N 3.37Å; L174-I219 HydrophobicContact CB-CG2 4.22Å; L174-I219 HydrophobicContact CD2-CG2 4.1Å; L174-L222 HydrophobicContact CD1-CB 4.11Å; L174-L222 HydrophobicContact CD2-CB 3.89Å; L174-L222 HydrophobicContact CD2-CD1 3.85Å; L174-L223 HydrophobicContact CB-CD2 3.95Å; L174-L223 HydrophobicContact CB-CG 4.24Å; L174-L223 HydrophobicContact CD1-CD2 3.95Å; L174-L223 HydrophobicContact CD1-CG 4.18Å; L174-N226 WeakPolarHBondContact CD1-ND2 3.21Å
175N98.6Very high97.7Very high31 Ų3125.4 Ų25.417%0.16613%0.133CC..Hα-helixtrans-70.9-35.5-177.5-77.415.8000112.7K122 D126 Y151 G171 L172 V178 F179K122-N175 WeakPolarHBondContact CE-ND2 3.23Å; K122-N175 PolarHBondContact NZ-ND2 2.87Å; D126-N175 WeakPolarHBondContact OD1-CB 3.31Å; D126-N175 PolarHBondContact OD1-ND2 2.96Å; D126-N175 PolarHBondContact OD2-ND2 3.21Å; Y151-N175 HydrophobicContact CE1-CB 4.18Å; G171-N175 PolarHBondContact O-N 3.42Å; G171-N175 VanDerWaalsContact O-N 3.12Å; L172-N175 PolarHBondContact O-N 3.5Å; N175-V178 PolarHBondContact O-N 3.33Å; N175-F179 PolarHBondContact O-N 3.49Å
176F98.8Very high97.7Very high4 Ų426.3 Ų26.32%0.01814%0.14CC..Hα-helixtrans-72.3-36.3178.8-168-160.8000111.8R148 Y151 M155 L172 V178 F179 H180 L193R148-F176 HydrophobicContact CG-CZ 4.48Å; Y151-F176 VanDerWaalsContact CB-CE2 3.42Å; Y151-F176 HydrophobicContact CD1-CB 4.04Å; Y151-F176 HydrophobicContact CD1-CD2 4.35Å; Y151-F176 HydrophobicContact CD1-CG 4.3Å; Y151-F176 AromaticContact CD2-CD2 3.46Å; Y151-F176 HydrophobicContact CD2-CD2 3.46Å; Y151-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y151-F176 AromaticContact CD2-CE2 3.9Å; Y151-F176 HydrophobicContact CD2-CE2 3.9Å; Y151-F176 HydrophobicContact CD2-CG 4.21Å; Y151-F176 HydrophobicContact CE2-CD2 4.29Å; Y151-F176 HydrophobicContact CG-CB 4.02Å; Y151-F176 AromaticContact CG-CD2 3.48Å; Y151-F176 HydrophobicContact CG-CD2 3.48Å; Y151-F176 VanDerWaalsContact CG-CD2 3.48Å; Y151-F176 AromaticContact CG-CE2 3.99Å; Y151-F176 HydrophobicContact CG-CE2 3.99Å; Y151-F176 AromaticContact CG-CG 3.8Å; Y151-F176 HydrophobicContact CG-CG 3.8Å; M155-F176 HydrophobicContact CG-CD1 3.6Å; M155-F176 HydrophobicContact CG-CE1 3.87Å; M155-F176 HydrophobicContact SD-CD1 4.31Å; L172-F176 WeakPolarHBondContact O-CB 3.49Å; L172-F176 PolarHBondContact O-N 2.93Å; F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 3.47Å; F176-F179 HydrophobicContact CD2-CB 4.2Å; F176-F179 AromaticContact CD2-CD1 3.67Å; F176-F179 HydrophobicContact CD2-CD1 3.67Å; F176-F179 HydrophobicContact CD2-CE1 4.48Å; F176-F179 HydrophobicContact CD2-CG 4.27Å; F176-F179 AromaticContact CE2-CD1 3.58Å; F176-F179 HydrophobicContact CE2-CD1 3.58Å; F176-F179 AromaticContact CE2-CE1 3.96Å; F176-F179 HydrophobicContact CE2-CE1 3.96Å; F176-F179 VanDerWaalsContact O-CB 3.31Å; F176-F179 WeakPolarHBondContact O-CB 3.35Å; F176-F179 PolarHBondContact O-N 3.12Å; F176-H180 AromaticContact CD1-NE2 4Å; F176-H180 AromaticContact CD2-CD2 3.66Å; F176-H180 AromaticContact CD2-NE2 3.59Å; F176-H180 AromaticContact CE1-NE2 3.63Å; F176-H180 AromaticContact CE2-CD2 3.71Å; F176-H180 AromaticContact CE2-CE1 3.89Å; F176-H180 AromaticContact CE2-NE2 3.17Å; F176-H180 WeakPolarHBondContact CE2-NE2 3.42Å; F176-H180 AromaticContact CG-NE2 3.99Å; F176-H180 AromaticContact CZ-CE1 3.94Å; F176-H180 AromaticContact CZ-NE2 3.2Å; F176-H180 WeakPolarHBondContact CZ-NE2 3.43Å; F176-H180 PolarHBondContact O-CD2 2.83Å; F176-H180 PolarHBondContact O-N 3.1Å; F176-L193 HydrophobicContact CB-CD2 3.88Å; F176-L193 HydrophobicContact CD1-CD2 3.63Å; F176-L193 HydrophobicContact CE1-CD2 4.48Å; F176-L193 HydrophobicContact CG-CD2 3.89Å
177S98.6Very high97.8Very high0 Ų026.6 Ų26.60%014%0.143CC..Hα-helixtrans-63.9-40.4172.560.40000111.7A173 L174 F179 H180 Y181 A190A173-S177 WeakPolarHBondContact O-CB 3.26Å; A173-S177 PolarHBondContact O-N 2.9Å; A173-S177 PolarHBondContact O-OG 2.88Å; L174-S177 PolarHBondContact O-OG 2.99Å; S177-F179 VanDerWaalsContact C-N 3.32Å; S177-F179 PolarHBondContact O-N 2.84Å; S177-H180 PolarHBondContact O-N 3.5Å; S177-Y181 PolarHBondContact O-N 2.89Å; S177-A190 WeakPolarHBondContact CB-O 3.43Å; S177-A190 VanDerWaalsContact O-CB 3.24Å; S177-A190 WeakPolarHBondContact O-CB 3.25Å
178V98.4Very high97.8Very high18 Ų1831.5 Ų31.511%0.10916%0.163CC..Hα-helixtrans-60.7-40171.6173.40000111.7L174 N175 F176 Y181 E182 W230L174-V178 WeakPolarHBondContact O-CG2 3.33Å; L174-V178 PolarHBondContact O-N 3.37Å; N175-V178 PolarHBondContact O-N 3.33Å; F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 3.47Å; V178-Y181 PolarHBondContact O-N 3.21Å; V178-E182 VanDerWaalsContact CG1-CD 3.48Å; V178-E182 HydrophobicContact CG1-CG 4.05Å; V178-E182 WeakPolarHBondContact CG1-OE2 3.39Å; V178-E182 WeakPolarHBondContact O-CB 3.33Å; V178-E182 PolarHBondContact O-N 3.05Å; V178-W230 HydrophobicContact CG2-CH2 3.97Å; V178-W230 HydrophobicContact CG2-CZ2 4.03Å
179F98.7Very high97.8Very high0 Ų035.1 Ų35.10%018%0.18CC..Hα-helixtrans-59-49172.2166.4-95.9000112.1R129 I144 A147 R148 Y151 N175 F176 S177 Y181 I183 A184R129-F179 HydrophobicContact CB-CD2 4.42Å; R129-F179 HydrophobicContact CG-CB 4.46Å; R129-F179 HydrophobicContact CG-CD2 4.15Å; I144-F179 HydrophobicContact CG2-CE2 4.2Å; I144-F179 HydrophobicContact CG2-CZ 3.84Å; A147-F179 HydrophobicContact CB-CD2 3.96Å; A147-F179 HydrophobicContact CB-CE2 3.49Å; A147-F179 VanDerWaalsContact CB-CE2 3.49Å; A147-F179 HydrophobicContact CB-CZ 4.12Å; R148-F179 HydrophobicContact CB-CE1 3.91Å; R148-F179 HydrophobicContact CB-CZ 3.89Å; R148-F179 HydrophobicContact CG-CE1 4.33Å; Y151-F179 HydrophobicContact CD2-CB 4.21Å; Y151-F179 HydrophobicContact CD2-CD1 4.36Å; Y151-F179 HydrophobicContact CD2-CG 4.11Å; Y151-F179 HydrophobicContact CE2-CB 3.71Å; Y151-F179 HydrophobicContact CE2-CD2 4.17Å; Y151-F179 AromaticContact CE2-CG 3.91Å; Y151-F179 HydrophobicContact CE2-CG 3.91Å; N175-F179 PolarHBondContact O-N 3.49Å; F176-F179 HydrophobicContact CD2-CB 4.2Å; F176-F179 AromaticContact CD2-CD1 3.67Å; F176-F179 HydrophobicContact CD2-CD1 3.67Å; F176-F179 HydrophobicContact CD2-CE1 4.48Å; F176-F179 HydrophobicContact CD2-CG 4.27Å; F176-F179 AromaticContact CE2-CD1 3.58Å; F176-F179 HydrophobicContact CE2-CD1 3.58Å; F176-F179 AromaticContact CE2-CE1 3.96Å; F176-F179 HydrophobicContact CE2-CE1 3.96Å; F176-F179 VanDerWaalsContact O-CB 3.31Å; F176-F179 WeakPolarHBondContact O-CB 3.35Å; F176-F179 PolarHBondContact O-N 3.12Å; S177-F179 VanDerWaalsContact C-N 3.32Å; S177-F179 PolarHBondContact O-N 2.84Å; F179-Y181 VanDerWaalsContact C-N 3.26Å; F179-Y181 PolarHBondContact O-N 3.28Å; F179-I183 HydrophobicContact CD2-CB 3.83Å; F179-I183 HydrophobicContact CD2-CG1 4.42Å; F179-I183 HydrophobicContact CD2-CG2 3.91Å; F179-I183 HydrophobicContact CE2-CB 4.07Å; F179-I183 HydrophobicContact CE2-CG2 3.66Å; F179-I183 WeakPolarHBondContact O-CA 3.4Å; F179-I183 WeakPolarHBondContact O-CB 3.46Å; F179-I183 PolarHBondContact O-N 2.9Å; F179-A184 HydrophobicContact CD1-CB 4.42Å; F179-A184 HydrophobicContact CE1-CB 3.94Å; F179-A184 HydrophobicContact CZ-CB 4.2Å; F179-A184 PolarHBondContact O-N 3.33Å
180H98.5Very high97.9Very high13 Ų1334.2 Ų34.26%0.0618%0.176CC..Hα-helixtrans-58.8-42.5179.8-78.7-76.8000111.2F176 S177 A184 N185 S186 E189 A190F176-H180 AromaticContact CD1-NE2 4Å; F176-H180 AromaticContact CD2-CD2 3.66Å; F176-H180 AromaticContact CD2-NE2 3.59Å; F176-H180 AromaticContact CE1-NE2 3.63Å; F176-H180 AromaticContact CE2-CD2 3.71Å; F176-H180 AromaticContact CE2-CE1 3.89Å; F176-H180 AromaticContact CE2-NE2 3.17Å; F176-H180 WeakPolarHBondContact CE2-NE2 3.42Å; F176-H180 AromaticContact CG-NE2 3.99Å; F176-H180 AromaticContact CZ-CE1 3.94Å; F176-H180 AromaticContact CZ-NE2 3.2Å; F176-H180 WeakPolarHBondContact CZ-NE2 3.43Å; F176-H180 PolarHBondContact O-CD2 2.83Å; F176-H180 PolarHBondContact O-N 3.1Å; S177-H180 PolarHBondContact O-N 3.5Å; H180-A184 CarbonylContact O-C 3.43Å; H180-N185 PolarHBondContact O-N 3.24Å; H180-N185 VanDerWaalsContact O-N 3.15Å; H180-S186 PolarHBondContact O-N 3.33Å; H180-E189 HydrophobicContact CB-CB 4.37Å; H180-E189 IonicContact CE1-OE2 3.42Å; H180-E189 PolarHBondContact CE1-OE2 3.44Å; H180-E189 IonicContact ND1-OE2 3.09Å; H180-E189 PolarHBondContact ND1-OE2 2.98Å; H180-A190 HydrophobicContact CB-CB 3.73Å
181Y98.2Very high97.8Very high56 Ų5635.7 Ų35.722%0.2218%0.184CC..Hα-helixtrans-71.5-60.4-179.3-167.3-90.9000112.3S177 V178 F179 P187 A190 W230 D233S177-Y181 PolarHBondContact O-N 2.89Å; V178-Y181 PolarHBondContact O-N 3.21Å; F179-Y181 VanDerWaalsContact C-N 3.26Å; F179-Y181 PolarHBondContact O-N 3.28Å; Y181-P187 HydrophobicContact CD2-CB 3.83Å; Y181-P187 HydrophobicContact CE2-CB 3.86Å; Y181-A190 HydrophobicContact CD2-CB 4.35Å; Y181-W230 AromaticContact CD1-CD1 3.85Å; Y181-W230 AromaticContact CD1-CE2 3.94Å; Y181-W230 HydrophobicContact CD1-CZ2 4.45Å; Y181-W230 AromaticContact CD1-NE1 3.44Å; Y181-W230 HydrophobicContact CD2-CB 4.03Å; Y181-W230 AromaticContact CD2-CD1 3.59Å; Y181-W230 AromaticContact CD2-CD2 3.72Å; Y181-W230 HydrophobicContact CD2-CD2 3.72Å; Y181-W230 AromaticContact CD2-CE2 3.88Å; Y181-W230 HydrophobicContact CD2-CE3 4.41Å; Y181-W230 AromaticContact CD2-CG 3.52Å; Y181-W230 HydrophobicContact CD2-CG 3.52Å; Y181-W230 AromaticContact CD2-NE1 3.79Å; Y181-W230 AromaticContact CE1-CD1 3.54Å; Y181-W230 HydrophobicContact CE1-CG 4.42Å; Y181-W230 AromaticContact CE1-NE1 3.52Å; Y181-W230 HydrophobicContact CE2-CB 3.64Å; Y181-W230 AromaticContact CE2-CD1 3.27Å; Y181-W230 HydrophobicContact CE2-CD2 4.12Å; Y181-W230 AromaticContact CE2-CG 3.41Å; Y181-W230 HydrophobicContact CE2-CG 3.41Å; Y181-W230 VanDerWaalsContact CE2-CG 3.41Å; Y181-W230 AromaticContact CE2-NE1 3.88Å; Y181-W230 AromaticContact CG-CD1 3.87Å; Y181-W230 AromaticContact CG-CD2 3.99Å; Y181-W230 HydrophobicContact CG-CD2 3.99Å; Y181-W230 AromaticContact CG-CE2 3.65Å; Y181-W230 HydrophobicContact CG-CG 4.11Å; Y181-W230 HydrophobicContact CG-CZ2 4.12Å; Y181-W230 AromaticContact CG-NE1 3.57Å; Y181-W230 AromaticContact CZ-CD1 3.25Å; Y181-W230 AromaticContact CZ-CG 3.89Å; Y181-W230 AromaticContact CZ-NE1 3.75Å; Y181-D233 PolarHBondContact OH-OD2 3.11Å; Y181-D233 VanDerWaalsContact OH-OD2 3.1Å
182E96.2Very high97.8Very high104 Ų10438.6 Ų38.649%0.48620%0.202SC..Hα-helixtrans-80.6-30.1-168.7-63.1-178.3169.800113.8R129 V178R129-E182 IonicContact NH1-OE2 3.1Å; V178-E182 VanDerWaalsContact CG1-CD 3.48Å; V178-E182 HydrophobicContact CG1-CG 4.05Å; V178-E182 WeakPolarHBondContact CG1-OE2 3.39Å; V178-E182 WeakPolarHBondContact O-CB 3.33Å; V178-E182 PolarHBondContact O-N 3.05Å
183I97.3Very high97.8Very high25 Ų2539.8 Ų39.813%0.12821%0.209CC..THydrogen-bonded Turntrans-113.8-44.3-169.7-60.6-52.9000112.4R129 A132 E133 I144 F179 N185R129-I183 HydrophobicContact CG-CG1 3.68Å; A132-I183 HydrophobicContact CB-CG2 3.61Å; E133-I183 HydrophobicContact CB-CD1 4.25Å; I144-I183 HydrophobicContact CD1-CG2 4.15Å; I144-I183 HydrophobicContact CG1-CG2 3.74Å; F179-I183 HydrophobicContact CD2-CB 3.83Å; F179-I183 HydrophobicContact CD2-CG1 4.42Å; F179-I183 HydrophobicContact CD2-CG2 3.91Å; F179-I183 HydrophobicContact CE2-CB 4.07Å; F179-I183 HydrophobicContact CE2-CG2 3.66Å; F179-I183 WeakPolarHBondContact O-CA 3.4Å; F179-I183 WeakPolarHBondContact O-CB 3.46Å; F179-I183 PolarHBondContact O-N 2.9Å; I183-N185 VanDerWaalsContact C-N 3.31Å
184A96.5Very high97.8Very high19 Ų1939.8 Ų39.816%0.15721%0.209CC..SBendtrans-84.3-7.5179.300000113.3F179 H180 S186F179-A184 HydrophobicContact CD1-CB 4.42Å; F179-A184 HydrophobicContact CE1-CB 3.94Å; F179-A184 HydrophobicContact CZ-CB 4.2Å; F179-A184 PolarHBondContact O-N 3.33Å; H180-A184 CarbonylContact O-C 3.43Å; A184-S186 PolarHBondContact O-N 3.12Å; A184-S186 PolarHBondContact O-OG 3.4Å
185N95.4Very high97.8Very high141 Ų14144.6 Ų44.675%0.75423%0.229SC*.  trans49.746.5-177-165.867.8000111.9H180 I183H180-N185 PolarHBondContact O-N 3.24Å; H180-N185 VanDerWaalsContact O-N 3.15Å; I183-N185 VanDerWaalsContact C-N 3.31Å
186S97.2Very high97.8Very high25 Ų2546 Ų4618%0.17524%0.238CC..  trans-127.768.5-176.3-56.20000109.3H180 A184 E188 E189 A190H180-S186 PolarHBondContact O-N 3.33Å; A184-S186 PolarHBondContact O-N 3.12Å; A184-S186 PolarHBondContact O-OG 3.4Å; S186-E188 VanDerWaalsContact C-N 3.29Å; S186-E188 PolarHBondContact O-N 3.19Å; S186-E189 PolarHBondContact O-N 2.94Å; S186-A190 PolarHBondContact O-N 2.87Å; S186-A190 VanDerWaalsContact O-N 3.1Å
187P97.1Very high97.7Very high23 Ų2346.1 Ų46.115%0.14924%0.24CC..Hα-helixtrans-63.3-32.2-172.525.3-33.3000113Y181 E189 A190 I191Y181-P187 HydrophobicContact CD2-CB 3.83Å; Y181-P187 HydrophobicContact CE2-CB 3.86Å; P187-E189 PolarHBondContact O-N 2.97Å; P187-A190 WeakPolarHBondContact O-CB 3.4Å; P187-A190 PolarHBondContact O-N 3.5Å; P187-I191 WeakPolarHBondContact O-CB 3.32Å; P187-I191 VanDerWaalsContact O-CG1 3.27Å; P187-I191 WeakPolarHBondContact O-CG1 3.24Å; P187-I191 PolarHBondContact O-N 3.39Å
188E96.7Very high97.7Very high129 Ų12948 Ų4860%0.60325%0.248SC*.Hα-helixtrans-64.1-42.6177-61.970.7-153.200111.5S186 S192S186-E188 VanDerWaalsContact C-N 3.29Å; S186-E188 PolarHBondContact O-N 3.19Å; E188-S192 WeakPolarHBondContact O-CB 3.24Å; E188-S192 PolarHBondContact O-N 3.4Å
189E97.7Very high97.7Very high103 Ų10351.2 Ų51.248%0.48127%0.265SS..Hα-helixtrans-65.8-41175.7-67.8-176.9-166.600111H180 S186 P187 S192 L193H180-E189 HydrophobicContact CB-CB 4.37Å; H180-E189 IonicContact CE1-OE2 3.42Å; H180-E189 PolarHBondContact CE1-OE2 3.44Å; H180-E189 IonicContact ND1-OE2 3.09Å; H180-E189 PolarHBondContact ND1-OE2 2.98Å; S186-E189 PolarHBondContact O-N 2.94Å; P187-E189 PolarHBondContact O-N 2.97Å; E189-S192 PolarHBondContact O-N 3.24Å; E189-L193 VanDerWaalsContact O-CB 3.29Å; E189-L193 WeakPolarHBondContact O-CB 3.33Å; E189-L193 PolarHBondContact O-N 3.08Å
190A98.1Very high97.6Very high0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-60.3-51176.700000112S177 H180 Y181 S186 P187 L193 A194 W230S177-A190 WeakPolarHBondContact CB-O 3.43Å; S177-A190 VanDerWaalsContact O-CB 3.24Å; S177-A190 WeakPolarHBondContact O-CB 3.25Å; H180-A190 HydrophobicContact CB-CB 3.73Å; Y181-A190 HydrophobicContact CD2-CB 4.35Å; S186-A190 PolarHBondContact O-N 2.87Å; S186-A190 VanDerWaalsContact O-N 3.1Å; P187-A190 WeakPolarHBondContact O-CB 3.4Å; P187-A190 PolarHBondContact O-N 3.5Å; A190-L193 PolarHBondContact O-N 3.38Å; A190-A194 WeakPolarHBondContact O-CB 3.19Å; A190-A194 PolarHBondContact O-N 3.49Å; A190-W230 HydrophobicContact CB-CE3 4.27Å; A190-W230 HydrophobicContact CB-CZ3 4.12Å
191I98.3Very high97.6Very high30 Ų3053.9 Ų53.915%0.15428%0.277CS..Hα-helixtrans-64-45.1179.2-68.2166.9000110.1P187 L193 A194 K195 L227 W230P187-I191 WeakPolarHBondContact O-CB 3.32Å; P187-I191 VanDerWaalsContact O-CG1 3.27Å; P187-I191 WeakPolarHBondContact O-CG1 3.24Å; P187-I191 PolarHBondContact O-N 3.39Å; I191-L193 PolarHBondContact O-N 3.46Å; I191-A194 PolarHBondContact O-N 3.21Å; I191-K195 WeakPolarHBondContact O-CB 3.46Å; I191-K195 PolarHBondContact O-N 2.94Å; I191-L227 HydrophobicContact CB-CD2 4.45Å; I191-L227 HydrophobicContact CG2-CD2 3.94Å; I191-L227 WeakPolarHBondContact O-CD2 3.4Å; I191-W230 HydrophobicContact CD1-CB 4.06Å; I191-W230 HydrophobicContact CG1-CB 3.9Å; I191-W230 HydrophobicContact CG1-CE3 4.44Å
192S98.1Very high97.5Very high71 Ų7155.1 Ų55.150%0.49729%0.286SS..Hα-helixtrans-59.5-47.9178.3-179.70000111.5E188 E189 K195 T196E188-S192 WeakPolarHBondContact O-CB 3.24Å; E188-S192 PolarHBondContact O-N 3.4Å; E189-S192 PolarHBondContact O-N 3.24Å; S192-K195 PolarHBondContact O-N 2.66Å; S192-T196 WeakPolarHBondContact O-CB 3.47Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 PolarHBondContact O-OG1 3.07Å; S192-T196 VanDerWaalsContact O-OG1 3.12Å
193L98.4Very high97.5Very high26 Ų2653.3 Ų53.314%0.13629%0.289CS..Hα-helixtrans-63.2-47.1179.6177.260.6000112M155 F176 E189 A190 I191 T197M155-L193 HydrophobicContact CE-CD1 3.87Å; F176-L193 HydrophobicContact CB-CD2 3.88Å; F176-L193 HydrophobicContact CD1-CD2 3.63Å; F176-L193 HydrophobicContact CE1-CD2 4.48Å; F176-L193 HydrophobicContact CG-CD2 3.89Å; E189-L193 VanDerWaalsContact O-CB 3.29Å; E189-L193 WeakPolarHBondContact O-CB 3.33Å; E189-L193 PolarHBondContact O-N 3.08Å; A190-L193 PolarHBondContact O-N 3.38Å; I191-L193 PolarHBondContact O-N 3.46Å; L193-T197 WeakPolarHBondContact O-CB 3.29Å; L193-T197 PolarHBondContact O-N 2.87Å; L193-T197 PolarHBondContact O-OG1 3.4Å
194A98.3Very high97.4Very high0 Ų055 Ų550%030%0.298CS..Hα-helixtrans-63.9-42.7-179.700000111.5A190 I191 F198 L223 L227 W230A190-A194 WeakPolarHBondContact O-CB 3.19Å; A190-A194 PolarHBondContact O-N 3.49Å; I191-A194 PolarHBondContact O-N 3.21Å; A194-F198 WeakPolarHBondContact O-CB 3.33Å; A194-F198 PolarHBondContact O-N 2.94Å; A194-L223 HydrophobicContact CB-CD2 3.95Å; A194-L227 HydrophobicContact CB-CD1 4.33Å; A194-L227 HydrophobicContact CB-CD2 3.73Å; A194-L227 HydrophobicContact CB-CG 3.85Å; A194-W230 HydrophobicContact CB-CZ3 4.36Å
195K98.1Very high97.2Very high118 Ų11855.9 Ų55.951%0.51330%0.3SS..Hα-helixtrans-65.8-52179.4-175.8178.3179.4-176.20111.7I191 S192 T197 F198 D199 L227I191-K195 WeakPolarHBondContact O-CB 3.46Å; I191-K195 PolarHBondContact O-N 2.94Å; S192-K195 PolarHBondContact O-N 2.66Å; K195-T197 VanDerWaalsContact C-N 3.27Å; K195-T197 PolarHBondContact O-N 3.4Å; K195-F198 PolarHBondContact O-N 3.45Å; K195-D199 WeakPolarHBondContact O-CB 3.3Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.31Å; K195-L227 HydrophobicContact CB-CD1 4.27Å; K195-L227 HydrophobicContact CB-CD2 3.96Å
196T98.3Very high97Very high60 Ų6056.6 Ų56.637%0.36830%0.298SS..Hα-helixtrans-57.6-43.8178.4-65.50000111.1S192 D199 E200S192-T196 WeakPolarHBondContact O-CB 3.47Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 PolarHBondContact O-OG1 3.07Å; S192-T196 VanDerWaalsContact O-OG1 3.12Å; T196-D199 PolarHBondContact O-N 3.11Å; T196-E200 HydrophobicContact CG2-CG 4.32Å; T196-E200 WeakPolarHBondContact CG2-OE1 3.39Å; T196-E200 WeakPolarHBondContact O-CB 3.35Å; T196-E200 VanDerWaalsContact O-CG 3.25Å; T196-E200 WeakPolarHBondContact O-CG 3.33Å; T196-E200 PolarHBondContact O-N 3.21Å
197T98.3Very high96.6Very high8 Ų859.3 Ų59.35%0.04931%0.314CS..Hα-helixtrans-63.5-45.1178.2-56.80000111.9L170 A173 L193 K195 A201 L223L170-T197 HydrophobicContact CD2-CG2 3.7Å; A173-T197 HydrophobicContact CB-CG2 3.58Å; A173-T197 WeakPolarHBondContact CB-OG1 3.31Å; L193-T197 WeakPolarHBondContact O-CB 3.29Å; L193-T197 PolarHBondContact O-N 2.87Å; L193-T197 PolarHBondContact O-OG1 3.4Å; K195-T197 VanDerWaalsContact C-N 3.27Å; K195-T197 PolarHBondContact O-N 3.4Å; T197-A201 WeakPolarHBondContact O-CB 3.26Å; T197-A201 PolarHBondContact O-N 3.06Å; T197-L223 HydrophobicContact CG2-CD1 3.96Å
198F98Very high96.3Very high40 Ų4059.4 Ų59.418%0.17531%0.313CS..Hα-helixtrans-61.8-46.6178.7-177.7-92000111.3A194 K195 A201 M202 M220 R224 L227A194-F198 WeakPolarHBondContact O-CB 3.33Å; A194-F198 PolarHBondContact O-N 2.94Å; K195-F198 PolarHBondContact O-N 3.45Å; F198-A201 PolarHBondContact O-N 3.01Å; F198-M202 HydrophobicContact CD1-CG 3.84Å; F198-M202 HydrophobicContact CE1-CG 3.44Å; F198-M202 VanDerWaalsContact CE1-CG 3.44Å; F198-M202 HydrophobicContact CE1-SD 4.28Å; F198-M202 HydrophobicContact CE2-CG 4.23Å; F198-M202 HydrophobicContact CE2-SD 4.44Å; F198-M202 HydrophobicContact CG-CG 4.39Å; F198-M202 HydrophobicContact CZ-CG 3.65Å; F198-M202 HydrophobicContact CZ-SD 3.91Å; F198-M202 VanDerWaalsContact O-CB 3.3Å; F198-M202 WeakPolarHBondContact O-CB 3.03Å; F198-M202 VanDerWaalsContact O-CG 3.27Å; F198-M202 WeakPolarHBondContact O-CG 3.31Å; F198-M202 PolarHBondContact O-N 3.31Å; F198-M220 HydrophobicContact CD2-CB 4.19Å; F198-M220 WeakPolarHBondContact CD2-O 3.3Å; F198-M220 HydrophobicContact CE2-CB 4.13Å; F198-M220 HydrophobicContact CE2-CE 4.48Å; F198-M220 WeakPolarHBondContact CE2-O 3.47Å; F198-R224 HydrophobicContact CD2-CB 4.33Å; F198-R224 HydrophobicContact CE2-CB 3.93Å; F198-R224 HydrophobicContact CZ-CB 4.43Å; F198-L227 HydrophobicContact CB-CD1 4.43Å
199D98.1Very high95.9Very high84 Ų8456.1 Ų56.145%0.44931%0.305SS..Hα-helixtrans-64.4-43.9-179.3-68.9-18.9000111.8K195 T196 M202 A203K195-D199 WeakPolarHBondContact O-CB 3.3Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.31Å; T196-D199 PolarHBondContact O-N 3.11Å; D199-M202 PolarHBondContact O-N 3.2Å; D199-A203 PolarHBondContact O-N 3.41Å
200E97.5Very high95.5Very high69 Ų6959.9 Ų59.932%0.32232%0.322SS..Hα-helixtrans-60.4-46.4175.2-74.2176.2179.800111.6P164 R169 T196 A203 D204P164-E200 HydrophobicContact CB-CB 3.98Å; P164-E200 HydrophobicContact CG-CB 4.43Å; R169-E200 IonicContact CZ-OE2 3.81Å; R169-E200 IonicContact NH2-OE2 2.76Å; R169-E200 PolarHBondContact NH2-OE2 3.4Å; T196-E200 HydrophobicContact CG2-CG 4.32Å; T196-E200 WeakPolarHBondContact CG2-OE1 3.39Å; T196-E200 WeakPolarHBondContact O-CB 3.35Å; T196-E200 VanDerWaalsContact O-CG 3.25Å; T196-E200 WeakPolarHBondContact O-CG 3.33Å; T196-E200 PolarHBondContact O-N 3.21Å; E200-A203 PolarHBondContact O-N 2.69Å; E200-D204 PolarHBondContact O-N 3.47Å
201A97Very high95Very high0 Ų067 Ų670%036%0.36CS..Hα-helixtrans-70.2-34.918000000112.7T165 L170 T197 F198 D204 L205 M220T165-A201 HydrophobicContact CG2-CB 4.5Å; T165-A201 WeakPolarHBondContact CG2-O 3.45Å; L170-A201 HydrophobicContact CD2-CB 3.71Å; T197-A201 WeakPolarHBondContact O-CB 3.26Å; T197-A201 PolarHBondContact O-N 3.06Å; F198-A201 PolarHBondContact O-N 3.01Å; A201-D204 CarbonylContact O-C 3.58Å; A201-D204 PolarHBondContact O-N 2.99Å; A201-L205 WeakPolarHBondContact O-CA 3.18Å; A201-L205 WeakPolarHBondContact O-CB 3.43Å; A201-L205 PolarHBondContact O-N 3.24Å; A201-M220 HydrophobicContact CB-CE 3.81Å; A201-M220 HydrophobicContact CB-CG 4.28Å; A201-M220 HydrophobicContact CB-SD 3.92Å
202M96.1Very high94.7Very high83 Ų8367.2 Ų67.241%0.40936%0.364SS..Hα-helixtrans-63.8-39.7174.1-82.1-57.9-47.100112.1F198 D199 D204 L205 M220F198-M202 HydrophobicContact CD1-CG 3.84Å; F198-M202 HydrophobicContact CE1-CG 3.44Å; F198-M202 VanDerWaalsContact CE1-CG 3.44Å; F198-M202 HydrophobicContact CE1-SD 4.28Å; F198-M202 HydrophobicContact CE2-CG 4.23Å; F198-M202 HydrophobicContact CE2-SD 4.44Å; F198-M202 HydrophobicContact CG-CG 4.39Å; F198-M202 HydrophobicContact CZ-CG 3.65Å; F198-M202 HydrophobicContact CZ-SD 3.91Å; F198-M202 VanDerWaalsContact O-CB 3.3Å; F198-M202 WeakPolarHBondContact O-CB 3.03Å; F198-M202 VanDerWaalsContact O-CG 3.27Å; F198-M202 WeakPolarHBondContact O-CG 3.31Å; F198-M202 PolarHBondContact O-N 3.31Å; D199-M202 PolarHBondContact O-N 3.2Å; M202-D204 VanDerWaalsContact C-N 3.32Å; M202-D204 PolarHBondContact O-N 2.92Å; M202-L205 HydrophobicContact CE-CD2 4.14Å; M202-L205 WeakPolarHBondContact O-CB 3.33Å; M202-L205 PolarHBondContact O-N 3.42Å; M202-L205 HydrophobicContact SD-CD2 4.21Å; M202-M220 HydrophobicContact CB-CE 4.32Å; M202-M220 HydrophobicContact CG-CE 3.59Å; M202-M220 HydrophobicContact SD-CE 3.32Å; M202-M220 WeakPolarHBondContact SD-CE 3.42Å
203A96.8Very high94.4Very high66 Ų6669.7 Ų69.755%0.54536%0.363SS..Hα-helixtrans-62.7-39.8176.600000112D199 E200 H206D199-A203 PolarHBondContact O-N 3.41Å; E200-A203 PolarHBondContact O-N 2.69Å; A203-H206 PolarHBondContact O-CE1 2.83Å; A203-H206 PolarHBondContact O-ND1 3.1Å; A203-H206 VanDerWaalsContact O-ND1 3.12Å
204D95.3Very high94.2Very high59 Ų5976 Ų7632%0.31639%0.39SS..Hα-helixtrans-94.53.8-177-78.63.5000114P164 T165 E200 A201 M202 H206 T207P164-D204 WeakPolarHBondContact CD-OD2 3.27Å; P164-D204 WeakPolarHBondContact CG-OD2 3.46Å; T165-D204 HydrophobicContact CG2-CB 3.8Å; T165-D204 WeakPolarHBondContact CG2-O 3.31Å; E200-D204 PolarHBondContact O-N 3.47Å; A201-D204 CarbonylContact O-C 3.58Å; A201-D204 PolarHBondContact O-N 2.99Å; M202-D204 VanDerWaalsContact C-N 3.32Å; M202-D204 PolarHBondContact O-N 2.92Å; D204-H206 PolarHBondContact O-N 3.09Å; D204-T207 WeakPolarHBondContact O-CB 3.4Å; D204-T207 PolarHBondContact O-N 3.43Å; D204-T207 PolarHBondContact O-OG1 2.93Å
205L92.8Very high94.1Very high38 Ų3880.2 Ų80.220%0.19941%0.412CS..G310 helixtrans-56.6-31.2-173-172.263.8000113.4A201 M202 T207 L208 T217 M220A201-L205 WeakPolarHBondContact O-CA 3.18Å; A201-L205 WeakPolarHBondContact O-CB 3.43Å; A201-L205 PolarHBondContact O-N 3.24Å; M202-L205 HydrophobicContact CE-CD2 4.14Å; M202-L205 WeakPolarHBondContact O-CB 3.33Å; M202-L205 PolarHBondContact O-N 3.42Å; M202-L205 HydrophobicContact SD-CD2 4.21Å; L205-T207 PolarHBondContact O-N 3.15Å; L205-L208 HydrophobicContact CD1-CD2 3.94Å; L205-L208 VanDerWaalsContact O-CB 3.25Å; L205-L208 WeakPolarHBondContact O-CB 3.43Å; L205-L208 PolarHBondContact O-N 3.25Å; L205-T217 HydrophobicContact CD1-CG2 4.14Å; L205-M220 HydrophobicContact CD1-CE 4.32Å; L205-M220 HydrophobicContact CD1-SD 4Å
206H91.2Very high94Very high156 Ų15674.6 Ų74.672%0.72239%0.388SS*.G310 helixtrans-66.5-16.2177.968.9-80.6000114.1A203 D204A203-H206 PolarHBondContact O-CE1 2.83Å; A203-H206 PolarHBondContact O-ND1 3.1Å; A203-H206 VanDerWaalsContact O-ND1 3.12Å; D204-H206 PolarHBondContact O-N 3.09Å
207T89Confident93.9Very high82 Ų8273.7 Ų73.750%0.50338%0.383SS..G310 helixtrans-87.5-8.617968.90000113.2D204 L205D204-T207 WeakPolarHBondContact O-CB 3.4Å; D204-T207 PolarHBondContact O-N 3.43Å; D204-T207 PolarHBondContact O-OG1 2.93Å; L205-T207 PolarHBondContact O-N 3.15Å
208L90Very high93.9Very high26 Ų2678.1 Ų78.114%0.13641%0.405CS..  trans-72.5133.9-169.6-167.255.4000111.7L205 Y213L205-L208 HydrophobicContact CD1-CD2 3.94Å; L205-L208 VanDerWaalsContact O-CB 3.25Å; L205-L208 WeakPolarHBondContact O-CB 3.43Å; L205-L208 PolarHBondContact O-N 3.25Å; L208-Y213 HydrophobicContact CB-CD2 4.47Å; L208-Y213 HydrophobicContact CD2-CD2 3.95Å; L208-Y213 HydrophobicContact CD2-CG 4.45Å; L208-Y213 HydrophobicContact CG-CD2 4.35Å
209S89.2Confident93.9Very high60 Ų6077.5 Ų77.542%0.4240%0.404SS..  trans-72.3156.6174.865.60000111.7D211 S212 Y213S209-D211 PolarHBondContact O-N 3.46Å; S209-S212 PolarHBondContact O-N 2.86Å; S209-S212 PolarHBondContact OG-N 2.93Å; S209-Y213 WeakPolarHBondContact O-CB 3.34Å; S209-Y213 PolarHBondContact O-N 2.91Å
210E88.4Confident93.9Very high181 Ų18173.8 Ų73.885%0.84638%0.384SS*.Hα-helixtrans-56.8-39.5176.3-168.8172.6179.600111.8S212 Y213E210-S212 PolarHBondContact O-N 2.85Å; E210-Y213 PolarHBondContact O-N 3.47Å
211D88.8Confident93.9Very high149 Ų14973.5 Ų73.580%0.79738%0.382SS*.Hα-helixtrans-64.1-35.2-179.3-64.4-28.3000113.4S209S209-D211 PolarHBondContact O-N 3.46Å
212S91.1Very high94Very high35 Ų3577.1 Ų77.125%0.24540%0.401CS..Hα-helixtrans-95.9-11.7179.9-63.60000113.4S209 E210 K214 D215 S216S209-S212 PolarHBondContact O-N 2.86Å; S209-S212 PolarHBondContact OG-N 2.93Å; E210-S212 PolarHBondContact O-N 2.85Å; S212-K214 VanDerWaalsContact C-N 3.35Å; S212-K214 PolarHBondContact O-N 2.88Å; S212-D215 PolarHBondContact O-N 2.71Å; S212-S216 PolarHBondContact O-N 2.8Å; S212-S216 PolarHBondContact O-OG 3.44Å
213Y92.1Very high94.1Very high123 Ų12373.2 Ų73.248%0.48238%0.382SS..Hα-helixtrans-55-49-172-170.2-92000112.7L208 S209 E210 T217L208-Y213 HydrophobicContact CB-CD2 4.47Å; L208-Y213 HydrophobicContact CD2-CD2 3.95Å; L208-Y213 HydrophobicContact CD2-CG 4.45Å; L208-Y213 HydrophobicContact CG-CD2 4.35Å; S209-Y213 WeakPolarHBondContact O-CB 3.34Å; S209-Y213 PolarHBondContact O-N 2.91Å; E210-Y213 PolarHBondContact O-N 3.47Å; Y213-T217 HydrophobicContact CD1-CG2 4.22Å; Y213-T217 HydrophobicContact CE1-CG2 3.92Å; Y213-T217 HydrophobicContact CE2-CG2 4.22Å; Y213-T217 WeakPolarHBondContact O-CB 3.46Å; Y213-T217 VanDerWaalsContact O-CG2 3.25Å; Y213-T217 WeakPolarHBondContact O-CG2 3.39Å; Y213-T217 PolarHBondContact O-N 3.04Å; Y213-T217 PolarHBondContact O-OG1 3.47Å
214K94.5Very high94.1Very high160 Ų16075.7 Ų75.770%0.69638%0.377SS*.Hα-helixtrans-64.3-45.8-176.9-175.1-176.4175.6-171.80112.3S212 T217 L218S212-K214 VanDerWaalsContact C-N 3.35Å; S212-K214 PolarHBondContact O-N 2.88Å; K214-T217 PolarHBondContact O-OG1 3.12Å; K214-L218 WeakPolarHBondContact O-CB 3.44Å; K214-L218 PolarHBondContact O-N 3.48Å; K214-L218 VanDerWaalsContact O-N 3.11Å
215D94.9Very high94.3Very high87 Ų8776.2 Ų76.247%0.46538%0.38SS..Hα-helixtrans-71.3-45.6-175.2-70-14.5000111.1P167 S212 L218 I219P167-D215 HydrophobicContact CB-CB 4.05Å; S212-D215 PolarHBondContact O-N 2.71Å; D215-L218 PolarHBondContact O-N 3.48Å; D215-I219 WeakPolarHBondContact O-CD1 3.32Å; D215-I219 VanDerWaalsContact O-CG1 3.26Å; D215-I219 WeakPolarHBondContact O-CG1 3.33Å; D215-I219 PolarHBondContact O-N 2.82Å
216S96.5Very high94.5Very high0 Ų076 Ų760%038%0.379CS..Hα-helixtrans-65.3-43.4179.1-60.70000112.2T165 S212 L218 I219 M220T165-S216 WeakPolarHBondContact O-CB 3.32Å; T165-S216 PolarHBondContact O-OG 2.96Å; S212-S216 PolarHBondContact O-N 2.8Å; S212-S216 PolarHBondContact O-OG 3.44Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.16Å; S216-I219 PolarHBondContact O-N 3.38Å; S216-M220 WeakPolarHBondContact O-CB 3.27Å; S216-M220 VanDerWaalsContact O-CG 3.23Å; S216-M220 WeakPolarHBondContact O-CG 3.3Å; S216-M220 PolarHBondContact O-N 2.76Å
217T96.6Very high94.8Very high42 Ų4269.8 Ų69.826%0.25835%0.351SS..Hα-helixtrans-66-36.2178.553.20000112.5L205 Y213 K214 M220 Q221L205-T217 HydrophobicContact CD1-CG2 4.14Å; Y213-T217 HydrophobicContact CD1-CG2 4.22Å; Y213-T217 HydrophobicContact CE1-CG2 3.92Å; Y213-T217 HydrophobicContact CE2-CG2 4.22Å; Y213-T217 WeakPolarHBondContact O-CB 3.46Å; Y213-T217 VanDerWaalsContact O-CG2 3.25Å; Y213-T217 WeakPolarHBondContact O-CG2 3.39Å; Y213-T217 PolarHBondContact O-N 3.04Å; Y213-T217 PolarHBondContact O-OG1 3.47Å; K214-T217 PolarHBondContact O-OG1 3.12Å; T217-M220 PolarHBondContact O-N 2.86Å; T217-Q221 WeakPolarHBondContact O-CB 3.46Å; T217-Q221 PolarHBondContact O-N 2.84Å
218L97.6Very high95.1Very high101 Ų10170.4 Ų70.453%0.52936%0.355SS..Hα-helixtrans-61.7-43.5172.3178.562.4000111.5K214 D215 S216 Q221 L222K214-L218 WeakPolarHBondContact O-CB 3.44Å; K214-L218 PolarHBondContact O-N 3.48Å; K214-L218 VanDerWaalsContact O-N 3.11Å; D215-L218 PolarHBondContact O-N 3.48Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.16Å; L218-Q221 WeakPolarHBondContact O-CB 3.39Å; L218-Q221 PolarHBondContact O-N 2.89Å; L218-L222 WeakPolarHBondContact O-CG 3.48Å; L218-L222 PolarHBondContact O-N 2.99Å; L218-L222 VanDerWaalsContact O-N 3.14Å
219I98.1Very high95.4Very high27 Ų2773.7 Ų73.714%0.13837%0.372CS..Hα-helixtrans-69.2-40.4179.1-62.3163.9000111.2P167 L170 L174 D215 S216 Q221 L222 L223P167-I219 HydrophobicContact CB-CD1 4.09Å; P167-I219 VanDerWaalsContact O-CD1 3.26Å; P167-I219 WeakPolarHBondContact O-CD1 3.49Å; L170-I219 HydrophobicContact CB-CB 4.17Å; L170-I219 HydrophobicContact CB-CD1 4.38Å; L170-I219 HydrophobicContact CB-CG2 3.63Å; L174-I219 HydrophobicContact CB-CG2 4.22Å; L174-I219 HydrophobicContact CD2-CG2 4.1Å; D215-I219 WeakPolarHBondContact O-CD1 3.32Å; D215-I219 VanDerWaalsContact O-CG1 3.26Å; D215-I219 WeakPolarHBondContact O-CG1 3.33Å; D215-I219 PolarHBondContact O-N 2.82Å; S216-I219 PolarHBondContact O-N 3.38Å; I219-Q221 VanDerWaalsContact C-N 3.27Å; I219-Q221 PolarHBondContact O-N 3.26Å; I219-L222 WeakPolarHBondContact O-CB 3.25Å; I219-L222 PolarHBondContact O-N 3.01Å; I219-L222 VanDerWaalsContact O-N 3.16Å; I219-L223 PolarHBondContact O-N 3.19Å
220M98Very high95.8Very high6 Ų671.1 Ų71.13%0.0335%0.353CS..Hα-helixtrans-61.1-37.7174.7-70.4170.471.700111.7L170 F198 A201 M202 L205 S216 T217 L223 R224L170-M220 HydrophobicContact CD1-CG 3.98Å; L170-M220 HydrophobicContact CD1-SD 4.39Å; L170-M220 HydrophobicContact CD2-CG 4.18Å; F198-M220 HydrophobicContact CD2-CB 4.19Å; F198-M220 WeakPolarHBondContact CD2-O 3.3Å; F198-M220 HydrophobicContact CE2-CB 4.13Å; F198-M220 HydrophobicContact CE2-CE 4.48Å; F198-M220 WeakPolarHBondContact CE2-O 3.47Å; A201-M220 HydrophobicContact CB-CE 3.81Å; A201-M220 HydrophobicContact CB-CG 4.28Å; A201-M220 HydrophobicContact CB-SD 3.92Å; M202-M220 HydrophobicContact CB-CE 4.32Å; M202-M220 HydrophobicContact CG-CE 3.59Å; M202-M220 HydrophobicContact SD-CE 3.32Å; M202-M220 WeakPolarHBondContact SD-CE 3.42Å; L205-M220 HydrophobicContact CD1-CE 4.32Å; L205-M220 HydrophobicContact CD1-SD 4Å; S216-M220 WeakPolarHBondContact O-CB 3.27Å; S216-M220 VanDerWaalsContact O-CG 3.23Å; S216-M220 WeakPolarHBondContact O-CG 3.3Å; S216-M220 PolarHBondContact O-N 2.76Å; T217-M220 PolarHBondContact O-N 2.86Å; M220-L223 PolarHBondContact O-N 2.95Å; M220-R224 PolarHBondContact O-N 3.26Å
221Q98.1Very high96Very high63 Ų6366.1 Ų66.129%0.29434%0.335SS..Hα-helixtrans-60.8-46173.3177.554.940.400111.4T217 L218 I219 L223 R224 D225T217-Q221 WeakPolarHBondContact O-CB 3.46Å; T217-Q221 PolarHBondContact O-N 2.84Å; L218-Q221 WeakPolarHBondContact O-CB 3.39Å; L218-Q221 PolarHBondContact O-N 2.89Å; I219-Q221 VanDerWaalsContact C-N 3.27Å; I219-Q221 PolarHBondContact O-N 3.26Å; Q221-L223 PolarHBondContact O-N 3.33Å; Q221-R224 WeakPolarHBondContact O-CB 3.48Å; Q221-R224 PolarHBondContact O-N 2.94Å; Q221-D225 PolarHBondContact NE2-OD1 3.37Å; Q221-D225 PolarHBondContact NE2-OD2 3.3Å; Q221-D225 PolarHBondContact O-N 2.84Å
222L98.4Very high96.2Very high76 Ų7662 Ų6240%0.39832%0.321SS..Hα-helixtrans-62.9-40.5176.5-66172000112.5L174 L218 I219 R224 D225 N226L174-L222 HydrophobicContact CD1-CB 4.11Å; L174-L222 HydrophobicContact CD2-CB 3.89Å; L174-L222 HydrophobicContact CD2-CD1 3.85Å; L218-L222 WeakPolarHBondContact O-CG 3.48Å; L218-L222 PolarHBondContact O-N 2.99Å; L218-L222 VanDerWaalsContact O-N 3.14Å; I219-L222 WeakPolarHBondContact O-CB 3.25Å; I219-L222 PolarHBondContact O-N 3.01Å; I219-L222 VanDerWaalsContact O-N 3.16Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 2.89Å; L222-D225 PolarHBondContact O-N 3.45Å; L222-N226 PolarHBondContact O-N 3.35Å
223L98.3Very high95.9Very high0 Ų063.5 Ų63.50%033%0.327CS..Hα-helixtrans-59-45173.9-78.2168.7000111.5L170 L174 A194 T197 I219 M220 Q221 D225 N226 L227L170-L223 HydrophobicContact CD2-CD1 4.27Å; L174-L223 HydrophobicContact CB-CD2 3.95Å; L174-L223 HydrophobicContact CB-CG 4.24Å; L174-L223 HydrophobicContact CD1-CD2 3.95Å; L174-L223 HydrophobicContact CD1-CG 4.18Å; A194-L223 HydrophobicContact CB-CD2 3.95Å; T197-L223 HydrophobicContact CG2-CD1 3.96Å; I219-L223 PolarHBondContact O-N 3.19Å; M220-L223 PolarHBondContact O-N 2.95Å; Q221-L223 PolarHBondContact O-N 3.33Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 2.65Å; L223-N226 PolarHBondContact O-N 2.97Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 3.4Å
224R97.8Very high95.4Very high118 Ų11859.4 Ų59.445%0.44531%0.313SS..Hα-helixtrans-63.2-40.6177.4-172-172.274.1-174.45.1112.3F198 M220 Q221 L222 L227 T228F198-R224 HydrophobicContact CD2-CB 4.33Å; F198-R224 HydrophobicContact CE2-CB 3.93Å; F198-R224 HydrophobicContact CZ-CB 4.43Å; M220-R224 PolarHBondContact O-N 3.26Å; Q221-R224 WeakPolarHBondContact O-CB 3.48Å; Q221-R224 PolarHBondContact O-N 2.94Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 2.89Å; R224-L227 PolarHBondContact O-N 3.47Å; R224-T228 PolarHBondContact O-N 2.83Å; R224-T228 PolarHBondContact O-OG1 2.95Å
225D98.1Very high94.6Very high70 Ų7054.8 Ų54.837%0.37431%0.305SS..Hα-helixtrans-67-42.5-179.3-65.1-13.3000110.5Q221 L222 L223 T228 L229Q221-D225 PolarHBondContact NE2-OD1 3.37Å; Q221-D225 PolarHBondContact NE2-OD2 3.3Å; Q221-D225 PolarHBondContact O-N 2.84Å; L222-D225 PolarHBondContact O-N 3.45Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 2.65Å; D225-T228 PolarHBondContact O-N 3.09Å; D225-L229 PolarHBondContact O-N 3.17Å
226N97.2Very high93.2Very high35 Ų3553.4 Ų53.419%0.18731%0.312CS..Hα-helixtrans-60.5-45.4171.8-761.1000112.4L174 L222 L223 T228 L229 W230L174-N226 WeakPolarHBondContact CD1-ND2 3.21Å; L222-N226 PolarHBondContact O-N 3.35Å; L223-N226 PolarHBondContact O-N 2.97Å; N226-T228 VanDerWaalsContact C-N 3.27Å; N226-T228 PolarHBondContact O-N 3.26Å; N226-L229 PolarHBondContact O-N 3.45Å; N226-W230 HydrophobicContact CB-CD2 4.14Å; N226-W230 HydrophobicContact CB-CE3 3.98Å; N226-W230 HydrophobicContact CB-CH2 3.67Å; N226-W230 HydrophobicContact CB-CZ2 3.82Å; N226-W230 HydrophobicContact CB-CZ3 3.74Å; N226-W230 WeakPolarHBondContact ND2-CH2 3.25Å; N226-W230 WeakPolarHBondContact O-CB 3.45Å; N226-W230 VanDerWaalsContact O-CD2 3.31Å; N226-W230 PolarHBondContact O-N 3.45Å
227L97.2Very high91.4Very high24 Ų2461.2 Ų61.213%0.12635%0.348CS..Hα-helixtrans-58.1-41.4176.6-78168.7000112I191 A194 K195 F198 L223 R224 T231I191-L227 HydrophobicContact CB-CD2 4.45Å; I191-L227 HydrophobicContact CG2-CD2 3.94Å; I191-L227 WeakPolarHBondContact O-CD2 3.4Å; A194-L227 HydrophobicContact CB-CD1 4.33Å; A194-L227 HydrophobicContact CB-CD2 3.73Å; A194-L227 HydrophobicContact CB-CG 3.85Å; K195-L227 HydrophobicContact CB-CD1 4.27Å; K195-L227 HydrophobicContact CB-CD2 3.96Å; F198-L227 HydrophobicContact CB-CD1 4.43Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 3.4Å; R224-L227 PolarHBondContact O-N 3.47Å; L227-T231 WeakPolarHBondContact O-CB 3.5Å; L227-T231 PolarHBondContact O-N 3.49Å; L227-T231 PolarHBondContact O-OG1 3.24Å
228T96.6Very high89.2Confident95 Ų9567.5 Ų67.558%0.58338%0.375SS*.Hα-helixtrans-64.2-46.3179-56.70000110.7R224 D225 N226 A232R224-T228 PolarHBondContact O-N 2.83Å; R224-T228 PolarHBondContact O-OG1 2.95Å; D225-T228 PolarHBondContact O-N 3.09Å; N226-T228 VanDerWaalsContact C-N 3.27Å; N226-T228 PolarHBondContact O-N 3.26Å; T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.13Å
229L96.1Very high86.6Confident96 Ų9665.7 Ų65.750%0.50338%0.38SS..Hα-helixtrans-61.6-56.4178.6-178.566.2000111.2D225 N226 T231 A232 D233D225-L229 PolarHBondContact O-N 3.17Å; N226-L229 PolarHBondContact O-N 3.45Å; L229-T231 VanDerWaalsContact C-N 3.35Å; L229-T231 PolarHBondContact O-N 2.93Å; L229-A232 WeakPolarHBondContact O-CB 3.32Å; L229-A232 PolarHBondContact O-N 3Å; L229-A232 VanDerWaalsContact O-N 3.13Å; L229-D233 PolarHBondContact O-N 2.79Å; L229-D233 VanDerWaalsContact O-N 3.07Å
230W96.9Very high83.8Confident6 Ų667.8 Ų67.82%0.02341%0.409CS..Hα-helixtrans-68.9-31.1-173-57.7-27.5000113.5V178 Y181 A190 I191 A194 N226 A232 N234V178-W230 HydrophobicContact CG2-CH2 3.97Å; V178-W230 HydrophobicContact CG2-CZ2 4.03Å; Y181-W230 AromaticContact CD1-CD1 3.85Å; Y181-W230 AromaticContact CD1-CE2 3.94Å; Y181-W230 HydrophobicContact CD1-CZ2 4.45Å; Y181-W230 AromaticContact CD1-NE1 3.44Å; Y181-W230 HydrophobicContact CD2-CB 4.03Å; Y181-W230 AromaticContact CD2-CD1 3.59Å; Y181-W230 AromaticContact CD2-CD2 3.72Å; Y181-W230 HydrophobicContact CD2-CD2 3.72Å; Y181-W230 AromaticContact CD2-CE2 3.88Å; Y181-W230 HydrophobicContact CD2-CE3 4.41Å; Y181-W230 AromaticContact CD2-CG 3.52Å; Y181-W230 HydrophobicContact CD2-CG 3.52Å; Y181-W230 AromaticContact CD2-NE1 3.79Å; Y181-W230 AromaticContact CE1-CD1 3.54Å; Y181-W230 HydrophobicContact CE1-CG 4.42Å; Y181-W230 AromaticContact CE1-NE1 3.52Å; Y181-W230 HydrophobicContact CE2-CB 3.64Å; Y181-W230 AromaticContact CE2-CD1 3.27Å; Y181-W230 HydrophobicContact CE2-CD2 4.12Å; Y181-W230 AromaticContact CE2-CG 3.41Å; Y181-W230 HydrophobicContact CE2-CG 3.41Å; Y181-W230 VanDerWaalsContact CE2-CG 3.41Å; Y181-W230 AromaticContact CE2-NE1 3.88Å; Y181-W230 AromaticContact CG-CD1 3.87Å; Y181-W230 AromaticContact CG-CD2 3.99Å; Y181-W230 HydrophobicContact CG-CD2 3.99Å; Y181-W230 AromaticContact CG-CE2 3.65Å; Y181-W230 HydrophobicContact CG-CG 4.11Å; Y181-W230 HydrophobicContact CG-CZ2 4.12Å; Y181-W230 AromaticContact CG-NE1 3.57Å; Y181-W230 AromaticContact CZ-CD1 3.25Å; Y181-W230 AromaticContact CZ-CG 3.89Å; Y181-W230 AromaticContact CZ-NE1 3.75Å; A190-W230 HydrophobicContact CB-CE3 4.27Å; A190-W230 HydrophobicContact CB-CZ3 4.12Å; I191-W230 HydrophobicContact CD1-CB 4.06Å; I191-W230 HydrophobicContact CG1-CB 3.9Å; I191-W230 HydrophobicContact CG1-CE3 4.44Å; A194-W230 HydrophobicContact CB-CZ3 4.36Å; N226-W230 HydrophobicContact CB-CD2 4.14Å; N226-W230 HydrophobicContact CB-CE3 3.98Å; N226-W230 HydrophobicContact CB-CH2 3.67Å; N226-W230 HydrophobicContact CB-CZ2 3.82Å; N226-W230 HydrophobicContact CB-CZ3 3.74Å; N226-W230 WeakPolarHBondContact ND2-CH2 3.25Å; N226-W230 WeakPolarHBondContact O-CB 3.45Å; N226-W230 VanDerWaalsContact O-CD2 3.31Å; N226-W230 PolarHBondContact O-N 3.45Å; W230-A232 VanDerWaalsContact C-N 3.34Å; W230-N234 PolarHBondContact O-N 2.76Å; W230-N234 VanDerWaalsContact O-N 3.1Å; W230-N234 PolarHBondContact O-OD1 3.09Å
231T93.4Very high81Confident75 Ų7576.2 Ų76.246%0.4645%0.448SS..Hα-helixtrans-70.1-34.2174.7-53.30000111.4L227 L229 A235L227-T231 WeakPolarHBondContact O-CB 3.5Å; L227-T231 PolarHBondContact O-N 3.49Å; L227-T231 PolarHBondContact O-OG1 3.24Å; L229-T231 VanDerWaalsContact C-N 3.35Å; L229-T231 PolarHBondContact O-N 2.93Å; T231-A235 WeakPolarHBondContact O-CB 3.37Å; T231-A235 PolarHBondContact O-N 2.96Å; T231-A235 VanDerWaalsContact O-N 3.15Å
232A92.1Very high78.3Confident62 Ų6277.3 Ų77.351%0.51247%0.468SS..Hα-helixtrans-69.3-41175.900000111.6T228 L229 W230 A235 G236T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.13Å; L229-A232 WeakPolarHBondContact O-CB 3.32Å; L229-A232 PolarHBondContact O-N 3Å; L229-A232 VanDerWaalsContact O-N 3.13Å; W230-A232 VanDerWaalsContact C-N 3.34Å; A232-A235 PolarHBondContact O-N 2.65Å; A232-G236 PolarHBondContact O-N 3.29Å
233D86Confident75.7Confident68 Ų6879.5 Ų79.536%0.36449%0.486SS..Hα-helixtrans-62.6-47.3177.6-65-23.5000111.1Y181 L229 A235 G236 E237Y181-D233 PolarHBondContact OH-OD2 3.11Å; Y181-D233 VanDerWaalsContact OH-OD2 3.1Å; L229-D233 PolarHBondContact O-N 2.79Å; L229-D233 VanDerWaalsContact O-N 3.07Å; D233-A235 PolarHBondContact O-N 3.37Å; D233-G236 PolarHBondContact O-N 3.48Å; D233-G236 VanDerWaalsContact O-N 3.16Å; D233-E237 PolarHBondContact O-N 2.94Å
234N80.1Confident73Confident36 Ų3688.5 Ų88.519%0.19353%0.528CS..Hα-helixtrans-65-35.7178.3-78.325.9000113.2W230 G236 E237 E238W230-N234 PolarHBondContact O-N 2.76Å; W230-N234 VanDerWaalsContact O-N 3.1Å; W230-N234 PolarHBondContact O-OD1 3.09Å; N234-G236 VanDerWaalsContact C-N 3.27Å; N234-G236 PolarHBondContact O-N 3.42Å; N234-E237 PolarHBondContact O-N 3.4Å; N234-E238 PolarHBondContact O-N 3.27Å
235A77.8Confident70.4Confident64 Ų6491.5 Ų91.553%0.52955%0.548SS..Hα-helixtrans-68.6-27176.400000112.7T231 A232 D233T231-A235 WeakPolarHBondContact O-CB 3.37Å; T231-A235 PolarHBondContact O-N 2.96Å; T231-A235 VanDerWaalsContact O-N 3.15Å; A232-A235 PolarHBondContact O-N 2.65Å; D233-A235 PolarHBondContact O-N 3.37Å
236G66.6Low68Low58 Ų5894.1 Ų94.160%0.59857%0.568SS**Hα-helixtrans-70.2-31174.700000113.3A232 D233 N234A232-G236 PolarHBondContact O-N 3.29Å; D233-G236 PolarHBondContact O-N 3.48Å; D233-G236 VanDerWaalsContact O-N 3.16Å; N234-G236 VanDerWaalsContact C-N 3.27Å; N234-G236 PolarHBondContact O-N 3.42Å
237E57.8Low65.7Low164 Ų164101.7 Ų101.777%0.76660%0.602SS**Hα-helixtrans-76.9-31.9179.1-65.3-170.7168.900112.9D233 N234 G239D233-E237 PolarHBondContact O-N 2.94Å; N234-E237 PolarHBondContact O-N 3.4Å; E237-G239 VanDerWaalsContact C-N 3.29Å; E237-G239 PolarHBondContact O-N 3.05Å
238E51.1Low63.7Low174 Ų174109.5 Ų109.581%0.81366%0.659SS**Hα-helixtrans-75.4-14.1175.7-68.6-170.4164.500113.6N234 G240N234-E238 PolarHBondContact O-N 3.27Å; E238-G240 PolarHBondContact O-N 3.25Å; E238-G240 VanDerWaalsContact O-N 3.16Å
239G43.5Very low62.1Low62 Ų62110.3 Ų110.364%0.63966%0.663SS**THydrogen-bonded Turntrans-75.75.7-17700000116.3E237 E241E237-G239 VanDerWaalsContact C-N 3.29Å; E237-G239 PolarHBondContact O-N 3.05Å; G239-E241 VanDerWaalsContact C-N 3.25Å; G239-E241 PolarHBondContact O-N 3.04Å; G239-E241 VanDerWaalsContact O-N 3.17Å
240G37.7Very low60.3Low72 Ų72111 Ų11174%0.74267%0.672SS**  trans-81.736.6179.100000115.1E238 A242E238-G240 PolarHBondContact O-N 3.25Å; E238-G240 VanDerWaalsContact O-N 3.16Å; G240-A242 PolarHBondContact O-N 2.9Å; G240-A242 VanDerWaalsContact O-N 3.08Å
241E39.2Very low58.3Low183 Ų183116.8 Ų116.886%0.85571%0.708SS**  trans-72.999.8165.5-78.4-168.7161.800108.7G239G239-E241 VanDerWaalsContact C-N 3.25Å; G239-E241 PolarHBondContact O-N 3.04Å; G239-E241 VanDerWaalsContact O-N 3.17Å
242A42.2Very low56.2Low86 Ų86119.3 Ų119.371%0.71172%0.722SS**  trans-52.1131.9172.300000109.7G240 Q244G240-A242 PolarHBondContact O-N 2.9Å; G240-A242 VanDerWaalsContact O-N 3.08Å; A242-Q244 PolarHBondContact O-N 3.47Å; A242-Q244 VanDerWaalsContact O-N 3.15Å
243P43.3Very low54Low122 Ų122122.9 Ų122.979%0.79274%0.735SS**  trans-57.1123.7179.3-20.730.6000109.9E245P243-E245 PolarHBondContact O-N 3.37Å
244Q42.9Very low51.8Low189 Ų189126.5 Ų126.588%0.88376%0.76SS**  trans-60.4110.2166.4-71.9-177.38.100107.8A242A242-Q244 PolarHBondContact O-N 3.47Å; A242-Q244 VanDerWaalsContact O-N 3.15Å
245E43.4Very low49.8Very low181 Ų181133 Ų13385%0.84680%0.801SS**PPolyproline II helixtrans-60.3131.8175.5-74.5-172.1158.800109.9P243 Q247P243-E245 PolarHBondContact O-N 3.37Å; E245-Q247 PolarHBondContact O-N 3.12Å
246P47.2Very low47.7Very low124 Ų124138.3 Ų138.381%0.80582%0.821SS**PPolyproline II helixtrans-68.1126.7177.325.4-30000110S248P246-S248 PolarHBondContact O-N 3.4Å
247Q49Very low46.1Very low194 Ų194145 Ų14591%0.90784%0.84SS**PPolyproline II helixtrans-60.8130172.4-70.3-179-5.800110E245E245-Q247 PolarHBondContact O-N 3.12Å
248S55.6Low45Very low189 Ų189143.3 Ų143.3100%1.32285%0.847SS**  trans-54.50-178.8580000115.1P246P246-S248 PolarHBondContact O-N 3.4Å

Retrieved 248 of 248 residues in 234.2 ms (Link to these results)