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Isoform 2 of 14-3-3 protein sigma AlphaSync

Canonical isoform description: 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 P31947-2 (canonical: P31947), Species HUMAN (Homo sapiens, Human), Gene SFN, Length 216 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
1M78.5Confident94.2Very high114 Ų11464.2 Ų64.256%0.56233%0.331SS*.  0132.50-167176.9-53.100107.7L6 K9 K32M1-L6 HydrophobicContact CB-CD2 4.46Å; M1-L6 HydrophobicContact CB-CG 4.37Å; M1-L6 HydrophobicContact CG-CD2 4.3Å; M1-L6 HydrophobicContact CG-CG 4.12Å; M1-L6 HydrophobicContact SD-CD2 3.62Å; M1-L6 HydrophobicContact SD-CG 3.96Å; M1-K9 HydrophobicContact CE-CD 4.25Å; M1-K9 HydrophobicContact SD-CD 3.71Å; M1-K32 WeakPolarHBondContact O-CE 3.43Å
2E91.5Very high94.5Very high148 Ų14867 Ų6769%0.69235%0.346SS*.  trans-67.3149.9179.4-64.9-53125.800111.8A4 S5 L6E2-A4 VanDerWaalsContact C-N 3.31Å; E2-A4 PolarHBondContact O-N 3.27Å; E2-S5 WeakPolarHBondContact O-CB 3.47Å; E2-S5 PolarHBondContact O-N 3.45Å; E2-L6 PolarHBondContact O-N 3.04Å; E2-L6 VanDerWaalsContact O-N 3.1Å
3R92.3Very high94.7Very high28 Ų2862.2 Ų62.211%0.10632%0.322CS..Hα-helixtrans-54-46.7179.2-172.7-177.3176.4-824.3111.8S5 L6 I7 A29 K32 E34 E35 E40R3-S5 VanDerWaalsContact C-N 3.28Å; R3-S5 PolarHBondContact O-N 3.45Å; R3-L6 WeakPolarHBondContact O-CB 3.37Å; R3-L6 PolarHBondContact O-N 3.36Å; R3-L6 VanDerWaalsContact O-N 3.09Å; R3-I7 WeakPolarHBondContact O-CG1 3.33Å; R3-I7 PolarHBondContact O-N 3.3Å; R3-A29 HydrophobicContact CG-CB 4.34Å; R3-K32 HydrophobicContact CB-CB 4.38Å; R3-K32 HydrophobicContact CB-CG 4.09Å; R3-K32 HydrophobicContact CG-CB 4.4Å; R3-K32 HydrophobicContact CG-CG 4.4Å; R3-E34 WeakPolarHBondContact CD-OE1 3.24Å; R3-E34 WeakPolarHBondContact CD-OE2 3.36Å; R3-E34 IonicContact CZ-OE2 3.66Å; R3-E34 IonicContact NE-OE2 2.7Å; R3-E34 PolarHBondContact NE-OE2 3.06Å; R3-E34 IonicContact NH1-OE2 3.33Å; R3-E35 PolarHBondContact NH2-O 3.42Å; R3-E40 IonicContact CZ-OE1 3.52Å; R3-E40 IonicContact CZ-OE2 2.87Å; R3-E40 IonicContact NH1-OE1 2.68Å; R3-E40 PolarHBondContact NH1-OE1 3.36Å; R3-E40 IonicContact NH1-OE2 2.67Å; R3-E40 IonicContact NH2-OE1 3.96Å; R3-E40 PolarHBondContact NH2-OE1 2.87Å; R3-E40 IonicContact NH2-OE2 3.01Å; R3-E40 PolarHBondContact NH2-OE2 3.01Å
4A93.6Very high95Very high75 Ų7562.4 Ų62.462%0.6232%0.321SS*.Hα-helixtrans-59-3817800000112.9E2 I7 Q8E2-A4 VanDerWaalsContact C-N 3.31Å; E2-A4 PolarHBondContact O-N 3.27Å; A4-I7 PolarHBondContact O-N 2.86Å; A4-Q8 PolarHBondContact O-N 3.37Å
5S96Very high95.1Very high42 Ų4268.4 Ų68.429%0.29435%0.347SS..Hα-helixtrans-68.3-37.5176.9-179.20000111.6E2 R3 Q8 K9E2-S5 WeakPolarHBondContact O-CB 3.47Å; E2-S5 PolarHBondContact O-N 3.45Å; R3-S5 VanDerWaalsContact C-N 3.28Å; R3-S5 PolarHBondContact O-N 3.45Å; S5-Q8 PolarHBondContact O-N 2.62Å; S5-K9 WeakPolarHBondContact O-CG 3.28Å; S5-K9 PolarHBondContact O-N 3.48Å
6L97Very high95.2Very high16 Ų1667.9 Ų67.98%0.08436%0.357CS..Hα-helixtrans-64.6-45.5175.4-70162.3000111.6M1 E2 R3 Q8 K9 A10 F25 G28 A29M1-L6 HydrophobicContact CB-CD2 4.46Å; M1-L6 HydrophobicContact CB-CG 4.37Å; M1-L6 HydrophobicContact CG-CD2 4.3Å; M1-L6 HydrophobicContact CG-CG 4.12Å; M1-L6 HydrophobicContact SD-CD2 3.62Å; M1-L6 HydrophobicContact SD-CG 3.96Å; E2-L6 PolarHBondContact O-N 3.04Å; E2-L6 VanDerWaalsContact O-N 3.1Å; R3-L6 WeakPolarHBondContact O-CB 3.37Å; R3-L6 PolarHBondContact O-N 3.36Å; R3-L6 VanDerWaalsContact O-N 3.09Å; L6-Q8 VanDerWaalsContact C-N 3.34Å; L6-Q8 PolarHBondContact O-N 2.94Å; L6-K9 PolarHBondContact O-N 3.44Å; L6-A10 PolarHBondContact O-N 3Å; L6-F25 HydrophobicContact CD2-CD1 4.07Å; L6-G28 WeakPolarHBondContact CD1-O 3.39Å; L6-A29 HydrophobicContact CB-CB 4.03Å
7I96.9Very high95.3Very high11 Ų1172.4 Ų72.46%0.05638%0.375CS..Hα-helixtrans-61.6-42.5176.3-61.8-54.3000111.4R3 A4 K9 A10 K11 M26 A29 E40 L43R3-I7 WeakPolarHBondContact O-CG1 3.33Å; R3-I7 PolarHBondContact O-N 3.3Å; A4-I7 PolarHBondContact O-N 2.86Å; I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.37Å; I7-A10 WeakPolarHBondContact O-CB 3.3Å; I7-A10 PolarHBondContact O-N 3.16Å; I7-K11 WeakPolarHBondContact O-CG 3.44Å; I7-K11 PolarHBondContact O-N 3.41Å; I7-M26 HydrophobicContact CD1-CE 3.75Å; I7-M26 HydrophobicContact CD1-SD 3.64Å; I7-A29 HydrophobicContact CD1-CB 3.55Å; I7-A29 HydrophobicContact CG1-CB 4.26Å; I7-E40 HydrophobicContact CD1-CB 4.4Å; I7-E40 HydrophobicContact CD1-CG 3.86Å; I7-E40 HydrophobicContact CG1-CG 4.22Å; I7-E40 HydrophobicContact CG2-CG 4.23Å; I7-L43 HydrophobicContact CG2-CD1 4.19Å
8Q96.9Very high95.4Very high130 Ų13076.2 Ų76.261%0.60738%0.384SS*.Hα-helixtrans-62.1-41.8175.9-172.4179.94.200111.9A4 S5 L6 K11 L12A4-Q8 PolarHBondContact O-N 3.37Å; S5-Q8 PolarHBondContact O-N 2.62Å; L6-Q8 VanDerWaalsContact C-N 3.34Å; L6-Q8 PolarHBondContact O-N 2.94Å; Q8-K11 PolarHBondContact O-N 2.95Å; Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.06Å
9K97.8Very high95.5Very high76 Ų7675.4 Ų75.433%0.3338%0.376SS..Hα-helixtrans-65.9-36.7175.4-73.6-173.8-177.2-1640112.7M1 S5 L6 I7 L12 A13 F25M1-K9 HydrophobicContact CE-CD 4.25Å; M1-K9 HydrophobicContact SD-CD 3.71Å; S5-K9 WeakPolarHBondContact O-CG 3.28Å; S5-K9 PolarHBondContact O-N 3.48Å; L6-K9 PolarHBondContact O-N 3.44Å; I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.37Å; K9-L12 PolarHBondContact O-N 3.32Å; K9-A13 WeakPolarHBondContact O-CB 3.26Å; K9-A13 PolarHBondContact O-N 3.4Å; K9-F25 HydrophobicContact CB-CB 4.46Å; K9-F25 HydrophobicContact CB-CD1 3.98Å; K9-F25 HydrophobicContact CB-CD2 3.62Å; K9-F25 HydrophobicContact CB-CE1 4.11Å; K9-F25 HydrophobicContact CB-CE2 3.75Å; K9-F25 HydrophobicContact CB-CG 3.76Å; K9-F25 HydrophobicContact CB-CZ 4.01Å; K9-F25 HydrophobicContact CD-CD1 4.12Å; K9-F25 HydrophobicContact CD-CE1 3.69Å; K9-F25 HydrophobicContact CD-CE2 4.5Å; K9-F25 HydrophobicContact CD-CZ 3.91Å
10A97.9Very high95.6Very high0 Ų078.5 Ų78.50%039%0.39CS..Hα-helixtrans-61.4-43.6173.900000111.6L6 I7 L12 A13 E14 M22 F25 M26L6-A10 PolarHBondContact O-N 3Å; I7-A10 WeakPolarHBondContact O-CB 3.3Å; I7-A10 PolarHBondContact O-N 3.16Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 2.73Å; A10-A13 PolarHBondContact O-N 3.28Å; A10-E14 PolarHBondContact O-N 3.34Å; A10-M22 HydrophobicContact CB-CG 4.29Å; A10-F25 HydrophobicContact CB-CB 4.04Å; A10-M26 HydrophobicContact CB-CG 3.72Å; A10-M26 HydrophobicContact CB-SD 3.5Å; A10-M26 WeakPolarHBondContact CB-SD 3.48Å
11K97.5Very high95.7Very high66 Ų6677.1 Ų77.129%0.28738%0.384SS..Hα-helixtrans-62.1-39.9174.8-68.4-179.6-178.8-1700112.4I7 Q8 Q15 E39 L43I7-K11 WeakPolarHBondContact O-CG 3.44Å; I7-K11 PolarHBondContact O-N 3.41Å; Q8-K11 PolarHBondContact O-N 2.95Å; K11-Q15 WeakPolarHBondContact O-CG 3.46Å; K11-Q15 PolarHBondContact O-N 2.78Å; K11-E39 VanDerWaalsContact CE-OE1 3.27Å; K11-E39 WeakPolarHBondContact CE-OE1 3.43Å; K11-E39 IonicContact NZ-OE1 2.77Å; K11-E39 PolarHBondContact NZ-OE1 3.42Å; K11-E39 IonicContact NZ-OE2 3.44Å; K11-E39 PolarHBondContact NZ-OE2 3.14Å; K11-L43 HydrophobicContact CD-CD1 4.49Å; K11-L43 HydrophobicContact CG-CD1 3.83Å; K11-L43 HydrophobicContact CG-CD2 4.12Å
12L97.9Very high96.6Very high98 Ų9871.7 Ų71.751%0.51336%0.357SS..Hα-helixtrans-66.9-40.7174.7-69.5171.5000112.1Q8 K9 A10 E14 Q15 A16Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.06Å; K9-L12 PolarHBondContact O-N 3.32Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 2.73Å; L12-E14 VanDerWaalsContact C-N 3.35Å; L12-Q15 PolarHBondContact O-N 3.4Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.24Å
13A97.8Very high96.9Very high5 Ų565 Ų654%0.04133%0.327CS..Hα-helixtrans-65.4-38.1177.400000111.8K9 A10 A16 E17 R18 D21 M22 F25K9-A13 WeakPolarHBondContact O-CB 3.26Å; K9-A13 PolarHBondContact O-N 3.4Å; A10-A13 PolarHBondContact O-N 3.28Å; A13-A16 CarbonylContact O-C 3.51Å; A13-A16 PolarHBondContact O-N 3.38Å; A13-E17 PolarHBondContact O-N 2.87Å; A13-E17 VanDerWaalsContact O-N 3.09Å; A13-R18 HydrophobicContact CB-CB 4.43Å; A13-R18 PolarHBondContact O-N 3.3Å; A13-D21 HydrophobicContact CB-CB 4.13Å; A13-M22 HydrophobicContact CB-CB 3.8Å; A13-M22 HydrophobicContact CB-CG 4.46Å; A13-F25 HydrophobicContact CB-CD2 4.15Å; A13-F25 HydrophobicContact CB-CE2 4.21Å
14E97.7Very high97.1Very high64 Ų6466.6 Ų66.630%0.29935%0.346SS..Hα-helixtrans-57.7-50.7171.7-175.3-179.3-143.700111.3A10 L12 A16 E17 M22 L43A10-E14 PolarHBondContact O-N 3.34Å; L12-E14 VanDerWaalsContact C-N 3.35Å; E14-A16 PolarHBondContact O-N 2.96Å; E14-E17 PolarHBondContact O-N 2.94Å; E14-M22 HydrophobicContact CB-CE 3.78Å; E14-M22 HydrophobicContact CB-SD 3.77Å; E14-M22 HydrophobicContact CG-CE 3.97Å; E14-M22 HydrophobicContact CG-SD 4.17Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.34Å
15Q97.1Very high97.3Very high153 Ų15365.5 Ų65.572%0.71533%0.328SS*.Hα-helixtrans-63.2-29.1178.7-70.5177.70.300113.1K11 L12 E17K11-Q15 WeakPolarHBondContact O-CG 3.46Å; K11-Q15 PolarHBondContact O-N 2.78Å; L12-Q15 PolarHBondContact O-N 3.4Å; Q15-E17 VanDerWaalsContact C-N 3.32Å
16A97.4Very high97.4Very high61 Ų6163.5 Ų63.550%0.50431%0.314SS..THydrogen-bonded Turntrans-87.92.3176.300000113.3L12 A13 E14 R18L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.24Å; A13-A16 CarbonylContact O-C 3.51Å; A13-A16 PolarHBondContact O-N 3.38Å; E14-A16 PolarHBondContact O-N 2.96Å; A16-R18 HydrophobicContact CB-CG 4.04Å; A16-R18 PolarHBondContact O-N 3.4Å; A16-R18 VanDerWaalsContact O-N 3.13Å
17E96.6Very high97.4Very high143 Ų14367.9 Ų67.967%0.66833%0.332SS*.THydrogen-bonded Turntrans54.326.4-173.6-56.9-171.9-170.500113.8A13 E14 Q15 Y19A13-E17 PolarHBondContact O-N 2.87Å; A13-E17 VanDerWaalsContact O-N 3.09Å; E14-E17 PolarHBondContact O-N 2.94Å; Q15-E17 VanDerWaalsContact C-N 3.32Å; E17-Y19 HydrophobicContact CB-CE2 3.88Å; E17-Y19 HydrophobicContact CG-CE2 4.49Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 3.45Å
18R97.6Very high97.3Very high141 Ų14168 Ų6853%0.53234%0.337SS..  trans-9169.4176.8-66.6179.763.297.28.8109.7A13 A16 E20 D21 M22A13-R18 HydrophobicContact CB-CB 4.43Å; A13-R18 PolarHBondContact O-N 3.3Å; A16-R18 HydrophobicContact CB-CG 4.04Å; A16-R18 PolarHBondContact O-N 3.4Å; A16-R18 VanDerWaalsContact O-N 3.13Å; R18-E20 VanDerWaalsContact C-N 3.31Å; R18-E20 PolarHBondContact O-N 3.24Å; R18-D21 HydrophobicContact CB-CB 4.12Å; R18-D21 IonicContact CZ-OD2 3.83Å; R18-D21 IonicContact NE-OD1 3.24Å; R18-D21 IonicContact NE-OD2 3.96Å; R18-D21 PolarHBondContact NE-OD2 2.95Å; R18-D21 IonicContact NH2-OD1 2.75Å; R18-D21 PolarHBondContact NH2-OD1 3.2Å; R18-D21 IonicContact NH2-OD2 3.45Å; R18-D21 PolarHBondContact NH2-OD2 3.34Å; R18-D21 WeakPolarHBondContact O-CB 3.39Å; R18-D21 PolarHBondContact O-N 3.44Å; R18-M22 PolarHBondContact O-N 3Å
19Y97.4Very high97.3Very high62 Ų6261.9 Ų61.924%0.24331%0.308CS..Hα-helixtrans-66.8-27.3-170.9-56.9-70.2000114.6E17 M22 A23 N50 V51E17-Y19 HydrophobicContact CB-CE2 3.88Å; E17-Y19 HydrophobicContact CG-CE2 4.49Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 3.45Å; Y19-M22 HydrophobicContact CD1-SD 4.17Å; Y19-M22 PolarHBondContact O-N 3.03Å; Y19-A23 WeakPolarHBondContact O-CB 3.3Å; Y19-A23 PolarHBondContact O-N 2.78Å; Y19-N50 HydrophobicContact CD1-CB 3.48Å; Y19-N50 VanDerWaalsContact CD1-CB 3.48Å; Y19-N50 HydrophobicContact CD2-CB 3.61Å; Y19-N50 HydrophobicContact CE1-CB 3.89Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.28Å; Y19-N50 HydrophobicContact CE2-CB 4.02Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; Y19-V51 WeakPolarHBondContact O-CG2 3.43Å
20E96.4Very high97.2Very high137 Ų13761.2 Ų61.264%0.6431%0.31SS*.Hα-helixtrans-65.2-48.3172.8-66.3-175.217200111.1R18 M22 A23 A24 V51R18-E20 VanDerWaalsContact C-N 3.31Å; R18-E20 PolarHBondContact O-N 3.24Å; E20-M22 VanDerWaalsContact C-N 3.32Å; E20-M22 PolarHBondContact O-N 2.88Å; E20-A23 PolarHBondContact O-N 3.27Å; E20-A24 PolarHBondContact O-N 3.16Å; E20-V51 HydrophobicContact CG-CG2 4.34Å
21D97.5Very high97.1Very high49 Ų4967.6 Ų67.626%0.26234%0.34SS..Hα-helixtrans-60.5-43.5173.6-61.320.8000110.9A13 R18 A23 A24 F25A13-D21 HydrophobicContact CB-CB 4.13Å; R18-D21 HydrophobicContact CB-CB 4.12Å; R18-D21 IonicContact CZ-OD2 3.83Å; R18-D21 IonicContact NE-OD1 3.24Å; R18-D21 IonicContact NE-OD2 3.96Å; R18-D21 PolarHBondContact NE-OD2 2.95Å; R18-D21 IonicContact NH2-OD1 2.75Å; R18-D21 PolarHBondContact NH2-OD1 3.2Å; R18-D21 IonicContact NH2-OD2 3.45Å; R18-D21 PolarHBondContact NH2-OD2 3.34Å; R18-D21 WeakPolarHBondContact O-CB 3.39Å; R18-D21 PolarHBondContact O-N 3.44Å; D21-A23 VanDerWaalsContact C-N 3.33Å; D21-A23 PolarHBondContact O-N 2.71Å; D21-A24 PolarHBondContact O-N 3.39Å; D21-F25 HydrophobicContact CB-CD2 4.34Å; D21-F25 HydrophobicContact CB-CE2 3.84Å; D21-F25 HydrophobicContact CB-CZ 4.49Å; D21-F25 WeakPolarHBondContact O-CD2 3.38Å; D21-F25 VanDerWaalsContact O-CG 3.31Å; D21-F25 WeakPolarHBondContact O-CG 3.46Å; D21-F25 PolarHBondContact O-N 3.33Å
22M97.6Very high96.8Very high0 Ų069.6 Ų69.60%035%0.349CS..Hα-helixtrans-57.5-46176.9-169.7-170178.800111.1A10 A13 E14 R18 Y19 E20 F25 M26 L43 V46 A47A10-M22 HydrophobicContact CB-CG 4.29Å; A13-M22 HydrophobicContact CB-CB 3.8Å; A13-M22 HydrophobicContact CB-CG 4.46Å; E14-M22 HydrophobicContact CB-CE 3.78Å; E14-M22 HydrophobicContact CB-SD 3.77Å; E14-M22 HydrophobicContact CG-CE 3.97Å; E14-M22 HydrophobicContact CG-SD 4.17Å; R18-M22 PolarHBondContact O-N 3Å; Y19-M22 HydrophobicContact CD1-SD 4.17Å; Y19-M22 PolarHBondContact O-N 3.03Å; E20-M22 VanDerWaalsContact C-N 3.32Å; E20-M22 PolarHBondContact O-N 2.88Å; M22-F25 PolarHBondContact O-N 2.96Å; M22-M26 WeakPolarHBondContact O-CB 3.15Å; M22-M26 WeakPolarHBondContact O-CG 3.46Å; M22-M26 PolarHBondContact O-N 3.4Å; M22-L43 HydrophobicContact CE-CB 3.99Å; M22-L43 HydrophobicContact CE-CD2 3.53Å; M22-L43 HydrophobicContact CE-CG 4.39Å; M22-L43 WeakPolarHBondContact CE-O 3.48Å; M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.15Å; M22-V46 HydrophobicContact SD-CG1 4.39Å; M22-A47 HydrophobicContact CB-CB 4.07Å; M22-A47 HydrophobicContact CE-CB 4.19Å; M22-A47 HydrophobicContact CG-CB 3.69Å; M22-A47 HydrophobicContact SD-CB 3.67Å
23A97.3Very high96.4Very high9 Ų968.4 Ų68.47%0.07436%0.36CS..Hα-helixtrans-64.7-41177.300000111.3Y19 E20 D21 M26 K27 A47 Y48 V51Y19-A23 WeakPolarHBondContact O-CB 3.3Å; Y19-A23 PolarHBondContact O-N 2.78Å; E20-A23 PolarHBondContact O-N 3.27Å; D21-A23 VanDerWaalsContact C-N 3.33Å; D21-A23 PolarHBondContact O-N 2.71Å; A23-M26 PolarHBondContact O-N 3.14Å; A23-K27 VanDerWaalsContact O-CB 3.25Å; A23-K27 WeakPolarHBondContact O-CB 3.34Å; A23-K27 PolarHBondContact O-N 2.75Å; A23-A47 HydrophobicContact CB-CB 4.05Å; A23-Y48 HydrophobicContact CB-CD2 4.42Å; A23-Y48 HydrophobicContact CB-CE2 4.19Å; A23-V51 HydrophobicContact CB-CG2 4.12Å
24A97.6Very high96.1Very high61 Ų6173.6 Ų73.650%0.50438%0.383SS..Hα-helixtrans-62.9-44.3176.200000112.5E20 D21 G28E20-A24 PolarHBondContact O-N 3.16Å; D21-A24 PolarHBondContact O-N 3.39Å; A24-G28 PolarHBondContact O-N 3.07Å
25F97.7Very high95.9Very high51 Ų5179.2 Ų79.222%0.22441%0.409CS..Hα-helixtrans-66.1-43.5176.8-63.8-45.6000112.1L6 K9 A10 A13 D21 M22 G28 A29L6-F25 HydrophobicContact CD2-CD1 4.07Å; K9-F25 HydrophobicContact CB-CB 4.46Å; K9-F25 HydrophobicContact CB-CD1 3.98Å; K9-F25 HydrophobicContact CB-CD2 3.62Å; K9-F25 HydrophobicContact CB-CE1 4.11Å; K9-F25 HydrophobicContact CB-CE2 3.75Å; K9-F25 HydrophobicContact CB-CG 3.76Å; K9-F25 HydrophobicContact CB-CZ 4.01Å; K9-F25 HydrophobicContact CD-CD1 4.12Å; K9-F25 HydrophobicContact CD-CE1 3.69Å; K9-F25 HydrophobicContact CD-CE2 4.5Å; K9-F25 HydrophobicContact CD-CZ 3.91Å; A10-F25 HydrophobicContact CB-CB 4.04Å; A13-F25 HydrophobicContact CB-CD2 4.15Å; A13-F25 HydrophobicContact CB-CE2 4.21Å; D21-F25 HydrophobicContact CB-CD2 4.34Å; D21-F25 HydrophobicContact CB-CE2 3.84Å; D21-F25 HydrophobicContact CB-CZ 4.49Å; D21-F25 WeakPolarHBondContact O-CD2 3.38Å; D21-F25 VanDerWaalsContact O-CG 3.31Å; D21-F25 WeakPolarHBondContact O-CG 3.46Å; D21-F25 PolarHBondContact O-N 3.33Å; M22-F25 PolarHBondContact O-N 2.96Å; F25-G28 PolarHBondContact O-N 3.19Å; F25-A29 PolarHBondContact O-N 3.4Å
26M97.7Very high95.7Very high0 Ų073.2 Ų73.20%038%0.382CS..Hα-helixtrans-66.2-39.6177.5-73-54-54.700112.2I7 A10 M22 A23 A29 V30 E40 L43 L44I7-M26 HydrophobicContact CD1-CE 3.75Å; I7-M26 HydrophobicContact CD1-SD 3.64Å; A10-M26 HydrophobicContact CB-CG 3.72Å; A10-M26 HydrophobicContact CB-SD 3.5Å; A10-M26 WeakPolarHBondContact CB-SD 3.48Å; M22-M26 WeakPolarHBondContact O-CB 3.15Å; M22-M26 WeakPolarHBondContact O-CG 3.46Å; M22-M26 PolarHBondContact O-N 3.4Å; A23-M26 PolarHBondContact O-N 3.14Å; M26-A29 PolarHBondContact O-N 3.1Å; M26-A29 VanDerWaalsContact O-N 3.16Å; M26-V30 WeakPolarHBondContact O-CG2 3.45Å; M26-V30 PolarHBondContact O-N 3.04Å; M26-E40 HydrophobicContact CE-CB 4.24Å; M26-E40 WeakPolarHBondContact CE-O 3.44Å; M26-L43 HydrophobicContact CE-CB 4.02Å; M26-L43 HydrophobicContact CG-CB 4.26Å; M26-L43 HydrophobicContact SD-CB 3.73Å; M26-L43 HydrophobicContact SD-CD1 4.26Å; M26-L44 HydrophobicContact CB-CD1 3.73Å; M26-L44 HydrophobicContact CE-CB 4.03Å
27K96.5Very high95.6Very high108 Ų10872.8 Ų72.847%0.4738%0.375SS..Hα-helixtrans-56.7-50.5171.6179.1179173.9-179.80110.7A23 A29 V30 E31A23-K27 VanDerWaalsContact O-CB 3.25Å; A23-K27 WeakPolarHBondContact O-CB 3.34Å; A23-K27 PolarHBondContact O-N 2.75Å; K27-A29 PolarHBondContact O-N 3.43Å; K27-V30 PolarHBondContact O-N 3.47Å; K27-V30 VanDerWaalsContact O-N 3.16Å; K27-E31 WeakPolarHBondContact CE-OE1 3.4Å; K27-E31 IonicContact NZ-OE1 2.83Å; K27-E31 WeakPolarHBondContact O-CG 3.26Å; K27-E31 PolarHBondContact O-N 2.88Å
28G96.5Very high95.6Very high15 Ų1570.3 Ų70.316%0.15537%0.373CS..Hα-helixtrans-61.1-29.8177.600000113.6L6 A24 F25L6-G28 WeakPolarHBondContact CD1-O 3.39Å; A24-G28 PolarHBondContact O-N 3.07Å; F25-G28 PolarHBondContact O-N 3.19Å
29A95.6Very high95.5Very high0 Ų068.9 Ų68.90%037%0.372CS..Hα-helixtrans-74.6-39.517600000112.2R3 L6 I7 F25 M26 K27 K32R3-A29 HydrophobicContact CG-CB 4.34Å; L6-A29 HydrophobicContact CB-CB 4.03Å; I7-A29 HydrophobicContact CD1-CB 3.55Å; I7-A29 HydrophobicContact CG1-CB 4.26Å; F25-A29 PolarHBondContact O-N 3.4Å; M26-A29 PolarHBondContact O-N 3.1Å; M26-A29 VanDerWaalsContact O-N 3.16Å; K27-A29 PolarHBondContact O-N 3.43Å; A29-K32 WeakPolarHBondContact O-CB 3.45Å; A29-K32 PolarHBondContact O-N 3.22Å
30V95.5Very high95.4Very high63 Ų6367 Ų6738%0.38237%0.365SS..Hα-helixtrans-63.3-41.5174.6171.10000111.2M26 K27 K32 G33 L36 L44M26-V30 WeakPolarHBondContact O-CG2 3.45Å; M26-V30 PolarHBondContact O-N 3.04Å; K27-V30 PolarHBondContact O-N 3.47Å; K27-V30 VanDerWaalsContact O-N 3.16Å; V30-K32 PolarHBondContact O-N 2.94Å; V30-G33 PolarHBondContact O-N 3Å; V30-L36 HydrophobicContact CG2-CD1 3.77Å; V30-L36 HydrophobicContact CG2-CD2 4.07Å; V30-L36 HydrophobicContact CG2-CG 4.22Å; V30-L44 HydrophobicContact CG2-CD1 4.39Å; V30-L44 HydrophobicContact CG2-CD2 4.19Å
31E95.4Very high95.5Very high133 Ų13367.1 Ų67.162%0.62136%0.36SS*.THydrogen-bonded Turntrans-63.8-9.8178-72171.9169.600113.7K27 G33K27-E31 WeakPolarHBondContact CE-OE1 3.4Å; K27-E31 IonicContact NZ-OE1 2.83Å; K27-E31 WeakPolarHBondContact O-CG 3.26Å; K27-E31 PolarHBondContact O-N 2.88Å; E31-G33 PolarHBondContact O-N 3.17Å
32K92.9Very high95.4Very high109 Ų10969.3 Ų69.347%0.47437%0.372SS..THydrogen-bonded Turntrans-74.8-9.6170.1-59.7-57.5180-174.10113.8M1 R3 A29 V30 E34M1-K32 WeakPolarHBondContact O-CE 3.43Å; R3-K32 HydrophobicContact CB-CB 4.38Å; R3-K32 HydrophobicContact CB-CG 4.09Å; R3-K32 HydrophobicContact CG-CB 4.4Å; R3-K32 HydrophobicContact CG-CG 4.4Å; A29-K32 WeakPolarHBondContact O-CB 3.45Å; A29-K32 PolarHBondContact O-N 3.22Å; V30-K32 PolarHBondContact O-N 2.94Å; K32-E34 VanDerWaalsContact C-N 3.26Å; K32-E34 PolarHBondContact O-N 2.95Å
33G88.9Confident95.4Very high72 Ų7269.5 Ų69.574%0.74237%0.373SS*.  trans77.24.5171.700000115.3V30 E31V30-G33 PolarHBondContact O-N 3Å; E31-G33 PolarHBondContact O-N 3.17Å
34E90.5Very high95.4Very high115 Ų11571.3 Ų71.354%0.53738%0.381SS..PPolyproline II helixtrans-85141.6173.1-69.4174.1-13600110.9R3 K32 L36R3-E34 WeakPolarHBondContact CD-OE1 3.24Å; R3-E34 WeakPolarHBondContact CD-OE2 3.36Å; R3-E34 IonicContact CZ-OE2 3.66Å; R3-E34 IonicContact NE-OE2 2.7Å; R3-E34 PolarHBondContact NE-OE2 3.06Å; R3-E34 IonicContact NH1-OE2 3.33Å; K32-E34 VanDerWaalsContact C-N 3.26Å; K32-E34 PolarHBondContact O-N 2.95Å; E34-L36 PolarHBondContact O-N 2.81Å
35E93.3Very high95.3Very high182 Ų18271.8 Ų71.885%0.8538%0.381SS*.PPolyproline II helixtrans-58.3135.2176.8-170.2175-175.700111.1R3R3-E35 PolarHBondContact NH2-O 3.42Å
36L94Very high95.3Very high26 Ų2670.9 Ų70.914%0.13638%0.379CS..PPolyproline II helixtrans-79.4129177.9-64.5-170.2000111V30 E34 E40 R41 L44V30-L36 HydrophobicContact CG2-CD1 3.77Å; V30-L36 HydrophobicContact CG2-CD2 4.07Å; V30-L36 HydrophobicContact CG2-CG 4.22Å; E34-L36 PolarHBondContact O-N 2.81Å; L36-E40 HydrophobicContact CB-CB 4.14Å; L36-E40 HydrophobicContact CD2-CB 4.07Å; L36-R41 HydrophobicContact CB-CG 3.57Å; L36-R41 HydrophobicContact CD1-CG 4.06Å; L36-L44 HydrophobicContact CD1-CB 4.5Å; L36-L44 HydrophobicContact CD1-CD2 3.94Å
37S95.8Very high95.3Very high52 Ų5270.9 Ų70.936%0.36438%0.379SS..PPolyproline II helixtrans-61.9167.6167.368.20000111.9E39 E40 R41S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 PolarHBondContact O-N 3.14Å; S37-E40 WeakPolarHBondContact CB-OE2 3.39Å; S37-E40 PolarHBondContact N-OE2 3.03Å; S37-E40 PolarHBondContact O-N 3.14Å; S37-E40 VanDerWaalsContact OG-CG 3.23Å; S37-E40 WeakPolarHBondContact OG-CG 3.32Å; S37-E40 PolarHBondContact OG-N 3.04Å; S37-E40 PolarHBondContact OG-OE2 2.87Å; S37-R41 WeakPolarHBondContact O-CG 3.44Å; S37-R41 PolarHBondContact O-N 3.25Å
38C95.7Very high95.2Very high92 Ų9270.6 Ų70.662%0.62238%0.376SS*.Hα-helixtrans-57-39.6174.9-640000112.7R41 N42C38-R41 PolarHBondContact SG-NH2 3.38Å; C38-N42 PolarHBondContact O-N 3.37Å; C38-N42 VanDerWaalsContact O-N 3.11Å
39E95.6Very high95.2Very high110 Ų11077.1 Ų77.151%0.51440%0.4SS..Hα-helixtrans-66.2-45.1178.5-170.6-174.9-161.800111K11 S37 N42 L43K11-E39 VanDerWaalsContact CE-OE1 3.27Å; K11-E39 WeakPolarHBondContact CE-OE1 3.43Å; K11-E39 IonicContact NZ-OE1 2.77Å; K11-E39 PolarHBondContact NZ-OE1 3.42Å; K11-E39 IonicContact NZ-OE2 3.44Å; K11-E39 PolarHBondContact NZ-OE2 3.14Å; S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 PolarHBondContact O-N 3.14Å; E39-N42 WeakPolarHBondContact O-CB 3.32Å; E39-N42 PolarHBondContact O-N 3.28Å; E39-N42 VanDerWaalsContact O-N 3.17Å; E39-L43 WeakPolarHBondContact O-CG 3.46Å; E39-L43 PolarHBondContact O-N 3Å
40E96.5Very high95.2Very high22 Ų2279.8 Ų79.810%0.10341%0.414CS..Hα-helixtrans-68.7-36.2-179.2-65.3161.315400112R3 I7 M26 L36 S37 N42 L43 L44R3-E40 IonicContact CZ-OE1 3.52Å; R3-E40 IonicContact CZ-OE2 2.87Å; R3-E40 IonicContact NH1-OE1 2.68Å; R3-E40 PolarHBondContact NH1-OE1 3.36Å; R3-E40 IonicContact NH1-OE2 2.67Å; R3-E40 IonicContact NH2-OE1 3.96Å; R3-E40 PolarHBondContact NH2-OE1 2.87Å; R3-E40 IonicContact NH2-OE2 3.01Å; R3-E40 PolarHBondContact NH2-OE2 3.01Å; I7-E40 HydrophobicContact CD1-CB 4.4Å; I7-E40 HydrophobicContact CD1-CG 3.86Å; I7-E40 HydrophobicContact CG1-CG 4.22Å; I7-E40 HydrophobicContact CG2-CG 4.23Å; M26-E40 HydrophobicContact CE-CB 4.24Å; M26-E40 WeakPolarHBondContact CE-O 3.44Å; L36-E40 HydrophobicContact CB-CB 4.14Å; L36-E40 HydrophobicContact CD2-CB 4.07Å; S37-E40 WeakPolarHBondContact CB-OE2 3.39Å; S37-E40 PolarHBondContact N-OE2 3.03Å; S37-E40 PolarHBondContact O-N 3.14Å; S37-E40 VanDerWaalsContact OG-CG 3.23Å; S37-E40 WeakPolarHBondContact OG-CG 3.32Å; S37-E40 PolarHBondContact OG-N 3.04Å; S37-E40 PolarHBondContact OG-OE2 2.87Å; E40-N42 VanDerWaalsContact C-N 3.31Å; E40-N42 PolarHBondContact O-N 3.28Å; E40-L43 PolarHBondContact O-N 2.66Å; E40-L44 PolarHBondContact O-N 3.01Å
41R96.8Very high95.1Very high141 Ų14178.3 Ų78.353%0.53241%0.405SS..Hα-helixtrans-61.6-40.1170.8-74.2-173.4-73.6167.9-2.3111.8L36 S37 C38 L44 S45L36-R41 HydrophobicContact CB-CG 3.57Å; L36-R41 HydrophobicContact CD1-CG 4.06Å; S37-R41 WeakPolarHBondContact O-CG 3.44Å; S37-R41 PolarHBondContact O-N 3.25Å; C38-R41 PolarHBondContact SG-NH2 3.38Å; R41-L44 PolarHBondContact O-N 3.03Å; R41-S45 WeakPolarHBondContact O-CB 3.47Å; R41-S45 PolarHBondContact O-N 2.76Å
42N96.8Very high94.9Very high95 Ų9574.2 Ų74.251%0.50839%0.389SS..Hα-helixtrans-65.5-44175.9-173.367000111.5C38 E39 E40 L44 S45 V46C38-N42 PolarHBondContact O-N 3.37Å; C38-N42 VanDerWaalsContact O-N 3.11Å; E39-N42 WeakPolarHBondContact O-CB 3.32Å; E39-N42 PolarHBondContact O-N 3.28Å; E39-N42 VanDerWaalsContact O-N 3.17Å; E40-N42 VanDerWaalsContact C-N 3.31Å; E40-N42 PolarHBondContact O-N 3.28Å; N42-L44 VanDerWaalsContact C-N 3.35Å; N42-L44 PolarHBondContact O-N 2.9Å; N42-S45 WeakPolarHBondContact O-CB 3.36Å; N42-S45 PolarHBondContact O-N 3.45Å; N42-V46 WeakPolarHBondContact O-CG2 3.36Å; N42-V46 PolarHBondContact O-N 3.26Å
43L97.1Very high94.8Very high4 Ų470.3 Ų70.32%0.02138%0.38CS..Hα-helixtrans-57.3-47.5174.9-72.1170.1000111.4I7 K11 E14 M22 M26 E39 E40 S45 V46 A47I7-L43 HydrophobicContact CG2-CD1 4.19Å; K11-L43 HydrophobicContact CD-CD1 4.49Å; K11-L43 HydrophobicContact CG-CD1 3.83Å; K11-L43 HydrophobicContact CG-CD2 4.12Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.34Å; M22-L43 HydrophobicContact CE-CB 3.99Å; M22-L43 HydrophobicContact CE-CD2 3.53Å; M22-L43 HydrophobicContact CE-CG 4.39Å; M22-L43 WeakPolarHBondContact CE-O 3.48Å; M26-L43 HydrophobicContact CE-CB 4.02Å; M26-L43 HydrophobicContact CG-CB 4.26Å; M26-L43 HydrophobicContact SD-CB 3.73Å; M26-L43 HydrophobicContact SD-CD1 4.26Å; E39-L43 WeakPolarHBondContact O-CG 3.46Å; E39-L43 PolarHBondContact O-N 3Å; E40-L43 PolarHBondContact O-N 2.66Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 2.94Å; L43-V46 PolarHBondContact O-N 3.47Å; L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 3.48Å
44L96.7Very high94.9Very high46 Ų4668.9 Ų68.924%0.24137%0.365CS..Hα-helixtrans-57.5-46.3176.7-175.869.1000111.4M26 V30 L36 E40 R41 N42 A47 Y48M26-L44 HydrophobicContact CB-CD1 3.73Å; M26-L44 HydrophobicContact CE-CB 4.03Å; V30-L44 HydrophobicContact CG2-CD1 4.39Å; V30-L44 HydrophobicContact CG2-CD2 4.19Å; L36-L44 HydrophobicContact CD1-CB 4.5Å; L36-L44 HydrophobicContact CD1-CD2 3.94Å; E40-L44 PolarHBondContact O-N 3.01Å; R41-L44 PolarHBondContact O-N 3.03Å; N42-L44 VanDerWaalsContact C-N 3.35Å; N42-L44 PolarHBondContact O-N 2.9Å; L44-A47 PolarHBondContact O-N 3.47Å; L44-Y48 HydrophobicContact CD1-CD2 3.74Å; L44-Y48 HydrophobicContact CD1-CE2 3.56Å; L44-Y48 HydrophobicContact CG-CD2 4.27Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 WeakPolarHBondContact O-CD2 3.3Å; L44-Y48 PolarHBondContact O-N 3.48Å; L44-Y48 VanDerWaalsContact O-N 3.16Å
45S96.2Very high94.9Very high72 Ų7265.9 Ų65.950%0.50335%0.351SS..Hα-helixtrans-61.7-48.6178.9-178.30000112.4R41 N42 L43 A47 K49R41-S45 WeakPolarHBondContact O-CB 3.47Å; R41-S45 PolarHBondContact O-N 2.76Å; N42-S45 WeakPolarHBondContact O-CB 3.36Å; N42-S45 PolarHBondContact O-N 3.45Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 2.94Å; S45-A47 VanDerWaalsContact C-N 3.33Å; S45-A47 PolarHBondContact O-N 3.5Å; S45-K49 WeakPolarHBondContact O-CB 3.5Å; S45-K49 PolarHBondContact O-N 2.91Å
46V97Very high94.7Very high31 Ų3163.8 Ų63.819%0.18834%0.335CS..Hα-helixtrans-60.9-42.8178.8171.10000111M22 N42 L43 N50M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.15Å; M22-V46 HydrophobicContact SD-CG1 4.39Å; N42-V46 WeakPolarHBondContact O-CG2 3.36Å; N42-V46 PolarHBondContact O-N 3.26Å; L43-V46 PolarHBondContact O-N 3.47Å; V46-N50 PolarHBondContact O-N 3.43Å; V46-N50 VanDerWaalsContact O-N 3.1Å; V46-N50 PolarHBondContact O-ND2 2.98Å
47A97.4Very high94.7Very high0 Ų064.8 Ų64.80%035%0.348CS..Hα-helixtrans-58.7-59.317900000111.5M22 A23 L43 L44 S45 K49 N50 V51M22-A47 HydrophobicContact CB-CB 4.07Å; M22-A47 HydrophobicContact CE-CB 4.19Å; M22-A47 HydrophobicContact CG-CB 3.69Å; M22-A47 HydrophobicContact SD-CB 3.67Å; A23-A47 HydrophobicContact CB-CB 4.05Å; L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 3.48Å; L44-A47 PolarHBondContact O-N 3.47Å; S45-A47 VanDerWaalsContact C-N 3.33Å; S45-A47 PolarHBondContact O-N 3.5Å; A47-K49 PolarHBondContact O-N 3.26Å; A47-N50 PolarHBondContact O-N 2.96Å; A47-V51 WeakPolarHBondContact O-CG2 3.3Å; A47-V51 PolarHBondContact O-N 3.49Å
48Y95.1Very high94.4Very high102 Ų10263.8 Ų63.840%0.434%0.342SS..Hα-helixtrans-68.1-33.6-177.1-82.3-83.4000112.8A23 L44 N50 V51 V52A23-Y48 HydrophobicContact CB-CD2 4.42Å; A23-Y48 HydrophobicContact CB-CE2 4.19Å; L44-Y48 HydrophobicContact CD1-CD2 3.74Å; L44-Y48 HydrophobicContact CD1-CE2 3.56Å; L44-Y48 HydrophobicContact CG-CD2 4.27Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 WeakPolarHBondContact O-CD2 3.3Å; L44-Y48 PolarHBondContact O-N 3.48Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; Y48-N50 VanDerWaalsContact C-N 3.34Å; Y48-N50 PolarHBondContact O-N 2.77Å; Y48-V51 PolarHBondContact O-N 2.95Å; Y48-V52 WeakPolarHBondContact O-CB 3.32Å; Y48-V52 WeakPolarHBondContact O-CG2 3.5Å; Y48-V52 PolarHBondContact O-N 3.26Å
49K95.5Very high94Very high153 Ų15362.4 Ų62.467%0.66532%0.324SS*.Hα-helixtrans-58.7-45.1173.7176.5-173.9171-173.60111.5S45 A47 G53S45-K49 WeakPolarHBondContact O-CB 3.5Å; S45-K49 PolarHBondContact O-N 2.91Å; A47-K49 PolarHBondContact O-N 3.26Å; K49-G53 WeakPolarHBondContact O-CA 3.21Å; K49-G53 PolarHBondContact O-N 3.34Å
50N95.9Very high93.8Very high56 Ų5663.9 Ų63.930%0.29933%0.325SS..Hα-helixtrans-73.1-40.4-179.3-79.2-67.5000112Y19 V46 A47 Y48 G53 G54Y19-N50 HydrophobicContact CD1-CB 3.48Å; Y19-N50 VanDerWaalsContact CD1-CB 3.48Å; Y19-N50 HydrophobicContact CD2-CB 3.61Å; Y19-N50 HydrophobicContact CE1-CB 3.89Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.28Å; Y19-N50 HydrophobicContact CE2-CB 4.02Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; V46-N50 PolarHBondContact O-N 3.43Å; V46-N50 VanDerWaalsContact O-N 3.1Å; V46-N50 PolarHBondContact O-ND2 2.98Å; A47-N50 PolarHBondContact O-N 2.96Å; Y48-N50 VanDerWaalsContact C-N 3.34Å; Y48-N50 PolarHBondContact O-N 2.77Å; N50-G53 WeakPolarHBondContact O-CA 3.44Å; N50-G53 PolarHBondContact O-N 2.85Å; N50-G54 PolarHBondContact O-N 2.92Å
51V93.7Very high93.5Very high31 Ų3167 Ų6719%0.18835%0.345CS..Hα-helixtrans-57.3-53.2174.2171.80000110.8Y19 E20 A23 A47 Y48 G53 G54 Q55Y19-V51 WeakPolarHBondContact O-CG2 3.43Å; E20-V51 HydrophobicContact CG-CG2 4.34Å; A23-V51 HydrophobicContact CB-CG2 4.12Å; A47-V51 WeakPolarHBondContact O-CG2 3.3Å; A47-V51 PolarHBondContact O-N 3.49Å; Y48-V51 PolarHBondContact O-N 2.95Å; V51-G53 VanDerWaalsContact C-N 3.28Å; V51-G53 PolarHBondContact O-N 3.46Å; V51-G54 PolarHBondContact O-N 3.28Å; V51-Q55 PolarHBondContact O-N 2.91Å
52V90.8Very high93Very high48 Ų4861.7 Ų61.729%0.29133%0.327SS..Hα-helixtrans-65.7-33.7177.4175.50000111.3Y48 Q55 R56 Y95Y48-V52 WeakPolarHBondContact O-CB 3.32Å; Y48-V52 WeakPolarHBondContact O-CG2 3.5Å; Y48-V52 PolarHBondContact O-N 3.26Å; V52-Q55 PolarHBondContact O-N 3.08Å; V52-R56 HydrophobicContact CG1-CG 4.32Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 2.83Å; V52-Y95 HydrophobicContact CG2-CE1 4.1Å
53G91.4Very high92.5Very high26 Ų2658.6 Ų58.627%0.26831%0.313SS..Hα-helixtrans-58.1-45.5174.800000113K49 N50 V51 R56 A57K49-G53 WeakPolarHBondContact O-CA 3.21Å; K49-G53 PolarHBondContact O-N 3.34Å; N50-G53 WeakPolarHBondContact O-CA 3.44Å; N50-G53 PolarHBondContact O-N 2.85Å; V51-G53 VanDerWaalsContact C-N 3.28Å; V51-G53 PolarHBondContact O-N 3.46Å; G53-R56 PolarHBondContact O-N 2.73Å; G53-A57 PolarHBondContact O-N 3.37Å
54G92Very high92Very high43 Ų4361.2 Ų61.244%0.44333%0.332SS..Hα-helixtrans-60.8-47.2175.100000112.3N50 V51 R56 A57 A58N50-G54 PolarHBondContact O-N 2.92Å; V51-G54 PolarHBondContact O-N 3.28Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 2.82Å; G54-A57 WeakPolarHBondContact O-CB 3.34Å; G54-A57 PolarHBondContact O-N 3.13Å; G54-A57 VanDerWaalsContact O-N 3.13Å; G54-A58 PolarHBondContact O-N 2.88Å
55Q89.2Confident91.5Very high51 Ų5162.3 Ų62.324%0.23834%0.337CS..Hα-helixtrans-61.2-41.3177.7-61.4-60.1-23.100112.3V51 V52 A57 A58 W59 M91V51-Q55 PolarHBondContact O-N 2.91Å; V52-Q55 PolarHBondContact O-N 3.08Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.98Å; Q55-A58 PolarHBondContact O-N 3.48Å; Q55-W59 PolarHBondContact O-N 3.03Å; Q55-M91 HydrophobicContact CB-SD 4.09Å; Q55-M91 HydrophobicContact CG-SD 4.02Å
56R90Very high90.8Very high138 Ų13860.7 Ų60.752%0.52132%0.322SS..Hα-helixtrans-63.5-38174.9-74.3172.963.9-137.86.7112.6V52 G53 G54 R60V52-R56 HydrophobicContact CG1-CG 4.32Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 2.83Å; G53-R56 PolarHBondContact O-N 2.73Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 2.82Å; R56-R60 WeakPolarHBondContact O-CG 3.33Å; R56-R60 PolarHBondContact O-N 2.93Å
57A92.8Very high90.1Very high48 Ų4864.9 Ų64.940%0.39734%0.34SS..Hα-helixtrans-66.3-46.4176.400000110.8G53 G54 Q55 W59 R60 V61G53-A57 PolarHBondContact O-N 3.37Å; G54-A57 WeakPolarHBondContact O-CB 3.34Å; G54-A57 PolarHBondContact O-N 3.13Å; G54-A57 VanDerWaalsContact O-N 3.13Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.98Å; A57-W59 PolarHBondContact O-N 3.34Å; A57-R60 PolarHBondContact O-N 2.95Å; A57-V61 WeakPolarHBondContact O-CG2 3.4Å; A57-V61 PolarHBondContact O-N 2.89Å; A57-V61 VanDerWaalsContact O-N 3.11Å
58A89.9Confident89.4Confident30 Ų3070.9 Ų70.925%0.24837%0.365CS..Hα-helixtrans-59.4-45177.600000112.3G54 Q55 R60 V61 L62 Y88G54-A58 PolarHBondContact O-N 2.88Å; Q55-A58 PolarHBondContact O-N 3.48Å; A58-R60 VanDerWaalsContact C-N 3.34Å; A58-R60 PolarHBondContact O-N 3.29Å; A58-V61 PolarHBondContact O-N 3.29Å; A58-L62 PolarHBondContact O-N 3.21Å; A58-Y88 HydrophobicContact CB-CE1 4.06Å; A58-Y88 WeakPolarHBondContact CB-OH 3.4Å
59W87.2Confident88.6Confident64 Ų6466.6 Ų66.624%0.24235%0.351CS..Hα-helixtrans-56.1-43.7174.8173-106.3000113.5Q55 A57 L62 S63 R85 Y88 L89Q55-W59 PolarHBondContact O-N 3.03Å; A57-W59 PolarHBondContact O-N 3.34Å; W59-L62 PolarHBondContact O-N 3.46Å; W59-S63 WeakPolarHBondContact O-CB 3.49Å; W59-S63 PolarHBondContact O-N 3.21Å; W59-S63 PolarHBondContact O-OG 3.44Å; W59-R85 VanDerWaalsContact CZ2-NH1 3.26Å; W59-Y88 HydrophobicContact CB-CD1 4.36Å; W59-Y88 HydrophobicContact CE3-CD1 4.44Å; W59-Y88 HydrophobicContact CE3-CD2 4.35Å; W59-Y88 AromaticContact CE3-CG 3.77Å; W59-Y88 HydrophobicContact CE3-CG 3.77Å; W59-Y88 HydrophobicContact CZ3-CG 4.34Å; W59-L89 HydrophobicContact CH2-CD2 3.64Å; W59-L89 HydrophobicContact CH2-CG 3.81Å; W59-L89 HydrophobicContact CZ2-CD2 4.39Å; W59-L89 HydrophobicContact CZ3-CG 4.27Å
60R90.9Very high87.6Confident140 Ų14065.1 Ų65.153%0.52835%0.35SS..Hα-helixtrans-64.9-41.5178.6-72.3176.9-174.2133.9-4.5111.8R56 A57 A58 S64R56-R60 WeakPolarHBondContact O-CG 3.33Å; R56-R60 PolarHBondContact O-N 2.93Å; A57-R60 PolarHBondContact O-N 2.95Å; A58-R60 VanDerWaalsContact C-N 3.34Å; A58-R60 PolarHBondContact O-N 3.29Å; R60-S64 WeakPolarHBondContact O-CB 3.37Å; R60-S64 PolarHBondContact O-N 3.35Å; R60-S64 PolarHBondContact O-OG 3.35Å
61V90.5Very high86.8Confident87 Ų8769.1 Ų69.153%0.52737%0.367SS..Hα-helixtrans-63.7-47.8177.7170.90000110.1A57 A58 S64 I65A57-V61 WeakPolarHBondContact O-CG2 3.4Å; A57-V61 PolarHBondContact O-N 2.89Å; A57-V61 VanDerWaalsContact O-N 3.11Å; A58-V61 PolarHBondContact O-N 3.29Å; V61-S64 WeakPolarHBondContact O-CB 3.44Å; V61-S64 PolarHBondContact O-N 3.14Å; V61-I65 HydrophobicContact CG1-CD1 3.82Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.99Å
62L87.5Confident85.8Confident30 Ų3074.6 Ų74.616%0.15739%0.39CS..Hα-helixtrans-65.1-43.9179.3-75.9163.2000113.1A58 W59 S64 I65 E66 Y84 Y88A58-L62 PolarHBondContact O-N 3.21Å; W59-L62 PolarHBondContact O-N 3.46Å; L62-S64 PolarHBondContact O-N 3.38Å; L62-I65 PolarHBondContact O-N 3.45Å; L62-I65 VanDerWaalsContact O-N 3.12Å; L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 PolarHBondContact O-N 3.23Å; L62-Y84 HydrophobicContact CD1-CG 4.42Å; L62-Y84 HydrophobicContact CD2-CD2 4.44Å; L62-Y84 HydrophobicContact CD2-CG 4.35Å; L62-Y88 HydrophobicContact CD1-CD2 3.43Å; L62-Y88 VanDerWaalsContact CD1-CD2 3.43Å; L62-Y88 HydrophobicContact CD1-CE2 2.95Å; L62-Y88 HydrophobicContact CG-CE2 4.45Å
63S85.4Confident84.7Confident30 Ų3075.2 Ų75.221%0.2141%0.407CS..Hα-helixtrans-59.4-36.1174.8-59.20000111.4W59 Q67W59-S63 WeakPolarHBondContact O-CB 3.49Å; W59-S63 PolarHBondContact O-N 3.21Å; W59-S63 PolarHBondContact O-OG 3.44Å; S63-Q67 WeakPolarHBondContact O-CB 3.28Å; S63-Q67 PolarHBondContact O-N 3.32Å; S63-Q67 VanDerWaalsContact O-N 3.07Å
64S87.5Confident83.3Confident60 Ų6076 Ų7642%0.4241%0.408SS..Hα-helixtrans-72.2-35.2177.2-56.80000112.5R60 V61 L62 K68R60-S64 WeakPolarHBondContact O-CB 3.37Å; R60-S64 PolarHBondContact O-N 3.35Å; R60-S64 PolarHBondContact O-OG 3.35Å; V61-S64 WeakPolarHBondContact O-CB 3.44Å; V61-S64 PolarHBondContact O-N 3.14Å; L62-S64 PolarHBondContact O-N 3.38Å; S64-K68 WeakPolarHBondContact O-CG 3.42Å; S64-K68 PolarHBondContact O-N 3.21Å
65I86.2Confident81.8Confident68 Ų6882 Ų8235%0.34942%0.424SS..Hα-helixtrans-67.9-48.1173.9-70.5160.7000110V61 L62 Q67 K68 S69 V81V61-I65 HydrophobicContact CG1-CD1 3.82Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.99Å; L62-I65 PolarHBondContact O-N 3.45Å; L62-I65 VanDerWaalsContact O-N 3.12Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.07Å; I65-K68 PolarHBondContact O-N 3.48Å; I65-S69 PolarHBondContact O-N 2.92Å; I65-S69 PolarHBondContact O-OG 3.26Å; I65-V81 HydrophobicContact CG2-CG2 3.98Å
66E80.8Confident80.4Confident38 Ų3888.1 Ų88.118%0.17845%0.453CS..Hα-helixtrans-57.4-45.9178.7-177.8178.9-15100111.6L62 K68 S69 N70 V81 R85L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 PolarHBondContact O-N 3.23Å; E66-K68 PolarHBondContact O-N 3.32Å; E66-S69 PolarHBondContact O-N 2.98Å; E66-N70 VanDerWaalsContact O-CG 3.29Å; E66-N70 PolarHBondContact O-N 2.9Å; E66-N70 PolarHBondContact O-ND2 3.48Å; E66-V81 HydrophobicContact CB-CG1 3.87Å; E66-V81 HydrophobicContact CG-CG1 4.33Å; E66-R85 WeakPolarHBondContact OE2-CD 3.28Å; E66-R85 IonicContact OE2-CZ 2.73Å; E66-R85 IonicContact OE2-NE 3.56Å; E66-R85 IonicContact OE2-NH1 3.82Å; E66-R85 PolarHBondContact OE2-NH1 2.97Å
67Q82Confident79.1Confident120 Ų12088 Ų8856%0.56146%0.456SS*.Hα-helixtrans-58.6-46.3176.6-174.1-178.6-14.700111.8S63 I65 N70 E71S63-Q67 WeakPolarHBondContact O-CB 3.28Å; S63-Q67 PolarHBondContact O-N 3.32Å; S63-Q67 VanDerWaalsContact O-N 3.07Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.07Å; Q67-N70 PolarHBondContact O-N 3.01Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.33Å; Q67-E71 PolarHBondContact NE2-OE1 2.83Å; Q67-E71 VanDerWaalsContact NE2-OE1 3.08Å; Q67-E71 WeakPolarHBondContact O-CG 3.5Å; Q67-E71 PolarHBondContact O-N 3.23Å; Q67-E71 VanDerWaalsContact O-N 3.09Å
68K83.9Confident78.1Confident125 Ų12586 Ų8654%0.54344%0.441SS..Hα-helixtrans-66.3-41.3178.4-71.4176.2-179.4-175.50112.6S64 I65 E66 N70 E71 E72S64-K68 WeakPolarHBondContact O-CG 3.42Å; S64-K68 PolarHBondContact O-N 3.21Å; I65-K68 PolarHBondContact O-N 3.48Å; E66-K68 PolarHBondContact O-N 3.32Å; K68-N70 VanDerWaalsContact C-N 3.31Å; K68-N70 PolarHBondContact O-N 3.2Å; K68-E71 PolarHBondContact O-N 2.84Å; K68-E72 WeakPolarHBondContact O-CB 3.29Å; K68-E72 WeakPolarHBondContact O-CG 3.27Å; K68-E72 PolarHBondContact O-N 3.47Å
69S77.9Confident77.5Confident13 Ų1387.9 Ų87.99%0.09145%0.45CS..Hα-helixtrans-62.2-39177.2-75.90000112.2I65 E66 E72 G73 S74I65-S69 PolarHBondContact O-N 2.92Å; I65-S69 PolarHBondContact O-OG 3.26Å; E66-S69 PolarHBondContact O-N 2.98Å; S69-E72 PolarHBondContact O-N 3.02Å; S69-G73 PolarHBondContact O-N 2.7Å; S69-G73 VanDerWaalsContact O-N 3.1Å; S69-S74 PolarHBondContact O-N 3.33Å
70N75Confident77.2Confident121 Ų12190 Ų9065%0.64746%0.463SS*.Hα-helixtrans-67.9-35.4174.9-70.3-14.7000112.5E66 Q67 K68E66-N70 VanDerWaalsContact O-CG 3.29Å; E66-N70 PolarHBondContact O-N 2.9Å; E66-N70 PolarHBondContact O-ND2 3.48Å; Q67-N70 PolarHBondContact O-N 3.01Å; K68-N70 VanDerWaalsContact C-N 3.31Å; K68-N70 PolarHBondContact O-N 3.2Å
71E78.5Confident76.8Confident140 Ų14084.3 Ų84.365%0.65444%0.444SS*.Hα-helixtrans-71-37.1175.4-72.8171-167.500112.4Q67 K68Q67-E71 WeakPolarHBondContact CG-OE1 3.33Å; Q67-E71 PolarHBondContact NE2-OE1 2.83Å; Q67-E71 VanDerWaalsContact NE2-OE1 3.08Å; Q67-E71 WeakPolarHBondContact O-CG 3.5Å; Q67-E71 PolarHBondContact O-N 3.23Å; Q67-E71 VanDerWaalsContact O-N 3.09Å; K68-E71 PolarHBondContact O-N 2.84Å
72E73.6Confident76.6Confident146 Ų14683.4 Ų83.468%0.68243%0.431SS*.Hα-helixtrans-85-7.4-178-69.1174.1-177.500113.6K68 S69 S74K68-E72 WeakPolarHBondContact O-CB 3.29Å; K68-E72 WeakPolarHBondContact O-CG 3.27Å; K68-E72 PolarHBondContact O-N 3.47Å; S69-E72 PolarHBondContact O-N 3.02Å; E72-S74 PolarHBondContact O-N 3.43Å
73G67.5Low76.7Confident62 Ų6285.1 Ų85.164%0.63944%0.438SS*.THydrogen-bonded Turntrans63.522.6-176.800000113.7S69 E75S69-G73 PolarHBondContact O-N 2.7Å; S69-G73 VanDerWaalsContact O-N 3.1Å; G73-E75 PolarHBondContact O-N 2.86Å
74S61.3Low76.9Confident42 Ų4289.8 Ų89.829%0.29445%0.452SS..  trans-84.493.3-177.854.60000110.8S69 E72 E76S69-S74 PolarHBondContact O-N 3.33Å; E72-S74 PolarHBondContact O-N 3.43Å; S74-E76 PolarHBondContact O-N 3.12Å
75E61.4Low77Confident168 Ų16888.6 Ų88.679%0.78544%0.438SS*.G310 helixtrans-67.4-22177.5-69.4-174.6163.800113.4G73 K77 G78G73-E75 PolarHBondContact O-N 2.86Å; E75-K77 PolarHBondContact O-N 3.27Å; E75-G78 WeakPolarHBondContact O-CA 3.45Å; E75-G78 PolarHBondContact O-N 3.02Å
76E59.6Low77.4Confident181 Ų18185.4 Ų85.485%0.84642%0.422SS*.G310 helixtrans-64.8-34.5-170.1-168.1177.7-166.900113.9S74 G78S74-E76 PolarHBondContact O-N 3.12Å; E76-G78 VanDerWaalsContact C-N 3.28Å
77K61.3Low78Confident135 Ų13587.4 Ų87.459%0.58743%0.43SS*.G310 helixtrans-89.40.7174.5-65-178-179172.90112.9E75 V81E75-K77 PolarHBondContact O-N 3.27Å; K77-V81 HydrophobicContact CB-CG2 4.35Å; K77-V81 VanDerWaalsContact O-CB 3.28Å; K77-V81 WeakPolarHBondContact O-CB 3.38Å; K77-V81 WeakPolarHBondContact O-CG2 3.47Å; K77-V81 PolarHBondContact O-N 3.45Å
78G73.1Confident78.5Confident7 Ų783.2 Ų83.27%0.07241%0.409CS..Hα-helixtrans-59.1-51.8-172.700000113.4E75 E76 R82E75-G78 WeakPolarHBondContact O-CA 3.45Å; E75-G78 PolarHBondContact O-N 3.02Å; E76-G78 VanDerWaalsContact C-N 3.28Å; G78-R82 VanDerWaalsContact O-CB 3.28Å; G78-R82 WeakPolarHBondContact O-CB 3.27Å; G78-R82 WeakPolarHBondContact O-CG 3.37Å; G78-R82 PolarHBondContact O-N 3.29Å; G78-R82 PolarHBondContact O-NE 3.5Å
79P76.3Confident79Confident69 Ų6977.2 Ų77.245%0.44838%0.383SS..Hα-helixtrans-61.7-51.4-172.7-2535.2000113.5R82 E83P79-R82 PolarHBondContact O-N 3.4Å; P79-E83 PolarHBondContact O-N 3.13Å
80E81.6Confident79.8Confident108 Ų10878.3 Ų78.351%0.50539%0.386SS..Hα-helixtrans-67.3-41.4-178.1-6282177.800111.2R82 E83 Y84E80-R82 VanDerWaalsContact C-N 3.29Å; E80-R82 PolarHBondContact O-N 2.86Å; E80-E83 PolarHBondContact O-N 3.23Å; E80-Y84 WeakPolarHBondContact O-CD2 3.43Å; E80-Y84 PolarHBondContact O-N 3.46Å
81V83.3Confident80.7Confident20 Ų2074 Ų7412%0.12136%0.363CS..Hα-helixtrans-62-40.1177.1173.20000110.7I65 E66 K77 Y84 R85I65-V81 HydrophobicContact CG2-CG2 3.98Å; E66-V81 HydrophobicContact CB-CG1 3.87Å; E66-V81 HydrophobicContact CG-CG1 4.33Å; K77-V81 HydrophobicContact CB-CG2 4.35Å; K77-V81 VanDerWaalsContact O-CB 3.28Å; K77-V81 WeakPolarHBondContact O-CB 3.38Å; K77-V81 WeakPolarHBondContact O-CG2 3.47Å; K77-V81 PolarHBondContact O-N 3.45Å; V81-Y84 PolarHBondContact O-N 3.49Å; V81-R85 WeakPolarHBondContact O-CB 3.1Å; V81-R85 PolarHBondContact O-N 2.91Å
82R86Confident81.5Confident68 Ų6871 Ų7126%0.25735%0.347SS..Hα-helixtrans-69.7-34.3176.3-72.1-175.9-59.4-107.313.6112.1G78 P79 E80 R85 V86 I125 E129G78-R82 VanDerWaalsContact O-CB 3.28Å; G78-R82 WeakPolarHBondContact O-CB 3.27Å; G78-R82 WeakPolarHBondContact O-CG 3.37Å; G78-R82 PolarHBondContact O-N 3.29Å; G78-R82 PolarHBondContact O-NE 3.5Å; P79-R82 PolarHBondContact O-N 3.4Å; E80-R82 VanDerWaalsContact C-N 3.29Å; E80-R82 PolarHBondContact O-N 2.86Å; R82-R85 WeakPolarHBondContact O-CB 3.17Å; R82-R85 PolarHBondContact O-N 3.47Å; R82-V86 WeakPolarHBondContact O-CG2 3.48Å; R82-V86 PolarHBondContact O-N 2.79Å; R82-I125 HydrophobicContact CB-CG2 4.48Å; R82-E129 HydrophobicContact CB-CG 4.37Å; R82-E129 IonicContact CZ-OE2 3.7Å; R82-E129 IonicContact NE-OE1 2.71Å; R82-E129 IonicContact NE-OE2 3.16Å; R82-E129 PolarHBondContact NE-OE2 2.95Å; R82-E129 IonicContact NH2-OE2 3.46Å; R82-E129 PolarHBondContact NH2-OE2 3.42Å
83E88.9Confident82.6Confident67 Ų6764 Ų6431%0.31332%0.315SS..Hα-helixtrans-61.9-47.7172.7-177.5166.4-144.500112.1P79 E80 R85 V86 F87 M130 N134 I136P79-E83 PolarHBondContact O-N 3.13Å; E80-E83 PolarHBondContact O-N 3.23Å; E83-R85 VanDerWaalsContact C-N 3.31Å; E83-R85 PolarHBondContact O-N 2.9Å; E83-V86 PolarHBondContact O-N 2.87Å; E83-F87 PolarHBondContact O-N 3.49Å; E83-M130 HydrophobicContact CB-CE 3.81Å; E83-M130 HydrophobicContact CG-CE 3.73Å; E83-N134 PolarHBondContact OE1-ND2 3.46Å; E83-I136 HydrophobicContact CG-CD1 3.49Å; E83-I136 VanDerWaalsContact CG-CD1 3.49Å; E83-I136 WeakPolarHBondContact OE1-CD1 3.2Å
84Y89.5Confident83.9Confident128 Ų12861.5 Ų61.550%0.50229%0.287SS..Hα-helixtrans-61.5-39.6171.9-73.3-65000111.9L62 E80 V81 V86 F87 Y88L62-Y84 HydrophobicContact CD1-CG 4.42Å; L62-Y84 HydrophobicContact CD2-CD2 4.44Å; L62-Y84 HydrophobicContact CD2-CG 4.35Å; E80-Y84 WeakPolarHBondContact O-CD2 3.43Å; E80-Y84 PolarHBondContact O-N 3.46Å; V81-Y84 PolarHBondContact O-N 3.49Å; Y84-V86 PolarHBondContact O-N 3.33Å; Y84-F87 WeakPolarHBondContact O-CB 3.19Å; Y84-F87 PolarHBondContact O-N 3.16Å; Y84-F87 VanDerWaalsContact O-N 3.16Å; Y84-Y88 HydrophobicContact CD1-CE2 4.35Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.28Å; Y84-Y88 PolarHBondContact O-N 3.42Å
85R90.3Very high85.5Confident35 Ų3564 Ų6413%0.13229%0.291CS..Hα-helixtrans-56.8-48.8177.5179.462.3-176.4-168.17.2111.7W59 E66 V81 R82 E83 F87 Y88 L89 E121 I125W59-R85 VanDerWaalsContact CZ2-NH1 3.26Å; E66-R85 WeakPolarHBondContact OE2-CD 3.28Å; E66-R85 IonicContact OE2-CZ 2.73Å; E66-R85 IonicContact OE2-NE 3.56Å; E66-R85 IonicContact OE2-NH1 3.82Å; E66-R85 PolarHBondContact OE2-NH1 2.97Å; V81-R85 WeakPolarHBondContact O-CB 3.1Å; V81-R85 PolarHBondContact O-N 2.91Å; R82-R85 WeakPolarHBondContact O-CB 3.17Å; R82-R85 PolarHBondContact O-N 3.47Å; E83-R85 VanDerWaalsContact C-N 3.31Å; E83-R85 PolarHBondContact O-N 2.9Å; R85-F87 VanDerWaalsContact C-N 3.34Å; R85-F87 PolarHBondContact O-N 3.35Å; R85-Y88 PolarHBondContact O-N 2.97Å; R85-L89 HydrophobicContact CG-CD1 4.03Å; R85-L89 WeakPolarHBondContact O-CB 3.25Å; R85-L89 WeakPolarHBondContact O-CG 3.5Å; R85-L89 PolarHBondContact O-N 3.42Å; R85-E121 IonicContact CZ-OE1 3.82Å; R85-E121 IonicContact NE-OE1 3.09Å; R85-E121 IonicContact NH2-OE1 3.92Å; R85-E121 PolarHBondContact NH2-OE1 3.2Å; R85-I125 HydrophobicContact CG-CD1 3.92Å
86V94.3Very high87.1Confident0 Ų059.7 Ų59.70%027%0.268CS..Hα-helixtrans-59.7-45.8175.5173.90000110.5R82 E83 Y84 Y88 L89 K90 A122 I125 M130 I136 L140R82-V86 WeakPolarHBondContact O-CG2 3.48Å; R82-V86 PolarHBondContact O-N 2.79Å; E83-V86 PolarHBondContact O-N 2.87Å; Y84-V86 PolarHBondContact O-N 3.33Å; V86-Y88 PolarHBondContact O-N 3.41Å; V86-L89 PolarHBondContact O-N 2.85Å; V86-K90 VanDerWaalsContact O-CB 3.3Å; V86-K90 WeakPolarHBondContact O-CB 3.28Å; V86-K90 PolarHBondContact O-N 3.03Å; V86-A122 HydrophobicContact CG1-CB 4.37Å; V86-I125 HydrophobicContact CG2-CB 3.82Å; V86-I125 HydrophobicContact CG2-CG2 3.52Å; V86-M130 HydrophobicContact CB-CE 3.63Å; V86-M130 HydrophobicContact CB-SD 4.47Å; V86-M130 HydrophobicContact CG1-CE 3.98Å; V86-M130 HydrophobicContact CG1-SD 4.23Å; V86-M130 HydrophobicContact CG2-CE 3.69Å; V86-M130 HydrophobicContact CG2-SD 4.41Å; V86-I136 HydrophobicContact CB-CG2 4.43Å; V86-I136 HydrophobicContact CG1-CG2 3.85Å; V86-L140 HydrophobicContact CG1-CD2 3.92Å
87F93Very high88.9Confident80 Ų8052 Ų5235%0.35123%0.231SC..Hα-helixtrans-57.3-46.7179177.9-96000112.8E83 Y84 R85 K90 M91 I136E83-F87 PolarHBondContact O-N 3.49Å; Y84-F87 WeakPolarHBondContact O-CB 3.19Å; Y84-F87 PolarHBondContact O-N 3.16Å; Y84-F87 VanDerWaalsContact O-N 3.16Å; R85-F87 VanDerWaalsContact C-N 3.34Å; R85-F87 PolarHBondContact O-N 3.35Å; F87-K90 WeakPolarHBondContact O-CB 3.32Å; F87-M91 HydrophobicContact CD1-CE 4.09Å; F87-M91 HydrophobicContact CE1-CE 3.28Å; F87-M91 HydrophobicContact CZ-CE 3.7Å; F87-M91 WeakPolarHBondContact O-CB 3.31Å; F87-M91 PolarHBondContact O-N 3.23Å; F87-I136 HydrophobicContact CB-CD1 4.5Å; F87-I136 HydrophobicContact CB-CG2 4.31Å
88Y91.7Very high90.5Very high32 Ų3250.7 Ų50.713%0.12522%0.223CC..Hα-helixtrans-76.6-30-180-74.7-77.5000113.5A58 W59 L62 Y84 R85 V86 M91 K92A58-Y88 HydrophobicContact CB-CE1 4.06Å; A58-Y88 WeakPolarHBondContact CB-OH 3.4Å; W59-Y88 HydrophobicContact CB-CD1 4.36Å; W59-Y88 HydrophobicContact CE3-CD1 4.44Å; W59-Y88 HydrophobicContact CE3-CD2 4.35Å; W59-Y88 AromaticContact CE3-CG 3.77Å; W59-Y88 HydrophobicContact CE3-CG 3.77Å; W59-Y88 HydrophobicContact CZ3-CG 4.34Å; L62-Y88 HydrophobicContact CD1-CD2 3.43Å; L62-Y88 VanDerWaalsContact CD1-CD2 3.43Å; L62-Y88 HydrophobicContact CD1-CE2 2.95Å; L62-Y88 HydrophobicContact CG-CE2 4.45Å; Y84-Y88 HydrophobicContact CD1-CE2 4.35Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.28Å; Y84-Y88 PolarHBondContact O-N 3.42Å; R85-Y88 PolarHBondContact O-N 2.97Å; V86-Y88 PolarHBondContact O-N 3.41Å; Y88-M91 HydrophobicContact CD1-CE 4.36Å; Y88-M91 HydrophobicContact CD1-SD 4.39Å; Y88-M91 HydrophobicContact CE1-CE 4.44Å; Y88-M91 PolarHBondContact O-N 3.28Å; Y88-K92 WeakPolarHBondContact O-CB 3.47Å; Y88-K92 PolarHBondContact O-N 3.1Å
89L94.8Very high91.5Very high0 Ų054.7 Ų54.70%024%0.242CC..Hα-helixtrans-66.9-43.2170.9-75.9170.3000111.4W59 R85 V86 M91 K92 G93 E121 A122 I125W59-L89 HydrophobicContact CH2-CD2 3.64Å; W59-L89 HydrophobicContact CH2-CG 3.81Å; W59-L89 HydrophobicContact CZ2-CD2 4.39Å; W59-L89 HydrophobicContact CZ3-CG 4.27Å; R85-L89 HydrophobicContact CG-CD1 4.03Å; R85-L89 WeakPolarHBondContact O-CB 3.25Å; R85-L89 WeakPolarHBondContact O-CG 3.5Å; R85-L89 PolarHBondContact O-N 3.42Å; V86-L89 PolarHBondContact O-N 2.85Å; L89-M91 VanDerWaalsContact C-N 3.3Å; L89-M91 PolarHBondContact O-N 3.47Å; L89-K92 WeakPolarHBondContact O-CB 3.36Å; L89-K92 PolarHBondContact O-N 2.87Å; L89-G93 PolarHBondContact O-N 3.2Å; L89-E121 HydrophobicContact CD1-CB 4.14Å; L89-E121 HydrophobicContact CD1-CG 3.7Å; L89-E121 HydrophobicContact CD2-CB 4.47Å; L89-E121 HydrophobicContact CD2-CG 4.31Å; L89-E121 WeakPolarHBondContact CD2-OE2 3.24Å; L89-A122 HydrophobicContact CB-CB 3.64Å; L89-A122 HydrophobicContact CD1-CB 4.41Å; L89-I125 HydrophobicContact CD1-CD1 3.73Å
90K95.9Very high92.3Very high35 Ų3551.4 Ų51.415%0.15222%0.221CC..Hα-helixtrans-53.5-50.2169.7177.7-168.5174.2-67.90110.2V86 F87 K92 G93 D94 G139 L140 N143V86-K90 VanDerWaalsContact O-CB 3.3Å; V86-K90 WeakPolarHBondContact O-CB 3.28Å; V86-K90 PolarHBondContact O-N 3.03Å; F87-K90 WeakPolarHBondContact O-CB 3.32Å; K90-K92 VanDerWaalsContact C-N 3.35Å; K90-K92 PolarHBondContact O-N 3.21Å; K90-G93 WeakPolarHBondContact O-CA 3.45Å; K90-G93 PolarHBondContact O-N 3.41Å; K90-G93 VanDerWaalsContact O-N 3.15Å; K90-D94 IonicContact NZ-OD2 3.89Å; K90-D94 PolarHBondContact NZ-OD2 2.98Å; K90-D94 PolarHBondContact O-N 3.44Å; K90-G139 VanDerWaalsContact CE-C 3.4Å; K90-G139 WeakPolarHBondContact CE-O 3.39Å; K90-L140 HydrophobicContact CB-CB 4.47Å; K90-L140 HydrophobicContact CB-CD1 3.86Å; K90-L140 HydrophobicContact CD-CB 4.04Å; K90-L140 HydrophobicContact CG-CB 4.19Å; K90-L140 HydrophobicContact CG-CD1 3.9Å; K90-N143 PolarHBondContact NZ-ND2 3.42Å
91M93.7Very high92.9Very high30 Ų3050.8 Ų50.815%0.14822%0.218CC..Hα-helixtrans-60.7-42.5178.8-172.7-174-5900112Q55 F87 Y88 L89 G93 D94 Y95Q55-M91 HydrophobicContact CB-SD 4.09Å; Q55-M91 HydrophobicContact CG-SD 4.02Å; F87-M91 HydrophobicContact CD1-CE 4.09Å; F87-M91 HydrophobicContact CE1-CE 3.28Å; F87-M91 HydrophobicContact CZ-CE 3.7Å; F87-M91 WeakPolarHBondContact O-CB 3.31Å; F87-M91 PolarHBondContact O-N 3.23Å; Y88-M91 HydrophobicContact CD1-CE 4.36Å; Y88-M91 HydrophobicContact CD1-SD 4.39Å; Y88-M91 HydrophobicContact CE1-CE 4.44Å; Y88-M91 PolarHBondContact O-N 3.28Å; L89-M91 VanDerWaalsContact C-N 3.3Å; L89-M91 PolarHBondContact O-N 3.47Å; M91-G93 VanDerWaalsContact C-N 3.32Å; M91-G93 PolarHBondContact O-N 3.39Å; M91-D94 WeakPolarHBondContact O-CB 3.36Å; M91-D94 PolarHBondContact O-N 3.19Å; M91-Y95 HydrophobicContact CG-CD2 3.77Å; M91-Y95 HydrophobicContact CG-CE2 3.51Å; M91-Y95 WeakPolarHBondContact O-CD2 3.38Å; M91-Y95 PolarHBondContact O-N 3Å; M91-Y95 HydrophobicContact SD-CE2 3.92Å
92K93.7Very high93.4Very high77 Ų7755.3 Ų55.334%0.33525%0.245SC..Hα-helixtrans-58.4-45174177.8-174.1170.9-165.70111Y88 L89 K90 Y95 Y96 A118Y88-K92 WeakPolarHBondContact O-CB 3.47Å; Y88-K92 PolarHBondContact O-N 3.1Å; L89-K92 WeakPolarHBondContact O-CB 3.36Å; L89-K92 PolarHBondContact O-N 2.87Å; K90-K92 VanDerWaalsContact C-N 3.35Å; K90-K92 PolarHBondContact O-N 3.21Å; K92-Y95 PolarHBondContact O-N 2.92Å; K92-Y96 HydrophobicContact CD-CE2 4.35Å; K92-Y96 HydrophobicContact CG-CD2 3.93Å; K92-Y96 HydrophobicContact CG-CE2 3.71Å; K92-Y96 WeakPolarHBondContact O-CD2 3.34Å; K92-Y96 PolarHBondContact O-N 2.93Å; K92-Y96 VanDerWaalsContact O-N 3.08Å; K92-A118 HydrophobicContact CB-CB 4.24Å; K92-A118 HydrophobicContact CD-CB 3.92Å; K92-A118 HydrophobicContact CG-CB 3.92Å
93G96.7Very high93.8Very high0 Ų052.9 Ų52.90%024%0.24CC..Hα-helixtrans-57.4-47.4172.500000112.2L89 K90 M91 Y95 Y96 R97L89-G93 PolarHBondContact O-N 3.2Å; K90-G93 WeakPolarHBondContact O-CA 3.45Å; K90-G93 PolarHBondContact O-N 3.41Å; K90-G93 VanDerWaalsContact O-N 3.15Å; M91-G93 VanDerWaalsContact C-N 3.32Å; M91-G93 PolarHBondContact O-N 3.39Å; G93-Y95 PolarHBondContact O-N 2.98Å; G93-Y96 PolarHBondContact O-N 2.84Å; G93-R97 WeakPolarHBondContact O-CB 3.21Å; G93-R97 PolarHBondContact O-N 3.15Å
94D96.4Very high93.8Very high10 Ų1055.2 Ų55.25%0.05326%0.259CS..Hα-helixtrans-58.3-45.6177.8-69.4-34.9000112.1K90 M91 R97 Y98 Y119 N143K90-D94 IonicContact NZ-OD2 3.89Å; K90-D94 PolarHBondContact NZ-OD2 2.98Å; K90-D94 PolarHBondContact O-N 3.44Å; M91-D94 WeakPolarHBondContact O-CB 3.36Å; M91-D94 PolarHBondContact O-N 3.19Å; D94-R97 WeakPolarHBondContact O-CB 3.44Å; D94-R97 PolarHBondContact O-N 2.92Å; D94-R97 IonicContact OD1-NE 2.78Å; D94-R97 IonicContact OD1-NH2 3.13Å; D94-R97 PolarHBondContact OD1-NH2 2.83Å; D94-Y98 HydrophobicContact CB-CE2 4.03Å; D94-Y98 WeakPolarHBondContact O-CD2 3.3Å; D94-Y98 WeakPolarHBondContact O-CE2 3.41Å; D94-Y98 PolarHBondContact O-N 3.25Å; D94-Y119 VanDerWaalsContact CA-OH 3.26Å; D94-Y119 WeakPolarHBondContact CA-OH 3.37Å; D94-Y119 PolarHBondContact N-OH 3.33Å; D94-Y119 PolarHBondContact OD1-OH 3.43Å; D94-N143 VanDerWaalsContact CG-ND2 3.28Å; D94-N143 WeakPolarHBondContact OD1-CB 3.5Å; D94-N143 PolarHBondContact OD1-ND2 3.46Å; D94-N143 PolarHBondContact OD2-ND2 3.36Å; D94-N143 VanDerWaalsContact OD2-ND2 3.09Å
95Y93.7Very high93.9Very high94 Ų9452.1 Ų52.137%0.36927%0.266SS..Hα-helixtrans-66.9-39177.7-80.6-74.7000113.1V52 M91 K92 G93 R97 Y98 L99V52-Y95 HydrophobicContact CG2-CE1 4.1Å; M91-Y95 HydrophobicContact CG-CD2 3.77Å; M91-Y95 HydrophobicContact CG-CE2 3.51Å; M91-Y95 WeakPolarHBondContact O-CD2 3.38Å; M91-Y95 PolarHBondContact O-N 3Å; M91-Y95 HydrophobicContact SD-CE2 3.92Å; K92-Y95 PolarHBondContact O-N 2.92Å; G93-Y95 PolarHBondContact O-N 2.98Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; Y95-Y98 HydrophobicContact CD1-CD2 4.22Å; Y95-Y98 PolarHBondContact O-N 3.45Å; Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.41Å; Y95-L99 PolarHBondContact O-N 3.45Å
96Y96.3Very high93.8Very high78 Ų7857.7 Ų57.731%0.30630%0.299SS..Hα-helixtrans-66.7-35.1172.9-77.7-62.9000111.9K92 G93 L99 A100 I111K92-Y96 HydrophobicContact CD-CE2 4.35Å; K92-Y96 HydrophobicContact CG-CD2 3.93Å; K92-Y96 HydrophobicContact CG-CE2 3.71Å; K92-Y96 WeakPolarHBondContact O-CD2 3.34Å; K92-Y96 PolarHBondContact O-N 2.93Å; K92-Y96 VanDerWaalsContact O-N 3.08Å; G93-Y96 PolarHBondContact O-N 2.84Å; Y96-L99 HydrophobicContact CD1-CD1 4.21Å; Y96-L99 PolarHBondContact O-N 3.39Å; Y96-A100 WeakPolarHBondContact O-CB 3.3Å; Y96-A100 PolarHBondContact O-N 2.94Å; Y96-I111 HydrophobicContact CD1-CG2 4.18Å; Y96-I111 WeakPolarHBondContact O-CG2 3.26Å
97R96.4Very high93.6Very high20 Ų2061.8 Ų61.88%0.07532%0.32CS..Hα-helixtrans-59.1-50.7172.5-175.1176.750.175.6-1.1111G93 D94 Y95 L99 A100 E101 Y119 F147 I151G93-R97 WeakPolarHBondContact O-CB 3.21Å; G93-R97 PolarHBondContact O-N 3.15Å; D94-R97 WeakPolarHBondContact O-CB 3.44Å; D94-R97 PolarHBondContact O-N 2.92Å; D94-R97 IonicContact OD1-NE 2.78Å; D94-R97 IonicContact OD1-NH2 3.13Å; D94-R97 PolarHBondContact OD1-NH2 2.83Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; R97-L99 VanDerWaalsContact C-N 3.27Å; R97-L99 PolarHBondContact O-N 3.01Å; R97-A100 WeakPolarHBondContact O-CA 3.32Å; R97-A100 WeakPolarHBondContact O-CB 3.47Å; R97-A100 PolarHBondContact O-N 3.01Å; R97-E101 IonicContact NH1-OE1 3.64Å; R97-E101 PolarHBondContact NH1-OE1 3.21Å; R97-E101 VanDerWaalsContact NH1-OE1 3.09Å; R97-E101 PolarHBondContact O-N 2.94Å; R97-E101 VanDerWaalsContact O-N 3.13Å; R97-Y119 PolarHBondContact NE-OH 2.87Å; R97-F147 HydrophobicContact CB-CD2 4.4Å; R97-F147 HydrophobicContact CG-CD2 4.19Å; R97-I151 HydrophobicContact CG-CG1 3.76Å
98Y94.1Very high93.6Very high107 Ų10761.9 Ų61.942%0.4232%0.32SS..Hα-helixtrans-59.7-37.2175.8-55.6-40.5000112.7D94 Y95 A100D94-Y98 HydrophobicContact CB-CE2 4.03Å; D94-Y98 WeakPolarHBondContact O-CD2 3.3Å; D94-Y98 WeakPolarHBondContact O-CE2 3.41Å; D94-Y98 PolarHBondContact O-N 3.25Å; Y95-Y98 HydrophobicContact CD1-CD2 4.22Å; Y95-Y98 PolarHBondContact O-N 3.45Å; Y98-A100 VanDerWaalsContact C-N 3.34Å
99L94Very high93.7Very high90 Ų9067.5 Ų67.547%0.47135%0.346SS..Hα-helixtrans-66.8-36173.7-71.9170.8000111.9Y95 Y96 R97 E101 V102 A103 I111Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.41Å; Y95-L99 PolarHBondContact O-N 3.45Å; Y96-L99 HydrophobicContact CD1-CD1 4.21Å; Y96-L99 PolarHBondContact O-N 3.39Å; R97-L99 VanDerWaalsContact C-N 3.27Å; R97-L99 PolarHBondContact O-N 3.01Å; L99-E101 VanDerWaalsContact C-N 3.31Å; L99-E101 PolarHBondContact O-N 3.12Å; L99-V102 WeakPolarHBondContact O-CG2 3.37Å; L99-V102 PolarHBondContact O-N 3.22Å; L99-A103 VanDerWaalsContact O-CB 3.22Å; L99-A103 WeakPolarHBondContact O-CB 3.06Å; L99-A103 PolarHBondContact O-N 2.95Å; L99-I111 HydrophobicContact CB-CD1 4.33Å; L99-I111 HydrophobicContact CB-CG2 3.79Å
100A95Very high93.7Very high0 Ų075 Ų750%037%0.374CS..Hα-helixtrans-67.6-31179.400000112.6Y96 R97 Y98 V102 K108 I111 I112 I151Y96-A100 WeakPolarHBondContact O-CB 3.3Å; Y96-A100 PolarHBondContact O-N 2.94Å; R97-A100 WeakPolarHBondContact O-CA 3.32Å; R97-A100 WeakPolarHBondContact O-CB 3.47Å; R97-A100 PolarHBondContact O-N 3.01Å; Y98-A100 VanDerWaalsContact C-N 3.34Å; A100-V102 VanDerWaalsContact C-N 3.26Å; A100-V102 PolarHBondContact O-N 3.24Å; A100-K108 WeakPolarHBondContact O-CE 3.29Å; A100-I111 HydrophobicContact CB-CG2 3.83Å; A100-I112 HydrophobicContact CB-CG1 3.92Å; A100-I151 HydrophobicContact CB-CG2 3.71Å
101E93.8Very high93.7Very high95 Ų9574.6 Ų74.644%0.44437%0.373SS..Hα-helixtrans-60.7-35.2176.9-70.3165.5-160.400111.8R97 L99 I151R97-E101 IonicContact NH1-OE1 3.64Å; R97-E101 PolarHBondContact NH1-OE1 3.21Å; R97-E101 VanDerWaalsContact NH1-OE1 3.09Å; R97-E101 PolarHBondContact O-N 2.94Å; R97-E101 VanDerWaalsContact O-N 3.13Å; L99-E101 VanDerWaalsContact C-N 3.31Å; L99-E101 PolarHBondContact O-N 3.12Å; E101-I151 HydrophobicContact CG-CD1 3.67Å
102V93.9Very high93.8Very high115 Ų11574.4 Ų74.470%0.69737%0.372SS*.Hα-helixtrans-105.2-13.1-177.4-60.20000114.2L99 A100L99-V102 WeakPolarHBondContact O-CG2 3.37Å; L99-V102 PolarHBondContact O-N 3.22Å; A100-V102 VanDerWaalsContact C-N 3.26Å; A100-V102 PolarHBondContact O-N 3.24Å
103A92.9Very high93.9Very high18 Ų1874.3 Ų74.315%0.14938%0.376CS..  trans-72.6151.7-179.100000112.4L99 K108 I111L99-A103 VanDerWaalsContact O-CB 3.22Å; L99-A103 WeakPolarHBondContact O-CB 3.06Å; L99-A103 PolarHBondContact O-N 2.95Å; A103-K108 HydrophobicContact CB-CB 3.96Å; A103-K108 HydrophobicContact CB-CG 4.28Å; A103-K108 WeakPolarHBondContact O-CD 3.21Å; A103-I111 HydrophobicContact CB-CD1 3.61Å
104T90.2Very high93.9Very high116 Ų11676 Ų7671%0.71239%0.388SS*.  trans-133.4161.3176.358.90000110.6
105G90.3Very high94Very high63 Ų6375.6 Ų75.665%0.64939%0.385SS*.Hα-helixtrans62.1-149.5177.700000114.4D107 K108G105-D107 PolarHBondContact O-N 2.59Å; G105-K108 WeakPolarHBondContact O-CB 3.28Å; G105-K108 PolarHBondContact O-N 3.09Å; G105-K108 VanDerWaalsContact O-N 3.12Å
106D88.5Confident94.2Very high152 Ų15275.3 Ų75.381%0.81338%0.384SS*.Hα-helixtrans-63.3-28.5-175.8-66.7-26.1000113.3K108 K109 R110D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.02Å; D106-K109 PolarHBondContact O-N 2.77Å; D106-R110 PolarHBondContact O-N 2.96Å
107D90.8Very high94.2Very high86 Ų8675 Ų7546%0.4639%0.393SS..Hα-helixtrans-62.4-36.9176.1-82-32.2000111.7G105 K109 R110 I111G105-D107 PolarHBondContact O-N 2.59Å; D107-K109 VanDerWaalsContact C-N 3.35Å; D107-K109 PolarHBondContact O-N 3.43Å; D107-R110 PolarHBondContact O-N 3.39Å; D107-R110 IonicContact OD1-CZ 3.68Å; D107-R110 IonicContact OD1-NE 2.92Å; D107-R110 IonicContact OD1-NH2 3.76Å; D107-R110 PolarHBondContact OD1-NH2 3.44Å; D107-I111 HydrophobicContact CB-CD1 4.47Å; D107-I111 WeakPolarHBondContact O-CB 3.4Å; D107-I111 WeakPolarHBondContact O-CD1 3.35Å; D107-I111 WeakPolarHBondContact O-CG1 3.48Å; D107-I111 PolarHBondContact O-N 3.24Å
108K93.5Very high94.3Very high81 Ų8174 Ų7435%0.35239%0.389SS..Hα-helixtrans-59.2-46.2178.9-171.9173.4-173.6161.90111.1A100 A103 G105 D106 R110 I111 I112A100-K108 WeakPolarHBondContact O-CE 3.29Å; A103-K108 HydrophobicContact CB-CB 3.96Å; A103-K108 HydrophobicContact CB-CG 4.28Å; A103-K108 WeakPolarHBondContact O-CD 3.21Å; G105-K108 WeakPolarHBondContact O-CB 3.28Å; G105-K108 PolarHBondContact O-N 3.09Å; G105-K108 VanDerWaalsContact O-N 3.12Å; D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.02Å; K108-R110 PolarHBondContact O-N 2.97Å; K108-I111 PolarHBondContact O-N 3.44Å; K108-I112 HydrophobicContact CD-CD1 4.5Å; K108-I112 HydrophobicContact CG-CD1 3.89Å; K108-I112 HydrophobicContact CG-CG1 4.39Å; K108-I112 VanDerWaalsContact O-CG1 3.26Å; K108-I112 WeakPolarHBondContact O-CG1 3.44Å; K108-I112 PolarHBondContact O-N 3.09Å
109K93.3Very high94.5Very high150 Ų15069 Ų6965%0.65237%0.369SS*.Hα-helixtrans-60.6-48.6-179.6-174.7176.4179.6178.90111.8D106 D107 I111 I112 D113D106-K109 PolarHBondContact O-N 2.77Å; D107-K109 VanDerWaalsContact C-N 3.35Å; D107-K109 PolarHBondContact O-N 3.43Å; K109-I111 VanDerWaalsContact C-N 3.28Å; K109-I111 PolarHBondContact O-N 3.38Å; K109-I112 PolarHBondContact O-N 2.86Å; K109-D113 PolarHBondContact O-N 2.96Å
110R95.2Very high94.7Very high159 Ų15968.6 Ų68.660%0.637%0.365SS*.Hα-helixtrans-59.7-39.2178179.217861.7165-2.4112.5D106 D107 K108 S114D106-R110 PolarHBondContact O-N 2.96Å; D107-R110 PolarHBondContact O-N 3.39Å; D107-R110 IonicContact OD1-CZ 3.68Å; D107-R110 IonicContact OD1-NE 2.92Å; D107-R110 IonicContact OD1-NH2 3.76Å; D107-R110 PolarHBondContact OD1-NH2 3.44Å; K108-R110 PolarHBondContact O-N 2.97Å; R110-S114 WeakPolarHBondContact O-CB 3.34Å; R110-S114 PolarHBondContact O-N 3.46Å; R110-S114 PolarHBondContact O-OG 3.15Å
111I95.6Very high94.7Very high26 Ų2671.7 Ų71.713%0.13338%0.379CS..Hα-helixtrans-67.8-43.9178.3-70165000110.6Y96 L99 A100 A103 D107 K108 K109 D113 S114 A115Y96-I111 HydrophobicContact CD1-CG2 4.18Å; Y96-I111 WeakPolarHBondContact O-CG2 3.26Å; L99-I111 HydrophobicContact CB-CD1 4.33Å; L99-I111 HydrophobicContact CB-CG2 3.79Å; A100-I111 HydrophobicContact CB-CG2 3.83Å; A103-I111 HydrophobicContact CB-CD1 3.61Å; D107-I111 HydrophobicContact CB-CD1 4.47Å; D107-I111 WeakPolarHBondContact O-CB 3.4Å; D107-I111 WeakPolarHBondContact O-CD1 3.35Å; D107-I111 WeakPolarHBondContact O-CG1 3.48Å; D107-I111 PolarHBondContact O-N 3.24Å; K108-I111 PolarHBondContact O-N 3.44Å; K109-I111 VanDerWaalsContact C-N 3.28Å; K109-I111 PolarHBondContact O-N 3.38Å; I111-D113 PolarHBondContact O-N 3.41Å; I111-S114 WeakPolarHBondContact O-CB 3.38Å; I111-S114 PolarHBondContact O-N 3.49Å; I111-A115 PolarHBondContact O-N 3.28Å
112I96Very high94.9Very high25 Ų2567.1 Ų67.113%0.12836%0.358CS..Hα-helixtrans-59.5-46.4175.7-69175.3000110.9A100 K108 K109 S114 A115 R116 F147 I151A100-I112 HydrophobicContact CB-CG1 3.92Å; K108-I112 HydrophobicContact CD-CD1 4.5Å; K108-I112 HydrophobicContact CG-CD1 3.89Å; K108-I112 HydrophobicContact CG-CG1 4.39Å; K108-I112 VanDerWaalsContact O-CG1 3.26Å; K108-I112 WeakPolarHBondContact O-CG1 3.44Å; K108-I112 PolarHBondContact O-N 3.09Å; K109-I112 PolarHBondContact O-N 2.86Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 2.9Å; I112-A115 WeakPolarHBondContact O-CB 3.24Å; I112-A115 PolarHBondContact O-N 3.21Å; I112-R116 WeakPolarHBondContact O-CB 3.43Å; I112-R116 PolarHBondContact O-N 2.77Å; I112-F147 HydrophobicContact CG2-CE2 4.28Å; I112-F147 HydrophobicContact CG2-CZ 3.83Å; I112-I151 HydrophobicContact CD1-CG2 3.91Å; I112-I151 HydrophobicContact CG1-CG2 3.65Å
113D96.2Very high95.1Very high76 Ų7661.9 Ų61.941%0.40633%0.326SS..Hα-helixtrans-62.2-37.2177.8-69.4-26.6000111.7K109 I111 R116 S117K109-D113 PolarHBondContact O-N 2.96Å; I111-D113 PolarHBondContact O-N 3.41Å; D113-R116 IonicContact OD1-NH1 2.79Å; D113-S117 WeakPolarHBondContact O-CB 3.5Å; D113-S117 PolarHBondContact O-N 2.94Å
114S96.8Very high95.2Very high36 Ų3664.7 Ų64.725%0.25234%0.338SS..Hα-helixtrans-67.7-40.6175.8-57.90000112.5R110 I111 I112 A118R110-S114 WeakPolarHBondContact O-CB 3.34Å; R110-S114 PolarHBondContact O-N 3.46Å; R110-S114 PolarHBondContact O-OG 3.15Å; I111-S114 WeakPolarHBondContact O-CB 3.38Å; I111-S114 PolarHBondContact O-N 3.49Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 2.9Å; S114-A118 WeakPolarHBondContact O-CB 3.48Å; S114-A118 PolarHBondContact O-N 3.07Å; S114-A118 VanDerWaalsContact O-N 3.11Å
115A97.4Very high95.4Very high0 Ų060.8 Ų60.80%031%0.313CS..Hα-helixtrans-61.6-50.7174.100000110.7I111 I112 S117 A118 Y119 F147I111-A115 PolarHBondContact O-N 3.28Å; I112-A115 WeakPolarHBondContact O-CB 3.24Å; I112-A115 PolarHBondContact O-N 3.21Å; A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 2.86Å; A115-A118 PolarHBondContact O-N 3.12Å; A115-Y119 HydrophobicContact CB-CE2 4.49Å; A115-Y119 VanDerWaalsContact O-CD2 3.24Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 3Å; A115-F147 HydrophobicContact CB-CD2 4.05Å; A115-F147 HydrophobicContact CB-CE2 3.48Å; A115-F147 VanDerWaalsContact CB-CE2 3.48Å; A115-F147 HydrophobicContact CB-CZ 3.99Å
116R97.5Very high95.6Very high89 Ų8957.8 Ų57.834%0.33628%0.282SS..Hα-helixtrans-57.5-46.8179-175.2-178.7-73.2146.6-7.7111.6I112 D113 A118 Y119 Q120 F147I112-R116 WeakPolarHBondContact O-CB 3.43Å; I112-R116 PolarHBondContact O-N 2.77Å; D113-R116 IonicContact OD1-NH1 2.79Å; R116-A118 PolarHBondContact O-N 3.46Å; R116-Y119 PolarHBondContact O-N 2.92Å; R116-Q120 VanDerWaalsContact O-CB 3.29Å; R116-Q120 WeakPolarHBondContact O-CB 3.45Å; R116-Q120 PolarHBondContact O-N 3.41Å; R116-F147 HydrophobicContact CB-CE1 3.94Å; R116-F147 HydrophobicContact CB-CZ 4Å; R116-F147 HydrophobicContact CG-CE1 4.43Å
117S97.8Very high95.9Very high71 Ų7155.6 Ų55.650%0.49727%0.265SS..Hα-helixtrans-60.8-43178.3174.50000112.2D113 A115 E121D113-S117 WeakPolarHBondContact O-CB 3.5Å; D113-S117 PolarHBondContact O-N 2.94Å; A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 2.86Å; S117-E121 WeakPolarHBondContact O-CB 3.43Å; S117-E121 PolarHBondContact O-N 2.93Å
118A97.3Very high95.9Very high0 Ų059.5 Ų59.50%028%0.278CS..Hα-helixtrans-67-43.6179.600000112.5K92 S114 A115 R116 A122K92-A118 HydrophobicContact CB-CB 4.24Å; K92-A118 HydrophobicContact CD-CB 3.92Å; K92-A118 HydrophobicContact CG-CB 3.92Å; S114-A118 WeakPolarHBondContact O-CB 3.48Å; S114-A118 PolarHBondContact O-N 3.07Å; S114-A118 VanDerWaalsContact O-N 3.11Å; A115-A118 PolarHBondContact O-N 3.12Å; R116-A118 PolarHBondContact O-N 3.46Å; A118-A122 WeakPolarHBondContact O-CB 3.45Å; A118-A122 PolarHBondContact O-N 3.09Å; A118-A122 VanDerWaalsContact O-N 3.09Å
119Y98.3Very high95.8Very high0 Ų059.7 Ų59.70%028%0.28CS..Hα-helixtrans-66.2-42.4176.3-74.5-54.3000112.3D94 R97 A115 R116 A122 M123 L140 N143 F144 F147D94-Y119 VanDerWaalsContact CA-OH 3.26Å; D94-Y119 WeakPolarHBondContact CA-OH 3.37Å; D94-Y119 PolarHBondContact N-OH 3.33Å; D94-Y119 PolarHBondContact OD1-OH 3.43Å; R97-Y119 PolarHBondContact NE-OH 2.87Å; A115-Y119 HydrophobicContact CB-CE2 4.49Å; A115-Y119 VanDerWaalsContact O-CD2 3.24Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 3Å; R116-Y119 PolarHBondContact O-N 2.92Å; Y119-A122 WeakPolarHBondContact O-CB 3.42Å; Y119-A122 PolarHBondContact O-N 3.43Å; Y119-M123 WeakPolarHBondContact O-CG 3.37Å; Y119-M123 PolarHBondContact O-N 3.31Å; Y119-L140 HydrophobicContact CD1-CD1 3.65Å; Y119-L140 HydrophobicContact CE1-CD1 4.34Å; Y119-N143 HydrophobicContact CE1-CB 4.23Å; Y119-F144 VanDerWaalsContact CB-CE2 3.46Å; Y119-F144 HydrophobicContact CD1-CB 4.18Å; Y119-F144 HydrophobicContact CD1-CD2 4.47Å; Y119-F144 HydrophobicContact CD1-CG 4.44Å; Y119-F144 AromaticContact CD2-CD2 3.55Å; Y119-F144 HydrophobicContact CD2-CD2 3.55Å; Y119-F144 HydrophobicContact CD2-CE2 4.01Å; Y119-F144 HydrophobicContact CD2-CG 4.28Å; Y119-F144 HydrophobicContact CE2-CD2 4.41Å; Y119-F144 HydrophobicContact CG-CB 4.1Å; Y119-F144 AromaticContact CG-CD2 3.58Å; Y119-F144 HydrophobicContact CG-CD2 3.58Å; Y119-F144 HydrophobicContact CG-CE2 4.09Å; Y119-F144 AromaticContact CG-CG 3.89Å; Y119-F144 HydrophobicContact CG-CG 3.89Å; Y119-F147 HydrophobicContact CD2-CB 4.29Å; Y119-F147 HydrophobicContact CD2-CD1 4.38Å; Y119-F147 HydrophobicContact CD2-CG 4.14Å; Y119-F147 HydrophobicContact CE2-CB 3.82Å; Y119-F147 HydrophobicContact CE2-CD2 4.14Å; Y119-F147 AromaticContact CE2-CG 3.94Å; Y119-F147 HydrophobicContact CE2-CG 3.94Å
120Q97.8Very high95.7Very high82 Ų8253.1 Ų53.138%0.38325%0.252SS..Hα-helixtrans-63.2-44.5178.5-171.762.153.900111.6R116 A122 M123 D124R116-Q120 VanDerWaalsContact O-CB 3.29Å; R116-Q120 WeakPolarHBondContact O-CB 3.45Å; R116-Q120 PolarHBondContact O-N 3.41Å; Q120-A122 VanDerWaalsContact C-N 3.29Å; Q120-A122 PolarHBondContact O-N 3.42Å; Q120-M123 PolarHBondContact O-N 2.71Å; Q120-M123 VanDerWaalsContact O-N 3.13Å; Q120-D124 PolarHBondContact NE2-OD1 3.18Å; Q120-D124 VanDerWaalsContact O-CG 3.23Å; Q120-D124 PolarHBondContact O-N 2.92Å
121E96.3Very high95.6Very high65 Ų6548.8 Ų48.830%0.30424%0.244SC..Hα-helixtrans-58.4-43.3175-169.8-171.9155.400111R85 L89 S117 M123 D124 I125R85-E121 IonicContact CZ-OE1 3.82Å; R85-E121 IonicContact NE-OE1 3.09Å; R85-E121 IonicContact NH2-OE1 3.92Å; R85-E121 PolarHBondContact NH2-OE1 3.2Å; L89-E121 HydrophobicContact CD1-CB 4.14Å; L89-E121 HydrophobicContact CD1-CG 3.7Å; L89-E121 HydrophobicContact CD2-CB 4.47Å; L89-E121 HydrophobicContact CD2-CG 4.31Å; L89-E121 WeakPolarHBondContact CD2-OE2 3.24Å; S117-E121 WeakPolarHBondContact O-CB 3.43Å; S117-E121 PolarHBondContact O-N 2.93Å; E121-M123 PolarHBondContact O-N 2.76Å; E121-D124 PolarHBondContact O-N 3.23Å; E121-I125 HydrophobicContact CG-CD1 4.36Å; E121-I125 WeakPolarHBondContact O-CG1 3.15Å; E121-I125 PolarHBondContact O-N 3.45Å
122A97.1Very high95.6Very high0 Ų048.4 Ų48.40%024%0.244CC..Hα-helixtrans-62.8-41.9175.600000112V86 L89 A118 Y119 Q120 I125 S126 L140V86-A122 HydrophobicContact CG1-CB 4.37Å; L89-A122 HydrophobicContact CB-CB 3.64Å; L89-A122 HydrophobicContact CD1-CB 4.41Å; A118-A122 WeakPolarHBondContact O-CB 3.45Å; A118-A122 PolarHBondContact O-N 3.09Å; A118-A122 VanDerWaalsContact O-N 3.09Å; Y119-A122 WeakPolarHBondContact O-CB 3.42Å; Y119-A122 PolarHBondContact O-N 3.43Å; Q120-A122 VanDerWaalsContact C-N 3.29Å; Q120-A122 PolarHBondContact O-N 3.42Å; A122-I125 PolarHBondContact O-N 2.89Å; A122-S126 VanDerWaalsContact O-CB 3.29Å; A122-S126 WeakPolarHBondContact O-CB 3.43Å; A122-S126 PolarHBondContact O-N 2.9Å; A122-S126 PolarHBondContact O-OG 3.09Å; A122-L140 VanDerWaalsContact C-CD2 3.46Å; A122-L140 HydrophobicContact CB-CD1 3.73Å; A122-L140 HydrophobicContact CB-CD2 3.5Å; A122-L140 VanDerWaalsContact CB-CD2 3.5Å; A122-L140 HydrophobicContact CB-CG 4.28Å
123M97.2Very high95.5Very high5 Ų547.4 Ų47.43%0.02524%0.239CC..Hα-helixtrans-64.5-45-179.5-77.8-60.9-59.700110.8Y119 Q120 E121 I125 S126 K127 L140 A141 F144 L161Y119-M123 WeakPolarHBondContact O-CG 3.37Å; Y119-M123 PolarHBondContact O-N 3.31Å; Q120-M123 PolarHBondContact O-N 2.71Å; Q120-M123 VanDerWaalsContact O-N 3.13Å; E121-M123 PolarHBondContact O-N 2.76Å; M123-I125 VanDerWaalsContact C-N 3.31Å; M123-I125 PolarHBondContact O-N 3.29Å; M123-S126 WeakPolarHBondContact CA-OG 3.19Å; M123-S126 PolarHBondContact O-N 3.37Å; M123-S126 PolarHBondContact O-OG 3.23Å; M123-K127 WeakPolarHBondContact O-CB 3.42Å; M123-K127 WeakPolarHBondContact O-CG 3.36Å; M123-K127 PolarHBondContact O-N 2.83Å; M123-L140 HydrophobicContact CG-CD2 3.98Å; M123-L140 HydrophobicContact CG-CG 4.21Å; M123-L140 HydrophobicContact SD-CD2 3.54Å; M123-L140 VanDerWaalsContact SD-CD2 3.54Å; M123-L140 HydrophobicContact SD-CG 3.6Å; M123-L140 VanDerWaalsContact SD-CG 3.6Å; M123-A141 HydrophobicContact SD-CB 4.34Å; M123-F144 HydrophobicContact CG-CD1 3.62Å; M123-F144 HydrophobicContact CG-CE1 3.96Å; M123-F144 HydrophobicContact SD-CD1 4.45Å; M123-L161 HydrophobicContact CE-CD1 3.93Å
124D96.1Very high95.4Very high76 Ų7644.9 Ų44.941%0.40623%0.225SC..Hα-helixtrans-63.1-37.4-178.9-67.5-14.9000112.2Q120 E121 K128Q120-D124 PolarHBondContact NE2-OD1 3.18Å; Q120-D124 VanDerWaalsContact O-CG 3.23Å; Q120-D124 PolarHBondContact O-N 2.92Å; E121-D124 PolarHBondContact O-N 3.23Å; D124-K128 WeakPolarHBondContact O-CD 3.4Å; D124-K128 WeakPolarHBondContact O-CG 3.35Å
125I93.6Very high95.3Very high34 Ų3444.6 Ų44.617%0.17422%0.223CC..Hα-helixtrans-72.6-49.2174.5-61.5167.4000109.9R82 R85 V86 L89 E121 A122 M123 K127 K128 E129R82-I125 HydrophobicContact CB-CG2 4.48Å; R85-I125 HydrophobicContact CG-CD1 3.92Å; V86-I125 HydrophobicContact CG2-CB 3.82Å; V86-I125 HydrophobicContact CG2-CG2 3.52Å; L89-I125 HydrophobicContact CD1-CD1 3.73Å; E121-I125 HydrophobicContact CG-CD1 4.36Å; E121-I125 WeakPolarHBondContact O-CG1 3.15Å; E121-I125 PolarHBondContact O-N 3.45Å; A122-I125 PolarHBondContact O-N 2.89Å; M123-I125 VanDerWaalsContact C-N 3.31Å; M123-I125 PolarHBondContact O-N 3.29Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 3.2Å; I125-K128 PolarHBondContact O-N 3.41Å; I125-K128 VanDerWaalsContact O-N 3.08Å; I125-E129 HydrophobicContact CG2-CG 4.09Å; I125-E129 WeakPolarHBondContact O-CB 3.5Å; I125-E129 WeakPolarHBondContact O-CG 3.5Å; I125-E129 PolarHBondContact O-N 3.11Å
126S95.5Very high95.1Very high0 Ų046.5 Ų46.50%023%0.232CC..Hα-helixtrans-60.5-37.2-17772.20000113.1A122 M123 K128 E129 M130A122-S126 VanDerWaalsContact O-CB 3.29Å; A122-S126 WeakPolarHBondContact O-CB 3.43Å; A122-S126 PolarHBondContact O-N 2.9Å; A122-S126 PolarHBondContact O-OG 3.09Å; M123-S126 WeakPolarHBondContact CA-OG 3.19Å; M123-S126 PolarHBondContact O-N 3.37Å; M123-S126 PolarHBondContact O-OG 3.23Å; S126-K128 VanDerWaalsContact C-N 3.26Å; S126-K128 PolarHBondContact O-N 2.9Å; S126-E129 PolarHBondContact O-N 3.44Å; S126-M130 WeakPolarHBondContact O-CB 3.39Å; S126-M130 PolarHBondContact O-N 2.96Å
127K94.5Very high95Very high106 Ų10643.1 Ų43.146%0.46122%0.22SC..Hα-helixtrans-64.6-30178-77.8-175.6176.1-173.20113.2M123 I125M123-K127 WeakPolarHBondContact O-CB 3.42Å; M123-K127 WeakPolarHBondContact O-CG 3.36Å; M123-K127 PolarHBondContact O-N 2.83Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 3.2Å
128K91.9Very high95Very high168 Ų16839.8 Ų39.873%0.7320%0.196SC*.Hα-helixtrans-86.8-35.2-179.5-67.3174-174.81740112.5D124 I125 S126D124-K128 WeakPolarHBondContact O-CD 3.4Å; D124-K128 WeakPolarHBondContact O-CG 3.35Å; I125-K128 PolarHBondContact O-N 3.41Å; I125-K128 VanDerWaalsContact O-N 3.08Å; S126-K128 VanDerWaalsContact C-N 3.26Å; S126-K128 PolarHBondContact O-N 2.9Å
129E89.8Confident95Very high85 Ų8540.2 Ų40.240%0.39720%0.201SC..Hα-helixtrans-109.7-13-164.3-58.2-63.4156.500114R82 I125 S126R82-E129 HydrophobicContact CB-CG 4.37Å; R82-E129 IonicContact CZ-OE2 3.7Å; R82-E129 IonicContact NE-OE1 2.71Å; R82-E129 IonicContact NE-OE2 3.16Å; R82-E129 PolarHBondContact NE-OE2 2.95Å; R82-E129 IonicContact NH2-OE2 3.46Å; R82-E129 PolarHBondContact NH2-OE2 3.42Å; I125-E129 HydrophobicContact CG2-CG 4.09Å; I125-E129 WeakPolarHBondContact O-CB 3.5Å; I125-E129 WeakPolarHBondContact O-CG 3.5Å; I125-E129 PolarHBondContact O-N 3.11Å; S126-E129 PolarHBondContact O-N 3.44Å
130M91.5Very high95Very high12 Ų1240.2 Ų40.26%0.05920%0.201CC..SBendtrans-128.4141.7-173.7-56.7174.1172.300111.8E83 V86 S126 N134 I136 R137E83-M130 HydrophobicContact CB-CE 3.81Å; E83-M130 HydrophobicContact CG-CE 3.73Å; V86-M130 HydrophobicContact CB-CE 3.63Å; V86-M130 HydrophobicContact CB-SD 4.47Å; V86-M130 HydrophobicContact CG1-CE 3.98Å; V86-M130 HydrophobicContact CG1-SD 4.23Å; V86-M130 HydrophobicContact CG2-CE 3.69Å; V86-M130 HydrophobicContact CG2-SD 4.41Å; S126-M130 WeakPolarHBondContact O-CB 3.39Å; S126-M130 PolarHBondContact O-N 2.96Å; M130-N134 HydrophobicContact CB-CB 4.02Å; M130-I136 HydrophobicContact CE-CG2 4.35Å; M130-R137 HydrophobicContact CB-CB 4.28Å; M130-R137 PolarHBondContact O-NH1 3.16Å; M130-R137 HydrophobicContact SD-CB 4Å
131P92.9Very high95Very high68 Ų6836.3 Ų36.344%0.44218%0.183SC..  trans-63.4152.617128.4-34.1000110.5T133 N134P131-T133 PolarHBondContact O-N 3.25Å; P131-N134 HydrophobicContact CG-CB 4.07Å; P131-N134 WeakPolarHBondContact O-CB 3.43Å; P131-N134 PolarHBondContact O-N 3.43Å
132P95.3Very high95.1Very high18 Ų1834 Ų3412%0.11717%0.172CC..THydrogen-bonded Turntrans-56.2-24.7178.3-26.235.8000114.3L138 E168 D172P132-L138 WeakPolarHBondContact O-CD2 2.98Å; P132-L138 WeakPolarHBondContact O-CG 3.34Å; P132-E168 HydrophobicContact CB-CB 3.88Å; P132-E168 HydrophobicContact CG-CB 4.27Å; P132-D172 WeakPolarHBondContact CD-OD2 3.35Å; P132-D172 WeakPolarHBondContact CG-OD2 3.48Å
133T94.9Very high95.2Very high4 Ų435.5 Ų35.53%0.02518%0.18CC..THydrogen-bonded Turntrans-85.3-4.8179.551.40000114.3P131 A169 D172 T175 S184P131-T133 PolarHBondContact O-N 3.25Å; T133-A169 WeakPolarHBondContact CG2-O 3.45Å; T133-D172 HydrophobicContact CG2-CB 3.97Å; T133-D172 WeakPolarHBondContact CG2-O 3.48Å; T133-T175 PolarHBondContact OG1-OG1 3.38Å; T133-S184 WeakPolarHBondContact O-CB 3.33Å; T133-S184 PolarHBondContact O-OG 3.08Å
134N93Very high95.2Very high24 Ų2435.5 Ų35.513%0.12818%0.18CC..  trans-64.9129.6179.8175.1-76.1000111E83 M130 P131 I136 R137 L138E83-N134 PolarHBondContact OE1-ND2 3.46Å; M130-N134 HydrophobicContact CB-CB 4.02Å; P131-N134 HydrophobicContact CG-CB 4.07Å; P131-N134 WeakPolarHBondContact O-CB 3.43Å; P131-N134 PolarHBondContact O-N 3.43Å; N134-I136 VanDerWaalsContact C-N 3.29Å; N134-I136 PolarHBondContact O-N 3.42Å; N134-I136 WeakPolarHBondContact OD1-CA 3.49Å; N134-I136 VanDerWaalsContact OD1-CB 3.27Å; N134-I136 WeakPolarHBondContact OD1-CB 3.43Å; N134-I136 PolarHBondContact OD1-N 2.84Å; N134-R137 HydrophobicContact CB-CB 4.23Å; N134-R137 PolarHBondContact O-N 2.94Å; N134-R137 PolarHBondContact OD1-N 2.83Å; N134-R137 VanDerWaalsContact OD1-N 3.13Å; N134-L138 WeakPolarHBondContact O-CG 3.21Å; N134-L138 PolarHBondContact O-N 3.18Å
135P94.8Very high95.3Very high30 Ų3031.9 Ų31.920%0.19516%0.161CC..Hα-helixtrans-56.4-35.3-178.9-24.428.3000115G139 D183 S184 I187P135-G139 PolarHBondContact O-N 3.16Å; P135-D183 HydrophobicContact CB-CB 4.29Å; P135-D183 HydrophobicContact CG-CB 4.23Å; P135-S184 WeakPolarHBondContact CD-OG 3.49Å; P135-S184 WeakPolarHBondContact CG-OG 3.37Å; P135-I187 HydrophobicContact CB-CD1 4.18Å; P135-I187 WeakPolarHBondContact O-CD1 3.41Å
136I94.3Very high95.5Very high39 Ų3931.3 Ų31.320%0.216%0.159CC..Hα-helixtrans-71.1-43.5179.7-64.1173.5000110.2E83 V86 F87 M130 N134 G139 L140E83-I136 HydrophobicContact CG-CD1 3.49Å; E83-I136 VanDerWaalsContact CG-CD1 3.49Å; E83-I136 WeakPolarHBondContact OE1-CD1 3.2Å; V86-I136 HydrophobicContact CB-CG2 4.43Å; V86-I136 HydrophobicContact CG1-CG2 3.85Å; F87-I136 HydrophobicContact CB-CD1 4.5Å; F87-I136 HydrophobicContact CB-CG2 4.31Å; M130-I136 HydrophobicContact CE-CG2 4.35Å; N134-I136 VanDerWaalsContact C-N 3.29Å; N134-I136 PolarHBondContact O-N 3.42Å; N134-I136 WeakPolarHBondContact OD1-CA 3.49Å; N134-I136 VanDerWaalsContact OD1-CB 3.27Å; N134-I136 WeakPolarHBondContact OD1-CB 3.43Å; N134-I136 PolarHBondContact OD1-N 2.84Å; I136-G139 PolarHBondContact O-N 3Å; I136-L140 VanDerWaalsContact O-CB 3.27Å; I136-L140 WeakPolarHBondContact O-CB 3.08Å; I136-L140 PolarHBondContact O-N 3.46Å
137R95.9Very high95.7Very high19 Ų1931.3 Ų31.37%0.07216%0.159CC..Hα-helixtrans-62.1-46.8174.3179.9173.9168.6173.2-4.7111.4M130 N134 L140 A141 E168M130-R137 HydrophobicContact CB-CB 4.28Å; M130-R137 PolarHBondContact O-NH1 3.16Å; M130-R137 HydrophobicContact SD-CB 4Å; N134-R137 HydrophobicContact CB-CB 4.23Å; N134-R137 PolarHBondContact O-N 2.94Å; N134-R137 PolarHBondContact OD1-N 2.83Å; N134-R137 VanDerWaalsContact OD1-N 3.13Å; R137-L140 WeakPolarHBondContact O-CB 3.4Å; R137-L140 PolarHBondContact O-N 3.23Å; R137-A141 PolarHBondContact O-N 2.84Å; R137-E168 IonicContact CZ-OE2 3.99Å; R137-E168 IonicContact NH2-OE2 3.81Å; R137-E168 PolarHBondContact NH2-OE2 2.8Å
138L97.4Very high95.8Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-60.4-48.1176.3-73173.7000111.8P132 N134 L140 A141 L142 T165 A169 I187 M188 L191P132-L138 WeakPolarHBondContact O-CD2 2.98Å; P132-L138 WeakPolarHBondContact O-CG 3.34Å; N134-L138 WeakPolarHBondContact O-CG 3.21Å; N134-L138 PolarHBondContact O-N 3.18Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.99Å; L138-A141 PolarHBondContact O-N 3.31Å; L138-L142 PolarHBondContact O-N 3.02Å; L138-T165 HydrophobicContact CD2-CG2 3.77Å; L138-A169 HydrophobicContact CD2-CB 3.74Å; L138-I187 HydrophobicContact CB-CB 4.2Å; L138-I187 HydrophobicContact CB-CD1 4.36Å; L138-I187 HydrophobicContact CB-CG2 3.67Å; L138-M188 HydrophobicContact CD1-CG 4.03Å; L138-M188 HydrophobicContact CD2-CG 4.22Å; L138-L191 HydrophobicContact CD2-CD1 4.23Å
139G97.5Very high96.1Very high10 Ų1021.1 Ų21.110%0.10311%0.114CC..Hα-helixtrans-66.4-32.418000000113K90 P135 I136 N143K90-G139 VanDerWaalsContact CE-C 3.4Å; K90-G139 WeakPolarHBondContact CE-O 3.39Å; P135-G139 PolarHBondContact O-N 3.16Å; I136-G139 PolarHBondContact O-N 3Å; G139-N143 PolarHBondContact O-N 3.39Å; G139-N143 VanDerWaalsContact O-N 3.12Å; G139-N143 PolarHBondContact O-OD1 2.96Å
140L98.2Very high96.4Very high0 Ų022.2 Ų22.20%012%0.119CC..Hα-helixtrans-63.7-51.1170.8166.864.2000111V86 K90 Y119 A122 M123 I136 R137 L138 L142 N143 F144V86-L140 HydrophobicContact CG1-CD2 3.92Å; K90-L140 HydrophobicContact CB-CB 4.47Å; K90-L140 HydrophobicContact CB-CD1 3.86Å; K90-L140 HydrophobicContact CD-CB 4.04Å; K90-L140 HydrophobicContact CG-CB 4.19Å; K90-L140 HydrophobicContact CG-CD1 3.9Å; Y119-L140 HydrophobicContact CD1-CD1 3.65Å; Y119-L140 HydrophobicContact CE1-CD1 4.34Å; A122-L140 VanDerWaalsContact C-CD2 3.46Å; A122-L140 HydrophobicContact CB-CD1 3.73Å; A122-L140 HydrophobicContact CB-CD2 3.5Å; A122-L140 VanDerWaalsContact CB-CD2 3.5Å; A122-L140 HydrophobicContact CB-CG 4.28Å; M123-L140 HydrophobicContact CG-CD2 3.98Å; M123-L140 HydrophobicContact CG-CG 4.21Å; M123-L140 HydrophobicContact SD-CD2 3.54Å; M123-L140 VanDerWaalsContact SD-CD2 3.54Å; M123-L140 HydrophobicContact SD-CG 3.6Å; M123-L140 VanDerWaalsContact SD-CG 3.6Å; I136-L140 VanDerWaalsContact O-CB 3.27Å; I136-L140 WeakPolarHBondContact O-CB 3.08Å; I136-L140 PolarHBondContact O-N 3.46Å; R137-L140 WeakPolarHBondContact O-CB 3.4Å; R137-L140 PolarHBondContact O-N 3.23Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.99Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 PolarHBondContact O-N 2.95Å; L140-N143 PolarHBondContact O-N 3.4Å; L140-F144 WeakPolarHBondContact O-CB 3.25Å; L140-F144 PolarHBondContact O-N 3.35Å
141A98.2Very high96.7Very high0 Ų022.3 Ų22.30%012%0.119CC..Hα-helixtrans-62.5-39.8-179.800000112.2M123 R137 L138 F144 S145 T165M123-A141 HydrophobicContact SD-CB 4.34Å; R137-A141 PolarHBondContact O-N 2.84Å; L138-A141 PolarHBondContact O-N 3.31Å; A141-F144 PolarHBondContact O-N 3.28Å; A141-S145 VanDerWaalsContact O-CB 3.31Å; A141-S145 WeakPolarHBondContact O-CB 3.35Å; A141-S145 PolarHBondContact O-N 3.2Å; A141-S145 PolarHBondContact O-OG 3.08Å; A141-T165 HydrophobicContact CB-CG2 3.51Å; A141-T165 WeakPolarHBondContact CB-OG1 3.43Å
142L98.4Very high96.7Very high16 Ų1620 Ų208%0.08411%0.106CC..Hα-helixtrans-56-56.6171.8176.963.2000110.8L138 L140 F144 S145 V146 I187 L190 L191 N194L138-L142 PolarHBondContact O-N 3.02Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 PolarHBondContact O-N 2.95Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 3.21Å; L142-S145 PolarHBondContact O-N 2.89Å; L142-S145 PolarHBondContact O-OG 3.05Å; L142-V146 WeakPolarHBondContact O-CG2 3.37Å; L142-V146 PolarHBondContact O-N 3.1Å; L142-I187 HydrophobicContact CB-CG2 4.28Å; L142-I187 HydrophobicContact CD2-CG2 4.12Å; L142-L190 HydrophobicContact CD1-CB 4.27Å; L142-L190 HydrophobicContact CD2-CB 3.9Å; L142-L190 HydrophobicContact CD2-CD1 3.92Å; L142-L191 HydrophobicContact CB-CD2 3.94Å; L142-L191 HydrophobicContact CB-CG 4.25Å; L142-L191 HydrophobicContact CD1-CD2 3.86Å; L142-L191 HydrophobicContact CD1-CG 4.12Å; L142-N194 WeakPolarHBondContact CD1-ND2 3.47Å
143N97.9Very high96.7Very high32 Ų3225.2 Ų25.217%0.17113%0.133CC..Hα-helixtrans-63.9-35.5-177.8-75.817.2000112.9K90 D94 Y119 G139 L140 V146 F147K90-N143 PolarHBondContact NZ-ND2 3.42Å; D94-N143 VanDerWaalsContact CG-ND2 3.28Å; D94-N143 WeakPolarHBondContact OD1-CB 3.5Å; D94-N143 PolarHBondContact OD1-ND2 3.46Å; D94-N143 PolarHBondContact OD2-ND2 3.36Å; D94-N143 VanDerWaalsContact OD2-ND2 3.09Å; Y119-N143 HydrophobicContact CE1-CB 4.23Å; G139-N143 PolarHBondContact O-N 3.39Å; G139-N143 VanDerWaalsContact O-N 3.12Å; G139-N143 PolarHBondContact O-OD1 2.96Å; L140-N143 PolarHBondContact O-N 3.4Å; N143-V146 PolarHBondContact O-N 3.34Å; N143-F147 PolarHBondContact O-N 3.2Å
144F98.5Very high96.7Very high4 Ų426.3 Ų26.32%0.01814%0.141CC..Hα-helixtrans-73.1-36.1178.3-167.8-159.1000111.8Y119 M123 L140 A141 L142 V146 F147 H148 L161Y119-F144 VanDerWaalsContact CB-CE2 3.46Å; Y119-F144 HydrophobicContact CD1-CB 4.18Å; Y119-F144 HydrophobicContact CD1-CD2 4.47Å; Y119-F144 HydrophobicContact CD1-CG 4.44Å; Y119-F144 AromaticContact CD2-CD2 3.55Å; Y119-F144 HydrophobicContact CD2-CD2 3.55Å; Y119-F144 HydrophobicContact CD2-CE2 4.01Å; Y119-F144 HydrophobicContact CD2-CG 4.28Å; Y119-F144 HydrophobicContact CE2-CD2 4.41Å; Y119-F144 HydrophobicContact CG-CB 4.1Å; Y119-F144 AromaticContact CG-CD2 3.58Å; Y119-F144 HydrophobicContact CG-CD2 3.58Å; Y119-F144 HydrophobicContact CG-CE2 4.09Å; Y119-F144 AromaticContact CG-CG 3.89Å; Y119-F144 HydrophobicContact CG-CG 3.89Å; M123-F144 HydrophobicContact CG-CD1 3.62Å; M123-F144 HydrophobicContact CG-CE1 3.96Å; M123-F144 HydrophobicContact SD-CD1 4.45Å; L140-F144 WeakPolarHBondContact O-CB 3.25Å; L140-F144 PolarHBondContact O-N 3.35Å; A141-F144 PolarHBondContact O-N 3.28Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 3.21Å; F144-V146 VanDerWaalsContact C-N 3.35Å; F144-F147 HydrophobicContact CD2-CB 4.26Å; F144-F147 AromaticContact CD2-CD1 3.73Å; F144-F147 HydrophobicContact CD2-CD1 3.73Å; F144-F147 HydrophobicContact CD2-CG 4.33Å; F144-F147 AromaticContact CE2-CD1 3.69Å; F144-F147 HydrophobicContact CE2-CD1 3.69Å; F144-F147 HydrophobicContact CE2-CE1 4.07Å; F144-F147 WeakPolarHBondContact O-CB 3.43Å; F144-F147 PolarHBondContact O-N 2.94Å; F144-H148 AromaticContact CD2-CD2 3.74Å; F144-H148 AromaticContact CD2-NE2 3.65Å; F144-H148 AromaticContact CE1-NE2 3.76Å; F144-H148 AromaticContact CE2-CD2 3.78Å; F144-H148 AromaticContact CE2-CE1 3.94Å; F144-H148 AromaticContact CE2-NE2 3.21Å; F144-H148 WeakPolarHBondContact CE2-NE2 3.42Å; F144-H148 AromaticContact CZ-NE2 3.28Å; F144-H148 VanDerWaalsContact CZ-NE2 3.28Å; F144-H148 WeakPolarHBondContact CZ-NE2 3.4Å; F144-H148 PolarHBondContact O-CD2 3.45Å; F144-H148 PolarHBondContact O-N 3.26Å; F144-L161 HydrophobicContact CB-CD2 3.9Å; F144-L161 HydrophobicContact CD1-CD2 3.65Å; F144-L161 HydrophobicContact CE1-CD2 4.47Å; F144-L161 HydrophobicContact CG-CD2 3.89Å
145S98.2Very high96.9Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-62.7-41.9171.971.50000111.6A141 L142 F147 H148 Y149 A158A141-S145 VanDerWaalsContact O-CB 3.31Å; A141-S145 WeakPolarHBondContact O-CB 3.35Å; A141-S145 PolarHBondContact O-N 3.2Å; A141-S145 PolarHBondContact O-OG 3.08Å; L142-S145 PolarHBondContact O-N 2.89Å; L142-S145 PolarHBondContact O-OG 3.05Å; S145-F147 VanDerWaalsContact C-N 3.35Å; S145-F147 PolarHBondContact O-N 2.7Å; S145-H148 PolarHBondContact O-N 3.06Å; S145-Y149 PolarHBondContact O-N 3.19Å; S145-A158 VanDerWaalsContact O-CB 3.24Å; S145-A158 WeakPolarHBondContact O-CB 3.47Å
146V98Very high97Very high22 Ų2233.2 Ų33.213%0.13317%0.173CC..Hα-helixtrans-62.1-41.9173.4173.50000111.1L142 N143 F144 H148 Y149 E150 W198L142-V146 WeakPolarHBondContact O-CG2 3.37Å; L142-V146 PolarHBondContact O-N 3.1Å; N143-V146 PolarHBondContact O-N 3.34Å; F144-V146 VanDerWaalsContact C-N 3.35Å; V146-H148 PolarHBondContact O-N 2.86Å; V146-Y149 PolarHBondContact O-N 3.43Å; V146-E150 HydrophobicContact CG1-CG 4.09Å; V146-E150 WeakPolarHBondContact O-CB 3.01Å; V146-E150 PolarHBondContact O-N 3.33Å; V146-W198 HydrophobicContact CG2-CH2 3.96Å; V146-W198 HydrophobicContact CG2-CZ2 4.02Å
147F98.3Very high97.1Very high0 Ų035.6 Ų35.60%018%0.183CC..Iπ-helixtrans-57.3-46.3172.9168-95.9000112.3R97 I112 A115 R116 Y119 N143 F144 S145 Y149 I151 A152R97-F147 HydrophobicContact CB-CD2 4.4Å; R97-F147 HydrophobicContact CG-CD2 4.19Å; I112-F147 HydrophobicContact CG2-CE2 4.28Å; I112-F147 HydrophobicContact CG2-CZ 3.83Å; A115-F147 HydrophobicContact CB-CD2 4.05Å; A115-F147 HydrophobicContact CB-CE2 3.48Å; A115-F147 VanDerWaalsContact CB-CE2 3.48Å; A115-F147 HydrophobicContact CB-CZ 3.99Å; R116-F147 HydrophobicContact CB-CE1 3.94Å; R116-F147 HydrophobicContact CB-CZ 4Å; R116-F147 HydrophobicContact CG-CE1 4.43Å; Y119-F147 HydrophobicContact CD2-CB 4.29Å; Y119-F147 HydrophobicContact CD2-CD1 4.38Å; Y119-F147 HydrophobicContact CD2-CG 4.14Å; Y119-F147 HydrophobicContact CE2-CB 3.82Å; Y119-F147 HydrophobicContact CE2-CD2 4.14Å; Y119-F147 AromaticContact CE2-CG 3.94Å; Y119-F147 HydrophobicContact CE2-CG 3.94Å; N143-F147 PolarHBondContact O-N 3.2Å; F144-F147 HydrophobicContact CD2-CB 4.26Å; F144-F147 AromaticContact CD2-CD1 3.73Å; F144-F147 HydrophobicContact CD2-CD1 3.73Å; F144-F147 HydrophobicContact CD2-CG 4.33Å; F144-F147 AromaticContact CE2-CD1 3.69Å; F144-F147 HydrophobicContact CE2-CD1 3.69Å; F144-F147 HydrophobicContact CE2-CE1 4.07Å; F144-F147 WeakPolarHBondContact O-CB 3.43Å; F144-F147 PolarHBondContact O-N 2.94Å; S145-F147 VanDerWaalsContact C-N 3.35Å; S145-F147 PolarHBondContact O-N 2.7Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.46Å; F147-I151 HydrophobicContact CD2-CB 3.79Å; F147-I151 HydrophobicContact CD2-CG1 4.2Å; F147-I151 HydrophobicContact CD2-CG2 3.99Å; F147-I151 HydrophobicContact CE2-CB 3.97Å; F147-I151 HydrophobicContact CE2-CG2 3.68Å; F147-I151 WeakPolarHBondContact O-CA 3.34Å; F147-I151 WeakPolarHBondContact O-CB 3.47Å; F147-I151 PolarHBondContact O-N 3.45Å; F147-A152 HydrophobicContact CE1-CB 4.2Å; F147-A152 PolarHBondContact O-N 3.43Å
148H97.8Very high97.2Very high12 Ų1234.7 Ų34.76%0.05618%0.18CC..Iπ-helixtrans-60.7-42.2177.9-78.7-73.9000111.5F144 S145 V146 N153 S154 E157 A158F144-H148 AromaticContact CD2-CD2 3.74Å; F144-H148 AromaticContact CD2-NE2 3.65Å; F144-H148 AromaticContact CE1-NE2 3.76Å; F144-H148 AromaticContact CE2-CD2 3.78Å; F144-H148 AromaticContact CE2-CE1 3.94Å; F144-H148 AromaticContact CE2-NE2 3.21Å; F144-H148 WeakPolarHBondContact CE2-NE2 3.42Å; F144-H148 AromaticContact CZ-NE2 3.28Å; F144-H148 VanDerWaalsContact CZ-NE2 3.28Å; F144-H148 WeakPolarHBondContact CZ-NE2 3.4Å; F144-H148 PolarHBondContact O-CD2 3.45Å; F144-H148 PolarHBondContact O-N 3.26Å; S145-H148 PolarHBondContact O-N 3.06Å; V146-H148 PolarHBondContact O-N 2.86Å; H148-N153 PolarHBondContact O-N 2.91Å; H148-N153 VanDerWaalsContact O-N 3.15Å; H148-S154 PolarHBondContact O-N 3.45Å; H148-E157 HydrophobicContact CB-CB 4.26Å; H148-E157 IonicContact CE1-OE2 2.76Å; H148-E157 PolarHBondContact CE1-OE2 2.98Å; H148-E157 IonicContact ND1-OE2 3.29Å; H148-E157 PolarHBondContact ND1-OE2 3.44Å; H148-A158 HydrophobicContact CB-CB 3.8Å
149Y97.6Very high97.2Very high48 Ų4836.1 Ų36.119%0.18819%0.187CC..Iπ-helixtrans-69.7-59-179.8-164.2-96.7000112.2S145 V146 F147 P155 A158 W198 D201S145-Y149 PolarHBondContact O-N 3.19Å; V146-Y149 PolarHBondContact O-N 3.43Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.46Å; Y149-P155 HydrophobicContact CD2-CB 3.78Å; Y149-P155 HydrophobicContact CE2-CB 3.74Å; Y149-A158 HydrophobicContact CD2-CB 4.21Å; Y149-W198 AromaticContact CD1-CD1 3.78Å; Y149-W198 AromaticContact CD1-CE2 3.88Å; Y149-W198 HydrophobicContact CD1-CG 4.44Å; Y149-W198 HydrophobicContact CD1-CZ2 4.42Å; Y149-W198 AromaticContact CD1-NE1 3.37Å; Y149-W198 HydrophobicContact CD2-CB 4.04Å; Y149-W198 AromaticContact CD2-CD1 3.63Å; Y149-W198 AromaticContact CD2-CD2 3.67Å; Y149-W198 HydrophobicContact CD2-CD2 3.67Å; Y149-W198 AromaticContact CD2-CE2 3.85Å; Y149-W198 HydrophobicContact CD2-CE3 4.34Å; Y149-W198 AromaticContact CD2-CG 3.52Å; Y149-W198 HydrophobicContact CD2-CG 3.52Å; Y149-W198 AromaticContact CD2-NE1 3.8Å; Y149-W198 AromaticContact CE1-CD1 3.42Å; Y149-W198 VanDerWaalsContact CE1-CD1 3.42Å; Y149-W198 HydrophobicContact CE1-CG 4.28Å; Y149-W198 AromaticContact CE1-NE1 3.44Å; Y149-W198 HydrophobicContact CE2-CB 3.57Å; Y149-W198 AromaticContact CE2-CD1 3.28Å; Y149-W198 HydrophobicContact CE2-CD2 4.03Å; Y149-W198 AromaticContact CE2-CG 3.34Å; Y149-W198 HydrophobicContact CE2-CG 3.34Å; Y149-W198 AromaticContact CE2-NE1 3.89Å; Y149-W198 AromaticContact CG-CD1 3.86Å; Y149-W198 AromaticContact CG-CD2 3.95Å; Y149-W198 HydrophobicContact CG-CD2 3.95Å; Y149-W198 AromaticContact CG-CE2 3.61Å; Y149-W198 HydrophobicContact CG-CG 4.09Å; Y149-W198 HydrophobicContact CG-CZ2 4.07Å; Y149-W198 AromaticContact CG-NE1 3.55Å; Y149-W198 AromaticContact CZ-CD1 3.15Å; Y149-W198 AromaticContact CZ-CG 3.74Å; Y149-W198 AromaticContact CZ-NE1 3.69Å; Y149-D201 PolarHBondContact OH-OD2 2.87Å
150E96.6Very high97.2Very high108 Ų10839 Ų3951%0.50521%0.206SC..Iπ-helixtrans-84.3-30.8-167.2-63.6-177.2176.900113.9V146V146-E150 HydrophobicContact CG1-CG 4.09Å; V146-E150 WeakPolarHBondContact O-CB 3.01Å; V146-E150 PolarHBondContact O-N 3.33Å
151I96.2Very high97.2Very high14 Ų1440.2 Ų40.27%0.07221%0.212CC..Iπ-helixtrans-109.2-46.1-172-57.1-51.6000112.1R97 A100 E101 I112 F147 N153R97-I151 HydrophobicContact CG-CG1 3.76Å; A100-I151 HydrophobicContact CB-CG2 3.71Å; E101-I151 HydrophobicContact CG-CD1 3.67Å; I112-I151 HydrophobicContact CD1-CG2 3.91Å; I112-I151 HydrophobicContact CG1-CG2 3.65Å; F147-I151 HydrophobicContact CD2-CB 3.79Å; F147-I151 HydrophobicContact CD2-CG1 4.2Å; F147-I151 HydrophobicContact CD2-CG2 3.99Å; F147-I151 HydrophobicContact CE2-CB 3.97Å; F147-I151 HydrophobicContact CE2-CG2 3.68Å; F147-I151 WeakPolarHBondContact O-CA 3.34Å; F147-I151 WeakPolarHBondContact O-CB 3.47Å; F147-I151 PolarHBondContact O-N 3.45Å; I151-N153 VanDerWaalsContact C-N 3.33Å
152A94.8Very high97.2Very high20 Ų2040.2 Ų40.217%0.16521%0.212CC..SBendtrans-80.8-15179.200000113F147 S154F147-A152 HydrophobicContact CE1-CB 4.2Å; F147-A152 PolarHBondContact O-N 3.43Å; A152-S154 PolarHBondContact O-N 3.3Å
153N94.4Very high97.2Very high128 Ų12845 Ų4568%0.68423%0.233SC*.  trans5340.2-172.9-56.8-68.8000112.4H148 I151 P155H148-N153 PolarHBondContact O-N 2.91Å; H148-N153 VanDerWaalsContact O-N 3.15Å; I151-N153 VanDerWaalsContact C-N 3.33Å; N153-P155 VanDerWaalsContact C-CD 3.48Å; N153-P155 WeakPolarHBondContact O-CD 3.42Å
154S95.9Very high97.2Very high27 Ų2746.3 Ų46.319%0.18924%0.242CC..  trans-115.274.9176.8-67.10000109.5H148 A152 E156 E157 A158H148-S154 PolarHBondContact O-N 3.45Å; A152-S154 PolarHBondContact O-N 3.3Å; S154-E156 VanDerWaalsContact C-N 3.27Å; S154-E156 PolarHBondContact O-N 3.13Å; S154-E157 VanDerWaalsContact CB-OE1 3.3Å; S154-E157 WeakPolarHBondContact CB-OE1 3.31Å; S154-E157 PolarHBondContact O-N 3.11Å; S154-E157 PolarHBondContact OG-OE1 3.29Å; S154-A158 PolarHBondContact O-N 2.84Å
155P96.8Very high97.1Very high39 Ų3946.5 Ų46.525%0.25324%0.243SC..Hα-helixtrans-65.3-30.8-175.328.7-36.8000112.5Y149 N153 A158 I159Y149-P155 HydrophobicContact CD2-CB 3.78Å; Y149-P155 HydrophobicContact CE2-CB 3.74Å; N153-P155 VanDerWaalsContact C-CD 3.48Å; N153-P155 WeakPolarHBondContact O-CD 3.42Å; P155-A158 WeakPolarHBondContact O-CB 3.45Å; P155-A158 PolarHBondContact O-N 3.28Å; P155-I159 WeakPolarHBondContact O-CB 3.34Å; P155-I159 VanDerWaalsContact O-CG1 3.25Å; P155-I159 WeakPolarHBondContact O-CG1 3.33Å; P155-I159 PolarHBondContact O-N 3.24Å
156E96.2Very high97.1Very high159 Ų15948.4 Ų48.474%0.74325%0.251SS*.Hα-helixtrans-60.3-46.2173.4-64.5-178.4-174.800112.4S154 S160S154-E156 VanDerWaalsContact C-N 3.27Å; S154-E156 PolarHBondContact O-N 3.13Å; E156-S160 WeakPolarHBondContact O-CB 3.37Å; E156-S160 PolarHBondContact O-N 2.96Å
157E96.8Very high97Very high89 Ų8951.4 Ų51.442%0.41627%0.267SS..Hα-helixtrans-64.9-41.1176.7-68.5176.9-122.300111H148 S154 S160 L161H148-E157 HydrophobicContact CB-CB 4.26Å; H148-E157 IonicContact CE1-OE2 2.76Å; H148-E157 PolarHBondContact CE1-OE2 2.98Å; H148-E157 IonicContact ND1-OE2 3.29Å; H148-E157 PolarHBondContact ND1-OE2 3.44Å; S154-E157 VanDerWaalsContact CB-OE1 3.3Å; S154-E157 WeakPolarHBondContact CB-OE1 3.31Å; S154-E157 PolarHBondContact O-N 3.11Å; S154-E157 PolarHBondContact OG-OE1 3.29Å; E157-S160 PolarHBondContact O-N 3.4Å; E157-L161 WeakPolarHBondContact O-CB 3.4Å; E157-L161 PolarHBondContact O-N 3.26Å
158A97.7Very high96.9Very high0 Ų054.4 Ų54.40%028%0.281CS..Hα-helixtrans-60.4-50.9177.400000111.9S145 H148 Y149 S154 P155 L161 A162 W198S145-A158 VanDerWaalsContact O-CB 3.24Å; S145-A158 WeakPolarHBondContact O-CB 3.47Å; H148-A158 HydrophobicContact CB-CB 3.8Å; Y149-A158 HydrophobicContact CD2-CB 4.21Å; S154-A158 PolarHBondContact O-N 2.84Å; P155-A158 WeakPolarHBondContact O-CB 3.45Å; P155-A158 PolarHBondContact O-N 3.28Å; A158-L161 PolarHBondContact O-N 3.48Å; A158-A162 WeakPolarHBondContact O-CB 3.42Å; A158-A162 PolarHBondContact O-N 2.93Å; A158-W198 HydrophobicContact CB-CE3 4.13Å; A158-W198 HydrophobicContact CB-CZ3 3.99Å
159I97.8Very high96.8Very high30 Ų3053.9 Ų53.915%0.15428%0.278CS..Hα-helixtrans-63.6-45179.1-68.4165.9000110.3P155 L161 A162 K163 L195 W198 T199P155-I159 WeakPolarHBondContact O-CB 3.34Å; P155-I159 VanDerWaalsContact O-CG1 3.25Å; P155-I159 WeakPolarHBondContact O-CG1 3.33Å; P155-I159 PolarHBondContact O-N 3.24Å; I159-L161 PolarHBondContact O-N 3.21Å; I159-A162 PolarHBondContact O-N 2.86Å; I159-K163 WeakPolarHBondContact O-CB 3.48Å; I159-K163 PolarHBondContact O-N 3.13Å; I159-L195 HydrophobicContact CB-CD2 4.44Å; I159-L195 HydrophobicContact CG2-CD2 3.99Å; I159-L195 WeakPolarHBondContact O-CD2 3.16Å; I159-W198 HydrophobicContact CD1-CB 4.12Å; I159-W198 HydrophobicContact CG1-CB 3.9Å; I159-W198 HydrophobicContact CG1-CE3 4.45Å; I159-T199 HydrophobicContact CD1-CG2 4.08Å; I159-T199 HydrophobicContact CG1-CG2 4.39Å; I159-T199 HydrophobicContact CG2-CG2 4.06Å
160S97.7Very high96.7Very high71 Ų7155.7 Ų55.750%0.49729%0.289SS..Hα-helixtrans-59.1-47.3178.4-178.50000112E156 E157 T164E156-S160 WeakPolarHBondContact O-CB 3.37Å; E156-S160 PolarHBondContact O-N 2.96Å; E157-S160 PolarHBondContact O-N 3.4Å; S160-T164 VanDerWaalsContact O-CB 3.3Å; S160-T164 WeakPolarHBondContact O-CB 3.32Å; S160-T164 PolarHBondContact O-N 3.49Å; S160-T164 PolarHBondContact O-OG1 3.23Å
161L98Very high96.7Very high25 Ų2553.7 Ų53.713%0.13129%0.291CS..Hα-helixtrans-65.3-48.2179.217859.2000112M123 F144 E157 A158 I159 K163 T165M123-L161 HydrophobicContact CE-CD1 3.93Å; F144-L161 HydrophobicContact CB-CD2 3.9Å; F144-L161 HydrophobicContact CD1-CD2 3.65Å; F144-L161 HydrophobicContact CE1-CD2 4.47Å; F144-L161 HydrophobicContact CG-CD2 3.89Å; E157-L161 WeakPolarHBondContact O-CB 3.4Å; E157-L161 PolarHBondContact O-N 3.26Å; A158-L161 PolarHBondContact O-N 3.48Å; I159-L161 PolarHBondContact O-N 3.21Å; L161-K163 PolarHBondContact O-N 2.94Å; L161-T165 WeakPolarHBondContact O-CB 3.26Å; L161-T165 PolarHBondContact O-N 3.34Å; L161-T165 PolarHBondContact O-OG1 3.36Å
162A97.9Very high96.5Very high0 Ų055.7 Ų55.70%030%0.302CS..Hα-helixtrans-63.5-42-179.300000111.6A158 I159 F166 L191 L195 W198A158-A162 WeakPolarHBondContact O-CB 3.42Å; A158-A162 PolarHBondContact O-N 2.93Å; I159-A162 PolarHBondContact O-N 2.86Å; A162-F166 WeakPolarHBondContact O-CB 3.22Å; A162-F166 PolarHBondContact O-N 3.46Å; A162-L191 HydrophobicContact CB-CD2 3.95Å; A162-L195 HydrophobicContact CB-CD1 4.3Å; A162-L195 HydrophobicContact CB-CD2 3.72Å; A162-L195 HydrophobicContact CB-CG 3.82Å; A162-W198 HydrophobicContact CB-CZ3 4.25Å
163K97.8Very high96.3Very high118 Ų11857 Ų5751%0.51331%0.306SS..Hα-helixtrans-65.3-50.9178.1-177.4175.2-178.9176.40111.7I159 L161 T165 F166 D167 L195I159-K163 WeakPolarHBondContact O-CB 3.48Å; I159-K163 PolarHBondContact O-N 3.13Å; L161-K163 PolarHBondContact O-N 2.94Å; K163-T165 VanDerWaalsContact C-N 3.28Å; K163-T165 PolarHBondContact O-N 2.96Å; K163-F166 PolarHBondContact O-N 3.13Å; K163-D167 WeakPolarHBondContact O-CB 3.32Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.86Å; K163-L195 HydrophobicContact CB-CD1 4.28Å; K163-L195 HydrophobicContact CB-CD2 4Å
164T97.6Very high96Very high59 Ų5958.4 Ų58.436%0.36231%0.309SS..Hα-helixtrans-57.1-45.4178.8-57.80000110.8S160 D167 E168S160-T164 VanDerWaalsContact O-CB 3.3Å; S160-T164 WeakPolarHBondContact O-CB 3.32Å; S160-T164 PolarHBondContact O-N 3.49Å; S160-T164 PolarHBondContact O-OG1 3.23Å; T164-D167 PolarHBondContact O-N 3.31Å; T164-E168 HydrophobicContact CG2-CG 4.37Å; T164-E168 WeakPolarHBondContact CG2-OE1 3.35Å; T164-E168 WeakPolarHBondContact O-CB 3.46Å; T164-E168 VanDerWaalsContact O-CG 3.26Å; T164-E168 WeakPolarHBondContact O-CG 3.42Å; T164-E168 PolarHBondContact O-N 3.06Å
165T97.3Very high95.5Very high7 Ų760.7 Ų60.74%0.04332%0.321CS..Hα-helixtrans-63-45.6178.6-57.70000111.8L138 A141 L161 K163 A169 L191L138-T165 HydrophobicContact CD2-CG2 3.77Å; A141-T165 HydrophobicContact CB-CG2 3.51Å; A141-T165 WeakPolarHBondContact CB-OG1 3.43Å; L161-T165 WeakPolarHBondContact O-CB 3.26Å; L161-T165 PolarHBondContact O-N 3.34Å; L161-T165 PolarHBondContact O-OG1 3.36Å; K163-T165 VanDerWaalsContact C-N 3.28Å; K163-T165 PolarHBondContact O-N 2.96Å; T165-A169 WeakPolarHBondContact O-CB 3.48Å; T165-A169 PolarHBondContact O-N 2.98Å; T165-L191 HydrophobicContact CG2-CD1 3.84Å
166F97.2Very high95Very high40 Ų4059.9 Ų59.918%0.17532%0.315CS..Hα-helixtrans-62.4-46.1178.8-176.2-91.3000111.3A162 K163 A169 M170 M188 L191 R192 L195A162-F166 WeakPolarHBondContact O-CB 3.22Å; A162-F166 PolarHBondContact O-N 3.46Å; K163-F166 PolarHBondContact O-N 3.13Å; F166-A169 PolarHBondContact O-N 2.97Å; F166-M170 HydrophobicContact CD1-CG 3.84Å; F166-M170 HydrophobicContact CE1-CG 3.44Å; F166-M170 VanDerWaalsContact CE1-CG 3.44Å; F166-M170 HydrophobicContact CE1-SD 4.26Å; F166-M170 HydrophobicContact CE2-CG 4.31Å; F166-M170 HydrophobicContact CG-CG 4.42Å; F166-M170 HydrophobicContact CZ-CG 3.7Å; F166-M170 HydrophobicContact CZ-SD 3.96Å; F166-M170 VanDerWaalsContact O-CB 3.3Å; F166-M170 WeakPolarHBondContact O-CB 3.47Å; F166-M170 VanDerWaalsContact O-CG 3.26Å; F166-M170 WeakPolarHBondContact O-CG 3.3Å; F166-M170 PolarHBondContact O-N 2.97Å; F166-M188 HydrophobicContact CD2-CB 4.27Å; F166-M188 WeakPolarHBondContact CD2-O 3.07Å; F166-M188 HydrophobicContact CE2-CB 4.15Å; F166-M188 WeakPolarHBondContact CE2-O 3.48Å; F166-L191 HydrophobicContact CD2-CB 4.47Å; F166-R192 HydrophobicContact CD2-CB 4.35Å; F166-R192 HydrophobicContact CE2-CB 3.94Å; F166-R192 HydrophobicContact CZ-CB 4.45Å; F166-L195 HydrophobicContact CB-CD1 4.43Å
167D97.3Very high94.5Very high85 Ų8555.1 Ų55.146%0.45530%0.299SS..Hα-helixtrans-64.7-44-179.6-69-17.6000111.6K163 T164 M170 A171K163-D167 WeakPolarHBondContact O-CB 3.32Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.86Å; T164-D167 PolarHBondContact O-N 3.31Å; D167-M170 PolarHBondContact O-N 3.27Å; D167-A171 PolarHBondContact O-N 3.2Å
168E96.4Very high94Very high64 Ų6459.7 Ų59.730%0.29932%0.321SS..Hα-helixtrans-60-46.4174.5-73.9177.1-176.100111.6P132 R137 T164 A171 D172P132-E168 HydrophobicContact CB-CB 3.88Å; P132-E168 HydrophobicContact CG-CB 4.27Å; R137-E168 IonicContact CZ-OE2 3.99Å; R137-E168 IonicContact NH2-OE2 3.81Å; R137-E168 PolarHBondContact NH2-OE2 2.8Å; T164-E168 HydrophobicContact CG2-CG 4.37Å; T164-E168 WeakPolarHBondContact CG2-OE1 3.35Å; T164-E168 WeakPolarHBondContact O-CB 3.46Å; T164-E168 VanDerWaalsContact O-CG 3.26Å; T164-E168 WeakPolarHBondContact O-CG 3.42Å; T164-E168 PolarHBondContact O-N 3.06Å; E168-A171 PolarHBondContact O-N 3.04Å; E168-D172 PolarHBondContact O-N 3.32Å
169A95.9Very high93.5Very high0 Ų067.1 Ų67.10%036%0.36CS..Hα-helixtrans-69.7-35.5-179.700000112.9T133 L138 T165 F166 D172 L173 M188T133-A169 WeakPolarHBondContact CG2-O 3.45Å; L138-A169 HydrophobicContact CD2-CB 3.74Å; T165-A169 WeakPolarHBondContact O-CB 3.48Å; T165-A169 PolarHBondContact O-N 2.98Å; F166-A169 PolarHBondContact O-N 2.97Å; A169-D172 CarbonylContact O-C 3.54Å; A169-D172 PolarHBondContact O-N 3.25Å; A169-L173 PolarHBondContact O-N 2.89Å; A169-M188 HydrophobicContact CB-CE 3.89Å; A169-M188 HydrophobicContact CB-CG 4.34Å; A169-M188 HydrophobicContact CB-SD 4.07Å
170M94.8Very high93.1Very high86 Ų8666.7 Ų66.742%0.42436%0.36SS..Hα-helixtrans-64.7-39174.5-81.5-60.1-50.400112.1F166 D167 D172 L173 M188F166-M170 HydrophobicContact CD1-CG 3.84Å; F166-M170 HydrophobicContact CE1-CG 3.44Å; F166-M170 VanDerWaalsContact CE1-CG 3.44Å; F166-M170 HydrophobicContact CE1-SD 4.26Å; F166-M170 HydrophobicContact CE2-CG 4.31Å; F166-M170 HydrophobicContact CG-CG 4.42Å; F166-M170 HydrophobicContact CZ-CG 3.7Å; F166-M170 HydrophobicContact CZ-SD 3.96Å; F166-M170 VanDerWaalsContact O-CB 3.3Å; F166-M170 WeakPolarHBondContact O-CB 3.47Å; F166-M170 VanDerWaalsContact O-CG 3.26Å; F166-M170 WeakPolarHBondContact O-CG 3.3Å; F166-M170 PolarHBondContact O-N 2.97Å; D167-M170 PolarHBondContact O-N 3.27Å; M170-D172 VanDerWaalsContact C-N 3.29Å; M170-D172 PolarHBondContact O-N 2.98Å; M170-L173 HydrophobicContact CE-CD2 4.3Å; M170-L173 WeakPolarHBondContact O-CB 3.43Å; M170-L173 PolarHBondContact O-N 3.42Å; M170-L173 HydrophobicContact SD-CD2 4.42Å; M170-M188 HydrophobicContact CB-CE 4.43Å; M170-M188 HydrophobicContact CG-CE 3.66Å; M170-M188 HydrophobicContact SD-CE 3.37Å; M170-M188 WeakPolarHBondContact SD-CE 3.36Å
171A95.3Very high92.8Very high66 Ų6669.2 Ų69.255%0.54536%0.359SS..Hα-helixtrans-62.5-38.2176.600000111.9D167 E168 H174D167-A171 PolarHBondContact O-N 3.2Å; E168-A171 PolarHBondContact O-N 3.04Å; A171-H174 PolarHBondContact O-ND1 3.45Å
172D93.2Very high92.5Very high56 Ų5675.6 Ų75.630%0.29939%0.386SS..THydrogen-bonded Turntrans-98.212.1-176.9-73.5-2.7000113.6P132 T133 E168 A169 M170 H174 T175P132-D172 WeakPolarHBondContact CD-OD2 3.35Å; P132-D172 WeakPolarHBondContact CG-OD2 3.48Å; T133-D172 HydrophobicContact CG2-CB 3.97Å; T133-D172 WeakPolarHBondContact CG2-O 3.48Å; E168-D172 PolarHBondContact O-N 3.32Å; A169-D172 CarbonylContact O-C 3.54Å; A169-D172 PolarHBondContact O-N 3.25Å; M170-D172 VanDerWaalsContact C-N 3.29Å; M170-D172 PolarHBondContact O-N 2.98Å; D172-H174 PolarHBondContact O-N 2.95Å; D172-T175 HydrophobicContact CB-CG2 4.28Å; D172-T175 WeakPolarHBondContact O-CB 3.37Å; D172-T175 WeakPolarHBondContact O-CG2 3.38Å; D172-T175 PolarHBondContact O-N 3.45Å; D172-T175 PolarHBondContact O-OG1 2.96Å
173L90.3Very high92.3Very high48 Ų4879.9 Ų79.925%0.25141%0.409SS..G310 helixtrans-56.9-28.6-174.9-17265.4000113.4A169 M170 T175 L176 T185 M188A169-L173 PolarHBondContact O-N 2.89Å; M170-L173 HydrophobicContact CE-CD2 4.3Å; M170-L173 WeakPolarHBondContact O-CB 3.43Å; M170-L173 PolarHBondContact O-N 3.42Å; M170-L173 HydrophobicContact SD-CD2 4.42Å; L173-T175 PolarHBondContact O-N 3.18Å; L173-L176 HydrophobicContact CD1-CD2 3.96Å; L173-L176 VanDerWaalsContact O-CB 3.28Å; L173-L176 WeakPolarHBondContact O-CB 3.33Å; L173-L176 PolarHBondContact O-N 3.36Å; L173-T185 HydrophobicContact CD1-CG2 4.45Å; L173-M188 HydrophobicContact CD1-CE 4.27Å; L173-M188 HydrophobicContact CD1-SD 4.14Å
174H89.2Confident92.2Very high158 Ų15874.2 Ų74.273%0.73139%0.385SS*.G310 helixtrans-68.3-14.4176.767.3-81.1000114.2A171 D172A171-H174 PolarHBondContact O-ND1 3.45Å; D172-H174 PolarHBondContact O-N 2.95Å
175T85.4Confident92.1Very high74 Ų7473.6 Ų73.645%0.45438%0.38SS..G310 helixtrans-86.7-8.7178.668.20000113.5T133 D172 L173 S177T133-T175 PolarHBondContact OG1-OG1 3.38Å; D172-T175 HydrophobicContact CB-CG2 4.28Å; D172-T175 WeakPolarHBondContact O-CB 3.37Å; D172-T175 WeakPolarHBondContact O-CG2 3.38Å; D172-T175 PolarHBondContact O-N 3.45Å; D172-T175 PolarHBondContact O-OG1 2.96Å; L173-T175 PolarHBondContact O-N 3.18Å; T175-S177 PolarHBondContact O-N 2.86Å
176L86.2Confident92.1Very high22 Ų2278.2 Ų78.212%0.11540%0.404CS..  trans-72.6127.7-168.8-166.766000111L173 S180 Y181 S184 T185L173-L176 HydrophobicContact CD1-CD2 3.96Å; L173-L176 VanDerWaalsContact O-CB 3.28Å; L173-L176 WeakPolarHBondContact O-CB 3.33Å; L173-L176 PolarHBondContact O-N 3.36Å; L176-S180 WeakPolarHBondContact CD1-OG 3.48Å; L176-Y181 HydrophobicContact CB-CD2 4.41Å; L176-Y181 HydrophobicContact CD2-CD2 3.5Å; L176-Y181 VanDerWaalsContact CD2-CD2 3.5Å; L176-Y181 HydrophobicContact CD2-CE2 4.08Å; L176-Y181 HydrophobicContact CD2-CG 4.02Å; L176-Y181 HydrophobicContact CG-CD2 4.09Å; L176-S184 VanDerWaalsContact CD1-OG 3.3Å; L176-S184 WeakPolarHBondContact CD1-OG 3.39Å; L176-T185 HydrophobicContact CD2-CG2 4.35Å
177S84.1Confident92.1Very high60 Ų6077.6 Ų77.642%0.4240%0.403SS..  trans-72.1153.1176.8670000111.3T175 D179 S180 Y181T175-S177 PolarHBondContact O-N 2.86Å; S177-D179 PolarHBondContact O-N 3.01Å; S177-S180 PolarHBondContact O-N 3.3Å; S177-S180 VanDerWaalsContact O-N 3.14Å; S177-S180 PolarHBondContact O-OG 3.09Å; S177-S180 PolarHBondContact OG-N 2.95Å; S177-S180 PolarHBondContact OG-OG 3.26Å; S177-Y181 WeakPolarHBondContact O-CB 3.5Å; S177-Y181 PolarHBondContact O-N 3.43Å
178E86.5Confident92Very high185 Ų18574 Ų7486%0.86438%0.383SS*.Hα-helixtrans-55.6-38.6176.1-69.1-170.4165.600112S180 Y181E178-S180 VanDerWaalsContact C-N 3.33Å; E178-S180 PolarHBondContact O-N 3.04Å; E178-Y181 PolarHBondContact O-N 2.96Å
179D87.4Confident92.1Very high155 Ų15573.9 Ų73.983%0.82938%0.383SS*.Hα-helixtrans-65.4-32.9-179.2-64.9-28.2000113.2S177S177-D179 PolarHBondContact O-N 3.01Å
180S89.7Confident92.2Very high22 Ų2277.5 Ų77.515%0.15440%0.402CS..Hα-helixtrans-101.5-4.7-178.263.30000113.5L176 S177 E178 K182 D183 S184L176-S180 WeakPolarHBondContact CD1-OG 3.48Å; S177-S180 PolarHBondContact O-N 3.3Å; S177-S180 VanDerWaalsContact O-N 3.14Å; S177-S180 PolarHBondContact O-OG 3.09Å; S177-S180 PolarHBondContact OG-N 2.95Å; S177-S180 PolarHBondContact OG-OG 3.26Å; E178-S180 VanDerWaalsContact C-N 3.33Å; E178-S180 PolarHBondContact O-N 3.04Å; S180-K182 PolarHBondContact O-N 2.92Å; S180-D183 PolarHBondContact O-N 3.1Å; S180-S184 WeakPolarHBondContact O-CB 3.41Å; S180-S184 PolarHBondContact O-N 3.04Å; S180-S184 PolarHBondContact O-OG 3.02Å
181Y90.9Very high92.3Very high123 Ų12373.4 Ų73.448%0.48238%0.381SS..Hα-helixtrans-58.9-50.4-171.7-173.3-88.5000112.3L176 S177 E178 T185L176-Y181 HydrophobicContact CB-CD2 4.41Å; L176-Y181 HydrophobicContact CD2-CD2 3.5Å; L176-Y181 VanDerWaalsContact CD2-CD2 3.5Å; L176-Y181 HydrophobicContact CD2-CE2 4.08Å; L176-Y181 HydrophobicContact CD2-CG 4.02Å; L176-Y181 HydrophobicContact CG-CD2 4.09Å; S177-Y181 WeakPolarHBondContact O-CB 3.5Å; S177-Y181 PolarHBondContact O-N 3.43Å; E178-Y181 PolarHBondContact O-N 2.96Å; Y181-T185 HydrophobicContact CD1-CG2 4.2Å; Y181-T185 HydrophobicContact CE1-CG2 3.84Å; Y181-T185 HydrophobicContact CE2-CG2 4.25Å; Y181-T185 WeakPolarHBondContact O-CB 3.45Å; Y181-T185 VanDerWaalsContact O-CG2 3.28Å; Y181-T185 WeakPolarHBondContact O-CG2 3.49Å; Y181-T185 PolarHBondContact O-N 3.44Å; Y181-T185 PolarHBondContact O-OG1 3.48Å
182K93Very high92.4Very high160 Ų16076 Ų7670%0.69638%0.377SS*.Hα-helixtrans-65.1-43.6-176.3-173.7-178.9177-174.10112.1S180 T185 L186S180-K182 PolarHBondContact O-N 2.92Å; K182-T185 PolarHBondContact O-OG1 3.05Å; K182-L186 WeakPolarHBondContact O-CB 3.49Å; K182-L186 PolarHBondContact O-N 3.34Å; K182-L186 VanDerWaalsContact O-N 3.1Å
183D94Very high92.6Very high89 Ų8976.8 Ų76.848%0.47638%0.382SS..Hα-helixtrans-69.9-44.2-176.9-68.9-14000111P135 S180 L186 I187P135-D183 HydrophobicContact CB-CB 4.29Å; P135-D183 HydrophobicContact CG-CB 4.23Å; S180-D183 PolarHBondContact O-N 3.1Å; D183-L186 PolarHBondContact O-N 3.25Å; D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.44Å; D183-I187 PolarHBondContact O-N 3.45Å; D183-I187 VanDerWaalsContact O-N 3.07Å
184S95.1Very high93Very high0 Ų076.3 Ų76.30%038%0.379CS..Hα-helixtrans-66-45.5-179.6-50.50000111.7T133 P135 L176 S180 L186 I187 M188T133-S184 WeakPolarHBondContact O-CB 3.33Å; T133-S184 PolarHBondContact O-OG 3.08Å; P135-S184 WeakPolarHBondContact CD-OG 3.49Å; P135-S184 WeakPolarHBondContact CG-OG 3.37Å; L176-S184 VanDerWaalsContact CD1-OG 3.3Å; L176-S184 WeakPolarHBondContact CD1-OG 3.39Å; S180-S184 WeakPolarHBondContact O-CB 3.41Å; S180-S184 PolarHBondContact O-N 3.04Å; S180-S184 PolarHBondContact O-OG 3.02Å; S184-L186 VanDerWaalsContact C-N 3.33Å; S184-L186 PolarHBondContact O-N 2.87Å; S184-I187 PolarHBondContact O-N 3.21Å; S184-M188 VanDerWaalsContact O-CG 3.24Å; S184-M188 WeakPolarHBondContact O-CG 3.39Å; S184-M188 PolarHBondContact O-N 2.88Å
185T95.1Very high93.3Very high45 Ų4569.9 Ų69.928%0.27635%0.35SS..Hα-helixtrans-64.8-36.1178.452.10000112.6L173 L176 Y181 K182 M188 Q189L173-T185 HydrophobicContact CD1-CG2 4.45Å; L176-T185 HydrophobicContact CD2-CG2 4.35Å; Y181-T185 HydrophobicContact CD1-CG2 4.2Å; Y181-T185 HydrophobicContact CE1-CG2 3.84Å; Y181-T185 HydrophobicContact CE2-CG2 4.25Å; Y181-T185 WeakPolarHBondContact O-CB 3.45Å; Y181-T185 VanDerWaalsContact O-CG2 3.28Å; Y181-T185 WeakPolarHBondContact O-CG2 3.49Å; Y181-T185 PolarHBondContact O-N 3.44Å; Y181-T185 PolarHBondContact O-OG1 3.48Å; K182-T185 PolarHBondContact O-OG1 3.05Å; T185-M188 PolarHBondContact O-N 3.25Å; T185-Q189 WeakPolarHBondContact O-CB 3.18Å; T185-Q189 PolarHBondContact O-N 3.07Å
186L96.4Very high93.8Very high104 Ų10470.6 Ų70.655%0.54535%0.354SS..Hα-helixtrans-62.2-44.4172.7-179.863.3000111.5K182 D183 S184 Q189 L190K182-L186 WeakPolarHBondContact O-CB 3.49Å; K182-L186 PolarHBondContact O-N 3.34Å; K182-L186 VanDerWaalsContact O-N 3.1Å; D183-L186 PolarHBondContact O-N 3.25Å; S184-L186 VanDerWaalsContact C-N 3.33Å; S184-L186 PolarHBondContact O-N 2.87Å; L186-Q189 WeakPolarHBondContact O-CB 3.44Å; L186-Q189 PolarHBondContact O-N 3.35Å; L186-L190 WeakPolarHBondContact O-CG 3.4Å; L186-L190 PolarHBondContact O-N 3.02Å; L186-L190 VanDerWaalsContact O-N 3.16Å
187I97.2Very high94.3Very high28 Ų2874 Ų7414%0.14437%0.372CS..Hα-helixtrans-68.4-40.4179-61.6163000111.2P135 L138 L142 D183 S184 Q189 L190 L191P135-I187 HydrophobicContact CB-CD1 4.18Å; P135-I187 WeakPolarHBondContact O-CD1 3.41Å; L138-I187 HydrophobicContact CB-CB 4.2Å; L138-I187 HydrophobicContact CB-CD1 4.36Å; L138-I187 HydrophobicContact CB-CG2 3.67Å; L142-I187 HydrophobicContact CB-CG2 4.28Å; L142-I187 HydrophobicContact CD2-CG2 4.12Å; D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.44Å; D183-I187 PolarHBondContact O-N 3.45Å; D183-I187 VanDerWaalsContact O-N 3.07Å; S184-I187 PolarHBondContact O-N 3.21Å; I187-Q189 VanDerWaalsContact C-N 3.26Å; I187-Q189 PolarHBondContact O-N 3.18Å; I187-L190 WeakPolarHBondContact O-CB 3.09Å; I187-L190 PolarHBondContact O-N 3.01Å; I187-L190 VanDerWaalsContact O-N 3.14Å; I187-L191 PolarHBondContact O-N 3.09Å
188M96.8Very high94.9Very high8 Ų871.4 Ų71.44%0.03935%0.353CS..Hα-helixtrans-60.5-37.8174.6-69.5170.772.900111.8L138 F166 A169 M170 L173 S184 T185 L191 R192L138-M188 HydrophobicContact CD1-CG 4.03Å; L138-M188 HydrophobicContact CD2-CG 4.22Å; F166-M188 HydrophobicContact CD2-CB 4.27Å; F166-M188 WeakPolarHBondContact CD2-O 3.07Å; F166-M188 HydrophobicContact CE2-CB 4.15Å; F166-M188 WeakPolarHBondContact CE2-O 3.48Å; A169-M188 HydrophobicContact CB-CE 3.89Å; A169-M188 HydrophobicContact CB-CG 4.34Å; A169-M188 HydrophobicContact CB-SD 4.07Å; M170-M188 HydrophobicContact CB-CE 4.43Å; M170-M188 HydrophobicContact CG-CE 3.66Å; M170-M188 HydrophobicContact SD-CE 3.37Å; M170-M188 WeakPolarHBondContact SD-CE 3.36Å; L173-M188 HydrophobicContact CD1-CE 4.27Å; L173-M188 HydrophobicContact CD1-SD 4.14Å; S184-M188 VanDerWaalsContact O-CG 3.24Å; S184-M188 WeakPolarHBondContact O-CG 3.39Å; S184-M188 PolarHBondContact O-N 2.88Å; T185-M188 PolarHBondContact O-N 3.25Å; M188-L191 PolarHBondContact O-N 3.46Å; M188-R192 PolarHBondContact O-N 3.29Å
189Q97.3Very high95.3Very high62 Ų6265.8 Ų65.829%0.2933%0.331SS..Hα-helixtrans-60.9-45.1173.6-179.957.769.800111.5T185 L186 I187 R192 D193T185-Q189 WeakPolarHBondContact O-CB 3.18Å; T185-Q189 PolarHBondContact O-N 3.07Å; L186-Q189 WeakPolarHBondContact O-CB 3.44Å; L186-Q189 PolarHBondContact O-N 3.35Å; I187-Q189 VanDerWaalsContact C-N 3.26Å; I187-Q189 PolarHBondContact O-N 3.18Å; Q189-R192 VanDerWaalsContact NE2-NE 3.18Å; Q189-R192 WeakPolarHBondContact O-CB 3.44Å; Q189-R192 PolarHBondContact O-N 3.27Å; Q189-D193 VanDerWaalsContact NE2-CG 3.27Å; Q189-D193 PolarHBondContact NE2-OD1 3.37Å; Q189-D193 PolarHBondContact NE2-OD2 3.28Å; Q189-D193 PolarHBondContact O-N 3.12Å
190L97.8Very high95.6Very high76 Ų7661.2 Ų61.240%0.39832%0.316SS..Hα-helixtrans-63.9-41.2177.4-65.5173.3000112.2L142 L186 I187 R192 D193 N194L142-L190 HydrophobicContact CD1-CB 4.27Å; L142-L190 HydrophobicContact CD2-CB 3.9Å; L142-L190 HydrophobicContact CD2-CD1 3.92Å; L186-L190 WeakPolarHBondContact O-CG 3.4Å; L186-L190 PolarHBondContact O-N 3.02Å; L186-L190 VanDerWaalsContact O-N 3.16Å; I187-L190 WeakPolarHBondContact O-CB 3.09Å; I187-L190 PolarHBondContact O-N 3.01Å; I187-L190 VanDerWaalsContact O-N 3.14Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 3.42Å; L190-D193 PolarHBondContact O-N 3.4Å; L190-N194 PolarHBondContact O-N 3.4Å
191L97.6Very high95.6Very high0 Ų063.7 Ų63.70%033%0.327CS..Hα-helixtrans-57.9-44.8173.2-77.7167.7000111.3L138 L142 A162 T165 F166 I187 M188 N194 L195L138-L191 HydrophobicContact CD2-CD1 4.23Å; L142-L191 HydrophobicContact CB-CD2 3.94Å; L142-L191 HydrophobicContact CB-CG 4.25Å; L142-L191 HydrophobicContact CD1-CD2 3.86Å; L142-L191 HydrophobicContact CD1-CG 4.12Å; A162-L191 HydrophobicContact CB-CD2 3.95Å; T165-L191 HydrophobicContact CG2-CD1 3.84Å; F166-L191 HydrophobicContact CD2-CB 4.47Å; I187-L191 PolarHBondContact O-N 3.09Å; M188-L191 PolarHBondContact O-N 3.46Å; L191-N194 PolarHBondContact O-N 3.45Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 WeakPolarHBondContact O-CG 3.23Å; L191-L195 PolarHBondContact O-N 3.44Å
192R97.4Very high95.3Very high120 Ų12059.8 Ų59.845%0.45331%0.314SS..Hα-helixtrans-64.3-41177.6-170.6-174.873.7-171.34.6112.5F166 M188 Q189 L190 L195 T196F166-R192 HydrophobicContact CD2-CB 4.35Å; F166-R192 HydrophobicContact CE2-CB 3.94Å; F166-R192 HydrophobicContact CZ-CB 4.45Å; M188-R192 PolarHBondContact O-N 3.29Å; Q189-R192 VanDerWaalsContact NE2-NE 3.18Å; Q189-R192 WeakPolarHBondContact O-CB 3.44Å; Q189-R192 PolarHBondContact O-N 3.27Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 3.42Å; R192-L195 PolarHBondContact O-N 3.35Å; R192-T196 PolarHBondContact O-N 3.18Å; R192-T196 PolarHBondContact O-OG1 3.01Å
193D97.9Very high94.8Very high74 Ų7455.3 Ų55.340%0.39631%0.307SS..Hα-helixtrans-64.5-45.4179.1-66.1-21.3000110.4Q189 L190 L195 T196 L197Q189-D193 VanDerWaalsContact NE2-CG 3.27Å; Q189-D193 PolarHBondContact NE2-OD1 3.37Å; Q189-D193 PolarHBondContact NE2-OD2 3.28Å; Q189-D193 PolarHBondContact O-N 3.12Å; L190-D193 PolarHBondContact O-N 3.4Å; D193-L195 PolarHBondContact O-N 3.01Å; D193-T196 PolarHBondContact O-N 2.75Å; D193-L197 PolarHBondContact O-N 3.39Å
194N97.2Very high93.4Very high37 Ų3753.8 Ų53.820%0.19831%0.313CS..Hα-helixtrans-60.2-45.7174.1-781.7000112.3L142 L190 L191 T196 L197 W198L142-N194 WeakPolarHBondContact CD1-ND2 3.47Å; L190-N194 PolarHBondContact O-N 3.4Å; L191-N194 PolarHBondContact O-N 3.45Å; N194-T196 VanDerWaalsContact C-N 3.3Å; N194-T196 PolarHBondContact O-N 3.24Å; N194-L197 PolarHBondContact O-N 3.19Å; N194-W198 HydrophobicContact CB-CD2 4.1Å; N194-W198 HydrophobicContact CB-CE3 4.03Å; N194-W198 HydrophobicContact CB-CH2 3.72Å; N194-W198 HydrophobicContact CB-CZ2 3.77Å; N194-W198 HydrophobicContact CB-CZ3 3.84Å; N194-W198 WeakPolarHBondContact ND2-CH2 3.11Å; N194-W198 WeakPolarHBondContact O-CB 3.2Å; N194-W198 VanDerWaalsContact O-CD2 3.31Å; N194-W198 PolarHBondContact O-N 3.16Å
195L96.8Very high91.7Very high24 Ų2461.5 Ų61.513%0.12635%0.349CS..Hα-helixtrans-57.5-44.1176.2-78.4169.1000112I159 A162 K163 F166 L191 R192 D193 L197 T199I159-L195 HydrophobicContact CB-CD2 4.44Å; I159-L195 HydrophobicContact CG2-CD2 3.99Å; I159-L195 WeakPolarHBondContact O-CD2 3.16Å; A162-L195 HydrophobicContact CB-CD1 4.3Å; A162-L195 HydrophobicContact CB-CD2 3.72Å; A162-L195 HydrophobicContact CB-CG 3.82Å; K163-L195 HydrophobicContact CB-CD1 4.28Å; K163-L195 HydrophobicContact CB-CD2 4Å; F166-L195 HydrophobicContact CB-CD1 4.43Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 WeakPolarHBondContact O-CG 3.23Å; L191-L195 PolarHBondContact O-N 3.44Å; R192-L195 PolarHBondContact O-N 3.35Å; D193-L195 PolarHBondContact O-N 3.01Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-T199 VanDerWaalsContact O-CB 3.3Å; L195-T199 WeakPolarHBondContact O-CB 3.27Å; L195-T199 WeakPolarHBondContact O-CG2 3.39Å; L195-T199 PolarHBondContact O-N 3.46Å; L195-T199 PolarHBondContact O-OG1 3.48Å
196T96.4Very high89.8Confident88 Ų8867.9 Ų67.954%0.5438%0.376SS..Hα-helixtrans-63-43.6179.5-55.30000111R192 D193 N194 T199 A200R192-T196 PolarHBondContact O-N 3.18Å; R192-T196 PolarHBondContact O-OG1 3.01Å; D193-T196 PolarHBondContact O-N 2.75Å; N194-T196 VanDerWaalsContact C-N 3.3Å; N194-T196 PolarHBondContact O-N 3.24Å; T196-T199 PolarHBondContact O-OG1 2.96Å; T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 3.33Å
197L96.2Very high87.4Confident93 Ų9366.2 Ų66.249%0.48738%0.383SS..Hα-helixtrans-64.5-55.7178-178.665.3000111.6D193 N194 L195 T199 A200 D201D193-L197 PolarHBondContact O-N 3.39Å; N194-L197 PolarHBondContact O-N 3.19Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-T199 PolarHBondContact O-N 2.86Å; L197-A200 WeakPolarHBondContact O-CB 3.39Å; L197-A200 PolarHBondContact O-N 3.44Å; L197-A200 VanDerWaalsContact O-N 3.14Å; L197-D201 PolarHBondContact O-N 2.94Å
198W96.7Very high84.8Confident6 Ų667.9 Ų67.92%0.02341%0.408CS..Hα-helixtrans-67.2-32.2-173.6-59.1-22.9000113.2V146 Y149 A158 I159 A162 N194 N202V146-W198 HydrophobicContact CG2-CH2 3.96Å; V146-W198 HydrophobicContact CG2-CZ2 4.02Å; Y149-W198 AromaticContact CD1-CD1 3.78Å; Y149-W198 AromaticContact CD1-CE2 3.88Å; Y149-W198 HydrophobicContact CD1-CG 4.44Å; Y149-W198 HydrophobicContact CD1-CZ2 4.42Å; Y149-W198 AromaticContact CD1-NE1 3.37Å; Y149-W198 HydrophobicContact CD2-CB 4.04Å; Y149-W198 AromaticContact CD2-CD1 3.63Å; Y149-W198 AromaticContact CD2-CD2 3.67Å; Y149-W198 HydrophobicContact CD2-CD2 3.67Å; Y149-W198 AromaticContact CD2-CE2 3.85Å; Y149-W198 HydrophobicContact CD2-CE3 4.34Å; Y149-W198 AromaticContact CD2-CG 3.52Å; Y149-W198 HydrophobicContact CD2-CG 3.52Å; Y149-W198 AromaticContact CD2-NE1 3.8Å; Y149-W198 AromaticContact CE1-CD1 3.42Å; Y149-W198 VanDerWaalsContact CE1-CD1 3.42Å; Y149-W198 HydrophobicContact CE1-CG 4.28Å; Y149-W198 AromaticContact CE1-NE1 3.44Å; Y149-W198 HydrophobicContact CE2-CB 3.57Å; Y149-W198 AromaticContact CE2-CD1 3.28Å; Y149-W198 HydrophobicContact CE2-CD2 4.03Å; Y149-W198 AromaticContact CE2-CG 3.34Å; Y149-W198 HydrophobicContact CE2-CG 3.34Å; Y149-W198 AromaticContact CE2-NE1 3.89Å; Y149-W198 AromaticContact CG-CD1 3.86Å; Y149-W198 AromaticContact CG-CD2 3.95Å; Y149-W198 HydrophobicContact CG-CD2 3.95Å; Y149-W198 AromaticContact CG-CE2 3.61Å; Y149-W198 HydrophobicContact CG-CG 4.09Å; Y149-W198 HydrophobicContact CG-CZ2 4.07Å; Y149-W198 AromaticContact CG-NE1 3.55Å; Y149-W198 AromaticContact CZ-CD1 3.15Å; Y149-W198 AromaticContact CZ-CG 3.74Å; Y149-W198 AromaticContact CZ-NE1 3.69Å; A158-W198 HydrophobicContact CB-CE3 4.13Å; A158-W198 HydrophobicContact CB-CZ3 3.99Å; I159-W198 HydrophobicContact CD1-CB 4.12Å; I159-W198 HydrophobicContact CG1-CB 3.9Å; I159-W198 HydrophobicContact CG1-CE3 4.45Å; A162-W198 HydrophobicContact CB-CZ3 4.25Å; N194-W198 HydrophobicContact CB-CD2 4.1Å; N194-W198 HydrophobicContact CB-CE3 4.03Å; N194-W198 HydrophobicContact CB-CH2 3.72Å; N194-W198 HydrophobicContact CB-CZ2 3.77Å; N194-W198 HydrophobicContact CB-CZ3 3.84Å; N194-W198 WeakPolarHBondContact ND2-CH2 3.11Å; N194-W198 WeakPolarHBondContact O-CB 3.2Å; N194-W198 VanDerWaalsContact O-CD2 3.31Å; N194-W198 PolarHBondContact O-N 3.16Å; W198-N202 WeakPolarHBondContact O-CB 3.33Å; W198-N202 PolarHBondContact O-N 2.87Å; W198-N202 VanDerWaalsContact O-N 3.14Å; W198-N202 PolarHBondContact O-OD1 3.44Å
199T94.1Very high82Confident67 Ų6776.7 Ų76.741%0.41145%0.449SS..Hα-helixtrans-71.9-33.6174.453.90000112.4I159 L195 T196 L197 A203I159-T199 HydrophobicContact CD1-CG2 4.08Å; I159-T199 HydrophobicContact CG1-CG2 4.39Å; I159-T199 HydrophobicContact CG2-CG2 4.06Å; L195-T199 VanDerWaalsContact O-CB 3.3Å; L195-T199 WeakPolarHBondContact O-CB 3.27Å; L195-T199 WeakPolarHBondContact O-CG2 3.39Å; L195-T199 PolarHBondContact O-N 3.46Å; L195-T199 PolarHBondContact O-OG1 3.48Å; T196-T199 PolarHBondContact O-OG1 2.96Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-T199 PolarHBondContact O-N 2.86Å; T199-A203 WeakPolarHBondContact O-CB 3.5Å; T199-A203 PolarHBondContact O-N 2.7Å; T199-A203 VanDerWaalsContact O-N 3.14Å
200A93.7Very high79.5Confident60 Ų6077.6 Ų77.650%0.49647%0.467SS..Hα-helixtrans-69.3-42.9174.400000111.8T196 L197 A203 G204T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 3.33Å; L197-A200 WeakPolarHBondContact O-CB 3.39Å; L197-A200 PolarHBondContact O-N 3.44Å; L197-A200 VanDerWaalsContact O-N 3.14Å; A200-A203 PolarHBondContact O-N 3.36Å; A200-G204 PolarHBondContact O-N 2.67Å
201D90.2Very high76.9Confident74 Ų7479.9 Ų79.940%0.39649%0.486SS..Hα-helixtrans-60.4-48.2177.6-71.2-11.5000110.9Y149 L197 A203 G204Y149-D201 PolarHBondContact OH-OD2 2.87Å; L197-D201 PolarHBondContact O-N 2.94Å; D201-A203 PolarHBondContact O-N 2.87Å; D201-G204 PolarHBondContact O-N 2.68Å
202N83.9Confident74.4Confident40 Ų4088.7 Ų88.721%0.21453%0.527CS..Hα-helixtrans-67-33.5179.2-75.614.4000113.6W198 G204 E205W198-N202 WeakPolarHBondContact O-CB 3.33Å; W198-N202 PolarHBondContact O-N 2.87Å; W198-N202 VanDerWaalsContact O-N 3.14Å; W198-N202 PolarHBondContact O-OD1 3.44Å; N202-G204 VanDerWaalsContact C-N 3.27Å; N202-G204 PolarHBondContact O-N 2.8Å; N202-E205 PolarHBondContact O-N 3.28Å
203A82.4Confident71.9Confident66 Ų6691.5 Ų91.555%0.54555%0.546SS..Hα-helixtrans-69.7-26.3176.800000112.6T199 A200 D201 E205T199-A203 WeakPolarHBondContact O-CB 3.5Å; T199-A203 PolarHBondContact O-N 2.7Å; T199-A203 VanDerWaalsContact O-N 3.14Å; A200-A203 PolarHBondContact O-N 3.36Å; D201-A203 PolarHBondContact O-N 2.87Å; A203-E205 VanDerWaalsContact C-N 3.34Å
204G66Low69.8Low58 Ų5893.7 Ų93.760%0.59856%0.564SS**Hα-helixtrans-70.7-27.9175.700000113.6A200 D201 N202A200-G204 PolarHBondContact O-N 2.67Å; D201-G204 PolarHBondContact O-N 2.68Å; N202-G204 VanDerWaalsContact C-N 3.27Å; N202-G204 PolarHBondContact O-N 2.8Å
205E58.5Low67.3Low162 Ų162101.5 Ų101.576%0.75760%0.599SS**Hα-helixtrans-78.7-28.4-179.2-64.9-170.9162.800112.9N202 A203 G207N202-E205 PolarHBondContact O-N 3.28Å; A203-E205 VanDerWaalsContact C-N 3.34Å; E205-G207 VanDerWaalsContact C-N 3.31Å; E205-G207 PolarHBondContact O-N 2.92Å
206E54.6Low65.7Low179 Ų179109.4 Ų109.484%0.83666%0.656SS**THydrogen-bonded Turntrans-78.4-11.2176.7-66.7-172.1164.600113.7
207G48Very low64.1Low68 Ų68110.5 Ų110.570%0.70166%0.662SS**THydrogen-bonded Turntrans-92.29.3-177.500000116.2E205E205-G207 VanDerWaalsContact C-N 3.31Å; E205-G207 PolarHBondContact O-N 2.92Å
208G41.6Very low62.4Low64 Ų64111.4 Ų111.466%0.6667%0.671SS**  trans-9714.7-169.100000117.3A210G208-A210 PolarHBondContact O-N 3.28Å
209E38.2Very low60.5Low192 Ų192117.2 Ų117.290%0.89771%0.707SS**  trans-68.8100.1169.3-80.1-170.4161.500109.5
210A43.6Very low58.6Low81 Ų81120.2 Ų120.267%0.66973%0.725SS**  trans-47.4132.1172.800000109.9G208 Q212G208-A210 PolarHBondContact O-N 3.28Å; A210-Q212 PolarHBondContact O-N 3.17Å
211P44Very low56.4Low124 Ų124123.9 Ų123.981%0.80574%0.739SS**  trans-57.8112.8169.7-1627.6000107.6E213P211-E213 PolarHBondContact O-N 3.33Å
212Q44.6Very low54.1Low185 Ų185127.3 Ų127.386%0.86476%0.762SS**  trans-58.1109.6165.2-70.7179.61.100106.4A210 P214A210-Q212 PolarHBondContact O-N 3.17Å; Q212-P214 VanDerWaalsContact O-CD 3.28Å; Q212-P214 WeakPolarHBondContact O-CD 3.44Å
213E45.1Very low52Low179 Ų179133.5 Ų133.584%0.83680%0.801SS**PPolyproline II helixtrans-59.3120.2168.3-76.4-171.7160.400107.6P211 Q215P211-E213 PolarHBondContact O-N 3.33Å; E213-Q215 PolarHBondContact O-N 3.11Å
214P53.9Low49.6Very low120 Ų120138.7 Ų138.778%0.77982%0.821SS**PPolyproline II helixtrans-67120.7172.825.3-28.1000108Q212 S216Q212-P214 VanDerWaalsContact O-CD 3.28Å; Q212-P214 WeakPolarHBondContact O-CD 3.44Å; P214-S216 PolarHBondContact O-N 3.21Å
215Q45.4Very low48.3Very low201 Ų201145.4 Ų145.494%0.93984%0.84SS**PPolyproline II helixtrans-59.3127.6168.7-69.2-179.7-12.800109.8E213E213-Q215 PolarHBondContact O-N 3.11Å
216S61.9Low47.4Very low190 Ų190143.9 Ų143.9100%1.32985%0.847SS**  trans-140.10156.263.20000109.2P214P214-S216 PolarHBondContact O-N 3.21Å

Retrieved 216 of 216 residues in 368.5 ms (Link to these results)