A0A087XHB1_POEFO Loading...

Tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, theta polypeptide a

AlphaFold DB , UniProt , Accession A0A087XHB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1M76.1Confident94.8Very high136 Ų13667.5 Ų67.567%0.6733%0.334SS*.  0141.10-146.8-178.7-73.700106.1D5 L6 K9M1-D5 HydrophobicContact CG-CB 3.41Å; M1-D5 VanDerWaalsContact CG-CB 3.41Å; M1-D5 HydrophobicContact SD-CB 3.88Å; M1-L6 HydrophobicContact CB-CD2 4.09Å; M1-L6 HydrophobicContact CB-CG 4.07Å; M1-L6 HydrophobicContact CG-CD2 4.48Å; M1-L6 HydrophobicContact CG-CG 4.43Å; M1-L6 HydrophobicContact SD-CD2 3.9Å; M1-L6 HydrophobicContact SD-CG 4.27Å; M1-K9 HydrophobicContact CE-CD 4.14Å; M1-K9 HydrophobicContact SD-CD 4.19Å
2D92.4Very high95.1Very high85 Ų8569.8 Ų69.846%0.45535%0.348SS..  trans-80.8172.5177.473.927000111.4T4 D5 L6D2-T4 VanDerWaalsContact C-N 3.28Å; D2-T4 PolarHBondContact O-N 2.81Å; D2-T4 PolarHBondContact OD1-N 2.81Å; D2-D5 PolarHBondContact O-N 3.11Å; D2-D5 WeakPolarHBondContact OD1-CB 3.42Å; D2-D5 VanDerWaalsContact OD1-CG 3.3Å; D2-D5 PolarHBondContact OD1-N 2.92Å; D2-L6 WeakPolarHBondContact O-CG 3.41Å; D2-L6 PolarHBondContact O-N 3.22Å; D2-L6 VanDerWaalsContact O-N 3.09Å
3R95.1Very high95.4Very high62 Ų6265.1 Ų65.123%0.23433%0.326CS..Hα-helixtrans-59.8-40.2-176.8-177.4178.7-176.7141.1-8.5111.5L6 I7 V29 M32 G33 E35 E40R3-L6 PolarHBondContact O-N 3.33Å; R3-I7 HydrophobicContact CG-CD1 3.86Å; R3-I7 WeakPolarHBondContact O-CD1 3.18Å; R3-I7 VanDerWaalsContact O-CG1 3.24Å; R3-I7 WeakPolarHBondContact O-CG1 3.45Å; R3-I7 PolarHBondContact O-N 3.04Å; R3-I7 VanDerWaalsContact O-N 3.07Å; R3-V29 HydrophobicContact CG-CG1 4.2Å; R3-M32 HydrophobicContact CB-CE 3.97Å; R3-M32 HydrophobicContact CB-SD 4.12Å; R3-G33 PolarHBondContact NH1-O 3.35Å; R3-E35 PolarHBondContact NH2-O 3.03Å; R3-E40 IonicContact CZ-OE1 3.92Å; R3-E40 IonicContact CZ-OE2 2.8Å; R3-E40 IonicContact NE-OE1 3.53Å; R3-E40 PolarHBondContact NE-OE1 3.32Å; R3-E40 IonicContact NE-OE2 2.9Å; R3-E40 VanDerWaalsContact NH2-CD 3.33Å; R3-E40 IonicContact NH2-OE1 2.81Å; R3-E40 PolarHBondContact NH2-OE1 2.97Å; R3-E40 IonicContact NH2-OE2 3.45Å; R3-E40 PolarHBondContact NH2-OE2 3.45Å
4T95.4Very high95.5Very high102 Ų10265.4 Ų65.463%0.62633%0.326SS*.Hα-helixtrans-69.7-43-176.2-58.60000111.1D2 L6 I7 Q8D2-T4 VanDerWaalsContact C-N 3.28Å; D2-T4 PolarHBondContact O-N 2.81Å; D2-T4 PolarHBondContact OD1-N 2.81Å; T4-L6 VanDerWaalsContact C-N 3.35Å; T4-L6 PolarHBondContact O-N 3.42Å; T4-I7 PolarHBondContact O-N 2.91Å; T4-Q8 WeakPolarHBondContact O-CB 3.49Å; T4-Q8 PolarHBondContact O-N 3.18Å
5D96.8Very high95.7Very high83 Ų8371.4 Ų71.444%0.44435%0.353SS..Hα-helixtrans-60.1-43.7174.1-72.7-25.2000111.7M1 D2 Q8 K9M1-D5 HydrophobicContact CG-CB 3.41Å; M1-D5 VanDerWaalsContact CG-CB 3.41Å; M1-D5 HydrophobicContact SD-CB 3.88Å; D2-D5 PolarHBondContact O-N 3.11Å; D2-D5 WeakPolarHBondContact OD1-CB 3.42Å; D2-D5 VanDerWaalsContact OD1-CG 3.3Å; D2-D5 PolarHBondContact OD1-N 2.92Å; D5-Q8 PolarHBondContact O-N 2.79Å; D5-K9 WeakPolarHBondContact O-CB 3.43Å; D5-K9 PolarHBondContact O-N 3.33Å
6L97.6Very high95.8Very high3 Ų370.9 Ų70.92%0.01636%0.363CS..Hα-helixtrans-63.2-42.3178.1-73.7169.2000111.9M1 D2 R3 T4 K9 A10 C25 E28 V29 M32M1-L6 HydrophobicContact CB-CD2 4.09Å; M1-L6 HydrophobicContact CB-CG 4.07Å; M1-L6 HydrophobicContact CG-CD2 4.48Å; M1-L6 HydrophobicContact CG-CG 4.43Å; M1-L6 HydrophobicContact SD-CD2 3.9Å; M1-L6 HydrophobicContact SD-CG 4.27Å; D2-L6 WeakPolarHBondContact O-CG 3.41Å; D2-L6 PolarHBondContact O-N 3.22Å; D2-L6 VanDerWaalsContact O-N 3.09Å; R3-L6 PolarHBondContact O-N 3.33Å; T4-L6 VanDerWaalsContact C-N 3.35Å; T4-L6 PolarHBondContact O-N 3.42Å; L6-K9 PolarHBondContact O-N 2.83Å; L6-A10 WeakPolarHBondContact O-CB 3.44Å; L6-A10 PolarHBondContact O-N 2.95Å; L6-C25 HydrophobicContact CD2-CB 4.49Å; L6-E28 HydrophobicContact CD1-CB 3.73Å; L6-E28 HydrophobicContact CD2-CB 4.24Å; L6-V29 HydrophobicContact CB-CG2 3.48Å; L6-V29 VanDerWaalsContact CB-CG2 3.48Å; L6-V29 HydrophobicContact CD1-CG2 4.02Å; L6-V29 HydrophobicContact CG-CG2 4.4Å; L6-M32 HydrophobicContact CD1-SD 3.81Å
7I97.5Very high95.9Very high21 Ų2175.3 Ų75.311%0.10838%0.382CS..Hα-helixtrans-64.1-43.7176.1-67.8161.2000110.4R3 T4 K9 A10 K11 V29 E40 L43R3-I7 HydrophobicContact CG-CD1 3.86Å; R3-I7 WeakPolarHBondContact O-CD1 3.18Å; R3-I7 VanDerWaalsContact O-CG1 3.24Å; R3-I7 WeakPolarHBondContact O-CG1 3.45Å; R3-I7 PolarHBondContact O-N 3.04Å; R3-I7 VanDerWaalsContact O-N 3.07Å; T4-I7 PolarHBondContact O-N 2.91Å; I7-K9 VanDerWaalsContact C-N 3.3Å; I7-K9 PolarHBondContact O-N 3.08Å; I7-A10 WeakPolarHBondContact O-CB 3.45Å; I7-A10 PolarHBondContact O-N 3.41Å; I7-K11 HydrophobicContact CG2-CD 4.47Å; I7-K11 WeakPolarHBondContact O-CG 3.33Å; I7-K11 PolarHBondContact O-N 2.99Å; I7-V29 HydrophobicContact CG1-CG1 4.44Å; I7-V29 HydrophobicContact CG1-CG2 4.02Å; I7-E40 HydrophobicContact CD1-CG 3.82Å; I7-E40 WeakPolarHBondContact CD1-OE1 3.25Å; I7-E40 HydrophobicContact CG1-CG 4.27Å; I7-L43 HydrophobicContact CG2-CD1 4.08Å
8Q97.8Very high96Very high103 Ų10378.9 Ų78.948%0.48139%0.39SS..Hα-helixtrans-63.1-40.4177.8-173.361.810.300111.2T4 D5 K11 L12T4-Q8 WeakPolarHBondContact O-CB 3.49Å; T4-Q8 PolarHBondContact O-N 3.18Å; D5-Q8 PolarHBondContact O-N 2.79Å; Q8-K11 PolarHBondContact O-N 3.32Å; Q8-L12 WeakPolarHBondContact O-CG 2.93Å; Q8-L12 PolarHBondContact O-N 3.36Å
9K97.9Very high96.1Very high97 Ų9777.8 Ų77.842%0.42238%0.382SS..Hα-helixtrans-65.4-39.1174.7-168.9178.4173-163.50112.2M1 D5 L6 I7 K11 L12 A13M1-K9 HydrophobicContact CE-CD 4.14Å; M1-K9 HydrophobicContact SD-CD 4.19Å; D5-K9 WeakPolarHBondContact O-CB 3.43Å; D5-K9 PolarHBondContact O-N 3.33Å; L6-K9 PolarHBondContact O-N 2.83Å; I7-K9 VanDerWaalsContact C-N 3.3Å; I7-K9 PolarHBondContact O-N 3.08Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 3.46Å; K9-L12 PolarHBondContact O-N 2.94Å; K9-A13 WeakPolarHBondContact O-CB 3.4Å; K9-A13 PolarHBondContact O-N 3.25Å
10A98.3Very high96.2Very high0 Ų077.5 Ų77.50%038%0.382CS..Hα-helixtrans-60.9-42.6174.600000111.6L6 I7 A13 E14 M22 C25 M26L6-A10 WeakPolarHBondContact O-CB 3.44Å; L6-A10 PolarHBondContact O-N 2.95Å; I7-A10 WeakPolarHBondContact O-CB 3.45Å; I7-A10 PolarHBondContact O-N 3.41Å; A10-A13 WeakPolarHBondContact O-CB 3.31Å; A10-A13 PolarHBondContact O-N 3.37Å; A10-E14 PolarHBondContact O-N 3.04Å; A10-M22 HydrophobicContact CB-CG 4.16Å; A10-C25 HydrophobicContact CB-CB 3.98Å; A10-M26 HydrophobicContact CB-CG 4Å; A10-M26 HydrophobicContact CB-SD 3.73Å
11K98.2Very high96.3Very high51 Ų5175.9 Ų75.922%0.22237%0.374CS..Hα-helixtrans-63.2-40.8174.7-69.5174.3176.7-176.80112.7I7 Q8 K9 A13 E14 Q15 E39 L43I7-K11 HydrophobicContact CG2-CD 4.47Å; I7-K11 WeakPolarHBondContact O-CG 3.33Å; I7-K11 PolarHBondContact O-N 2.99Å; Q8-K11 PolarHBondContact O-N 3.32Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 3.46Å; K11-A13 VanDerWaalsContact C-N 3.34Å; K11-E14 WeakPolarHBondContact O-CB 3.49Å; K11-E14 PolarHBondContact O-N 3.31Å; K11-Q15 WeakPolarHBondContact O-CG 3.42Å; K11-Q15 PolarHBondContact O-N 3.33Å; K11-Q15 VanDerWaalsContact O-N 3.11Å; K11-E39 WeakPolarHBondContact CE-OE1 3.3Å; K11-E39 VanDerWaalsContact NZ-CD 3.35Å; K11-E39 IonicContact NZ-OE1 2.61Å; K11-E39 PolarHBondContact NZ-OE1 3.1Å; K11-E39 IonicContact NZ-OE2 2.91Å; K11-L43 HydrophobicContact CG-CD1 4.12Å; K11-L43 HydrophobicContact CG-CD2 4.15Å
12L98.3Very high97.3Very high95 Ų9569.4 Ų69.450%0.49734%0.343SS..Hα-helixtrans-65-39.7174.2-68.9172.1000111.5Q8 K9 Q15 A16Q8-L12 WeakPolarHBondContact O-CG 2.93Å; Q8-L12 PolarHBondContact O-N 3.36Å; K9-L12 PolarHBondContact O-N 2.94Å; L12-Q15 PolarHBondContact O-N 3.08Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.22Å
13A98.3Very high97.6Very high8 Ų865.6 Ų65.67%0.06632%0.323CS..Hα-helixtrans-65.3-39176.500000112K9 A10 K11 A16 E17 R18 D21 M22K9-A13 WeakPolarHBondContact O-CB 3.4Å; K9-A13 PolarHBondContact O-N 3.25Å; A10-A13 WeakPolarHBondContact O-CB 3.31Å; A10-A13 PolarHBondContact O-N 3.37Å; K11-A13 VanDerWaalsContact C-N 3.34Å; A13-A16 CarbonylContact O-C 3.58Å; A13-A16 PolarHBondContact O-N 3.21Å; A13-E17 PolarHBondContact O-N 3.03Å; A13-R18 HydrophobicContact CB-CB 4.46Å; A13-R18 PolarHBondContact O-N 2.78Å; A13-D21 HydrophobicContact CB-CB 4.1Å; A13-M22 HydrophobicContact CB-CB 3.84Å
14E97.9Very high97.7Very high69 Ų6965.9 Ų65.932%0.32233%0.329SS..Hα-helixtrans-58.8-49.2172.4-175.5178.6-149.400111.5A10 K11 A16 E17 M22A10-E14 PolarHBondContact O-N 3.04Å; K11-E14 WeakPolarHBondContact O-CB 3.49Å; K11-E14 PolarHBondContact O-N 3.31Å; E14-A16 PolarHBondContact O-N 2.77Å; E14-E17 PolarHBondContact O-N 3.23Å; E14-M22 HydrophobicContact CB-CE 3.85Å; E14-M22 HydrophobicContact CB-SD 3.8Å; E14-M22 HydrophobicContact CG-CE 4.09Å; E14-M22 HydrophobicContact CG-SD 4.23Å
15Q97.4Very high97.8Very high156 Ų15661.2 Ų61.273%0.72930%0.301SS*.Hα-helixtrans-63.4-28.9177.9-69.6175.916.700113.2K11 L12 E17K11-Q15 WeakPolarHBondContact O-CG 3.42Å; K11-Q15 PolarHBondContact O-N 3.33Å; K11-Q15 VanDerWaalsContact O-N 3.11Å; L12-Q15 PolarHBondContact O-N 3.08Å; Q15-E17 VanDerWaalsContact C-N 3.32Å
16A97.8Very high97.9Very high63 Ų6357.2 Ų57.252%0.52128%0.279SS..THydrogen-bonded Turntrans-89.43.7175.900000113.2L12 A13 E14 R18L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.22Å; A13-A16 CarbonylContact O-C 3.58Å; A13-A16 PolarHBondContact O-N 3.21Å; E14-A16 PolarHBondContact O-N 2.77Å; A16-R18 HydrophobicContact CB-CG 4.18Å; A16-R18 PolarHBondContact O-N 3.22Å; A16-R18 VanDerWaalsContact O-N 3.08Å
17E97.3Very high97.9Very high146 Ų14660.3 Ų60.368%0.68229%0.291SS*.THydrogen-bonded Turntrans54.224.5-174.9-57.4-175.518000113.9A13 E14 Q15 Y19A13-E17 PolarHBondContact O-N 3.03Å; E14-E17 PolarHBondContact O-N 3.23Å; Q15-E17 VanDerWaalsContact C-N 3.32Å; E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 HydrophobicContact CB-CE2 3.9Å; E17-Y19 HydrophobicContact CG-CE2 4.46Å; E17-Y19 VanDerWaalsContact O-CD2 3.28Å; E17-Y19 WeakPolarHBondContact O-CD2 3.35Å; E17-Y19 PolarHBondContact O-N 3.49Å; E17-Y19 VanDerWaalsContact O-N 3.15Å
18R98.1Very high97.9Very high141 Ų14163.4 Ų63.453%0.53231%0.305SS..  trans-89.468.2176.6-67.6-161.964.6-173.5-7.2110.4A13 A16 D20 D21 M22A13-R18 HydrophobicContact CB-CB 4.46Å; A13-R18 PolarHBondContact O-N 2.78Å; A16-R18 HydrophobicContact CB-CG 4.18Å; A16-R18 PolarHBondContact O-N 3.22Å; A16-R18 VanDerWaalsContact O-N 3.08Å; R18-D20 VanDerWaalsContact C-N 3.3Å; R18-D20 PolarHBondContact O-N 2.94Å; R18-D21 HydrophobicContact CB-CB 4.16Å; R18-D21 VanDerWaalsContact CZ-CG 3.43Å; R18-D21 IonicContact CZ-OD1 2.63Å; R18-D21 IonicContact CZ-OD2 2.78Å; R18-D21 IonicContact NE-OD1 3.28Å; R18-D21 PolarHBondContact NE-OD1 3.28Å; R18-D21 IonicContact NE-OD2 2.91Å; R18-D21 PolarHBondContact NE-OD2 3.32Å; R18-D21 VanDerWaalsContact NE-OD2 3.15Å; R18-D21 IonicContact NH1-OD2 3.82Å; R18-D21 PolarHBondContact NH1-OD2 3.39Å; R18-D21 IonicContact NH2-OD1 2.94Å; R18-D21 PolarHBondContact NH2-OD1 2.86Å; R18-D21 IonicContact NH2-OD2 3.83Å; R18-D21 PolarHBondContact NH2-OD2 2.89Å; R18-D21 WeakPolarHBondContact O-CB 3.34Å; R18-D21 PolarHBondContact O-N 2.95Å; R18-D21 VanDerWaalsContact O-N 3.15Å; R18-M22 PolarHBondContact O-N 2.97Å
19Y98.1Very high97.9Very high58 Ų5858.5 Ų58.523%0.22728%0.282CS..Hα-helixtrans-65.3-28.2-172.5-58.1-71.9000114.5E17 M22 A23 N50 V51E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 HydrophobicContact CB-CE2 3.9Å; E17-Y19 HydrophobicContact CG-CE2 4.46Å; E17-Y19 VanDerWaalsContact O-CD2 3.28Å; E17-Y19 WeakPolarHBondContact O-CD2 3.35Å; E17-Y19 PolarHBondContact O-N 3.49Å; E17-Y19 VanDerWaalsContact O-N 3.15Å; Y19-M22 HydrophobicContact CD1-SD 4.13Å; Y19-M22 WeakPolarHBondContact O-CB 3.33Å; Y19-M22 PolarHBondContact O-N 3.41Å; Y19-A23 WeakPolarHBondContact O-CB 3.5Å; Y19-A23 PolarHBondContact O-N 3.44Å; Y19-N50 HydrophobicContact CD1-CB 3.53Å; Y19-N50 HydrophobicContact CD2-CB 3.59Å; Y19-N50 HydrophobicContact CE1-CB 3.93Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.34Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.43Å; Y19-N50 HydrophobicContact CE2-CB 3.98Å; Y19-N50 HydrophobicContact CG-CB 3.33Å; Y19-V51 VanDerWaalsContact O-CG2 3.26Å; Y19-V51 WeakPolarHBondContact O-CG2 3.48Å
20D97.3Very high97.8Very high71 Ų7154 Ų5438%0.3826%0.263SS..Hα-helixtrans-63.8-46.1173-60.3-87.6000110.7R18 M22 A23 D24 R55R18-D20 VanDerWaalsContact C-N 3.3Å; R18-D20 PolarHBondContact O-N 2.94Å; D20-M22 VanDerWaalsContact C-N 3.33Å; D20-M22 PolarHBondContact O-N 3.06Å; D20-A23 PolarHBondContact O-N 3.37Å; D20-D24 PolarHBondContact O-N 3.3Å; D20-R55 IonicContact OD1-CZ 2.9Å; D20-R55 IonicContact OD1-NH1 3.15Å; D20-R55 PolarHBondContact OD1-NH1 3.48Å; D20-R55 VanDerWaalsContact OD1-NH1 3.14Å; D20-R55 IonicContact OD1-NH2 3.26Å; D20-R55 PolarHBondContact OD1-NH2 3.48Å; D20-R55 IonicContact OD2-NH1 3.24Å; D20-R55 IonicContact OD2-NH2 3.59Å
21D98Very high97.7Very high43 Ų4358.3 Ų58.323%0.2328%0.283CS..Hα-helixtrans-62.5-40.1174.9-65.925.7000111.8A13 R18 A23 D24 C25A13-D21 HydrophobicContact CB-CB 4.1Å; R18-D21 HydrophobicContact CB-CB 4.16Å; R18-D21 VanDerWaalsContact CZ-CG 3.43Å; R18-D21 IonicContact CZ-OD1 2.63Å; R18-D21 IonicContact CZ-OD2 2.78Å; R18-D21 IonicContact NE-OD1 3.28Å; R18-D21 PolarHBondContact NE-OD1 3.28Å; R18-D21 IonicContact NE-OD2 2.91Å; R18-D21 PolarHBondContact NE-OD2 3.32Å; R18-D21 VanDerWaalsContact NE-OD2 3.15Å; R18-D21 IonicContact NH1-OD2 3.82Å; R18-D21 PolarHBondContact NH1-OD2 3.39Å; R18-D21 IonicContact NH2-OD1 2.94Å; R18-D21 PolarHBondContact NH2-OD1 2.86Å; R18-D21 IonicContact NH2-OD2 3.83Å; R18-D21 PolarHBondContact NH2-OD2 2.89Å; R18-D21 WeakPolarHBondContact O-CB 3.34Å; R18-D21 PolarHBondContact O-N 2.95Å; R18-D21 VanDerWaalsContact O-N 3.15Å; D21-A23 VanDerWaalsContact C-N 3.34Å; D21-D24 PolarHBondContact O-N 3.06Å; D21-C25 PolarHBondContact O-N 3.5Å; D21-C25 PolarHBondContact O-SG 3.16Å
22M98.3Very high97.5Very high0 Ų061 Ų610%030%0.297CS..Hα-helixtrans-61.3-44.1176.3-169.7-169.7-178.900110.8A10 A13 E14 R18 Y19 D20 C25 M26 L43 V46 A47A10-M22 HydrophobicContact CB-CG 4.16Å; A13-M22 HydrophobicContact CB-CB 3.84Å; E14-M22 HydrophobicContact CB-CE 3.85Å; E14-M22 HydrophobicContact CB-SD 3.8Å; E14-M22 HydrophobicContact CG-CE 4.09Å; E14-M22 HydrophobicContact CG-SD 4.23Å; R18-M22 PolarHBondContact O-N 2.97Å; Y19-M22 HydrophobicContact CD1-SD 4.13Å; Y19-M22 WeakPolarHBondContact O-CB 3.33Å; Y19-M22 PolarHBondContact O-N 3.41Å; D20-M22 VanDerWaalsContact C-N 3.33Å; D20-M22 PolarHBondContact O-N 3.06Å; M22-C25 PolarHBondContact O-N 3.44Å; M22-M26 WeakPolarHBondContact O-CG 3.36Å; M22-M26 PolarHBondContact O-N 2.93Å; M22-L43 HydrophobicContact CE-CB 3.97Å; M22-L43 HydrophobicContact CE-CD2 3.49Å; M22-L43 VanDerWaalsContact CE-CD2 3.49Å; M22-L43 HydrophobicContact CE-CG 4.35Å; M22-L43 VanDerWaalsContact CE-O 3.29Å; M22-L43 WeakPolarHBondContact CE-O 3.22Å; M22-V46 HydrophobicContact CE-CB 4.28Å; M22-V46 HydrophobicContact CE-CG1 4.21Å; M22-V46 HydrophobicContact SD-CG1 4.44Å; M22-A47 HydrophobicContact CB-CB 4.01Å; M22-A47 HydrophobicContact CE-CB 4.21Å; M22-A47 HydrophobicContact CG-CB 3.63Å; M22-A47 HydrophobicContact SD-CB 3.61Å
23A97.9Very high97.1Very high5 Ų557.4 Ų57.44%0.04128%0.284CS..Hα-helixtrans-66.2-40178.900000111.8Y19 D20 D21 M26 R27 A47 Y48 V51Y19-A23 WeakPolarHBondContact O-CB 3.5Å; Y19-A23 PolarHBondContact O-N 3.44Å; D20-A23 PolarHBondContact O-N 3.37Å; D21-A23 VanDerWaalsContact C-N 3.34Å; A23-M26 PolarHBondContact O-N 2.72Å; A23-R27 WeakPolarHBondContact O-CB 3.43Å; A23-R27 PolarHBondContact O-N 3.16Å; A23-A47 HydrophobicContact CB-CB 4.1Å; A23-Y48 HydrophobicContact CB-CD1 4.04Å; A23-Y48 HydrophobicContact CB-CE1 3.86Å; A23-Y48 HydrophobicContact CB-CE2 4.35Å; A23-Y48 HydrophobicContact CB-CG 4.37Å; A23-V51 HydrophobicContact CB-CG2 4.07Å
24D97.9Very high96.6Very high68 Ų6859.3 Ų59.336%0.36430%0.304SS..Hα-helixtrans-62.2-44.6174.5-80.1-31.4000111.9D20 D21 M26 R27 E28D20-D24 PolarHBondContact O-N 3.3Å; D21-D24 PolarHBondContact O-N 3.06Å; D24-M26 PolarHBondContact O-N 3.5Å; D24-R27 WeakPolarHBondContact O-CB 3.39Å; D24-R27 PolarHBondContact O-N 3.12Å; D24-R27 IonicContact OD1-CZ 3.46Å; D24-R27 IonicContact OD1-NH1 2.78Å; D24-R27 PolarHBondContact OD1-NH1 3.19Å; D24-R27 IonicContact OD1-NH2 3.23Å; D24-R27 PolarHBondContact OD1-NH2 2.94Å; D24-E28 PolarHBondContact O-N 3.23Å; D24-E28 VanDerWaalsContact O-N 3.12Å
25C98.1Very high96.3Very high4 Ų460.1 Ų60.13%0.02731%0.307CS..Hα-helixtrans-62.5-44.6176.8-63.60000111.5L6 A10 D21 M22 E28 V29L6-C25 HydrophobicContact CD2-CB 4.49Å; A10-C25 HydrophobicContact CB-CB 3.98Å; D21-C25 PolarHBondContact O-N 3.5Å; D21-C25 PolarHBondContact O-SG 3.16Å; M22-C25 PolarHBondContact O-N 3.44Å; C25-E28 PolarHBondContact O-N 3.38Å; C25-V29 WeakPolarHBondContact O-CG2 3.27Å; C25-V29 PolarHBondContact O-N 3.29Å
26M98.1Very high96.1Very high0 Ų053 Ų530%028%0.275CS..Hα-helixtrans-72.3-27.3-179.3-67.7-52.8-53.100113.2A10 M22 A23 D24 V29 T30 E40 L43 L44A10-M26 HydrophobicContact CB-CG 4Å; A10-M26 HydrophobicContact CB-SD 3.73Å; M22-M26 WeakPolarHBondContact O-CG 3.36Å; M22-M26 PolarHBondContact O-N 2.93Å; A23-M26 PolarHBondContact O-N 2.72Å; D24-M26 PolarHBondContact O-N 3.5Å; M26-V29 HydrophobicContact CE-CB 4.41Å; M26-V29 HydrophobicContact CE-CG1 4.29Å; M26-T30 WeakPolarHBondContact O-CB 3.49Å; M26-T30 PolarHBondContact O-N 3.46Å; M26-T30 PolarHBondContact O-OG1 3.39Å; M26-E40 HydrophobicContact CE-CB 4.24Å; M26-E40 WeakPolarHBondContact CE-O 3.24Å; M26-L43 HydrophobicContact CE-CB 4.06Å; M26-L43 HydrophobicContact CG-CB 4.26Å; M26-L43 HydrophobicContact SD-CB 3.83Å; M26-L43 HydrophobicContact SD-CD1 4.34Å; M26-L44 HydrophobicContact CB-CB 4.39Å; M26-L44 HydrophobicContact CB-CD1 3.71Å; M26-L44 HydrophobicContact CE-CB 4.13Å
27R97.6Very high95.9Very high67 Ų6752.7 Ų52.725%0.25327%0.268SS..Hα-helixtrans-60.4-52.7167.4-179.9-177.666.1-130.6-13.4110.2A23 D24 V29 T30 E31 L100A23-R27 WeakPolarHBondContact O-CB 3.43Å; A23-R27 PolarHBondContact O-N 3.16Å; D24-R27 WeakPolarHBondContact O-CB 3.39Å; D24-R27 PolarHBondContact O-N 3.12Å; D24-R27 IonicContact OD1-CZ 3.46Å; D24-R27 IonicContact OD1-NH1 2.78Å; D24-R27 PolarHBondContact OD1-NH1 3.19Å; D24-R27 IonicContact OD1-NH2 3.23Å; D24-R27 PolarHBondContact OD1-NH2 2.94Å; R27-V29 VanDerWaalsContact C-N 3.33Å; R27-V29 PolarHBondContact O-N 3Å; R27-T30 WeakPolarHBondContact O-CB 3.43Å; R27-T30 PolarHBondContact O-N 3.15Å; R27-E31 HydrophobicContact CG-CG 4.34Å; R27-E31 WeakPolarHBondContact O-CG 3.41Å; R27-E31 PolarHBondContact O-N 2.95Å; R27-L100 HydrophobicContact CB-CD1 4.3Å; R27-L100 HydrophobicContact CG-CD1 4.11Å; R27-L100 HydrophobicContact CG-CD2 4Å
28E97.3Very high95.6Very high87 Ų8750 Ų5041%0.40726%0.258SS..Hα-helixtrans-58.6-45.1179.8-71.9-178.4-139.100111.3L6 D24 C25 T30 E31 M32L6-E28 HydrophobicContact CD1-CB 3.73Å; L6-E28 HydrophobicContact CD2-CB 4.24Å; D24-E28 PolarHBondContact O-N 3.23Å; D24-E28 VanDerWaalsContact O-N 3.12Å; C25-E28 PolarHBondContact O-N 3.38Å; E28-T30 VanDerWaalsContact C-N 3.26Å; E28-T30 PolarHBondContact O-N 3.24Å; E28-E31 PolarHBondContact O-N 2.7Å; E28-M32 VanDerWaalsContact O-CG 3.29Å; E28-M32 WeakPolarHBondContact O-CG 3.49Å; E28-M32 PolarHBondContact O-N 2.96Å
29V97.2Very high95.3Very high0 Ų048.1 Ų48.10%026%0.256CS..Hα-helixtrans-56.6-41174.9170.40000111.9R3 L6 I7 C25 M26 R27 L36R3-V29 HydrophobicContact CG-CG1 4.2Å; L6-V29 HydrophobicContact CB-CG2 3.48Å; L6-V29 VanDerWaalsContact CB-CG2 3.48Å; L6-V29 HydrophobicContact CD1-CG2 4.02Å; L6-V29 HydrophobicContact CG-CG2 4.4Å; I7-V29 HydrophobicContact CG1-CG1 4.44Å; I7-V29 HydrophobicContact CG1-CG2 4.02Å; C25-V29 WeakPolarHBondContact O-CG2 3.27Å; C25-V29 PolarHBondContact O-N 3.29Å; M26-V29 HydrophobicContact CE-CB 4.41Å; M26-V29 HydrophobicContact CE-CG1 4.29Å; R27-V29 VanDerWaalsContact C-N 3.33Å; R27-V29 PolarHBondContact O-N 3Å; V29-L36 HydrophobicContact CG1-CD2 3.96Å
30T96.6Very high95.2Very high3 Ų346.2 Ų46.22%0.01825%0.249CC..Hα-helixtrans-69.3-41.6179.6-590000111.8M26 R27 E28 M32 G33 L100 Y104 L105M26-T30 WeakPolarHBondContact O-CB 3.49Å; M26-T30 PolarHBondContact O-N 3.46Å; M26-T30 PolarHBondContact O-OG1 3.39Å; R27-T30 WeakPolarHBondContact O-CB 3.43Å; R27-T30 PolarHBondContact O-N 3.15Å; E28-T30 VanDerWaalsContact C-N 3.26Å; E28-T30 PolarHBondContact O-N 3.24Å; T30-M32 VanDerWaalsContact C-N 3.31Å; T30-M32 PolarHBondContact O-N 3.18Å; T30-G33 PolarHBondContact O-N 3.35Å; T30-G33 VanDerWaalsContact O-N 3.12Å; T30-L100 HydrophobicContact CG2-CB 4.2Å; T30-L100 HydrophobicContact CG2-CD2 3.86Å; T30-Y104 HydrophobicContact CG2-CG 4.31Å; T30-L105 HydrophobicContact CG2-CD1 4.15Å; T30-L105 HydrophobicContact CG2-CD2 3.66Å; T30-L105 HydrophobicContact CG2-CG 3.81Å
31E96.1Very high95.1Very high90 Ų9043.5 Ų43.542%0.42123%0.233SC..Hα-helixtrans-72.8-22.2-179-69.8177.4161.700113.2R27 E28 G33 L100 Y104R27-E31 HydrophobicContact CG-CG 4.34Å; R27-E31 WeakPolarHBondContact O-CG 3.41Å; R27-E31 PolarHBondContact O-N 2.95Å; E28-E31 PolarHBondContact O-N 2.7Å; E31-G33 PolarHBondContact O-N 3.5Å; E31-L100 HydrophobicContact CG-CD2 3.79Å; E31-Y104 HydrophobicContact CB-CE1 4.49Å; E31-Y104 HydrophobicContact CG-CE2 3.97Å
32M94.2Very high94.9Very high106 Ų10645.5 Ų45.552%0.52224%0.244SC..THydrogen-bonded Turntrans-63.2-16.9168.6-70.7176.677.800113R3 L6 E28 T30R3-M32 HydrophobicContact CB-CE 3.97Å; R3-M32 HydrophobicContact CB-SD 4.12Å; L6-M32 HydrophobicContact CD1-SD 3.81Å; E28-M32 VanDerWaalsContact O-CG 3.29Å; E28-M32 WeakPolarHBondContact O-CG 3.49Å; E28-M32 PolarHBondContact O-N 2.96Å; T30-M32 VanDerWaalsContact C-N 3.31Å; T30-M32 PolarHBondContact O-N 3.18Å
33G88.9Confident94.9Very high21 Ų2146 Ų4622%0.21625%0.247CC..  trans82.6178.6176.700000114.8R3 T30 E31R3-G33 PolarHBondContact NH1-O 3.35Å; T30-G33 PolarHBondContact O-N 3.35Å; T30-G33 VanDerWaalsContact O-N 3.12Å; E31-G33 PolarHBondContact O-N 3.5Å
34G88.1Confident94.8Very high47 Ų4745.8 Ų45.849%0.48525%0.245SC..SBendtrans84167.9-170.200000112.7
35E91.2Very high94.7Very high86 Ų8644.3 Ų44.340%0.40224%0.24SC..PPolyproline II helixtrans-74.8143.6177.3-163.8162.2-15500109.9R3R3-E35 PolarHBondContact NH2-O 3.03Å
36L94.2Very high94.7Very high8 Ų845.9 Ų45.94%0.04225%0.25CC..PPolyproline II helixtrans-83.1138.8172.5-60.7-174.3000109.6V29 E40 R41 L44 L105V29-L36 HydrophobicContact CG1-CD2 3.96Å; L36-E40 VanDerWaalsContact CA-OE2 3.26Å; L36-E40 WeakPolarHBondContact CA-OE2 3.46Å; L36-E40 HydrophobicContact CB-CB 3.99Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; L36-R41 HydrophobicContact CB-CB 4.4Å; L36-L44 HydrophobicContact CD1-CD2 3.96Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.83Å
37S93.4Very high94.6Very high55 Ų5545.9 Ų45.939%0.38525%0.25SC..PPolyproline II helixtrans-65.7166168.179.40000110.8E39 E40 R41S37-E39 PolarHBondContact O-N 2.97Å; S37-E39 PolarHBondContact OG-N 3.36Å; S37-E40 PolarHBondContact N-OE2 3.48Å; S37-E40 PolarHBondContact O-N 2.89Å; S37-E40 WeakPolarHBondContact OG-CG 3.25Å; S37-E40 PolarHBondContact OG-N 3.06Å; S37-R41 VanDerWaalsContact O-CB 3.24Å; S37-R41 WeakPolarHBondContact O-CB 3.48Å; S37-R41 PolarHBondContact O-N 2.87Å
38N90.1Very high94.7Very high89 Ų8943.2 Ų43.248%0.47624%0.239SC..Hα-helixtrans-57.2-38.6175.4-75.7-14.1000112.2R41 N42N38-R41 PolarHBondContact OD1-NH2 2.89Å; N38-R41 VanDerWaalsContact OD1-NH2 3.16Å; N38-N42 WeakPolarHBondContact O-CB 3.48Å; N38-N42 PolarHBondContact O-N 2.9Å; N38-N42 PolarHBondContact O-ND2 3.35Å; N38-N42 PolarHBondContact O-OD1 3.25Å
39E93.2Very high94.6Very high102 Ų10244.8 Ų44.848%0.47725%0.245SC..Hα-helixtrans-66.4-48.8177-174.5-179.5-158.400111.5K11 S37 R41 N42 L43K11-E39 WeakPolarHBondContact CE-OE1 3.3Å; K11-E39 VanDerWaalsContact NZ-CD 3.35Å; K11-E39 IonicContact NZ-OE1 2.61Å; K11-E39 PolarHBondContact NZ-OE1 3.1Å; K11-E39 IonicContact NZ-OE2 2.91Å; S37-E39 PolarHBondContact O-N 2.97Å; S37-E39 PolarHBondContact OG-N 3.36Å; E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.15Å; E39-N42 PolarHBondContact O-N 3.21Å; E39-L43 HydrophobicContact CG-CD1 4.45Å; E39-L43 WeakPolarHBondContact O-CG 3.35Å; E39-L43 PolarHBondContact O-N 3.1Å
40E95.9Very high94.6Very high19 Ų1947.1 Ų47.19%0.08926%0.257CS..Hα-helixtrans-62.5-40.6178.8-68.2167.8157.300111.6R3 I7 M26 L36 S37 N42 L43 L44R3-E40 IonicContact CZ-OE1 3.92Å; R3-E40 IonicContact CZ-OE2 2.8Å; R3-E40 IonicContact NE-OE1 3.53Å; R3-E40 PolarHBondContact NE-OE1 3.32Å; R3-E40 IonicContact NE-OE2 2.9Å; R3-E40 VanDerWaalsContact NH2-CD 3.33Å; R3-E40 IonicContact NH2-OE1 2.81Å; R3-E40 PolarHBondContact NH2-OE1 2.97Å; R3-E40 IonicContact NH2-OE2 3.45Å; R3-E40 PolarHBondContact NH2-OE2 3.45Å; I7-E40 HydrophobicContact CD1-CG 3.82Å; I7-E40 WeakPolarHBondContact CD1-OE1 3.25Å; I7-E40 HydrophobicContact CG1-CG 4.27Å; M26-E40 HydrophobicContact CE-CB 4.24Å; M26-E40 WeakPolarHBondContact CE-O 3.24Å; L36-E40 VanDerWaalsContact CA-OE2 3.26Å; L36-E40 WeakPolarHBondContact CA-OE2 3.46Å; L36-E40 HydrophobicContact CB-CB 3.99Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; S37-E40 PolarHBondContact N-OE2 3.48Å; S37-E40 PolarHBondContact O-N 2.89Å; S37-E40 WeakPolarHBondContact OG-CG 3.25Å; S37-E40 PolarHBondContact OG-N 3.06Å; E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 3.23Å; E40-L43 PolarHBondContact O-N 3.14Å; E40-L44 WeakPolarHBondContact O-CB 3.49Å; E40-L44 PolarHBondContact O-N 3.38Å
41R95.3Very high94.6Very high13 Ų1347.2 Ų47.25%0.04926%0.258CS..Hα-helixtrans-62.3-40.9175.5-177179.871.8-175.71.2111.6L36 S37 N38 E39 S45 S114 F117 Y118L36-R41 HydrophobicContact CB-CB 4.4Å; S37-R41 VanDerWaalsContact O-CB 3.24Å; S37-R41 WeakPolarHBondContact O-CB 3.48Å; S37-R41 PolarHBondContact O-N 2.87Å; N38-R41 PolarHBondContact OD1-NH2 2.89Å; N38-R41 VanDerWaalsContact OD1-NH2 3.16Å; E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.15Å; R41-S45 WeakPolarHBondContact O-CB 3.46Å; R41-S45 PolarHBondContact O-N 3.12Å; R41-S45 VanDerWaalsContact O-N 3.09Å; R41-S114 VanDerWaalsContact NH1-CA 3.3Å; R41-S114 PolarHBondContact NH1-OG 3.38Å; R41-F117 VanDerWaalsContact CD-CD1 3.47Å; R41-F117 HydrophobicContact CG-CD1 3.58Å; R41-F117 HydrophobicContact CG-CE1 3.31Å; R41-F117 HydrophobicContact CG-CE2 4.36Å; R41-F117 HydrophobicContact CG-CG 4.22Å; R41-F117 HydrophobicContact CG-CZ 3.73Å; R41-Y118 HydrophobicContact CG-CE1 3.85Å
42N93.5Very high94.7Very high85 Ų8543 Ų4346%0.45524%0.238SC..Hα-helixtrans-66.1-44.7175.7-73.7-9.3000111.3N38 E39 E40 L44 S45 V46N38-N42 WeakPolarHBondContact O-CB 3.48Å; N38-N42 PolarHBondContact O-N 2.9Å; N38-N42 PolarHBondContact O-ND2 3.35Å; N38-N42 PolarHBondContact O-OD1 3.25Å; E39-N42 PolarHBondContact O-N 3.21Å; E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 3.23Å; N42-L44 PolarHBondContact O-N 2.95Å; N42-S45 PolarHBondContact O-N 3.38Å; N42-V46 WeakPolarHBondContact O-CG2 3.17Å; N42-V46 PolarHBondContact O-N 3.34Å
43L97.3Very high94.8Very high10 Ų1039 Ų395%0.05223%0.225CC..Hα-helixtrans-57.8-47.2175.4-70.8170.3000111.7I7 K11 M22 M26 E39 E40 S45 V46 A47I7-L43 HydrophobicContact CG2-CD1 4.08Å; K11-L43 HydrophobicContact CG-CD1 4.12Å; K11-L43 HydrophobicContact CG-CD2 4.15Å; M22-L43 HydrophobicContact CE-CB 3.97Å; M22-L43 HydrophobicContact CE-CD2 3.49Å; M22-L43 VanDerWaalsContact CE-CD2 3.49Å; M22-L43 HydrophobicContact CE-CG 4.35Å; M22-L43 VanDerWaalsContact CE-O 3.29Å; M22-L43 WeakPolarHBondContact CE-O 3.22Å; M26-L43 HydrophobicContact CE-CB 4.06Å; M26-L43 HydrophobicContact CG-CB 4.26Å; M26-L43 HydrophobicContact SD-CB 3.83Å; M26-L43 HydrophobicContact SD-CD1 4.34Å; E39-L43 HydrophobicContact CG-CD1 4.45Å; E39-L43 WeakPolarHBondContact O-CG 3.35Å; E39-L43 PolarHBondContact O-N 3.1Å; E40-L43 PolarHBondContact O-N 3.14Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 3.01Å; L43-V46 PolarHBondContact O-N 2.93Å; L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 3.31Å
44L97.4Very high95.2Very high2 Ų240.6 Ų40.61%0.0124%0.236CC..Hα-helixtrans-56.6-47176.6-178.975.2000111.5M26 L36 E40 N42 Y48 L105M26-L44 HydrophobicContact CB-CB 4.39Å; M26-L44 HydrophobicContact CB-CD1 3.71Å; M26-L44 HydrophobicContact CE-CB 4.13Å; L36-L44 HydrophobicContact CD1-CD2 3.96Å; E40-L44 WeakPolarHBondContact O-CB 3.49Å; E40-L44 PolarHBondContact O-N 3.38Å; N42-L44 PolarHBondContact O-N 2.95Å; L44-Y48 HydrophobicContact CD1-CD2 3.71Å; L44-Y48 HydrophobicContact CD1-CE2 3.53Å; L44-Y48 HydrophobicContact CG-CD2 4.2Å; L44-Y48 HydrophobicContact CG-CE2 4.47Å; L44-Y48 WeakPolarHBondContact O-CD2 3.25Å; L44-Y48 PolarHBondContact O-N 3.29Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; L44-L105 HydrophobicContact CD2-CD1 3.54Å
45S95.5Very high95.6Very high36 Ų3641 Ų4125%0.25222%0.223SC..Hα-helixtrans-65.3-45.4-179.8-177.70000112.2R41 N42 L43 A47 K49R41-S45 WeakPolarHBondContact O-CB 3.46Å; R41-S45 PolarHBondContact O-N 3.12Å; R41-S45 VanDerWaalsContact O-N 3.09Å; N42-S45 PolarHBondContact O-N 3.38Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 3.01Å; S45-A47 PolarHBondContact O-N 3.49Å; S45-K49 WeakPolarHBondContact O-CB 3.44Å; S45-K49 PolarHBondContact O-N 3.39Å
46V96.7Very high95.9Very high38 Ų3838.4 Ų38.423%0.2321%0.209CC..Hα-helixtrans-61.6-45.4177.6170.50000111M22 N42 L43 N50M22-V46 HydrophobicContact CE-CB 4.28Å; M22-V46 HydrophobicContact CE-CG1 4.21Å; M22-V46 HydrophobicContact SD-CG1 4.44Å; N42-V46 WeakPolarHBondContact O-CG2 3.17Å; N42-V46 PolarHBondContact O-N 3.34Å; L43-V46 PolarHBondContact O-N 2.93Å; V46-N50 PolarHBondContact O-N 2.86Å; V46-N50 VanDerWaalsContact O-N 3.14Å; V46-N50 PolarHBondContact O-ND2 3.4Å
47A97.9Very high96Very high0 Ų041.2 Ų41.20%023%0.229CC..Hα-helixtrans-56.8-59.1179.600000111.1M22 A23 L43 S45 K49 N50 V51M22-A47 HydrophobicContact CB-CB 4.01Å; M22-A47 HydrophobicContact CE-CB 4.21Å; M22-A47 HydrophobicContact CG-CB 3.63Å; M22-A47 HydrophobicContact SD-CB 3.61Å; A23-A47 HydrophobicContact CB-CB 4.1Å; L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 3.31Å; S45-A47 PolarHBondContact O-N 3.49Å; A47-K49 PolarHBondContact O-N 3.42Å; A47-N50 PolarHBondContact O-N 2.95Å; A47-V51 WeakPolarHBondContact O-CG2 3.38Å; A47-V51 PolarHBondContact O-N 3.39Å
48Y97.9Very high96.1Very high10 Ų1040.5 Ų40.54%0.03923%0.227CC..Hα-helixtrans-73.1-27.5-174.9-77.1-72000113.5A23 L44 V52 I93 V97 L100 Y125A23-Y48 HydrophobicContact CB-CD1 4.04Å; A23-Y48 HydrophobicContact CB-CE1 3.86Å; A23-Y48 HydrophobicContact CB-CE2 4.35Å; A23-Y48 HydrophobicContact CB-CG 4.37Å; L44-Y48 HydrophobicContact CD1-CD2 3.71Å; L44-Y48 HydrophobicContact CD1-CE2 3.53Å; L44-Y48 HydrophobicContact CG-CD2 4.2Å; L44-Y48 HydrophobicContact CG-CE2 4.47Å; L44-Y48 WeakPolarHBondContact O-CD2 3.25Å; L44-Y48 PolarHBondContact O-N 3.29Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; Y48-V52 WeakPolarHBondContact O-CB 3.46Å; Y48-V52 WeakPolarHBondContact O-CG1 3.49Å; Y48-V52 PolarHBondContact O-N 3.21Å; Y48-I93 HydrophobicContact CD1-CG2 4.33Å; Y48-V97 HydrophobicContact CD1-CG2 3.27Å; Y48-V97 HydrophobicContact CD2-CG2 3.87Å; Y48-V97 HydrophobicContact CE1-CG2 3.51Å; Y48-V97 HydrophobicContact CE2-CG2 4.08Å; Y48-V97 HydrophobicContact CG-CG2 3.46Å; Y48-V97 VanDerWaalsContact CG-CG2 3.46Å; Y48-L100 HydrophobicContact CE2-CD1 3.97Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.45Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.44Å; Y48-Y125 PolarHBondContact O-OH 3.05Å
49K95.9Very high96.4Very high120 Ų12037.9 Ų37.952%0.52221%0.21SC..Hα-helixtrans-60.7-45.3171.6-177.7-167.872.3172.30110.9S45 A47 G53S45-K49 WeakPolarHBondContact O-CB 3.44Å; S45-K49 PolarHBondContact O-N 3.39Å; A47-K49 PolarHBondContact O-N 3.42Å; K49-G53 WeakPolarHBondContact O-CA 3.4Å; K49-G53 PolarHBondContact O-N 2.8Å
50N97.1Very high96.5Very high49 Ų4938.3 Ų38.326%0.26221%0.208SC..Hα-helixtrans-70.9-44.3-179.8-78.5-67.4000111.8Y19 V46 A47 V52 G53 A54Y19-N50 HydrophobicContact CD1-CB 3.53Å; Y19-N50 HydrophobicContact CD2-CB 3.59Å; Y19-N50 HydrophobicContact CE1-CB 3.93Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.34Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.43Å; Y19-N50 HydrophobicContact CE2-CB 3.98Å; Y19-N50 HydrophobicContact CG-CB 3.33Å; V46-N50 PolarHBondContact O-N 2.86Å; V46-N50 VanDerWaalsContact O-N 3.14Å; V46-N50 PolarHBondContact O-ND2 3.4Å; A47-N50 PolarHBondContact O-N 2.95Å; N50-V52 PolarHBondContact O-N 3.32Å; N50-G53 PolarHBondContact O-N 2.99Å; N50-A54 PolarHBondContact O-N 3.19Å
51V97.3Very high96.4Very high6 Ų641.4 Ų41.44%0.03623%0.228CC..Hα-helixtrans-58.4-51.8177.5173.10000111.1Y19 A23 A47 R55 I93Y19-V51 VanDerWaalsContact O-CG2 3.26Å; Y19-V51 WeakPolarHBondContact O-CG2 3.48Å; A23-V51 HydrophobicContact CB-CG2 4.07Å; A47-V51 WeakPolarHBondContact O-CG2 3.38Å; A47-V51 PolarHBondContact O-N 3.39Å; V51-R55 WeakPolarHBondContact O-CD 3.23Å; V51-I93 HydrophobicContact CG1-CD1 3.64Å; V51-I93 HydrophobicContact CG1-CG1 3.99Å; V51-I93 HydrophobicContact CG1-CG2 4.14Å
52V97Very high96.3Very high1 Ų142 Ų421%0.00623%0.231CC..Hα-helixtrans-70-34.9179.979.10000112Y48 N50 A54 R55 R56 L90 I93 Y125 Y128Y48-V52 WeakPolarHBondContact O-CB 3.46Å; Y48-V52 WeakPolarHBondContact O-CG1 3.49Å; Y48-V52 PolarHBondContact O-N 3.21Å; N50-V52 PolarHBondContact O-N 3.32Å; V52-A54 PolarHBondContact O-N 2.83Å; V52-R55 PolarHBondContact O-N 3.49Å; V52-R56 HydrophobicContact CG2-CG 4.4Å; V52-R56 WeakPolarHBondContact O-CG 3.35Å; V52-R56 PolarHBondContact O-N 2.85Å; V52-L90 HydrophobicContact CG2-CG 4.36Å; V52-I93 HydrophobicContact CB-CG2 4.13Å; V52-I93 HydrophobicContact CG2-CG2 4.35Å; V52-Y125 HydrophobicContact CB-CE1 4.19Å; V52-Y125 HydrophobicContact CG1-CE1 4.13Å; V52-Y125 HydrophobicContact CG2-CE1 4.32Å; V52-Y128 HydrophobicContact CG1-CD2 3.99Å; V52-Y128 HydrophobicContact CG1-CE2 3.79Å; V52-Y128 HydrophobicContact CG2-CD2 3.9Å; V52-Y128 HydrophobicContact CG2-CG 4.48Å
53G96.6Very high96.2Very high23 Ų2338.7 Ų38.724%0.23722%0.215CC..Hα-helixtrans-59.9-43.4178.300000112.5K49 N50 R55 R56 S57K49-G53 WeakPolarHBondContact O-CA 3.4Å; K49-G53 PolarHBondContact O-N 2.8Å; N50-G53 PolarHBondContact O-N 2.99Å; G53-R55 PolarHBondContact O-N 2.9Å; G53-R56 PolarHBondContact O-N 3.42Å; G53-S57 WeakPolarHBondContact O-CB 3.3Å; G53-S57 PolarHBondContact O-N 2.95Å; G53-S57 PolarHBondContact O-OG 3.23Å
54A96.9Very high95.9Very high54 Ų5440.8 Ų40.845%0.44623%0.23SC..Hα-helixtrans-60.3-44.3175.600000112.1N50 V52 S57 A58N50-A54 PolarHBondContact O-N 3.19Å; V52-A54 PolarHBondContact O-N 2.83Å; A54-S57 PolarHBondContact O-N 2.94Å; A54-A58 WeakPolarHBondContact O-CB 3.47Å; A54-A58 PolarHBondContact O-N 3.43Å
55R97.3Very high95.6Very high55 Ų5544.2 Ų44.221%0.20825%0.248CC..Hα-helixtrans-69.8-39.2179.5-82.863.8174.8-164.8-8.6111.9D20 V51 V52 G53 A58 W59 V86 E89 L90 I93D20-R55 IonicContact OD1-CZ 2.9Å; D20-R55 IonicContact OD1-NH1 3.15Å; D20-R55 PolarHBondContact OD1-NH1 3.48Å; D20-R55 VanDerWaalsContact OD1-NH1 3.14Å; D20-R55 IonicContact OD1-NH2 3.26Å; D20-R55 PolarHBondContact OD1-NH2 3.48Å; D20-R55 IonicContact OD2-NH1 3.24Å; D20-R55 IonicContact OD2-NH2 3.59Å; V51-R55 WeakPolarHBondContact O-CD 3.23Å; V52-R55 PolarHBondContact O-N 3.49Å; G53-R55 PolarHBondContact O-N 2.9Å; R55-A58 PolarHBondContact O-N 3.14Å; R55-W59 WeakPolarHBondContact O-CB 3.34Å; R55-W59 PolarHBondContact O-N 3.36Å; R55-V86 WeakPolarHBondContact O-CG1 3.41Å; R55-E89 HydrophobicContact CG-CB 4.21Å; R55-E89 IonicContact NE-OE2 3.48Å; R55-L90 HydrophobicContact CB-CB 4.31Å; R55-I93 HydrophobicContact CG-CD1 3.96Å
56R96.9Very high95.1Very high32 Ų3244.1 Ų44.112%0.12125%0.252CS..Hα-helixtrans-60.7-45173.3-75.117870.1-137.66.5112V52 G53 W59 R60 L90 E131V52-R56 HydrophobicContact CG2-CG 4.4Å; V52-R56 WeakPolarHBondContact O-CG 3.35Å; V52-R56 PolarHBondContact O-N 2.85Å; G53-R56 PolarHBondContact O-N 3.42Å; R56-W59 PolarHBondContact O-N 3.31Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 2.87Å; R56-L90 HydrophobicContact CB-CD1 4.44Å; R56-L90 HydrophobicContact CG-CD1 3.53Å; R56-E131 IonicContact CZ-OE1 3.72Å; R56-E131 IonicContact CZ-OE2 2.69Å; R56-E131 VanDerWaalsContact CZ-OE2 3.28Å; R56-E131 IonicContact NE-OE1 2.73Å; R56-E131 IonicContact NE-OE2 3.44Å; R56-E131 PolarHBondContact NE-OE2 3.43Å; R56-E131 IonicContact NH2-OE1 2.91Å; R56-E131 PolarHBondContact NH2-OE1 2.86Å; R56-E131 IonicContact NH2-OE2 3.57Å; R56-E131 PolarHBondContact NH2-OE2 3.34Å
57S96.7Very high94.5Very high66 Ų6649.4 Ų49.446%0.46228%0.279SS..Hα-helixtrans-62.8-45.7176.4-67.50000111.8G53 A54 W59 R60 V61G53-S57 WeakPolarHBondContact O-CB 3.3Å; G53-S57 PolarHBondContact O-N 2.95Å; G53-S57 PolarHBondContact O-OG 3.23Å; A54-S57 PolarHBondContact O-N 2.94Å; S57-W59 VanDerWaalsContact C-N 3.32Å; S57-W59 PolarHBondContact O-N 2.74Å; S57-R60 PolarHBondContact O-N 3.32Å; S57-V61 WeakPolarHBondContact O-CG2 3.34Å; S57-V61 PolarHBondContact O-N 3.39Å; S57-V61 VanDerWaalsContact O-N 3.13Å
58A96.4Very high93.9Very high41 Ų4157.4 Ų57.434%0.33931%0.313SS..Hα-helixtrans-58.9-43.7174.500000111.8A54 R55 R60 V61 M62 V86A54-A58 WeakPolarHBondContact O-CB 3.47Å; A54-A58 PolarHBondContact O-N 3.43Å; R55-A58 PolarHBondContact O-N 3.14Å; A58-R60 PolarHBondContact O-N 3.46Å; A58-V61 PolarHBondContact O-N 2.95Å; A58-M62 WeakPolarHBondContact O-CG 3.36Å; A58-M62 PolarHBondContact O-N 3.36Å; A58-V86 HydrophobicContact CB-CG1 4.16Å
59W95.9Very high93Very high33 Ų3358.1 Ų58.113%0.12532%0.319CS..Hα-helixtrans-62.3-42.8178.418081.7000113R55 R56 S57 V61 M62 S63 V86 E87 E131 V132R55-W59 WeakPolarHBondContact O-CB 3.34Å; R55-W59 PolarHBondContact O-N 3.36Å; R56-W59 PolarHBondContact O-N 3.31Å; S57-W59 VanDerWaalsContact C-N 3.32Å; S57-W59 PolarHBondContact O-N 2.74Å; W59-V61 PolarHBondContact O-N 3.48Å; W59-M62 PolarHBondContact O-N 2.9Å; W59-S63 WeakPolarHBondContact O-CB 3.4Å; W59-S63 PolarHBondContact O-N 3.26Å; W59-S63 PolarHBondContact O-OG 3.15Å; W59-V86 HydrophobicContact CB-CG1 3.86Å; W59-E87 PolarHBondContact NE1-OE1 3.49Å; W59-E131 VanDerWaalsContact CH2-O 3.25Å; W59-E131 WeakPolarHBondContact CH2-O 3.29Å; W59-V132 HydrophobicContact CD2-CG1 3.77Å; W59-V132 HydrophobicContact CE3-CG1 4.29Å; W59-V132 HydrophobicContact CG-CG1 4.04Å; W59-V132 HydrophobicContact CH2-CG1 4.46Å; W59-V132 HydrophobicContact CZ2-CB 4.34Å; W59-V132 HydrophobicContact CZ2-CG1 3.97Å
60R94.3Very high92.1Very high112 Ų11260.7 Ų60.742%0.42333%0.333SS..Hα-helixtrans-60.9-44.2175.6-73.1-175.8-175117.5-2.7111.9R56 S57 A58 S63 S64R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 2.87Å; S57-R60 PolarHBondContact O-N 3.32Å; A58-R60 PolarHBondContact O-N 3.46Å; R60-S63 PolarHBondContact O-N 3.03Å; R60-S64 PolarHBondContact O-N 3.45Å
61V94.7Very high90.8Very high84 Ų8462.4 Ų62.451%0.50936%0.363SS..Hα-helixtrans-60.7-48.8176.7171.70000110.4S57 A58 W59 S63 S64 I65S57-V61 WeakPolarHBondContact O-CG2 3.34Å; S57-V61 PolarHBondContact O-N 3.39Å; S57-V61 VanDerWaalsContact O-N 3.13Å; A58-V61 PolarHBondContact O-N 2.95Å; W59-V61 PolarHBondContact O-N 3.48Å; V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3.21Å; V61-S64 PolarHBondContact O-N 3.42Å; V61-I65 HydrophobicContact CG1-CD1 3.83Å; V61-I65 WeakPolarHBondContact O-CG1 3.48Å; V61-I65 PolarHBondContact O-N 2.83Å
62M92.6Very high90.2Very high25 Ų2564.2 Ų64.212%0.12338%0.375CS..Hα-helixtrans-62.6-39.9179.1-70-51.8-51.700112.6A58 W59 I65 G66 V79 Y82 R83A58-M62 WeakPolarHBondContact O-CG 3.36Å; A58-M62 PolarHBondContact O-N 3.36Å; W59-M62 PolarHBondContact O-N 2.9Å; M62-I65 PolarHBondContact O-N 3.49Å; M62-I65 HydrophobicContact SD-CD1 4.41Å; M62-G66 PolarHBondContact O-N 2.63Å; M62-V79 HydrophobicContact CE-CB 4.35Å; M62-V79 HydrophobicContact CE-CG1 3.92Å; M62-V79 HydrophobicContact CE-CG2 4.44Å; M62-Y82 HydrophobicContact CE-CD1 3.84Å; M62-Y82 HydrophobicContact CE-CG 4.4Å; M62-Y82 HydrophobicContact CG-CD1 3.98Å; M62-Y82 HydrophobicContact CG-CE1 4.48Å; M62-Y82 HydrophobicContact SD-CD1 3.63Å; M62-Y82 HydrophobicContact SD-CE1 4.17Å; M62-R83 HydrophobicContact CB-CB 4.18Å; M62-R83 HydrophobicContact CB-CG 4.47Å
63S91Very high89.7Confident16 Ų1672.1 Ų72.111%0.11241%0.412CS..Hα-helixtrans-63.2-42.2175.4-63.80000111.8W59 R60 V61 G66 L67 R83W59-S63 WeakPolarHBondContact O-CB 3.4Å; W59-S63 PolarHBondContact O-N 3.26Å; W59-S63 PolarHBondContact O-OG 3.15Å; R60-S63 PolarHBondContact O-N 3.03Å; V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3.21Å; S63-G66 PolarHBondContact O-N 3.09Å; S63-L67 WeakPolarHBondContact O-CG 3.39Å; S63-L67 PolarHBondContact O-N 3.04Å; S63-R83 PolarHBondContact OG-NE 3.06Å; S63-R83 PolarHBondContact OG-NH1 3.05Å
64S92.1Very high89.4Confident53 Ų5378.8 Ų78.837%0.37144%0.435SS..Hα-helixtrans-65.4-40.7176.1-171.80000112.8R60 V61 G66 L67 K68R60-S64 PolarHBondContact O-N 3.45Å; V61-S64 PolarHBondContact O-N 3.42Å; S64-G66 VanDerWaalsContact C-N 3.33Å; S64-L67 PolarHBondContact O-N 2.83Å; S64-K68 PolarHBondContact O-N 2.93Å
65I90.5Very high89Confident74 Ų7482.6 Ų82.638%0.37944%0.441SS..Hα-helixtrans-63.4-41.7175-67.5168000110.4V61 M62 L67 K68 T69 V79V61-I65 HydrophobicContact CG1-CD1 3.83Å; V61-I65 WeakPolarHBondContact O-CG1 3.48Å; V61-I65 PolarHBondContact O-N 2.83Å; M62-I65 PolarHBondContact O-N 3.49Å; M62-I65 HydrophobicContact SD-CD1 4.41Å; I65-L67 VanDerWaalsContact C-N 3.31Å; I65-L67 PolarHBondContact O-N 2.9Å; I65-K68 PolarHBondContact O-N 2.75Å; I65-K68 VanDerWaalsContact O-N 3.16Å; I65-T69 PolarHBondContact O-N 3.38Å; I65-T69 VanDerWaalsContact O-N 3.12Å; I65-T69 PolarHBondContact O-OG1 3.44Å; I65-V79 HydrophobicContact CG2-CG1 4.34Å; I65-V79 HydrophobicContact CG2-CG2 3.85Å
66G86.2Confident88.6Confident34 Ų3484.1 Ų84.135%0.35145%0.451SS..Hα-helixtrans-58-41.3177.600000113.2M62 S63 S64 K68M62-G66 PolarHBondContact O-N 2.63Å; S63-G66 PolarHBondContact O-N 3.09Å; S64-G66 VanDerWaalsContact C-N 3.33Å; G66-K68 VanDerWaalsContact C-N 3.32Å; G66-K68 PolarHBondContact O-N 3.1Å
67L83.8Confident88.4Confident150 Ų15086.8 Ų86.879%0.78547%0.465SS*.Hα-helixtrans-67-30.7177.5-68.1171.9000113.5S63 S64 I65S63-L67 WeakPolarHBondContact O-CG 3.39Å; S63-L67 PolarHBondContact O-N 3.04Å; S64-L67 PolarHBondContact O-N 2.83Å; I65-L67 VanDerWaalsContact C-N 3.31Å; I65-L67 PolarHBondContact O-N 2.9Å
68K85.5Confident88.2Confident167 Ų16789.1 Ų89.173%0.72647%0.469SS*.Hα-helixtrans-91.2-9.3-176.9-66.6176.6-179.11760113.8S64 I65 G66 E70S64-K68 PolarHBondContact O-N 2.93Å; I65-K68 PolarHBondContact O-N 2.75Å; I65-K68 VanDerWaalsContact O-N 3.16Å; G66-K68 VanDerWaalsContact C-N 3.32Å; G66-K68 PolarHBondContact O-N 3.1Å; K68-E70 PolarHBondContact O-N 3.07Å
69T79.3Confident88Confident26 Ų2688.2 Ų88.216%0.1646%0.46CS..  trans-85.991.9-174.6-58.20000110I65 K75 Q76I65-T69 PolarHBondContact O-N 3.38Å; I65-T69 VanDerWaalsContact O-N 3.12Å; I65-T69 PolarHBondContact O-OG1 3.44Å; T69-K75 HydrophobicContact CG2-CB 3.8Å; T69-Q76 HydrophobicContact CG2-CG 3.81Å; T69-Q76 WeakPolarHBondContact O-CG 3.41Å; T69-Q76 PolarHBondContact O-NE2 3.49Å
70E75.3Confident87.8Confident173 Ų17391.9 Ų91.981%0.80848%0.477SS*.  trans-100.4152.4171.8-66.1-174.6179.500112.3K68 S72K68-E70 PolarHBondContact O-N 3.07Å; E70-S72 PolarHBondContact O-N 3.45Å
71G71.6Confident87.9Confident86 Ų8691.5 Ų91.589%0.88748%0.479SS*.SBendtrans80.7-0163.900000117.8
72S83.9Confident87.9Confident44 Ų4493.8 Ų93.831%0.30848%0.48SS..  trans-137.6100174.3-175.60000112.2E70 K74 K75 Q76E70-S72 PolarHBondContact O-N 3.45Å; S72-K74 PolarHBondContact O-N 3.43Å; S72-K75 PolarHBondContact O-N 2.89Å; S72-Q76 PolarHBondContact O-N 3.26Å
73E86.8Confident88Confident167 Ų16796.7 Ų96.778%0.7849%0.489SS*.Hα-helixtrans-53.1-40.3178.4-69-179.3168.800112.4K75 Q76 Q77E73-K75 PolarHBondContact O-N 3.21Å; E73-Q76 PolarHBondContact O-N 3.47Å; E73-Q77 WeakPolarHBondContact O-CB 3.29Å; E73-Q77 PolarHBondContact O-N 3.06Å
74K89.8Confident88.2Confident163 Ų163100.4 Ų100.471%0.70951%0.505SS*.Hα-helixtrans-62-42.6177.8-173.5176.3179.8178.60112.5S72 M78S72-K74 PolarHBondContact O-N 3.43Å; K74-M78 WeakPolarHBondContact O-CG 3.28Å; K74-M78 PolarHBondContact O-N 3.41Å; K74-M78 VanDerWaalsContact O-N 3.11Å
75K88.4Confident88.4Confident134 Ų134103.5 Ų103.558%0.58351%0.512SS*.Hα-helixtrans-69-41177.8-71.6-176.5178.6179.80111.3T69 S72 E73 Q77 M78 V79T69-K75 HydrophobicContact CG2-CB 3.8Å; S72-K75 PolarHBondContact O-N 2.89Å; E73-K75 PolarHBondContact O-N 3.21Å; K75-Q77 VanDerWaalsContact C-N 3.32Å; K75-Q77 PolarHBondContact O-N 3.04Å; K75-M78 PolarHBondContact O-N 3.46Å; K75-V79 WeakPolarHBondContact O-CG2 3.49Å; K75-V79 PolarHBondContact O-N 3.08Å
76Q89.1Confident88.7Confident86 Ų86100.3 Ų100.340%0.40250%0.496SS..Hα-helixtrans-59.5-44.4176.2-70.4176.9-14.400111.3T69 S72 E73 V79 K80T69-Q76 HydrophobicContact CG2-CG 3.81Å; T69-Q76 WeakPolarHBondContact O-CG 3.41Å; T69-Q76 PolarHBondContact O-NE2 3.49Å; S72-Q76 PolarHBondContact O-N 3.26Å; E73-Q76 PolarHBondContact O-N 3.47Å; Q76-V79 PolarHBondContact O-N 3.38Å; Q76-K80 WeakPolarHBondContact O-CB 3.31Å; Q76-K80 PolarHBondContact O-N 2.94Å
77Q92.3Very high89.1Confident89 Ų89100.5 Ų100.542%0.41649%0.487SS..Hα-helixtrans-62.5-45.9177-174.658.828.200112.1E73 K75 V79 K80 E81E73-Q77 WeakPolarHBondContact O-CB 3.29Å; E73-Q77 PolarHBondContact O-N 3.06Å; K75-Q77 VanDerWaalsContact C-N 3.32Å; K75-Q77 PolarHBondContact O-N 3.04Å; Q77-V79 VanDerWaalsContact C-N 3.34Å; Q77-V79 PolarHBondContact O-N 2.95Å; Q77-K80 PolarHBondContact O-N 2.78Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.49Å; Q77-E81 PolarHBondContact NE2-OE1 3.12Å; Q77-E81 WeakPolarHBondContact O-CG 3.42Å; Q77-E81 PolarHBondContact O-N 3.02Å
78M92.7Very high89.7Confident114 Ų11498 Ų9856%0.56247%0.47SS*.Hα-helixtrans-60.6-41.7176.9-71.2176.467.500112.7K74 K75 Y82K74-M78 WeakPolarHBondContact O-CG 3.28Å; K74-M78 PolarHBondContact O-N 3.41Å; K74-M78 VanDerWaalsContact O-N 3.11Å; K75-M78 PolarHBondContact O-N 3.46Å; M78-Y82 WeakPolarHBondContact O-CB 3.4Å; M78-Y82 PolarHBondContact O-N 3.4Å; M78-Y82 VanDerWaalsContact O-N 3.08Å
79V92.8Very high90.3Very high22 Ų2293.3 Ų93.313%0.13345%0.451CS..Hα-helixtrans-65.2-42.5177.8167.90000110.8M62 I65 K75 Q76 Q77 R83M62-V79 HydrophobicContact CE-CB 4.35Å; M62-V79 HydrophobicContact CE-CG1 3.92Å; M62-V79 HydrophobicContact CE-CG2 4.44Å; I65-V79 HydrophobicContact CG2-CG1 4.34Å; I65-V79 HydrophobicContact CG2-CG2 3.85Å; K75-V79 WeakPolarHBondContact O-CG2 3.49Å; K75-V79 PolarHBondContact O-N 3.08Å; Q76-V79 PolarHBondContact O-N 3.38Å; Q77-V79 VanDerWaalsContact C-N 3.34Å; Q77-V79 PolarHBondContact O-N 2.95Å; V79-R83 VanDerWaalsContact O-CB 3.27Å; V79-R83 WeakPolarHBondContact O-CB 3.46Å; V79-R83 PolarHBondContact O-N 3.3Å
80K92Very high91.1Very high111 Ų11192 Ų9248%0.48344%0.443SS..Hα-helixtrans-61.2-51.9176.7-177.7-177.6170.8-175.50111.6Q76 Q77 Y82 R83 E84Q76-K80 WeakPolarHBondContact O-CB 3.31Å; Q76-K80 PolarHBondContact O-N 2.94Å; Q77-K80 PolarHBondContact O-N 2.78Å; K80-Y82 VanDerWaalsContact C-N 3.31Å; K80-Y82 PolarHBondContact O-N 3.01Å; K80-R83 WeakPolarHBondContact O-CB 3.29Å; K80-R83 PolarHBondContact O-N 3.22Å; K80-E84 WeakPolarHBondContact CE-OE1 3.27Å; K80-E84 IonicContact NZ-OE1 3.93Å; K80-E84 WeakPolarHBondContact O-CG 3.48Å; K80-E84 PolarHBondContact O-N 2.91Å
81E94.8Very high92.1Very high103 Ų10387.4 Ų87.448%0.48142%0.422SS..Hα-helixtrans-59.1-42.7179.8-73.1170.9-172.400112Q77 E84 K85Q77-E81 WeakPolarHBondContact CG-OE1 3.49Å; Q77-E81 PolarHBondContact NE2-OE1 3.12Å; Q77-E81 WeakPolarHBondContact O-CG 3.42Å; Q77-E81 PolarHBondContact O-N 3.02Å; E81-E84 PolarHBondContact O-N 3.38Å; E81-K85 PolarHBondContact O-N 2.85Å
82Y95.6Very high93.3Very high132 Ų13286.6 Ų86.652%0.51840%0.397SS..Hα-helixtrans-70.2-36179.2-161.2-99.5000112.1M62 M78 K80 K85 V86M62-Y82 HydrophobicContact CE-CD1 3.84Å; M62-Y82 HydrophobicContact CE-CG 4.4Å; M62-Y82 HydrophobicContact CG-CD1 3.98Å; M62-Y82 HydrophobicContact CG-CE1 4.48Å; M62-Y82 HydrophobicContact SD-CD1 3.63Å; M62-Y82 HydrophobicContact SD-CE1 4.17Å; M78-Y82 WeakPolarHBondContact O-CB 3.4Å; M78-Y82 PolarHBondContact O-N 3.4Å; M78-Y82 VanDerWaalsContact O-N 3.08Å; K80-Y82 VanDerWaalsContact C-N 3.31Å; K80-Y82 PolarHBondContact O-N 3.01Å; Y82-K85 WeakPolarHBondContact O-CB 3.32Å; Y82-K85 PolarHBondContact O-N 3.16Å; Y82-V86 HydrophobicContact CD1-CG2 4.4Å; Y82-V86 HydrophobicContact CE1-CG2 4.25Å; Y82-V86 WeakPolarHBondContact O-CG2 3.42Å; Y82-V86 PolarHBondContact O-N 2.89Å; Y82-V86 VanDerWaalsContact O-N 3.16Å
83R94.5Very high93.9Very high86 Ų8685.5 Ų85.533%0.32539%0.387SS..Hα-helixtrans-61.9-48.9172.6178.1-177.7161.7166.82.1111.1M62 S63 V79 K80 K85 V86 E87M62-R83 HydrophobicContact CB-CB 4.18Å; M62-R83 HydrophobicContact CB-CG 4.47Å; S63-R83 PolarHBondContact OG-NE 3.06Å; S63-R83 PolarHBondContact OG-NH1 3.05Å; V79-R83 VanDerWaalsContact O-CB 3.27Å; V79-R83 WeakPolarHBondContact O-CB 3.46Å; V79-R83 PolarHBondContact O-N 3.3Å; K80-R83 WeakPolarHBondContact O-CB 3.29Å; K80-R83 PolarHBondContact O-N 3.22Å; R83-K85 VanDerWaalsContact C-N 3.25Å; R83-K85 PolarHBondContact O-N 2.99Å; R83-V86 PolarHBondContact O-N 2.78Å; R83-E87 HydrophobicContact CG-CG 4.41Å; R83-E87 IonicContact CZ-OE1 3.34Å; R83-E87 IonicContact NE-OE1 2.74Å; R83-E87 PolarHBondContact NE-OE1 3.32Å; R83-E87 IonicContact NH2-OE1 3.63Å; R83-E87 PolarHBondContact NH2-OE1 3.36Å; R83-E87 WeakPolarHBondContact O-CG 3.47Å; R83-E87 PolarHBondContact O-N 3.23Å
84E94.4Very high94.5Very high95 Ų9577.5 Ų77.544%0.44435%0.35SS..Hα-helixtrans-59.6-36.4178.3-73.3173.3175.200111.8K80 E81 E87 K88K80-E84 WeakPolarHBondContact CE-OE1 3.27Å; K80-E84 IonicContact NZ-OE1 3.93Å; K80-E84 WeakPolarHBondContact O-CG 3.48Å; K80-E84 PolarHBondContact O-N 2.91Å; E81-E84 PolarHBondContact O-N 3.38Å; E84-E87 PolarHBondContact O-N 3.45Å; E84-K88 WeakPolarHBondContact O-CB 3.47Å; E84-K88 PolarHBondContact O-N 3.44Å
85K96.6Very high94.8Very high117 Ų11772.2 Ų72.251%0.50933%0.329SS..Hα-helixtrans-60.3-47.8171.9-177.4-177.7174.6-173.80112.1E81 Y82 R83 E87 K88 E89E81-K85 PolarHBondContact O-N 2.85Å; Y82-K85 WeakPolarHBondContact O-CB 3.32Å; Y82-K85 PolarHBondContact O-N 3.16Å; R83-K85 VanDerWaalsContact C-N 3.25Å; R83-K85 PolarHBondContact O-N 2.99Å; K85-E87 VanDerWaalsContact C-N 3.34Å; K85-K88 PolarHBondContact O-N 3.09Å; K85-E89 VanDerWaalsContact CE-OE1 3.31Å; K85-E89 WeakPolarHBondContact CE-OE1 3.49Å; K85-E89 WeakPolarHBondContact O-CG 3.41Å; K85-E89 PolarHBondContact O-N 2.89Å
86V96.6Very high95.2Very high7 Ų768.9 Ų68.94%0.04232%0.318CS..Hα-helixtrans-65.4-38.6178.5177.90000111.2R55 A58 W59 Y82 R83 K88 E89 L90R55-V86 WeakPolarHBondContact O-CG1 3.41Å; A58-V86 HydrophobicContact CB-CG1 4.16Å; W59-V86 HydrophobicContact CB-CG1 3.86Å; Y82-V86 HydrophobicContact CD1-CG2 4.4Å; Y82-V86 HydrophobicContact CE1-CG2 4.25Å; Y82-V86 WeakPolarHBondContact O-CG2 3.42Å; Y82-V86 PolarHBondContact O-N 2.89Å; Y82-V86 VanDerWaalsContact O-N 3.16Å; R83-V86 PolarHBondContact O-N 2.78Å; V86-K88 VanDerWaalsContact C-N 3.32Å; V86-K88 PolarHBondContact O-N 3.4Å; V86-E89 PolarHBondContact O-N 3.4Å; V86-L90 WeakPolarHBondContact O-CB 3.29Å; V86-L90 PolarHBondContact O-N 3.41Å
87E95.7Very high95.6Very high38 Ų3864.9 Ų64.918%0.17830%0.3CS..Hα-helixtrans-58.9-44.9174.1-70.9175.6175.300111W59 R83 E84 K85 L90 E91 V132W59-E87 PolarHBondContact NE1-OE1 3.49Å; R83-E87 HydrophobicContact CG-CG 4.41Å; R83-E87 IonicContact CZ-OE1 3.34Å; R83-E87 IonicContact NE-OE1 2.74Å; R83-E87 PolarHBondContact NE-OE1 3.32Å; R83-E87 IonicContact NH2-OE1 3.63Å; R83-E87 PolarHBondContact NH2-OE1 3.36Å; R83-E87 WeakPolarHBondContact O-CG 3.47Å; R83-E87 PolarHBondContact O-N 3.23Å; E84-E87 PolarHBondContact O-N 3.45Å; K85-E87 VanDerWaalsContact C-N 3.34Å; E87-L90 PolarHBondContact O-N 2.98Å; E87-E91 WeakPolarHBondContact O-CB 3.39Å; E87-E91 PolarHBondContact O-N 3.33Å; E87-V132 HydrophobicContact CG-CB 4.16Å; E87-V132 HydrophobicContact CG-CG1 4.44Å
88K96.3Very high95.9Very high98 Ų9861 Ų6143%0.42628%0.282SS..Hα-helixtrans-63.3-44.2177.9-172.969-153.31390112.5E84 K85 V86 L90 E91 D92E84-K88 WeakPolarHBondContact O-CB 3.47Å; E84-K88 PolarHBondContact O-N 3.44Å; K85-K88 PolarHBondContact O-N 3.09Å; V86-K88 VanDerWaalsContact C-N 3.32Å; V86-K88 PolarHBondContact O-N 3.4Å; K88-L90 VanDerWaalsContact C-N 3.35Å; K88-L90 PolarHBondContact O-N 2.99Å; K88-E91 IonicContact NZ-OE2 2.81Å; K88-E91 PolarHBondContact NZ-OE2 3.38Å; K88-E91 PolarHBondContact O-N 3.04Å; K88-D92 WeakPolarHBondContact CE-OD1 3.07Å; K88-D92 WeakPolarHBondContact CE-OD2 3.2Å; K88-D92 IonicContact NZ-OD1 2.79Å; K88-D92 PolarHBondContact NZ-OD1 3.43Å; K88-D92 IonicContact NZ-OD2 3.98Å; K88-D92 WeakPolarHBondContact O-CB 3.44Å; K88-D92 VanDerWaalsContact O-CG 3.26Å; K88-D92 PolarHBondContact O-N 3.33Å
89E97.2Very high96.2Very high68 Ų6861.5 Ų61.532%0.31828%0.281SS..Hα-helixtrans-60.1-45.1175.4-70.7177.1-16000111.6R55 K85 V86 D92 I93R55-E89 HydrophobicContact CG-CB 4.21Å; R55-E89 IonicContact NE-OE2 3.48Å; K85-E89 VanDerWaalsContact CE-OE1 3.31Å; K85-E89 WeakPolarHBondContact CE-OE1 3.49Å; K85-E89 WeakPolarHBondContact O-CG 3.41Å; K85-E89 PolarHBondContact O-N 2.89Å; V86-E89 PolarHBondContact O-N 3.4Å; E89-D92 PolarHBondContact O-N 2.9Å; E89-I93 VanDerWaalsContact O-CD1 3.3Å; E89-I93 WeakPolarHBondContact O-CD1 3.39Å; E89-I93 VanDerWaalsContact O-CG1 3.23Å; E89-I93 WeakPolarHBondContact O-CG1 3.4Å; E89-I93 PolarHBondContact O-N 3.05Å
90L96.7Very high96.4Very high0 Ų060.7 Ų60.70%028%0.275CS..Hα-helixtrans-61.6-45.2176.8-173.7156.8000111.2V52 R55 R56 V86 E87 K88 D92 I93 C94 V132V52-L90 HydrophobicContact CG2-CG 4.36Å; R55-L90 HydrophobicContact CB-CB 4.31Å; R56-L90 HydrophobicContact CB-CD1 4.44Å; R56-L90 HydrophobicContact CG-CD1 3.53Å; V86-L90 WeakPolarHBondContact O-CB 3.29Å; V86-L90 PolarHBondContact O-N 3.41Å; E87-L90 PolarHBondContact O-N 2.98Å; K88-L90 VanDerWaalsContact C-N 3.35Å; K88-L90 PolarHBondContact O-N 2.99Å; L90-D92 PolarHBondContact O-N 3.5Å; L90-I93 PolarHBondContact O-N 3.05Å; L90-C94 WeakPolarHBondContact O-CB 3.35Å; L90-C94 PolarHBondContact O-N 3.45Å; L90-C94 PolarHBondContact O-SG 3.47Å; L90-V132 HydrophobicContact CD1-CG1 3.92Å; L90-V132 HydrophobicContact CD2-CG1 4.29Å; L90-V132 HydrophobicContact CD2-CG2 3.94Å
91E96.3Very high96.7Very high75 Ų7555.4 Ų55.435%0.3525%0.252SS..Hα-helixtrans-59.1-46.6178.5-164.8-157.5168.500111.3E87 K88 C94 N95 L129E87-E91 WeakPolarHBondContact O-CB 3.39Å; E87-E91 PolarHBondContact O-N 3.33Å; K88-E91 IonicContact NZ-OE2 2.81Å; K88-E91 PolarHBondContact NZ-OE2 3.38Å; K88-E91 PolarHBondContact O-N 3.04Å; E91-C94 PolarHBondContact O-N 2.97Å; E91-N95 WeakPolarHBondContact O-CB 3.35Å; E91-N95 VanDerWaalsContact O-CG 3.31Å; E91-N95 PolarHBondContact O-N 3Å; E91-N95 PolarHBondContact O-ND2 3.13Å; E91-L129 HydrophobicContact CB-CD2 4.19Å; E91-L129 HydrophobicContact CG-CD2 3.79Å
92D96.9Very high96.8Very high69 Ų6953 Ų5337%0.36924%0.243SC..Hα-helixtrans-66-41.4-179.6-68.6-18.9000111.6K88 E89 L90 N95 N96K88-D92 WeakPolarHBondContact CE-OD1 3.07Å; K88-D92 WeakPolarHBondContact CE-OD2 3.2Å; K88-D92 IonicContact NZ-OD1 2.79Å; K88-D92 PolarHBondContact NZ-OD1 3.43Å; K88-D92 IonicContact NZ-OD2 3.98Å; K88-D92 WeakPolarHBondContact O-CB 3.44Å; K88-D92 VanDerWaalsContact O-CG 3.26Å; K88-D92 PolarHBondContact O-N 3.33Å; E89-D92 PolarHBondContact O-N 2.9Å; L90-D92 PolarHBondContact O-N 3.5Å; D92-N95 PolarHBondContact O-N 3.17Å; D92-N96 WeakPolarHBondContact O-CB 3.26Å; D92-N96 PolarHBondContact O-N 2.83Å; D92-N96 PolarHBondContact O-ND2 2.87Å
93I97.4Very high96.8Very high21 Ų2151.6 Ų51.611%0.10824%0.244CC..Hα-helixtrans-59.1-49.1173.4-68.4157.2000110.4Y48 V51 V52 R55 E89 L90 N96 V97Y48-I93 HydrophobicContact CD1-CG2 4.33Å; V51-I93 HydrophobicContact CG1-CD1 3.64Å; V51-I93 HydrophobicContact CG1-CG1 3.99Å; V51-I93 HydrophobicContact CG1-CG2 4.14Å; V52-I93 HydrophobicContact CB-CG2 4.13Å; V52-I93 HydrophobicContact CG2-CG2 4.35Å; R55-I93 HydrophobicContact CG-CD1 3.96Å; E89-I93 VanDerWaalsContact O-CD1 3.3Å; E89-I93 WeakPolarHBondContact O-CD1 3.39Å; E89-I93 VanDerWaalsContact O-CG1 3.23Å; E89-I93 WeakPolarHBondContact O-CG1 3.4Å; E89-I93 PolarHBondContact O-N 3.05Å; L90-I93 PolarHBondContact O-N 3.05Å; I93-N96 PolarHBondContact O-N 3.49Å; I93-V97 PolarHBondContact O-N 3.17Å; I93-V97 VanDerWaalsContact O-N 3.14Å
94C97.8Very high96.8Very high0 Ų051.1 Ų51.10%024%0.243CC..Hα-helixtrans-64.1-45.1-178.3-64.80000111.6L90 E91 N96 V97 L98 Y125 L129L90-C94 WeakPolarHBondContact O-CB 3.35Å; L90-C94 PolarHBondContact O-N 3.45Å; L90-C94 PolarHBondContact O-SG 3.47Å; E91-C94 PolarHBondContact O-N 2.97Å; C94-N96 VanDerWaalsContact C-N 3.3Å; C94-N96 PolarHBondContact O-N 3.32Å; C94-V97 PolarHBondContact O-N 3.02Å; C94-L98 WeakPolarHBondContact O-CB 3.37Å; C94-L98 VanDerWaalsContact O-CG 3.25Å; C94-L98 WeakPolarHBondContact O-CG 3.5Å; C94-L98 PolarHBondContact O-N 3.15Å; C94-Y125 HydrophobicContact CB-CD1 4.03Å; C94-L129 HydrophobicContact CB-CD1 4Å; C94-L129 HydrophobicContact CB-CD2 3.64Å; C94-L129 HydrophobicContact CB-CG 3.59Å
95N97.2Very high96.9Very high51 Ų5146.9 Ų46.927%0.27322%0.224SC..Hα-helixtrans-63-35.5178-76.6-33.5000112.5E91 D92 K99E91-N95 WeakPolarHBondContact O-CB 3.35Å; E91-N95 VanDerWaalsContact O-CG 3.31Å; E91-N95 PolarHBondContact O-N 3Å; E91-N95 PolarHBondContact O-ND2 3.13Å; D92-N95 PolarHBondContact O-N 3.17Å; N95-K99 VanDerWaalsContact O-CG 3.25Å; N95-K99 WeakPolarHBondContact O-CG 3.49Å; N95-K99 PolarHBondContact O-N 3.08Å
96N96.7Very high96.8Very high65 Ų6542.6 Ų42.635%0.34821%0.206SC..Hα-helixtrans-63.8-46.4174.5-73-21000111.4D92 I93 C94 K99 L100D92-N96 WeakPolarHBondContact O-CB 3.26Å; D92-N96 PolarHBondContact O-N 2.83Å; D92-N96 PolarHBondContact O-ND2 2.87Å; I93-N96 PolarHBondContact O-N 3.49Å; C94-N96 VanDerWaalsContact C-N 3.3Å; C94-N96 PolarHBondContact O-N 3.32Å; N96-K99 PolarHBondContact O-N 2.85Å; N96-L100 WeakPolarHBondContact O-CG 3.42Å; N96-L100 PolarHBondContact O-N 2.95Å; N96-L100 VanDerWaalsContact O-N 3.1Å
97V97.9Very high96.6Very high2 Ų247.3 Ų47.31%0.01224%0.235CC..Hα-helixtrans-64.2-43.9177176.50000111.7Y48 I93 C94 K99 L100 L101 M121 Y125Y48-V97 HydrophobicContact CD1-CG2 3.27Å; Y48-V97 HydrophobicContact CD2-CG2 3.87Å; Y48-V97 HydrophobicContact CE1-CG2 3.51Å; Y48-V97 HydrophobicContact CE2-CG2 4.08Å; Y48-V97 HydrophobicContact CG-CG2 3.46Å; Y48-V97 VanDerWaalsContact CG-CG2 3.46Å; I93-V97 PolarHBondContact O-N 3.17Å; I93-V97 VanDerWaalsContact O-N 3.14Å; C94-V97 PolarHBondContact O-N 3.02Å; V97-K99 VanDerWaalsContact C-N 3.28Å; V97-K99 PolarHBondContact O-N 2.74Å; V97-L100 WeakPolarHBondContact O-CB 3.43Å; V97-L100 PolarHBondContact O-N 3.45Å; V97-L100 VanDerWaalsContact O-N 3.1Å; V97-L101 HydrophobicContact CG1-CD1 3.77Å; V97-L101 HydrophobicContact CG1-CG 4.18Å; V97-L101 VanDerWaalsContact O-CG 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.45Å; V97-L101 PolarHBondContact O-N 2.85Å; V97-M121 HydrophobicContact CG1-CE 3.88Å; V97-Y125 HydrophobicContact CB-CD1 4Å; V97-Y125 HydrophobicContact CB-CD2 4.14Å; V97-Y125 HydrophobicContact CB-CE1 4.04Å; V97-Y125 HydrophobicContact CB-CE2 4.26Å; V97-Y125 HydrophobicContact CB-CG 4.06Å; V97-Y125 HydrophobicContact CG1-CD1 4.23Å; V97-Y125 HydrophobicContact CG1-CD2 3.46Å; V97-Y125 VanDerWaalsContact CG1-CD2 3.46Å; V97-Y125 HydrophobicContact CG1-CE1 4.24Å; V97-Y125 HydrophobicContact CG1-CE2 3.54Å; V97-Y125 HydrophobicContact CG1-CG 3.88Å; V97-Y125 HydrophobicContact CG2-CD1 4.22Å; V97-Y125 HydrophobicContact CG2-CE1 3.77Å; V97-Y125 HydrophobicContact CG2-CE2 4.37Å
98L98.1Very high96.2Very high8 Ų849 Ų494%0.04225%0.245CC..Hα-helixtrans-59.6-39.6178-70.5171.3000111.9C94 L101 D102 K122 Y126 L129C94-L98 WeakPolarHBondContact O-CB 3.37Å; C94-L98 VanDerWaalsContact O-CG 3.25Å; C94-L98 WeakPolarHBondContact O-CG 3.5Å; C94-L98 PolarHBondContact O-N 3.15Å; L98-L101 PolarHBondContact O-N 3.3Å; L98-D102 WeakPolarHBondContact O-CB 3.49Å; L98-D102 PolarHBondContact O-N 3.15Å; L98-K122 HydrophobicContact CD2-CG 3.81Å; L98-Y126 HydrophobicContact CD1-CD1 3.88Å; L98-Y126 HydrophobicContact CD1-CD2 4.48Å; L98-Y126 HydrophobicContact CD1-CE1 3.58Å; L98-Y126 HydrophobicContact CD1-CE2 4.21Å; L98-Y126 HydrophobicContact CD1-CG 4.31Å; L98-Y126 HydrophobicContact CD2-CD2 3.74Å; L98-Y126 HydrophobicContact CD2-CE1 4.43Å; L98-Y126 HydrophobicContact CD2-CE2 3.54Å; L98-Y126 HydrophobicContact CD2-CG 4.25Å; L98-Y126 HydrophobicContact CG-CE2 4.5Å; L98-L129 HydrophobicContact CD1-CD1 3.68Å
99K97.8Very high95.9Very high124 Ų12445 Ų4554%0.53923%0.229SC..Hα-helixtrans-63.2-42.3173.3-73.6169.4-174.7173.10112.3N95 N96 V97 L101 N103N95-K99 VanDerWaalsContact O-CG 3.25Å; N95-K99 WeakPolarHBondContact O-CG 3.49Å; N95-K99 PolarHBondContact O-N 3.08Å; N96-K99 PolarHBondContact O-N 2.85Å; V97-K99 VanDerWaalsContact C-N 3.28Å; V97-K99 PolarHBondContact O-N 2.74Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-N103 VanDerWaalsContact O-CB 3.24Å; K99-N103 WeakPolarHBondContact O-CB 3.35Å; K99-N103 PolarHBondContact O-N 3.07Å; K99-N103 PolarHBondContact O-ND2 3.36Å
100L97.7Very high95.4Very high4 Ų450.7 Ų50.72%0.02125%0.253CS..Hα-helixtrans-62.5-43.3176.5-67170.9000111.3R27 T30 E31 Y48 N96 V97 Y104 L105R27-L100 HydrophobicContact CB-CD1 4.3Å; R27-L100 HydrophobicContact CG-CD1 4.11Å; R27-L100 HydrophobicContact CG-CD2 4Å; T30-L100 HydrophobicContact CG2-CB 4.2Å; T30-L100 HydrophobicContact CG2-CD2 3.86Å; E31-L100 HydrophobicContact CG-CD2 3.79Å; Y48-L100 HydrophobicContact CE2-CD1 3.97Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.45Å; N96-L100 WeakPolarHBondContact O-CG 3.42Å; N96-L100 PolarHBondContact O-N 2.95Å; N96-L100 VanDerWaalsContact O-N 3.1Å; V97-L100 WeakPolarHBondContact O-CB 3.43Å; V97-L100 PolarHBondContact O-N 3.45Å; V97-L100 VanDerWaalsContact O-N 3.1Å; L100-Y104 HydrophobicContact CD2-CD2 4.21Å; L100-Y104 HydrophobicContact CD2-CE2 4.44Å; L100-Y104 WeakPolarHBondContact O-CB 3.26Å; L100-Y104 PolarHBondContact O-N 3.38Å; L100-L105 HydrophobicContact CB-CD1 4.47Å; L100-L105 PolarHBondContact O-N 3.01Å; L100-L105 VanDerWaalsContact O-N 3.1Å
101L97.8Very high95.1Very high0 Ų053.7 Ų53.70%027%0.269CS..Iπ-helixtrans-61.3-49178.6-70.8167.7000111.7V97 L98 K99 L105 I106 Y118 M121 K122V97-L101 HydrophobicContact CG1-CD1 3.77Å; V97-L101 HydrophobicContact CG1-CG 4.18Å; V97-L101 VanDerWaalsContact O-CG 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.45Å; V97-L101 PolarHBondContact O-N 2.85Å; L98-L101 PolarHBondContact O-N 3.3Å; K99-L101 VanDerWaalsContact C-N 3.33Å; L101-L105 HydrophobicContact CD2-CB 4.37Å; L101-L105 HydrophobicContact CD2-CD1 3.86Å; L101-L105 HydrophobicContact CG-CD1 4.46Å; L101-L105 PolarHBondContact O-N 3.27Å; L101-I106 HydrophobicContact CB-CD1 3.99Å; L101-I106 HydrophobicContact CB-CG1 4.4Å; L101-I106 WeakPolarHBondContact O-CB 3.5Å; L101-I106 WeakPolarHBondContact O-CG1 3.38Å; L101-I106 PolarHBondContact O-N 3.41Å; L101-Y118 HydrophobicContact CD2-CD1 3.86Å; L101-Y118 HydrophobicContact CD2-CG 4.18Å; L101-M121 HydrophobicContact CD1-CB 4.26Å; L101-M121 HydrophobicContact CD1-CG 4.2Å; L101-M121 HydrophobicContact CD2-CB 4.26Å; L101-M121 HydrophobicContact CD2-CG 4.43Å; L101-M121 HydrophobicContact CD2-SD 4.17Å; L101-K122 HydrophobicContact CD1-CB 3.92Å
102D96.8Very high94.9Very high53 Ų5352.2 Ų52.228%0.28327%0.266SS..Iπ-helixtrans-74.4-42.2-175.1-73.1-14.7000112.6L98 T107 K122L98-D102 WeakPolarHBondContact O-CB 3.49Å; L98-D102 PolarHBondContact O-N 3.15Å; D102-T107 PolarHBondContact O-OG1 3.28Å; D102-K122 VanDerWaalsContact CG-NZ 3.32Å; D102-K122 VanDerWaalsContact OD1-CE 3.28Å; D102-K122 WeakPolarHBondContact OD1-CE 3.39Å; D102-K122 IonicContact OD1-NZ 2.83Å; D102-K122 PolarHBondContact OD1-NZ 3.21Å; D102-K122 IonicContact OD2-NZ 2.83Å; D102-K122 PolarHBondContact OD2-NZ 3.45Å
103N95.9Very high94.8Very high102 Ų10252 Ų5255%0.54526%0.263SS..Iπ-helixtrans-85.1-29-172.8-63.6-17.2000113.5K99K99-N103 VanDerWaalsContact O-CB 3.24Å; K99-N103 WeakPolarHBondContact O-CB 3.35Å; K99-N103 PolarHBondContact O-N 3.07Å; K99-N103 PolarHBondContact O-ND2 3.36Å
104Y95.8Very high94.6Very high76 Ų7651.3 Ų51.330%0.29826%0.26SS..Iπ-helixtrans-125.9-41-169.7-58.5-87.2000114T30 E31 L100 N108T30-Y104 HydrophobicContact CG2-CG 4.31Å; E31-Y104 HydrophobicContact CB-CE1 4.49Å; E31-Y104 HydrophobicContact CG-CE2 3.97Å; L100-Y104 HydrophobicContact CD2-CD2 4.21Å; L100-Y104 HydrophobicContact CD2-CE2 4.44Å; L100-Y104 WeakPolarHBondContact O-CB 3.26Å; L100-Y104 PolarHBondContact O-N 3.38Å; Y104-N108 VanDerWaalsContact O-CB 3.29Å; Y104-N108 WeakPolarHBondContact O-CB 3.28Å; Y104-N108 PolarHBondContact O-ND2 3.02Å
105L96.1Very high94.5Very high7 Ų755.4 Ų55.44%0.03728%0.277CS..Iπ-helixtrans-92.4-56.8-167.1-58.6169.7000112.8T30 L36 L44 L100 L101 T107 N108 S109 Y118T30-L105 HydrophobicContact CG2-CD1 4.15Å; T30-L105 HydrophobicContact CG2-CD2 3.66Å; T30-L105 HydrophobicContact CG2-CG 3.81Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.83Å; L44-L105 HydrophobicContact CD2-CD1 3.54Å; L100-L105 HydrophobicContact CB-CD1 4.47Å; L100-L105 PolarHBondContact O-N 3.01Å; L100-L105 VanDerWaalsContact O-N 3.1Å; L101-L105 HydrophobicContact CD2-CB 4.37Å; L101-L105 HydrophobicContact CD2-CD1 3.86Å; L101-L105 HydrophobicContact CG-CD1 4.46Å; L101-L105 PolarHBondContact O-N 3.27Å; L105-T107 PolarHBondContact O-N 2.88Å; L105-N108 PolarHBondContact O-N 3.39Å; L105-S109 VanDerWaalsContact O-CB 3.31Å; L105-S109 WeakPolarHBondContact O-CB 3.32Å; L105-S109 PolarHBondContact O-N 3.13Å; L105-Y118 HydrophobicContact CB-CD1 3.91Å; L105-Y118 HydrophobicContact CB-CD2 3.9Å; L105-Y118 HydrophobicContact CB-CE1 3.97Å; L105-Y118 HydrophobicContact CB-CE2 3.96Å; L105-Y118 HydrophobicContact CB-CG 3.9Å; L105-Y118 HydrophobicContact CD1-CD1 4.04Å; L105-Y118 HydrophobicContact CD1-CE1 3.9Å; L105-Y118 HydrophobicContact CD2-CE1 4.1Å; L105-Y118 HydrophobicContact CG-CD1 4.47Å; L105-Y118 HydrophobicContact CG-CE1 4.21Å
106I95.2Very high94.5Very high27 Ų2753 Ų5314%0.13826%0.264CS..THydrogen-bonded Turntrans-65.2-43.8-177.4-64.7170.2000110.4L101 N108 S109 L119 K122L101-I106 HydrophobicContact CB-CD1 3.99Å; L101-I106 HydrophobicContact CB-CG1 4.4Å; L101-I106 WeakPolarHBondContact O-CB 3.5Å; L101-I106 WeakPolarHBondContact O-CG1 3.38Å; L101-I106 PolarHBondContact O-N 3.41Å; I106-N108 VanDerWaalsContact C-N 3.29Å; I106-N108 PolarHBondContact O-N 2.99Å; I106-S109 PolarHBondContact O-N 3.19Å; I106-L119 HydrophobicContact CD1-CD2 4.05Å; I106-L119 HydrophobicContact CG2-CD2 4.47Å; I106-K122 HydrophobicContact CD1-CB 4.33Å; I106-K122 HydrophobicContact CD1-CD 3.74Å
107T90.6Very high94.5Very high105 Ų10551.2 Ų51.264%0.64425%0.254SS*.THydrogen-bonded Turntrans-65.4-31.4-177.4-59.70000112.7D102 L105D102-T107 PolarHBondContact O-OG1 3.28Å; L105-T107 PolarHBondContact O-N 2.88Å
108N88.2Confident94.5Very high74 Ų7451.2 Ų51.240%0.39625%0.254SS..THydrogen-bonded Turntrans-96-8.5-179.6-65.8-42.2000113.8Y104 L105 I106 K110Y104-N108 VanDerWaalsContact O-CB 3.29Å; Y104-N108 WeakPolarHBondContact O-CB 3.28Å; Y104-N108 PolarHBondContact O-ND2 3.02Å; L105-N108 PolarHBondContact O-N 3.39Å; I106-N108 VanDerWaalsContact C-N 3.29Å; I106-N108 PolarHBondContact O-N 2.99Å; N108-K110 PolarHBondContact O-N 3.43Å
109S89Confident94.5Very high14 Ų1451.6 Ų51.610%0.09826%0.256CS..  trans-74.7119.2-176.8-173.20000111.8L105 I106 N111 S114 K115L105-S109 VanDerWaalsContact O-CB 3.31Å; L105-S109 WeakPolarHBondContact O-CB 3.32Å; L105-S109 PolarHBondContact O-N 3.13Å; I106-S109 PolarHBondContact O-N 3.19Å; S109-N111 PolarHBondContact OG-O 3.06Å; S109-S114 WeakPolarHBondContact OG-CB 3.25Å; S109-K115 PolarHBondContact OG-N 3.16Å; S109-K115 VanDerWaalsContact OG-N 3.11Å
110K87.3Confident94.6Very high187 Ų18747.4 Ų47.481%0.81324%0.238SC*.  trans-98.4-32.1178.1-65.2177.5-176.2174.60112.6N108N108-K110 PolarHBondContact O-N 3.43Å
111N90.4Very high94.6Very high64 Ų6447.7 Ų47.734%0.34224%0.239SC..SBendtrans-77.4128.3178.5-177.9-20.1000110.4S109 E113 S114 K115S109-N111 PolarHBondContact OG-O 3.06Å; N111-E113 PolarHBondContact O-N 3.42Å; N111-E113 WeakPolarHBondContact OD1-CB 3.36Å; N111-E113 PolarHBondContact OD1-N 3.31Å; N111-S114 PolarHBondContact O-N 2.92Å; N111-K115 PolarHBondContact O-N 2.92Å
112P93.3Very high94.6Very high43 Ų4349.7 Ų49.728%0.27925%0.248SC..Hα-helixtrans-48.9-39.5171.4-29.436.2000114.7K115 V116 I155 E159P112-K115 PolarHBondContact O-N 3.43Å; P112-V116 WeakPolarHBondContact O-CB 3.4Å; P112-V116 VanDerWaalsContact O-CG2 3.31Å; P112-V116 WeakPolarHBondContact O-CG2 3.46Å; P112-V116 PolarHBondContact O-N 2.83Å; P112-I155 HydrophobicContact CB-CG2 4.26Å; P112-E159 HydrophobicContact CB-CB 3.64Å; P112-E159 HydrophobicContact CB-CG 3.73Å; P112-E159 HydrophobicContact CG-CB 4.2Å; P112-E159 HydrophobicContact CG-CG 3.99Å
113E93.1Very high94.7Very high66 Ų6647.2 Ų47.231%0.30823%0.234SC..Hα-helixtrans-60.3-50.3177.7-71.1176.9-159.900113.1N111 K115 V116 F117 M160 H164 I166N111-E113 PolarHBondContact O-N 3.42Å; N111-E113 WeakPolarHBondContact OD1-CB 3.36Å; N111-E113 PolarHBondContact OD1-N 3.31Å; E113-K115 VanDerWaalsContact C-N 3.3Å; E113-K115 PolarHBondContact O-N 3.44Å; E113-V116 PolarHBondContact O-N 3.25Å; E113-F117 VanDerWaalsContact O-CB 3.31Å; E113-F117 WeakPolarHBondContact O-CB 3.29Å; E113-F117 PolarHBondContact O-N 2.96Å; E113-M160 HydrophobicContact CB-CE 4.09Å; E113-M160 HydrophobicContact CG-CE 3.88Å; E113-H164 IonicContact OE1-NE2 3.81Å; E113-I166 HydrophobicContact CB-CD1 4.32Å
114S94.2Very high94.8Very high5 Ų542.7 Ų42.74%0.03521%0.21CC..Hα-helixtrans-63.3-39.6176.4-700000111.1R41 S109 N111 F117 Y118R41-S114 VanDerWaalsContact NH1-CA 3.3Å; R41-S114 PolarHBondContact NH1-OG 3.38Å; S109-S114 WeakPolarHBondContact OG-CB 3.25Å; N111-S114 PolarHBondContact O-N 2.92Å; S114-F117 WeakPolarHBondContact O-CB 3.49Å; S114-F117 PolarHBondContact O-N 3.12Å; S114-Y118 WeakPolarHBondContact O-CD2 3.31Å; S114-Y118 VanDerWaalsContact O-CG 3.29Å; S114-Y118 PolarHBondContact O-N 2.96Å
115K95.9Very high94.9Very high86 Ų8639.4 Ų39.437%0.37420%0.197SC..Hα-helixtrans-64.7-45.8178.9-167.4169.9-176.9176.30112.1S109 N111 P112 E113 F117 Y118 L119 I155S109-K115 PolarHBondContact OG-N 3.16Å; S109-K115 VanDerWaalsContact OG-N 3.11Å; N111-K115 PolarHBondContact O-N 2.92Å; P112-K115 PolarHBondContact O-N 3.43Å; E113-K115 VanDerWaalsContact C-N 3.3Å; E113-K115 PolarHBondContact O-N 3.44Å; K115-F117 VanDerWaalsContact C-N 3.35Å; K115-Y118 PolarHBondContact O-N 2.91Å; K115-L119 HydrophobicContact CG-CD1 3.98Å; K115-L119 WeakPolarHBondContact O-CB 3.5Å; K115-L119 VanDerWaalsContact O-CG 3.28Å; K115-L119 WeakPolarHBondContact O-CG 3.46Å; K115-L119 PolarHBondContact O-N 2.82Å; K115-I155 HydrophobicContact CD-CD1 4.09Å; K115-I155 HydrophobicContact CG-CD1 4.25Å
116V97.6Very high95Very high0 Ų040.8 Ų40.80%020%0.202CC..Hα-helixtrans-62.9-42.6174.6172.20000110.6P112 E113 Y118 L119 K120 A152 I155 M160 I166 L170P112-V116 WeakPolarHBondContact O-CB 3.4Å; P112-V116 VanDerWaalsContact O-CG2 3.31Å; P112-V116 WeakPolarHBondContact O-CG2 3.46Å; P112-V116 PolarHBondContact O-N 2.83Å; E113-V116 PolarHBondContact O-N 3.25Å; V116-Y118 PolarHBondContact O-N 3.29Å; V116-L119 PolarHBondContact O-N 2.82Å; V116-K120 WeakPolarHBondContact O-CB 3.4Å; V116-K120 PolarHBondContact O-N 2.95Å; V116-A152 HydrophobicContact CG1-CB 4.31Å; V116-I155 HydrophobicContact CG2-CB 3.73Å; V116-I155 HydrophobicContact CG2-CG2 3.49Å; V116-I155 VanDerWaalsContact CG2-CG2 3.49Å; V116-M160 HydrophobicContact CB-CE 3.55Å; V116-M160 HydrophobicContact CB-SD 4.5Å; V116-M160 HydrophobicContact CG1-CE 3.87Å; V116-M160 HydrophobicContact CG1-SD 4.22Å; V116-M160 HydrophobicContact CG2-CE 3.68Å; V116-I166 HydrophobicContact CB-CG2 4.39Å; V116-I166 HydrophobicContact CG1-CG2 3.75Å; V116-L170 HydrophobicContact CG1-CD2 4.02Å
117F96.5Very high95.1Very high28 Ų2840.1 Ų40.112%0.12320%0.198CC..Hα-helixtrans-57.5-49.3176.6-175.4-82.3000111.9R41 E113 S114 K115 K120 M121 I166R41-F117 VanDerWaalsContact CD-CD1 3.47Å; R41-F117 HydrophobicContact CG-CD1 3.58Å; R41-F117 HydrophobicContact CG-CE1 3.31Å; R41-F117 HydrophobicContact CG-CE2 4.36Å; R41-F117 HydrophobicContact CG-CG 4.22Å; R41-F117 HydrophobicContact CG-CZ 3.73Å; E113-F117 VanDerWaalsContact O-CB 3.31Å; E113-F117 WeakPolarHBondContact O-CB 3.29Å; E113-F117 PolarHBondContact O-N 2.96Å; S114-F117 WeakPolarHBondContact O-CB 3.49Å; S114-F117 PolarHBondContact O-N 3.12Å; K115-F117 VanDerWaalsContact C-N 3.35Å; F117-K120 PolarHBondContact O-N 2.75Å; F117-M121 HydrophobicContact CE1-SD 4.44Å; F117-M121 WeakPolarHBondContact O-CB 3.29Å; F117-M121 PolarHBondContact O-N 2.69Å; F117-I166 HydrophobicContact CB-CD1 4.42Å; F117-I166 HydrophobicContact CB-CG2 4.46Å; F117-I166 HydrophobicContact CD2-CD1 4.25Å; F117-I166 HydrophobicContact CD2-CG1 4.49Å
118Y98Very high95.4Very high2 Ų236.1 Ų36.11%0.00817%0.171CC..Hα-helixtrans-71.1-37.3-179.1-63-46.4000112.8R41 L101 L105 S114 K115 V116 M121 K122R41-Y118 HydrophobicContact CG-CE1 3.85Å; L101-Y118 HydrophobicContact CD2-CD1 3.86Å; L101-Y118 HydrophobicContact CD2-CG 4.18Å; L105-Y118 HydrophobicContact CB-CD1 3.91Å; L105-Y118 HydrophobicContact CB-CD2 3.9Å; L105-Y118 HydrophobicContact CB-CE1 3.97Å; L105-Y118 HydrophobicContact CB-CE2 3.96Å; L105-Y118 HydrophobicContact CB-CG 3.9Å; L105-Y118 HydrophobicContact CD1-CD1 4.04Å; L105-Y118 HydrophobicContact CD1-CE1 3.9Å; L105-Y118 HydrophobicContact CD2-CE1 4.1Å; L105-Y118 HydrophobicContact CG-CD1 4.47Å; L105-Y118 HydrophobicContact CG-CE1 4.21Å; S114-Y118 WeakPolarHBondContact O-CD2 3.31Å; S114-Y118 VanDerWaalsContact O-CG 3.29Å; S114-Y118 PolarHBondContact O-N 2.96Å; K115-Y118 PolarHBondContact O-N 2.91Å; V116-Y118 PolarHBondContact O-N 3.29Å; Y118-M121 WeakPolarHBondContact O-CB 3.44Å; Y118-M121 PolarHBondContact O-N 2.56Å; Y118-K122 WeakPolarHBondContact O-CB 2.97Å; Y118-K122 PolarHBondContact O-N 2.97Å
119L98.4Very high95.8Very high17 Ų1733.3 Ų33.39%0.08916%0.156CC..Hα-helixtrans-67-39.8174.6-73.6168.3000111.9I106 K115 V116 M121 K122 G123 A152 I155I106-L119 HydrophobicContact CD1-CD2 4.05Å; I106-L119 HydrophobicContact CG2-CD2 4.47Å; K115-L119 HydrophobicContact CG-CD1 3.98Å; K115-L119 WeakPolarHBondContact O-CB 3.5Å; K115-L119 VanDerWaalsContact O-CG 3.28Å; K115-L119 WeakPolarHBondContact O-CG 3.46Å; K115-L119 PolarHBondContact O-N 2.82Å; V116-L119 PolarHBondContact O-N 2.82Å; L119-M121 VanDerWaalsContact C-N 3.34Å; L119-K122 WeakPolarHBondContact O-CB 3.29Å; L119-K122 PolarHBondContact O-N 2.73Å; L119-G123 PolarHBondContact O-N 3.09Å; L119-A152 HydrophobicContact CB-CB 3.69Å; L119-I155 HydrophobicContact CD1-CD1 3.77Å
120K98.1Very high96.1Very high36 Ų3632.7 Ų32.716%0.15715%0.152CC..Hα-helixtrans-57.9-48.5170.8178.7-168.3173.4-68.10110.5V116 F117 K122 G123 D124 Y149 G169 L170 N173V116-K120 WeakPolarHBondContact O-CB 3.4Å; V116-K120 PolarHBondContact O-N 2.95Å; F117-K120 PolarHBondContact O-N 2.75Å; K120-K122 VanDerWaalsContact C-N 3.32Å; K120-K122 PolarHBondContact O-N 3.49Å; K120-G123 PolarHBondContact O-N 3.39Å; K120-G123 VanDerWaalsContact O-N 3.16Å; K120-D124 IonicContact NZ-OD2 2.62Å; K120-D124 PolarHBondContact NZ-OD2 2.87Å; K120-D124 PolarHBondContact O-N 2.91Å; K120-Y149 HydrophobicContact CG-CE1 4.45Å; K120-G169 WeakPolarHBondContact CE-O 3.33Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.08Å; K120-L170 HydrophobicContact CG-CB 4.32Å; K120-L170 HydrophobicContact CG-CD1 3.94Å; K120-N173 PolarHBondContact NZ-ND2 3.4Å
121M97.9Very high96.3Very high9 Ų925.2 Ų25.24%0.04412%0.12CC..Hα-helixtrans-59.1-44176.9-165.1175-175.100110.6V97 L101 F117 Y118 L119 G123 D124 Y125V97-M121 HydrophobicContact CG1-CE 3.88Å; L101-M121 HydrophobicContact CD1-CB 4.26Å; L101-M121 HydrophobicContact CD1-CG 4.2Å; L101-M121 HydrophobicContact CD2-CB 4.26Å; L101-M121 HydrophobicContact CD2-CG 4.43Å; L101-M121 HydrophobicContact CD2-SD 4.17Å; F117-M121 HydrophobicContact CE1-SD 4.44Å; F117-M121 WeakPolarHBondContact O-CB 3.29Å; F117-M121 PolarHBondContact O-N 2.69Å; Y118-M121 WeakPolarHBondContact O-CB 3.44Å; Y118-M121 PolarHBondContact O-N 2.56Å; L119-M121 VanDerWaalsContact C-N 3.34Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 3.16Å; M121-D124 WeakPolarHBondContact O-CB 3.22Å; M121-D124 PolarHBondContact O-N 3.21Å; M121-D124 VanDerWaalsContact O-N 3.12Å; M121-Y125 HydrophobicContact CE-CE2 3.61Å; M121-Y125 HydrophobicContact CG-CD2 3.8Å; M121-Y125 HydrophobicContact CG-CE2 3.58Å; M121-Y125 WeakPolarHBondContact O-CD2 3.39Å; M121-Y125 PolarHBondContact O-N 2.91Å; M121-Y125 HydrophobicContact SD-CE2 4.44Å
122K98.6Very high96.4Very high43 Ų4322.9 Ų22.919%0.18711%0.108CC..Hα-helixtrans-56.6-45.4174.2-172.4171.8-179.6170.50112L98 L101 D102 I106 Y118 L119 K120 Y125 Y126 A148L98-K122 HydrophobicContact CD2-CG 3.81Å; L101-K122 HydrophobicContact CD1-CB 3.92Å; D102-K122 VanDerWaalsContact CG-NZ 3.32Å; D102-K122 VanDerWaalsContact OD1-CE 3.28Å; D102-K122 WeakPolarHBondContact OD1-CE 3.39Å; D102-K122 IonicContact OD1-NZ 2.83Å; D102-K122 PolarHBondContact OD1-NZ 3.21Å; D102-K122 IonicContact OD2-NZ 2.83Å; D102-K122 PolarHBondContact OD2-NZ 3.45Å; I106-K122 HydrophobicContact CD1-CB 4.33Å; I106-K122 HydrophobicContact CD1-CD 3.74Å; Y118-K122 WeakPolarHBondContact O-CB 2.97Å; Y118-K122 PolarHBondContact O-N 2.97Å; L119-K122 WeakPolarHBondContact O-CB 3.29Å; L119-K122 PolarHBondContact O-N 2.73Å; K120-K122 VanDerWaalsContact C-N 3.32Å; K120-K122 PolarHBondContact O-N 3.49Å; K122-Y125 PolarHBondContact O-N 3.34Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.92Å; K122-Y126 HydrophobicContact CG-CE2 3.77Å; K122-Y126 VanDerWaalsContact O-CD2 3.29Å; K122-Y126 WeakPolarHBondContact O-CD2 3.32Å; K122-Y126 PolarHBondContact O-N 2.95Å; K122-Y126 VanDerWaalsContact O-N 3.07Å; K122-A148 HydrophobicContact CB-CB 4.09Å; K122-A148 HydrophobicContact CD-CB 4.33Å; K122-A148 HydrophobicContact CG-CB 3.98Å
123G98.4Very high96.1Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-58.6-45.4173.800000112.7L119 K120 M121 Y126 R127 S145 Y149L119-G123 PolarHBondContact O-N 3.09Å; K120-G123 PolarHBondContact O-N 3.39Å; K120-G123 VanDerWaalsContact O-N 3.16Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 3.16Å; G123-Y126 PolarHBondContact O-N 3.07Å; G123-R127 WeakPolarHBondContact O-CB 3.35Å; G123-R127 PolarHBondContact O-N 2.93Å; G123-S145 PolarHBondContact O-OG 3.03Å; G123-Y149 VanDerWaalsContact C-CZ 3.41Å
124D98.1Very high95.6Very high8 Ų823.4 Ų23.44%0.04312%0.121CC..Hα-helixtrans-59.4-47.4177.2-74.8-39.1000112.3K120 M121 R127 Y128 Y149 N173K120-D124 IonicContact NZ-OD2 2.62Å; K120-D124 PolarHBondContact NZ-OD2 2.87Å; K120-D124 PolarHBondContact O-N 2.91Å; M121-D124 WeakPolarHBondContact O-CB 3.22Å; M121-D124 PolarHBondContact O-N 3.21Å; M121-D124 VanDerWaalsContact O-N 3.12Å; D124-R127 WeakPolarHBondContact O-CB 3.49Å; D124-R127 PolarHBondContact O-N 2.85Å; D124-R127 IonicContact OD1-CZ 3.56Å; D124-R127 IonicContact OD1-NE 3.15Å; D124-R127 IonicContact OD1-NH2 3.49Å; D124-R127 PolarHBondContact OD1-NH2 2.9Å; D124-Y128 HydrophobicContact CB-CE2 4.16Å; D124-Y128 WeakPolarHBondContact O-CD1 3.39Å; D124-Y128 VanDerWaalsContact O-CD2 3.27Å; D124-Y128 WeakPolarHBondContact O-CD2 3.5Å; D124-Y128 PolarHBondContact O-N 3.45Å; D124-Y149 VanDerWaalsContact CA-OH 3.29Å; D124-Y149 WeakPolarHBondContact CA-OH 3.22Å; D124-Y149 PolarHBondContact N-OH 2.92Å; D124-Y149 PolarHBondContact OD1-OH 3.37Å; D124-N173 WeakPolarHBondContact OD1-CB 3.4Å; D124-N173 PolarHBondContact OD1-ND2 3.44Å; D124-N173 PolarHBondContact OD2-ND2 3.22Å
125Y98.2Very high95Very high7 Ų726 Ų263%0.02715%0.149CC..Hα-helixtrans-70.9-36.3-179.3-78.7-82000113.2Y48 V52 C94 V97 M121 K122 R127 Y128 L129Y48-Y125 WeakPolarHBondContact CB-OH 3.44Å; Y48-Y125 PolarHBondContact O-OH 3.05Å; V52-Y125 HydrophobicContact CB-CE1 4.19Å; V52-Y125 HydrophobicContact CG1-CE1 4.13Å; V52-Y125 HydrophobicContact CG2-CE1 4.32Å; C94-Y125 HydrophobicContact CB-CD1 4.03Å; V97-Y125 HydrophobicContact CB-CD1 4Å; V97-Y125 HydrophobicContact CB-CD2 4.14Å; V97-Y125 HydrophobicContact CB-CE1 4.04Å; V97-Y125 HydrophobicContact CB-CE2 4.26Å; V97-Y125 HydrophobicContact CB-CG 4.06Å; V97-Y125 HydrophobicContact CG1-CD1 4.23Å; V97-Y125 HydrophobicContact CG1-CD2 3.46Å; V97-Y125 VanDerWaalsContact CG1-CD2 3.46Å; V97-Y125 HydrophobicContact CG1-CE1 4.24Å; V97-Y125 HydrophobicContact CG1-CE2 3.54Å; V97-Y125 HydrophobicContact CG1-CG 3.88Å; V97-Y125 HydrophobicContact CG2-CD1 4.22Å; V97-Y125 HydrophobicContact CG2-CE1 3.77Å; V97-Y125 HydrophobicContact CG2-CE2 4.37Å; M121-Y125 HydrophobicContact CE-CE2 3.61Å; M121-Y125 HydrophobicContact CG-CD2 3.8Å; M121-Y125 HydrophobicContact CG-CE2 3.58Å; M121-Y125 WeakPolarHBondContact O-CD2 3.39Å; M121-Y125 PolarHBondContact O-N 2.91Å; M121-Y125 HydrophobicContact SD-CE2 4.44Å; K122-Y125 PolarHBondContact O-N 3.34Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; Y125-Y128 AromaticContact CD1-CD2 3.91Å; Y125-Y128 HydrophobicContact CD1-CD2 3.91Å; Y125-Y128 HydrophobicContact CD1-CE2 4.31Å; Y125-Y128 HydrophobicContact CE1-CD2 4.15Å; Y125-Y128 HydrophobicContact CE1-CE2 4.25Å; Y125-Y128 HydrophobicContact CG-CD2 4.29Å; Y125-Y128 PolarHBondContact O-N 3.36Å; Y125-L129 WeakPolarHBondContact O-CG 3.24Å; Y125-L129 PolarHBondContact O-N 3.49Å; Y125-L129 VanDerWaalsContact O-N 3.08Å
126Y98.4Very high94Very high36 Ų3629.3 Ų29.314%0.14117%0.17CC..Hα-helixtrans-65.8-36.4169.6-80.8-60.9000112.1L98 K122 G123 Y128 L129 A130 T141 N144L98-Y126 HydrophobicContact CD1-CD1 3.88Å; L98-Y126 HydrophobicContact CD1-CD2 4.48Å; L98-Y126 HydrophobicContact CD1-CE1 3.58Å; L98-Y126 HydrophobicContact CD1-CE2 4.21Å; L98-Y126 HydrophobicContact CD1-CG 4.31Å; L98-Y126 HydrophobicContact CD2-CD2 3.74Å; L98-Y126 HydrophobicContact CD2-CE1 4.43Å; L98-Y126 HydrophobicContact CD2-CE2 3.54Å; L98-Y126 HydrophobicContact CD2-CG 4.25Å; L98-Y126 HydrophobicContact CG-CE2 4.5Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.92Å; K122-Y126 HydrophobicContact CG-CE2 3.77Å; K122-Y126 VanDerWaalsContact O-CD2 3.29Å; K122-Y126 WeakPolarHBondContact O-CD2 3.32Å; K122-Y126 PolarHBondContact O-N 2.95Å; K122-Y126 VanDerWaalsContact O-N 3.07Å; G123-Y126 PolarHBondContact O-N 3.07Å; Y126-Y128 PolarHBondContact O-N 3.35Å; Y126-L129 HydrophobicContact CD1-CD1 4.13Å; Y126-L129 WeakPolarHBondContact O-CB 3.08Å; Y126-L129 PolarHBondContact O-N 3.42Å; Y126-A130 PolarHBondContact O-N 3.01Å; Y126-T141 HydrophobicContact CD1-CG2 4.19Å; Y126-T141 WeakPolarHBondContact O-CG2 3.41Å; Y126-N144 HydrophobicContact CD1-CB 3.75Å; Y126-N144 HydrophobicContact CD2-CB 3.78Å; Y126-N144 HydrophobicContact CE1-CB 3.77Å; Y126-N144 HydrophobicContact CE2-CB 3.8Å; Y126-N144 HydrophobicContact CG-CB 3.77Å
127R97.6Very high93.3Very high12 Ų1235 Ų355%0.04520%0.201CC..Hα-helixtrans-61.4-44174171.9169.76388.1-3.7111.5G123 D124 Y125 L129 A130 E131 S145 Y149 F177 I181G123-R127 WeakPolarHBondContact O-CB 3.35Å; G123-R127 PolarHBondContact O-N 2.93Å; D124-R127 WeakPolarHBondContact O-CB 3.49Å; D124-R127 PolarHBondContact O-N 2.85Å; D124-R127 IonicContact OD1-CZ 3.56Å; D124-R127 IonicContact OD1-NE 3.15Å; D124-R127 IonicContact OD1-NH2 3.49Å; D124-R127 PolarHBondContact OD1-NH2 2.9Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 3.14Å; R127-A130 WeakPolarHBondContact O-CB 3.32Å; R127-A130 PolarHBondContact O-N 3.22Å; R127-E131 IonicContact NH1-OE1 3.21Å; R127-E131 WeakPolarHBondContact O-CG 3.03Å; R127-E131 PolarHBondContact O-N 2.86Å; R127-S145 PolarHBondContact N-OG 3.29Å; R127-Y149 HydrophobicContact CB-CE2 4.48Å; R127-Y149 PolarHBondContact NE-OH 3.2Å; R127-F177 HydrophobicContact CB-CD2 4.33Å; R127-F177 HydrophobicContact CG-CD2 4.34Å; R127-I181 HydrophobicContact CG-CD1 4.13Å; R127-I181 HydrophobicContact CG-CG1 3.86Å
128Y96.9Very high93.1Very high21 Ų2138 Ų388%0.08221%0.214CC..Hα-helixtrans-62.1-38176.2-53.7-29000112.3V52 D124 Y125 Y126 A130 E131V52-Y128 HydrophobicContact CG1-CD2 3.99Å; V52-Y128 HydrophobicContact CG1-CE2 3.79Å; V52-Y128 HydrophobicContact CG2-CD2 3.9Å; V52-Y128 HydrophobicContact CG2-CG 4.48Å; D124-Y128 HydrophobicContact CB-CE2 4.16Å; D124-Y128 WeakPolarHBondContact O-CD1 3.39Å; D124-Y128 VanDerWaalsContact O-CD2 3.27Å; D124-Y128 WeakPolarHBondContact O-CD2 3.5Å; D124-Y128 PolarHBondContact O-N 3.45Å; Y125-Y128 AromaticContact CD1-CD2 3.91Å; Y125-Y128 HydrophobicContact CD1-CD2 3.91Å; Y125-Y128 HydrophobicContact CD1-CE2 4.31Å; Y125-Y128 HydrophobicContact CE1-CD2 4.15Å; Y125-Y128 HydrophobicContact CE1-CE2 4.25Å; Y125-Y128 HydrophobicContact CG-CD2 4.29Å; Y125-Y128 PolarHBondContact O-N 3.36Å; Y126-Y128 PolarHBondContact O-N 3.35Å; Y128-A130 VanDerWaalsContact C-N 3.35Å; Y128-E131 WeakPolarHBondContact O-CB 3.18Å; Y128-E131 PolarHBondContact O-N 3.27Å
129L96.1Very high92.8Very high15 Ų1541.4 Ų41.48%0.07924%0.238CC..Hα-helixtrans-63.1-41.1171.3-72.4174.2000111.6E91 C94 L98 Y125 Y126 R127 E131 V132 A133 T141E91-L129 HydrophobicContact CB-CD2 4.19Å; E91-L129 HydrophobicContact CG-CD2 3.79Å; C94-L129 HydrophobicContact CB-CD1 4Å; C94-L129 HydrophobicContact CB-CD2 3.64Å; C94-L129 HydrophobicContact CB-CG 3.59Å; L98-L129 HydrophobicContact CD1-CD1 3.68Å; Y125-L129 WeakPolarHBondContact O-CG 3.24Å; Y125-L129 PolarHBondContact O-N 3.49Å; Y125-L129 VanDerWaalsContact O-N 3.08Å; Y126-L129 HydrophobicContact CD1-CD1 4.13Å; Y126-L129 WeakPolarHBondContact O-CB 3.08Å; Y126-L129 PolarHBondContact O-N 3.42Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 3.14Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.95Å; L129-V132 WeakPolarHBondContact O-CG2 3.36Å; L129-V132 PolarHBondContact O-N 3.48Å; L129-A133 VanDerWaalsContact O-CB 3.22Å; L129-A133 WeakPolarHBondContact O-CB 3.34Å; L129-A133 PolarHBondContact O-N 3.35Å; L129-T141 HydrophobicContact CB-CG2 3.45Å; L129-T141 VanDerWaalsContact CB-CG2 3.45Å
130A95.1Very high92.6Very high1 Ų147 Ų471%0.00826%0.261CS..Hα-helixtrans-65.8-28.3-179.900000113.2Y126 R127 Y128 V132 T141 I142 I181Y126-A130 PolarHBondContact O-N 3.01Å; R127-A130 WeakPolarHBondContact O-CB 3.32Å; R127-A130 PolarHBondContact O-N 3.22Å; Y128-A130 VanDerWaalsContact C-N 3.35Å; A130-V132 VanDerWaalsContact C-N 3.32Å; A130-T141 HydrophobicContact CB-CG2 3.94Å; A130-I142 HydrophobicContact CB-CG1 3.81Å; A130-I181 HydrophobicContact CB-CD1 4.43Å; A130-I181 HydrophobicContact CB-CG2 4.14Å
131E92.1Very high92.4Very high30 Ų3046.2 Ų46.214%0.1426%0.26CS..Hα-helixtrans-62.2-38.8175.1-70.8170.5-158.300112R56 W59 R127 Y128 L129 I181R56-E131 IonicContact CZ-OE1 3.72Å; R56-E131 IonicContact CZ-OE2 2.69Å; R56-E131 VanDerWaalsContact CZ-OE2 3.28Å; R56-E131 IonicContact NE-OE1 2.73Å; R56-E131 IonicContact NE-OE2 3.44Å; R56-E131 PolarHBondContact NE-OE2 3.43Å; R56-E131 IonicContact NH2-OE1 2.91Å; R56-E131 PolarHBondContact NH2-OE1 2.86Å; R56-E131 IonicContact NH2-OE2 3.57Å; R56-E131 PolarHBondContact NH2-OE2 3.34Å; W59-E131 VanDerWaalsContact CH2-O 3.25Å; W59-E131 WeakPolarHBondContact CH2-O 3.29Å; R127-E131 IonicContact NH1-OE1 3.21Å; R127-E131 WeakPolarHBondContact O-CG 3.03Å; R127-E131 PolarHBondContact O-N 2.86Å; Y128-E131 WeakPolarHBondContact O-CB 3.18Å; Y128-E131 PolarHBondContact O-N 3.27Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.95Å; E131-I181 HydrophobicContact CG-CD1 3.95Å
132V91.3Very high92.4Very high16 Ų1647 Ų4710%0.09726%0.264CS..Hα-helixtrans-100.3-17.3-176.9-55.10000113.8W59 E87 L90 L129 A130W59-V132 HydrophobicContact CD2-CG1 3.77Å; W59-V132 HydrophobicContact CE3-CG1 4.29Å; W59-V132 HydrophobicContact CG-CG1 4.04Å; W59-V132 HydrophobicContact CH2-CG1 4.46Å; W59-V132 HydrophobicContact CZ2-CB 4.34Å; W59-V132 HydrophobicContact CZ2-CG1 3.97Å; E87-V132 HydrophobicContact CG-CB 4.16Å; E87-V132 HydrophobicContact CG-CG1 4.44Å; L90-V132 HydrophobicContact CD1-CG1 3.92Å; L90-V132 HydrophobicContact CD2-CG1 4.29Å; L90-V132 HydrophobicContact CD2-CG2 3.94Å; L129-V132 WeakPolarHBondContact O-CG2 3.36Å; L129-V132 PolarHBondContact O-N 3.48Å; A130-V132 VanDerWaalsContact C-N 3.32Å
133A88.9Confident92.3Very high23 Ų2350.9 Ų50.919%0.1928%0.283CS..  trans-65.2145.8-177.100000112.7L129 K138L129-A133 VanDerWaalsContact O-CB 3.22Å; L129-A133 WeakPolarHBondContact O-CB 3.34Å; L129-A133 PolarHBondContact O-N 3.35Å; A133-K138 HydrophobicContact CB-CB 4.03Å; A133-K138 HydrophobicContact CB-CG 4.24Å
134S81.3Confident92.2Very high97 Ų9752.9 Ų52.968%0.67829%0.294SS*.  trans-132.4157.9173.957.40000111
135G81.4Confident92.2Very high59 Ų5952.5 Ų52.561%0.60829%0.292SS*.THydrogen-bonded Turntrans62.6-149.1-179.600000114.1N137 K138G135-N137 PolarHBondContact O-N 3.04Å; G135-K138 WeakPolarHBondContact O-CB 3.48Å; G135-K138 PolarHBondContact O-N 3.41Å; G135-K138 VanDerWaalsContact O-N 3.08Å
136D76.3Confident92.2Very high155 Ų15555.7 Ų55.783%0.82931%0.307SS*.Hα-helixtrans-64-25.8-171-60.8-23.3000113.9K138D136-K138 PolarHBondContact O-N 3.24Å
137N82.7Confident92.2Very high121 Ų12160 Ų6065%0.64733%0.328SS*.Hα-helixtrans-68.4-22.3177.3-75.8-18.4000112.7G135 T141G135-N137 PolarHBondContact O-N 3.04Å; N137-T141 WeakPolarHBondContact O-CB 3.49Å; N137-T141 PolarHBondContact O-N 3.48Å; N137-T141 PolarHBondContact O-OG1 2.88Å
138K90.7Very high92.3Very high90 Ų9059.8 Ų59.839%0.39133%0.329SS..Hα-helixtrans-66.9-50.2-176.8-171.7172-172.9167.30111.7A133 G135 D136 K140 T141 I142A133-K138 HydrophobicContact CB-CB 4.03Å; A133-K138 HydrophobicContact CB-CG 4.24Å; G135-K138 WeakPolarHBondContact O-CB 3.48Å; G135-K138 PolarHBondContact O-N 3.41Å; G135-K138 VanDerWaalsContact O-N 3.08Å; D136-K138 PolarHBondContact O-N 3.24Å; K138-K140 PolarHBondContact O-N 3.11Å; K138-T141 WeakPolarHBondContact O-CB 3.28Å; K138-T141 PolarHBondContact O-N 2.82Å; K138-T141 VanDerWaalsContact O-N 3.15Å; K138-I142 HydrophobicContact CG-CD1 3.87Å; K138-I142 HydrophobicContact CG-CG1 4.38Å; K138-I142 VanDerWaalsContact O-CG1 3.3Å; K138-I142 WeakPolarHBondContact O-CG1 3.48Å; K138-I142 PolarHBondContact O-N 3.27Å
139S92.4Very high92.4Very high74 Ų7458.8 Ų58.852%0.51733%0.325SS..Hα-helixtrans-59.2-46.6-177.2-54.80000112.1T141 I142 E143S139-T141 VanDerWaalsContact C-N 3.31Å; S139-T141 PolarHBondContact O-N 3.04Å; S139-I142 WeakPolarHBondContact O-CB 3.47Å; S139-I142 PolarHBondContact O-N 3.29Å; S139-E143 WeakPolarHBondContact O-CG 3.39Å; S139-E143 PolarHBondContact O-N 3.39Å
140K93.5Very high92.5Very high133 Ų13361.2 Ų61.258%0.57834%0.336SS*.Hα-helixtrans-62.1-39.1177.4-174175.3-178.1178.90112.6K138 E143 N144K138-K140 PolarHBondContact O-N 3.11Å; K140-E143 PolarHBondContact O-N 3.06Å; K140-N144 WeakPolarHBondContact O-CB 3.45Å; K140-N144 VanDerWaalsContact O-CG 3.23Å; K140-N144 PolarHBondContact O-N 2.99Å; K140-N144 PolarHBondContact O-ND2 2.83Å
141T95.4Very high92.6Very high21 Ų2163.3 Ų63.313%0.12935%0.35CS..Hα-helixtrans-66.3-40.5178-590000111.3Y126 L129 A130 N137 K138 S139 N144 S145Y126-T141 HydrophobicContact CD1-CG2 4.19Å; Y126-T141 WeakPolarHBondContact O-CG2 3.41Å; L129-T141 HydrophobicContact CB-CG2 3.45Å; L129-T141 VanDerWaalsContact CB-CG2 3.45Å; A130-T141 HydrophobicContact CB-CG2 3.94Å; N137-T141 WeakPolarHBondContact O-CB 3.49Å; N137-T141 PolarHBondContact O-N 3.48Å; N137-T141 PolarHBondContact O-OG1 2.88Å; K138-T141 WeakPolarHBondContact O-CB 3.28Å; K138-T141 PolarHBondContact O-N 2.82Å; K138-T141 VanDerWaalsContact O-N 3.15Å; S139-T141 VanDerWaalsContact C-N 3.31Å; S139-T141 PolarHBondContact O-N 3.04Å; T141-N144 PolarHBondContact O-N 3.09Å; T141-S145 PolarHBondContact O-N 3.25Å
142I96.6Very high92.9Very high26 Ų2661.9 Ų61.913%0.13334%0.344CS..Hα-helixtrans-62.6-48.1174.8-68.3175.8000110.7A130 K138 S139 N144 S145 Q146 F177 I181 L182A130-I142 HydrophobicContact CB-CG1 3.81Å; K138-I142 HydrophobicContact CG-CD1 3.87Å; K138-I142 HydrophobicContact CG-CG1 4.38Å; K138-I142 VanDerWaalsContact O-CG1 3.3Å; K138-I142 WeakPolarHBondContact O-CG1 3.48Å; K138-I142 PolarHBondContact O-N 3.27Å; S139-I142 WeakPolarHBondContact O-CB 3.47Å; S139-I142 PolarHBondContact O-N 3.29Å; I142-N144 VanDerWaalsContact C-N 3.34Å; I142-N144 PolarHBondContact O-N 3.42Å; I142-S145 WeakPolarHBondContact O-CB 3.31Å; I142-S145 PolarHBondContact O-N 3.28Å; I142-Q146 PolarHBondContact O-N 3.37Å; I142-F177 HydrophobicContact CG2-CE2 4.33Å; I142-F177 HydrophobicContact CG2-CZ 3.91Å; I142-I181 HydrophobicContact CB-CG2 4.41Å; I142-I181 HydrophobicContact CD1-CG2 3.8Å; I142-I181 HydrophobicContact CG1-CG2 3.57Å; I142-I181 HydrophobicContact CG2-CG2 4.15Å; I142-L182 HydrophobicContact CG2-CD2 3.42Å; I142-L182 VanDerWaalsContact CG2-CD2 3.42Å; I142-L182 HydrophobicContact CG2-CG 4.47Å
143E96.6Very high93.2Very high123 Ų12362.3 Ų62.358%0.57534%0.344SS*.Hα-helixtrans-57.9-45.4177.4-74.1172-170.800111.7S139 K140 S145 Q146 Q147S139-E143 WeakPolarHBondContact O-CG 3.39Å; S139-E143 PolarHBondContact O-N 3.39Å; K140-E143 PolarHBondContact O-N 3.06Å; E143-S145 PolarHBondContact O-N 3.45Å; E143-Q146 PolarHBondContact O-N 3.46Å; E143-Q147 WeakPolarHBondContact O-CB 3.49Å; E143-Q147 PolarHBondContact O-N 2.9Å
144N97.5Very high93.6Very high43 Ų4365.1 Ų65.123%0.2336%0.356CS..Hα-helixtrans-62.6-40.6177.3-73.5-25.1000112.6Y126 K140 T141 I142 A148Y126-N144 HydrophobicContact CD1-CB 3.75Å; Y126-N144 HydrophobicContact CD2-CB 3.78Å; Y126-N144 HydrophobicContact CE1-CB 3.77Å; Y126-N144 HydrophobicContact CE2-CB 3.8Å; Y126-N144 HydrophobicContact CG-CB 3.77Å; K140-N144 WeakPolarHBondContact O-CB 3.45Å; K140-N144 VanDerWaalsContact O-CG 3.23Å; K140-N144 PolarHBondContact O-N 2.99Å; K140-N144 PolarHBondContact O-ND2 2.83Å; T141-N144 PolarHBondContact O-N 3.09Å; I142-N144 VanDerWaalsContact C-N 3.34Å; I142-N144 PolarHBondContact O-N 3.42Å; N144-A148 WeakPolarHBondContact O-CB 3.43Å; N144-A148 PolarHBondContact O-N 3.37Å; N144-A148 VanDerWaalsContact O-N 3.09Å
145S98.3Very high94.4Very high0 Ų062.4 Ų62.40%033%0.334CS..Hα-helixtrans-62.7-48.8175.3-174.40000110.9G123 R127 T141 I142 E143 Q147 A148 Y149 F177G123-S145 PolarHBondContact O-OG 3.03Å; R127-S145 PolarHBondContact N-OG 3.29Å; T141-S145 PolarHBondContact O-N 3.25Å; I142-S145 WeakPolarHBondContact O-CB 3.31Å; I142-S145 PolarHBondContact O-N 3.28Å; E143-S145 PolarHBondContact O-N 3.45Å; S145-Q147 PolarHBondContact O-N 3.32Å; S145-A148 PolarHBondContact O-N 2.99Å; S145-Y149 VanDerWaalsContact O-CD2 3.25Å; S145-Y149 WeakPolarHBondContact O-CD2 3.39Å; S145-Y149 PolarHBondContact O-N 3.46Å; S145-Y149 VanDerWaalsContact OG-CE2 3.32Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.31Å; S145-F177 WeakPolarHBondContact OG-CD2 3.39Å; S145-F177 WeakPolarHBondContact OG-CE2 3.48Å
146Q98.1Very high95.2Very high73 Ų7359.6 Ų59.634%0.34131%0.305SS..Hα-helixtrans-60.7-45.1179.3-171.9175.7-4.600111.7I142 E143 A148 Y149 Q150 F174 F177I142-Q146 PolarHBondContact O-N 3.37Å; E143-Q146 PolarHBondContact O-N 3.46Å; Q146-A148 VanDerWaalsContact C-N 3.34Å; Q146-A148 PolarHBondContact O-N 3.28Å; Q146-Y149 PolarHBondContact O-N 2.98Å; Q146-Q150 VanDerWaalsContact O-CB 3.26Å; Q146-Q150 WeakPolarHBondContact O-CB 3.5Å; Q146-Q150 PolarHBondContact O-N 3.13Å; Q146-F174 HydrophobicContact CG-CE2 4.5Å; Q146-F177 HydrophobicContact CB-CE1 3.72Å; Q146-F177 HydrophobicContact CB-CZ 3.76Å; Q146-F177 HydrophobicContact CG-CE1 4.02Å
147Q98.4Very high96.1Very high128 Ų12857 Ų5760%0.59829%0.286SS*.Hα-helixtrans-62-41.9178.9-172.7-177.215.200111.7E143 S145 S151E143-Q147 WeakPolarHBondContact O-CB 3.49Å; E143-Q147 PolarHBondContact O-N 2.9Å; S145-Q147 PolarHBondContact O-N 3.32Å; Q147-S151 WeakPolarHBondContact O-CB 3.06Å; Q147-S151 PolarHBondContact O-N 3.11Å; Q147-S151 PolarHBondContact O-OG 3.46Å
148A98.5Very high96.7Very high6 Ų656.2 Ų56.25%0.0529%0.286CS..Hα-helixtrans-65.5-46.1178.500000111.8K122 N144 S145 Q146 S151 A152K122-A148 HydrophobicContact CB-CB 4.09Å; K122-A148 HydrophobicContact CD-CB 4.33Å; K122-A148 HydrophobicContact CG-CB 3.98Å; N144-A148 WeakPolarHBondContact O-CB 3.43Å; N144-A148 PolarHBondContact O-N 3.37Å; N144-A148 VanDerWaalsContact O-N 3.09Å; S145-A148 PolarHBondContact O-N 2.99Å; Q146-A148 VanDerWaalsContact C-N 3.34Å; Q146-A148 PolarHBondContact O-N 3.28Å; A148-S151 PolarHBondContact O-N 3.46Å; A148-A152 WeakPolarHBondContact O-CB 3.27Å; A148-A152 PolarHBondContact O-N 3.11Å
149Y98.6Very high96.9Very high0 Ų057.4 Ų57.40%029%0.293CS..Hα-helixtrans-63.5-43.9175.3-75.9-54000112.5K120 G123 D124 R127 S145 Q146 S151 A152 F153 L170 N173 F174 F177K120-Y149 HydrophobicContact CG-CE1 4.45Å; G123-Y149 VanDerWaalsContact C-CZ 3.41Å; D124-Y149 VanDerWaalsContact CA-OH 3.29Å; D124-Y149 WeakPolarHBondContact CA-OH 3.22Å; D124-Y149 PolarHBondContact N-OH 2.92Å; D124-Y149 PolarHBondContact OD1-OH 3.37Å; R127-Y149 HydrophobicContact CB-CE2 4.48Å; R127-Y149 PolarHBondContact NE-OH 3.2Å; S145-Y149 VanDerWaalsContact O-CD2 3.25Å; S145-Y149 WeakPolarHBondContact O-CD2 3.39Å; S145-Y149 PolarHBondContact O-N 3.46Å; S145-Y149 VanDerWaalsContact OG-CE2 3.32Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.31Å; Q146-Y149 PolarHBondContact O-N 2.98Å; Y149-S151 VanDerWaalsContact C-N 3.34Å; Y149-S151 PolarHBondContact O-N 3.3Å; Y149-A152 WeakPolarHBondContact O-CB 3.45Å; Y149-A152 PolarHBondContact O-N 3.48Å; Y149-F153 VanDerWaalsContact O-CB 3.27Å; Y149-F153 WeakPolarHBondContact O-CB 3.18Å; Y149-F153 PolarHBondContact O-N 2.84Å; Y149-L170 HydrophobicContact CD1-CD1 3.67Å; Y149-L170 HydrophobicContact CE1-CD1 4.39Å; Y149-N173 HydrophobicContact CE1-CB 4.06Å; Y149-F174 VanDerWaalsContact CB-CD2 3.49Å; Y149-F174 HydrophobicContact CD1-CB 4.24Å; Y149-F174 HydrophobicContact CD1-CG 4.49Å; Y149-F174 AromaticContact CD2-CD2 3.83Å; Y149-F174 HydrophobicContact CD2-CD2 3.83Å; Y149-F174 HydrophobicContact CD2-CE2 4.28Å; Y149-F174 HydrophobicContact CD2-CG 4.47Å; Y149-F174 HydrophobicContact CG-CB 4.21Å; Y149-F174 AromaticContact CG-CD2 3.78Å; Y149-F174 HydrophobicContact CG-CD2 3.78Å; Y149-F174 HydrophobicContact CG-CE2 4.27Å; Y149-F174 HydrophobicContact CG-CG 4.01Å; Y149-F177 HydrophobicContact CD2-CB 4.2Å; Y149-F177 HydrophobicContact CD2-CD1 4.39Å; Y149-F177 HydrophobicContact CD2-CD2 4.44Å; Y149-F177 HydrophobicContact CD2-CG 4.09Å; Y149-F177 HydrophobicContact CE2-CB 3.8Å; Y149-F177 HydrophobicContact CE2-CD2 4.12Å; Y149-F177 AromaticContact CE2-CG 3.97Å; Y149-F177 HydrophobicContact CE2-CG 3.97Å
150Q98.4Very high97.1Very high67 Ų6754.4 Ų54.431%0.31327%0.271SS..Hα-helixtrans-61.6-44.8178.5-171.562.453.700111.1Q146 A152 F153 D154 F174Q146-Q150 VanDerWaalsContact O-CB 3.26Å; Q146-Q150 WeakPolarHBondContact O-CB 3.5Å; Q146-Q150 PolarHBondContact O-N 3.13Å; Q150-A152 VanDerWaalsContact C-N 3.33Å; Q150-A152 PolarHBondContact O-N 3.22Å; Q150-F153 WeakPolarHBondContact O-CB 3.43Å; Q150-F153 PolarHBondContact O-N 3.42Å; Q150-F153 VanDerWaalsContact O-N 3.09Å; Q150-D154 PolarHBondContact NE2-OD1 3.19Å; Q150-D154 PolarHBondContact NE2-OD2 2.91Å; Q150-D154 VanDerWaalsContact O-CG 3.25Å; Q150-D154 PolarHBondContact O-N 2.92Å; Q150-F174 HydrophobicContact CB-CZ 4.45Å
151S97.9Very high97.1Very high45 Ų4553.9 Ų53.932%0.31527%0.27SS..Hα-helixtrans-61.3-41.8176.8-56.80000111.9Q147 A148 Y149 F153 I155Q147-S151 WeakPolarHBondContact O-CB 3.06Å; Q147-S151 PolarHBondContact O-N 3.11Å; Q147-S151 PolarHBondContact O-OG 3.46Å; A148-S151 PolarHBondContact O-N 3.46Å; Y149-S151 VanDerWaalsContact C-N 3.34Å; Y149-S151 PolarHBondContact O-N 3.3Å; S151-F153 VanDerWaalsContact C-N 3.32Å; S151-I155 WeakPolarHBondContact O-CD1 3.44Å; S151-I155 VanDerWaalsContact O-CG1 3.31Å; S151-I155 WeakPolarHBondContact O-CG1 3.45Å; S151-I155 PolarHBondContact O-N 2.91Å
152A98.3Very high97.1Very high0 Ų053.6 Ų53.60%027%0.269CS..Hα-helixtrans-63.2-40.7173.900000111.3V116 L119 A148 Y149 Q150 S156 L170V116-A152 HydrophobicContact CG1-CB 4.31Å; L119-A152 HydrophobicContact CB-CB 3.69Å; A148-A152 WeakPolarHBondContact O-CB 3.27Å; A148-A152 PolarHBondContact O-N 3.11Å; Y149-A152 WeakPolarHBondContact O-CB 3.45Å; Y149-A152 PolarHBondContact O-N 3.48Å; Q150-A152 VanDerWaalsContact C-N 3.33Å; Q150-A152 PolarHBondContact O-N 3.22Å; A152-S156 VanDerWaalsContact O-CB 3.32Å; A152-S156 WeakPolarHBondContact O-CB 3.26Å; A152-S156 PolarHBondContact O-N 3.31Å; A152-S156 PolarHBondContact O-OG 2.94Å; A152-L170 VanDerWaalsContact C-CD2 3.45Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.39Å
153F97.8Very high97.1Very high25 Ų2553 Ų5311%0.1127%0.267CS..Hα-helixtrans-69.3-43.8-174.5-172.3-119.9000111.4Y149 Q150 S151 I155 S156 K157 L170 F174 L191Y149-F153 VanDerWaalsContact O-CB 3.27Å; Y149-F153 WeakPolarHBondContact O-CB 3.18Å; Y149-F153 PolarHBondContact O-N 2.84Å; Q150-F153 WeakPolarHBondContact O-CB 3.43Å; Q150-F153 PolarHBondContact O-N 3.42Å; Q150-F153 VanDerWaalsContact O-N 3.09Å; S151-F153 VanDerWaalsContact C-N 3.32Å; F153-I155 PolarHBondContact O-N 3.48Å; F153-S156 WeakPolarHBondContact CA-OG 3.24Å; F153-S156 PolarHBondContact O-N 3.02Å; F153-S156 PolarHBondContact O-OG 3.36Å; F153-K157 HydrophobicContact CD1-CD 4.37Å; F153-K157 HydrophobicContact CE1-CD 4.18Å; F153-K157 HydrophobicContact CZ-CD 4.48Å; F153-K157 WeakPolarHBondContact O-CG 3.31Å; F153-K157 PolarHBondContact O-N 2.87Å; F153-L170 HydrophobicContact CB-CD2 4.17Å; F153-L170 HydrophobicContact CD2-CD2 4.4Å; F153-F174 HydrophobicContact CB-CD1 4.37Å; F153-F174 HydrophobicContact CB-CE1 4.32Å; F153-F174 HydrophobicContact CG-CD1 4.45Å; F153-L191 HydrophobicContact CE1-CD1 4.23Å; F153-L191 HydrophobicContact CE2-CD1 3.78Å; F153-L191 HydrophobicContact CZ-CD1 3.46Å; F153-L191 VanDerWaalsContact CZ-CD1 3.46Å
154D97.8Very high97Very high81 Ų8149.4 Ų49.443%0.43325%0.249SC..Hα-helixtrans-61.8-43.7178-65.5-22.9000111.5Q150 K157Q150-D154 PolarHBondContact NE2-OD1 3.19Å; Q150-D154 PolarHBondContact NE2-OD2 2.91Å; Q150-D154 VanDerWaalsContact O-CG 3.25Å; Q150-D154 PolarHBondContact O-N 2.92Å; D154-K157 PolarHBondContact O-N 2.81Å
155I97.5Very high96.9Very high41 Ų4148.5 Ų48.521%0.2125%0.246CC..Hα-helixtrans-65.9-44.6174.7-61166.6000110.5P112 K115 V116 L119 S151 F153 K157 T158 E159P112-I155 HydrophobicContact CB-CG2 4.26Å; K115-I155 HydrophobicContact CD-CD1 4.09Å; K115-I155 HydrophobicContact CG-CD1 4.25Å; V116-I155 HydrophobicContact CG2-CB 3.73Å; V116-I155 HydrophobicContact CG2-CG2 3.49Å; V116-I155 VanDerWaalsContact CG2-CG2 3.49Å; L119-I155 HydrophobicContact CD1-CD1 3.77Å; S151-I155 WeakPolarHBondContact O-CD1 3.44Å; S151-I155 VanDerWaalsContact O-CG1 3.31Å; S151-I155 WeakPolarHBondContact O-CG1 3.45Å; S151-I155 PolarHBondContact O-N 2.91Å; F153-I155 PolarHBondContact O-N 3.48Å; I155-K157 PolarHBondContact O-N 2.87Å; I155-T158 PolarHBondContact O-N 3.23Å; I155-T158 VanDerWaalsContact O-N 3.17Å; I155-T158 PolarHBondContact O-OG1 2.78Å; I155-E159 HydrophobicContact CG2-CB 4.44Å; I155-E159 HydrophobicContact CG2-CG 3.91Å; I155-E159 WeakPolarHBondContact O-CB 3.21Å; I155-E159 WeakPolarHBondContact O-CG 3.46Å; I155-E159 PolarHBondContact O-N 3.13Å
156S97.4Very high96.8Very high0 Ų049.6 Ų49.60%025%0.252CS..Hα-helixtrans-62.8-29.8-17874.80000113.2A152 F153 T158 M160 R167A152-S156 VanDerWaalsContact O-CB 3.32Å; A152-S156 WeakPolarHBondContact O-CB 3.26Å; A152-S156 PolarHBondContact O-N 3.31Å; A152-S156 PolarHBondContact O-OG 2.94Å; F153-S156 WeakPolarHBondContact CA-OG 3.24Å; F153-S156 PolarHBondContact O-N 3.02Å; F153-S156 PolarHBondContact O-OG 3.36Å; S156-T158 VanDerWaalsContact C-N 3.34Å; S156-M160 WeakPolarHBondContact O-CB 3.37Å; S156-M160 PolarHBondContact O-N 3.43Å; S156-R167 WeakPolarHBondContact O-CD 3.31Å; S156-R167 PolarHBondContact O-NH1 3.02Å
157K95.2Very high96.7Very high100 Ų10047.7 Ų47.744%0.43524%0.241SC..Hα-helixtrans-68.4-32.6177.7-82.7179.3172.7172.30113.2F153 D154 I155F153-K157 HydrophobicContact CD1-CD 4.37Å; F153-K157 HydrophobicContact CE1-CD 4.18Å; F153-K157 HydrophobicContact CZ-CD 4.48Å; F153-K157 WeakPolarHBondContact O-CG 3.31Å; F153-K157 PolarHBondContact O-N 2.87Å; D154-K157 PolarHBondContact O-N 2.81Å; I155-K157 PolarHBondContact O-N 2.87Å
158T95.3Very high96.7Very high105 Ų10541.7 Ų41.764%0.64421%0.213SC*.Hα-helixtrans-93.9-32-176.661.70000112.4I155 S156I155-T158 PolarHBondContact O-N 3.23Å; I155-T158 VanDerWaalsContact O-N 3.17Å; I155-T158 PolarHBondContact O-OG1 2.78Å; S156-T158 VanDerWaalsContact C-N 3.34Å
159E96.4Very high96.7Very high115 Ų11541.9 Ų41.954%0.53722%0.216SC..Hα-helixtrans-108-4-169.1-53.7-60.4140.700114.5P112 I155P112-E159 HydrophobicContact CB-CB 3.64Å; P112-E159 HydrophobicContact CB-CG 3.73Å; P112-E159 HydrophobicContact CG-CB 4.2Å; P112-E159 HydrophobicContact CG-CG 3.99Å; I155-E159 HydrophobicContact CG2-CB 4.44Å; I155-E159 HydrophobicContact CG2-CG 3.91Å; I155-E159 WeakPolarHBondContact O-CB 3.21Å; I155-E159 WeakPolarHBondContact O-CG 3.46Å; I155-E159 PolarHBondContact O-N 3.13Å
160M94.8Very high96.7Very high11 Ų1141.9 Ų41.95%0.05422%0.216CC..SBendtrans-138.2144.4-175.4-56.2177.2175.700112.2E113 V116 S156 H164 I166 R167E113-M160 HydrophobicContact CB-CE 4.09Å; E113-M160 HydrophobicContact CG-CE 3.88Å; V116-M160 HydrophobicContact CB-CE 3.55Å; V116-M160 HydrophobicContact CB-SD 4.5Å; V116-M160 HydrophobicContact CG1-CE 3.87Å; V116-M160 HydrophobicContact CG1-SD 4.22Å; V116-M160 HydrophobicContact CG2-CE 3.68Å; S156-M160 WeakPolarHBondContact O-CB 3.37Å; S156-M160 PolarHBondContact O-N 3.43Å; M160-H164 HydrophobicContact CB-CB 4.11Å; M160-I166 HydrophobicContact CE-CG2 4.31Å; M160-I166 HydrophobicContact SD-CB 4.42Å; M160-I166 HydrophobicContact SD-CG2 4.48Å; M160-R167 HydrophobicContact CB-CB 4.3Å; M160-R167 PolarHBondContact O-NH1 3.29Å; M160-R167 HydrophobicContact SD-CB 4Å
161E94.8Very high96.7Very high122 Ų12238.9 Ų38.957%0.5720%0.202SC*.  trans-65.7147171-59.6-55.2152.700111.6T163 H164 R167E161-T163 PolarHBondContact O-N 3.17Å; E161-T163 VanDerWaalsContact O-N 3.09Å; E161-H164 WeakPolarHBondContact O-CB 3.41Å; E161-H164 PolarHBondContact O-N 3.42Å; E161-R167 WeakPolarHBondContact O-CD 3.49Å
162P96.1Very high96.7Very high14 Ų1437.5 Ų37.59%0.09119%0.192CC..THydrogen-bonded Turntrans-48.9-32.6174.6-29.534.9000115H164 L168 D198 E202P162-H164 VanDerWaalsContact C-N 3.33Å; P162-L168 WeakPolarHBondContact O-CG 3.44Å; P162-D198 HydrophobicContact CB-CB 3.95Å; P162-D198 HydrophobicContact CG-CB 4.43Å; P162-E202 WeakPolarHBondContact CD-OE2 3.41Å; P162-E202 WeakPolarHBondContact CG-OE2 3.41Å
163T95.4Very high96.6Very high15 Ų1538.9 Ų38.99%0.09220%0.199CC..THydrogen-bonded Turntrans-82-7.3-179.554.20000114E161 L168 A199 E202 L206 S214E161-T163 PolarHBondContact O-N 3.17Å; E161-T163 VanDerWaalsContact O-N 3.09Å; T163-L168 WeakPolarHBondContact O-CD1 3.32Å; T163-A199 HydrophobicContact CG2-CB 4.33Å; T163-A199 WeakPolarHBondContact CG2-O 3.47Å; T163-E202 HydrophobicContact CG2-CB 4Å; T163-L206 VanDerWaalsContact CB-CD1 3.48Å; T163-L206 HydrophobicContact CG2-CD1 3.82Å; T163-L206 HydrophobicContact CG2-CG 4.39Å; T163-S214 WeakPolarHBondContact O-CB 3.34Å; T163-S214 PolarHBondContact O-OG 2.85Å
164H94.9Very high96.7Very high46 Ų4637.8 Ų37.821%0.21319%0.194CC..  trans-65.2127.9-175.6-169.5-77.4000111.5E113 M160 E161 P162 I166 R167 L168E113-H164 IonicContact OE1-NE2 3.81Å; M160-H164 HydrophobicContact CB-CB 4.11Å; E161-H164 WeakPolarHBondContact O-CB 3.41Å; E161-H164 PolarHBondContact O-N 3.42Å; P162-H164 VanDerWaalsContact C-N 3.33Å; H164-I166 VanDerWaalsContact C-N 3.3Å; H164-I166 PolarHBondContact ND1-N 3.19Å; H164-I166 PolarHBondContact O-N 3.25Å; H164-I166 VanDerWaalsContact O-N 3.16Å; H164-R167 HydrophobicContact CB-CB 4.26Å; H164-R167 PolarHBondContact O-N 3.45Å; H164-L168 PolarHBondContact O-N 2.93Å
165P95.1Very high96.7Very high24 Ų2434 Ų3416%0.15617%0.174CC..Hα-helixtrans-54.5-39.6-175-27.932.6000114.6G169 D213 S214 I217P165-G169 PolarHBondContact O-N 2.99Å; P165-D213 HydrophobicContact CB-CB 4.22Å; P165-D213 HydrophobicContact CG-CB 4.05Å; P165-S214 WeakPolarHBondContact CD-OG 3.48Å; P165-S214 WeakPolarHBondContact CG-OG 3.45Å; P165-I217 HydrophobicContact CB-CD1 4.1Å; P165-I217 WeakPolarHBondContact O-CD1 3.43Å
166I95.6Very high96.7Very high24 Ų2432.9 Ų32.912%0.12317%0.169CC..Hα-helixtrans-64.4-41.2177.6-59.3178.2000111.4E113 V116 F117 M160 H164 L170E113-I166 HydrophobicContact CB-CD1 4.32Å; V116-I166 HydrophobicContact CB-CG2 4.39Å; V116-I166 HydrophobicContact CG1-CG2 3.75Å; F117-I166 HydrophobicContact CB-CD1 4.42Å; F117-I166 HydrophobicContact CB-CG2 4.46Å; F117-I166 HydrophobicContact CD2-CD1 4.25Å; F117-I166 HydrophobicContact CD2-CG1 4.49Å; M160-I166 HydrophobicContact CE-CG2 4.31Å; M160-I166 HydrophobicContact SD-CB 4.42Å; M160-I166 HydrophobicContact SD-CG2 4.48Å; H164-I166 VanDerWaalsContact C-N 3.3Å; H164-I166 PolarHBondContact ND1-N 3.19Å; H164-I166 PolarHBondContact O-N 3.25Å; H164-I166 VanDerWaalsContact O-N 3.16Å; I166-L170 WeakPolarHBondContact O-CB 3.33Å; I166-L170 PolarHBondContact O-N 3.48Å
167R97.4Very high96.7Very high33 Ų3332.9 Ų32.913%0.12517%0.169CC..Hα-helixtrans-69.1-43.9179.8179.8174.2170.4174.2-8.8110.9S156 M160 E161 H164 L170 A171S156-R167 WeakPolarHBondContact O-CD 3.31Å; S156-R167 PolarHBondContact O-NH1 3.02Å; M160-R167 HydrophobicContact CB-CB 4.3Å; M160-R167 PolarHBondContact O-NH1 3.29Å; M160-R167 HydrophobicContact SD-CB 4Å; E161-R167 WeakPolarHBondContact O-CD 3.49Å; H164-R167 HydrophobicContact CB-CB 4.26Å; H164-R167 PolarHBondContact O-N 3.45Å; R167-L170 WeakPolarHBondContact O-CB 3.35Å; R167-L170 PolarHBondContact O-N 3.17Å; R167-A171 PolarHBondContact O-N 3Å
168L97.8Very high96.9Very high1 Ų129.1 Ų29.11%0.00515%0.153CC..Hα-helixtrans-61.1-47.3173.9-73.8172.5000111.8P162 T163 H164 L170 A171 L172 A199 I217 M218 L221P162-L168 WeakPolarHBondContact O-CG 3.44Å; T163-L168 WeakPolarHBondContact O-CD1 3.32Å; H164-L168 PolarHBondContact O-N 2.93Å; L168-L170 VanDerWaalsContact C-N 3.27Å; L168-L170 PolarHBondContact O-N 3.24Å; L168-A171 PolarHBondContact O-N 3.48Å; L168-L172 PolarHBondContact O-N 3.17Å; L168-A199 HydrophobicContact CD2-CB 3.81Å; L168-I217 HydrophobicContact CB-CB 4.2Å; L168-I217 HydrophobicContact CB-CD1 4.44Å; L168-I217 HydrophobicContact CB-CG2 3.67Å; L168-M218 HydrophobicContact CD1-CG 4Å; L168-M218 HydrophobicContact CD1-SD 4.45Å; L168-M218 HydrophobicContact CD2-CG 4.24Å; L168-L221 HydrophobicContact CD2-CD1 4.15Å
169G97.6Very high96.9Very high11 Ų1126.4 Ų26.411%0.11313%0.131CC..Hα-helixtrans-64.7-32.4178.900000112.7K120 P165 N173K120-G169 WeakPolarHBondContact CE-O 3.33Å; P165-G169 PolarHBondContact O-N 2.99Å; G169-N173 PolarHBondContact O-N 2.78Å; G169-N173 VanDerWaalsContact O-N 3.13Å
170L98.4Very high96.9Very high0 Ų025.9 Ų25.90%013%0.129CC..Hα-helixtrans-65-49.8170.8169.962.7000111.3V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174V116-L170 HydrophobicContact CG1-CD2 4.02Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.08Å; K120-L170 HydrophobicContact CG-CB 4.32Å; K120-L170 HydrophobicContact CG-CD1 3.94Å; Y149-L170 HydrophobicContact CD1-CD1 3.67Å; Y149-L170 HydrophobicContact CE1-CD1 4.39Å; A152-L170 VanDerWaalsContact C-CD2 3.45Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.39Å; F153-L170 HydrophobicContact CB-CD2 4.17Å; F153-L170 HydrophobicContact CD2-CD2 4.4Å; I166-L170 WeakPolarHBondContact O-CB 3.33Å; I166-L170 PolarHBondContact O-N 3.48Å; R167-L170 WeakPolarHBondContact O-CB 3.35Å; R167-L170 PolarHBondContact O-N 3.17Å; L168-L170 VanDerWaalsContact C-N 3.27Å; L168-L170 PolarHBondContact O-N 3.24Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 3.49Å; L170-N173 PolarHBondContact O-N 3.24Å; L170-F174 VanDerWaalsContact O-CB 3.31Å; L170-F174 WeakPolarHBondContact O-CB 3.32Å; L170-F174 PolarHBondContact O-N 2.86Å
171A98.3Very high96.9Very high3 Ų326.7 Ų26.73%0.02513%0.133CC..Hα-helixtrans-60.1-40.717900000112R167 L168 F174 S175 A195R167-A171 PolarHBondContact O-N 3Å; L168-A171 PolarHBondContact O-N 3.48Å; A171-F174 PolarHBondContact O-N 3.27Å; A171-S175 WeakPolarHBondContact O-CB 3.07Å; A171-S175 PolarHBondContact O-N 3.46Å; A171-S175 PolarHBondContact O-OG 2.96Å; A171-A195 HydrophobicContact CB-CB 3.52Å
172L98.3Very high96.9Very high17 Ų1723.2 Ų23.29%0.08912%0.118CC..Hα-helixtrans-58-50.2173.4176.566.8000112L168 L170 S175 V176 I217 L220 L221 N224L168-L172 PolarHBondContact O-N 3.17Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 3.49Å; L172-S175 PolarHBondContact O-OG 3.45Å; L172-V176 WeakPolarHBondContact O-CG2 3.4Å; L172-V176 PolarHBondContact O-N 3Å; L172-I217 HydrophobicContact CB-CG2 4.36Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; L172-L220 HydrophobicContact CD1-CB 4.14Å; L172-L220 HydrophobicContact CD2-CB 3.91Å; L172-L220 HydrophobicContact CD2-CD1 3.94Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.23Å; L172-L221 HydrophobicContact CD1-CD2 3.89Å; L172-L221 HydrophobicContact CD1-CG 4.09Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.47Å
173N97.8Very high96.8Very high29 Ų2929.1 Ų29.116%0.15515%0.149CC..Hα-helixtrans-73.1-32.5-177.2-75.412.3000112.4K120 D124 Y149 G169 L170 F177K120-N173 PolarHBondContact NZ-ND2 3.4Å; D124-N173 WeakPolarHBondContact OD1-CB 3.4Å; D124-N173 PolarHBondContact OD1-ND2 3.44Å; D124-N173 PolarHBondContact OD2-ND2 3.22Å; Y149-N173 HydrophobicContact CE1-CB 4.06Å; G169-N173 PolarHBondContact O-N 2.78Å; G169-N173 VanDerWaalsContact O-N 3.13Å; L170-N173 PolarHBondContact O-N 3.24Å; N173-F177 PolarHBondContact O-N 3.48Å
174F98.6Very high96.9Very high2 Ų230.1 Ų30.11%0.00916%0.156CC..Hα-helixtrans-73.7-34.1178.2-165-169.1000111.7Q146 Y149 Q150 F153 L170 A171 F177 F178 L191Q146-F174 HydrophobicContact CG-CE2 4.5Å; Y149-F174 VanDerWaalsContact CB-CD2 3.49Å; Y149-F174 HydrophobicContact CD1-CB 4.24Å; Y149-F174 HydrophobicContact CD1-CG 4.49Å; Y149-F174 AromaticContact CD2-CD2 3.83Å; Y149-F174 HydrophobicContact CD2-CD2 3.83Å; Y149-F174 HydrophobicContact CD2-CE2 4.28Å; Y149-F174 HydrophobicContact CD2-CG 4.47Å; Y149-F174 HydrophobicContact CG-CB 4.21Å; Y149-F174 AromaticContact CG-CD2 3.78Å; Y149-F174 HydrophobicContact CG-CD2 3.78Å; Y149-F174 HydrophobicContact CG-CE2 4.27Å; Y149-F174 HydrophobicContact CG-CG 4.01Å; Q150-F174 HydrophobicContact CB-CZ 4.45Å; F153-F174 HydrophobicContact CB-CD1 4.37Å; F153-F174 HydrophobicContact CB-CE1 4.32Å; F153-F174 HydrophobicContact CG-CD1 4.45Å; L170-F174 VanDerWaalsContact O-CB 3.31Å; L170-F174 WeakPolarHBondContact O-CB 3.32Å; L170-F174 PolarHBondContact O-N 2.86Å; A171-F174 PolarHBondContact O-N 3.27Å; F174-F177 HydrophobicContact CD2-CB 4.31Å; F174-F177 AromaticContact CD2-CD1 3.87Å; F174-F177 HydrophobicContact CD2-CD1 3.87Å; F174-F177 HydrophobicContact CD2-CG 4.45Å; F174-F177 AromaticContact CE2-CD1 3.82Å; F174-F177 HydrophobicContact CE2-CD1 3.82Å; F174-F177 HydrophobicContact CE2-CE1 4.26Å; F174-F177 WeakPolarHBondContact O-CB 3.45Å; F174-F177 PolarHBondContact O-N 3.42Å; F174-F178 HydrophobicContact CD1-CE2 4.17Å; F174-F178 AromaticContact CD2-CD2 3.95Å; F174-F178 HydrophobicContact CD2-CD2 3.95Å; F174-F178 AromaticContact CD2-CE2 3.56Å; F174-F178 HydrophobicContact CD2-CE2 3.56Å; F174-F178 HydrophobicContact CD2-CZ 4.23Å; F174-F178 AromaticContact CE1-CE2 3.97Å; F174-F178 HydrophobicContact CE1-CE2 3.97Å; F174-F178 HydrophobicContact CE1-CZ 4.36Å; F174-F178 HydrophobicContact CE2-CD2 4.08Å; F174-F178 HydrophobicContact CE2-CE1 4.43Å; F174-F178 AromaticContact CE2-CE2 3.32Å; F174-F178 HydrophobicContact CE2-CE2 3.32Å; F174-F178 AromaticContact CE2-CZ 3.53Å; F174-F178 HydrophobicContact CE2-CZ 3.53Å; F174-F178 HydrophobicContact CG-CD2 4.42Å; F174-F178 AromaticContact CG-CE2 3.99Å; F174-F178 HydrophobicContact CG-CE2 3.99Å; F174-F178 AromaticContact CZ-CE2 3.56Å; F174-F178 HydrophobicContact CZ-CE2 3.56Å; F174-F178 AromaticContact CZ-CZ 3.61Å; F174-F178 HydrophobicContact CZ-CZ 3.61Å; F174-F178 WeakPolarHBondContact O-CD2 3.02Å; F174-F178 PolarHBondContact O-N 2.9Å; F174-L191 HydrophobicContact CB-CD2 3.87Å; F174-L191 HydrophobicContact CD1-CD2 3.86Å; F174-L191 HydrophobicContact CG-CD2 3.88Å
175S98.3Very high96.9Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-65.7-42.6171.865.80000111.6A171 L172 F177 F178 Y179 A188A171-S175 WeakPolarHBondContact O-CB 3.07Å; A171-S175 PolarHBondContact O-N 3.46Å; A171-S175 PolarHBondContact O-OG 2.96Å; L172-S175 PolarHBondContact O-OG 3.45Å; S175-F177 VanDerWaalsContact C-N 3.28Å; S175-F177 PolarHBondContact O-N 2.87Å; S175-F178 PolarHBondContact O-N 3.5Å; S175-F178 VanDerWaalsContact O-N 3.13Å; S175-Y179 PolarHBondContact O-N 2.8Å; S175-A188 WeakPolarHBondContact CB-O 3.48Å; S175-A188 WeakPolarHBondContact O-CB 3.27Å
176V97.6Very high96.9Very high18 Ų1834.6 Ų34.611%0.10918%0.182CC..Hα-helixtrans-58.6-40.2172.5172.40000111.2L172 Y179 E180 N224 W228L172-V176 WeakPolarHBondContact O-CG2 3.4Å; L172-V176 PolarHBondContact O-N 3Å; V176-Y179 PolarHBondContact O-N 2.97Å; V176-E180 HydrophobicContact CG1-CG 4.02Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.49Å; V176-E180 WeakPolarHBondContact O-CB 3.38Å; V176-E180 PolarHBondContact O-N 3.18Å; V176-N224 WeakPolarHBondContact CG2-ND2 3.4Å; V176-W228 HydrophobicContact CG2-CH2 4.13Å; V176-W228 HydrophobicContact CG2-CZ2 4.04Å
177F98.2Very high97Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-60.4-46174172.1-97.4000112.4R127 I142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182R127-F177 HydrophobicContact CB-CD2 4.33Å; R127-F177 HydrophobicContact CG-CD2 4.34Å; I142-F177 HydrophobicContact CG2-CE2 4.33Å; I142-F177 HydrophobicContact CG2-CZ 3.91Å; S145-F177 WeakPolarHBondContact OG-CD2 3.39Å; S145-F177 WeakPolarHBondContact OG-CE2 3.48Å; Q146-F177 HydrophobicContact CB-CE1 3.72Å; Q146-F177 HydrophobicContact CB-CZ 3.76Å; Q146-F177 HydrophobicContact CG-CE1 4.02Å; Y149-F177 HydrophobicContact CD2-CB 4.2Å; Y149-F177 HydrophobicContact CD2-CD1 4.39Å; Y149-F177 HydrophobicContact CD2-CD2 4.44Å; Y149-F177 HydrophobicContact CD2-CG 4.09Å; Y149-F177 HydrophobicContact CE2-CB 3.8Å; Y149-F177 HydrophobicContact CE2-CD2 4.12Å; Y149-F177 AromaticContact CE2-CG 3.97Å; Y149-F177 HydrophobicContact CE2-CG 3.97Å; N173-F177 PolarHBondContact O-N 3.48Å; F174-F177 HydrophobicContact CD2-CB 4.31Å; F174-F177 AromaticContact CD2-CD1 3.87Å; F174-F177 HydrophobicContact CD2-CD1 3.87Å; F174-F177 HydrophobicContact CD2-CG 4.45Å; F174-F177 AromaticContact CE2-CD1 3.82Å; F174-F177 HydrophobicContact CE2-CD1 3.82Å; F174-F177 HydrophobicContact CE2-CE1 4.26Å; F174-F177 WeakPolarHBondContact O-CB 3.45Å; F174-F177 PolarHBondContact O-N 3.42Å; S175-F177 VanDerWaalsContact C-N 3.28Å; S175-F177 PolarHBondContact O-N 2.87Å; F177-Y179 VanDerWaalsContact C-N 3.28Å; F177-Y179 PolarHBondContact O-N 3.42Å; F177-I181 HydrophobicContact CD2-CB 3.76Å; F177-I181 HydrophobicContact CD2-CG1 3.77Å; F177-I181 HydrophobicContact CD2-CG2 4.07Å; F177-I181 HydrophobicContact CE2-CB 3.84Å; F177-I181 HydrophobicContact CE2-CG1 4.21Å; F177-I181 HydrophobicContact CE2-CG2 3.63Å; F177-I181 HydrophobicContact CG-CB 4.47Å; F177-I181 HydrophobicContact CZ-CG2 4.34Å; F177-I181 WeakPolarHBondContact O-CA 3.32Å; F177-I181 VanDerWaalsContact O-CB 3.29Å; F177-I181 WeakPolarHBondContact O-CB 3.41Å; F177-I181 PolarHBondContact O-N 2.9Å; F177-L182 HydrophobicContact CD1-CD1 4.14Å; F177-L182 HydrophobicContact CD1-CG 4.33Å; F177-L182 HydrophobicContact CE1-CD1 3.42Å; F177-L182 VanDerWaalsContact CE1-CD1 3.42Å; F177-L182 HydrophobicContact CE1-CD2 4.42Å; F177-L182 HydrophobicContact CE1-CG 3.66Å; F177-L182 HydrophobicContact CZ-CD1 4.06Å; F177-L182 HydrophobicContact CZ-CD2 4.24Å; F177-L182 HydrophobicContact CZ-CG 3.89Å; F177-L182 PolarHBondContact O-N 2.99Å
178F98Very high97Very high22 Ų2237.5 Ų37.510%0.09620%0.195CC..Hα-helixtrans-60.4-39.5175.9-79.2-64.8000112.2F174 S175 L182 N183 S184 K187 A188 L191F174-F178 HydrophobicContact CD1-CE2 4.17Å; F174-F178 AromaticContact CD2-CD2 3.95Å; F174-F178 HydrophobicContact CD2-CD2 3.95Å; F174-F178 AromaticContact CD2-CE2 3.56Å; F174-F178 HydrophobicContact CD2-CE2 3.56Å; F174-F178 HydrophobicContact CD2-CZ 4.23Å; F174-F178 AromaticContact CE1-CE2 3.97Å; F174-F178 HydrophobicContact CE1-CE2 3.97Å; F174-F178 HydrophobicContact CE1-CZ 4.36Å; F174-F178 HydrophobicContact CE2-CD2 4.08Å; F174-F178 HydrophobicContact CE2-CE1 4.43Å; F174-F178 AromaticContact CE2-CE2 3.32Å; F174-F178 HydrophobicContact CE2-CE2 3.32Å; F174-F178 AromaticContact CE2-CZ 3.53Å; F174-F178 HydrophobicContact CE2-CZ 3.53Å; F174-F178 HydrophobicContact CG-CD2 4.42Å; F174-F178 AromaticContact CG-CE2 3.99Å; F174-F178 HydrophobicContact CG-CE2 3.99Å; F174-F178 AromaticContact CZ-CE2 3.56Å; F174-F178 HydrophobicContact CZ-CE2 3.56Å; F174-F178 AromaticContact CZ-CZ 3.61Å; F174-F178 HydrophobicContact CZ-CZ 3.61Å; F174-F178 WeakPolarHBondContact O-CD2 3.02Å; F174-F178 PolarHBondContact O-N 2.9Å; S175-F178 PolarHBondContact O-N 3.5Å; S175-F178 VanDerWaalsContact O-N 3.13Å; F178-L182 HydrophobicContact CD1-CD1 3.62Å; F178-L182 HydrophobicContact CE1-CD1 3.71Å; F178-L182 CarbonylContact O-C 3.47Å; F178-N183 PolarHBondContact O-N 3.18Å; F178-S184 PolarHBondContact O-N 3.42Å; F178-K187 HydrophobicContact CB-CB 4.44Å; F178-K187 HydrophobicContact CD1-CB 4.11Å; F178-K187 HydrophobicContact CD1-CD 4.26Å; F178-K187 HydrophobicContact CE1-CD 4.23Å; F178-K187 HydrophobicContact CG-CB 4.19Å; F178-A188 HydrophobicContact CB-CB 3.82Å; F178-L191 HydrophobicContact CD2-CD2 3.94Å; F178-L191 HydrophobicContact CE2-CD2 3.92Å
179Y96.8Very high96.9Very high47 Ų4738.6 Ų38.618%0.18420%0.202CC..Hα-helixtrans-71.9-61.3-179.6-164.8-92.2000111.9S175 V176 F177 N183 P185 A188 W228 D231S175-Y179 PolarHBondContact O-N 2.8Å; V176-Y179 PolarHBondContact O-N 2.97Å; F177-Y179 VanDerWaalsContact C-N 3.28Å; F177-Y179 PolarHBondContact O-N 3.42Å; Y179-N183 WeakPolarHBondContact O-CA 3.44Å; Y179-N183 PolarHBondContact O-N 3.4Å; Y179-P185 HydrophobicContact CD2-CB 3.86Å; Y179-P185 HydrophobicContact CE2-CB 3.74Å; Y179-A188 HydrophobicContact CD2-CB 4.18Å; Y179-A188 HydrophobicContact CG-CB 4.49Å; Y179-W228 AromaticContact CD1-CD1 3.93Å; Y179-W228 AromaticContact CD1-CE2 3.99Å; Y179-W228 HydrophobicContact CD1-CZ2 4.5Å; Y179-W228 AromaticContact CD1-NE1 3.52Å; Y179-W228 HydrophobicContact CD2-CB 4.19Å; Y179-W228 AromaticContact CD2-CD1 3.72Å; Y179-W228 AromaticContact CD2-CD2 3.62Å; Y179-W228 HydrophobicContact CD2-CD2 3.62Å; Y179-W228 AromaticContact CD2-CE2 3.78Å; Y179-W228 HydrophobicContact CD2-CE3 4.23Å; Y179-W228 AromaticContact CD2-CG 3.59Å; Y179-W228 HydrophobicContact CD2-CG 3.59Å; Y179-W228 HydrophobicContact CD2-CZ2 4.48Å; Y179-W228 AromaticContact CD2-NE1 3.81Å; Y179-W228 AromaticContact CE1-CD1 3.53Å; Y179-W228 HydrophobicContact CE1-CG 4.34Å; Y179-W228 AromaticContact CE1-NE1 3.55Å; Y179-W228 HydrophobicContact CE2-CB 3.61Å; Y179-W228 AromaticContact CE2-CD1 3.32Å; Y179-W228 AromaticContact CE2-CD2 3.91Å; Y179-W228 HydrophobicContact CE2-CD2 3.91Å; Y179-W228 AromaticContact CE2-CG 3.32Å; Y179-W228 HydrophobicContact CE2-CG 3.32Å; Y179-W228 AromaticContact CE2-NE1 3.86Å; Y179-W228 HydrophobicContact CG-CD2 4.02Å; Y179-W228 AromaticContact CG-CE2 3.66Å; Y179-W228 HydrophobicContact CG-CG 4.23Å; Y179-W228 HydrophobicContact CG-CZ2 4.06Å; Y179-W228 AromaticContact CG-NE1 3.65Å; Y179-W228 AromaticContact CZ-CD1 3.2Å; Y179-W228 AromaticContact CZ-CG 3.73Å; Y179-W228 AromaticContact CZ-NE1 3.72Å; Y179-D231 PolarHBondContact OH-OD2 2.92Å
180E94.4Very high96.9Very high105 Ų10544.7 Ų44.749%0.49123%0.228SC..Hα-helixtrans-80.1-29.6-168.6-63.8-174.5167.100113.6V176V176-E180 HydrophobicContact CG1-CG 4.02Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.49Å; V176-E180 WeakPolarHBondContact O-CB 3.38Å; V176-E180 PolarHBondContact O-N 3.18Å
181I95.6Very high96.9Very high27 Ų2745.7 Ų45.714%0.13823%0.233CC..THydrogen-bonded Turntrans-105.6-45.8-172-53.3-59.7000112.3R127 A130 E131 I142 F177R127-I181 HydrophobicContact CG-CD1 4.13Å; R127-I181 HydrophobicContact CG-CG1 3.86Å; A130-I181 HydrophobicContact CB-CD1 4.43Å; A130-I181 HydrophobicContact CB-CG2 4.14Å; E131-I181 HydrophobicContact CG-CD1 3.95Å; I142-I181 HydrophobicContact CB-CG2 4.41Å; I142-I181 HydrophobicContact CD1-CG2 3.8Å; I142-I181 HydrophobicContact CG1-CG2 3.57Å; I142-I181 HydrophobicContact CG2-CG2 4.15Å; F177-I181 HydrophobicContact CD2-CB 3.76Å; F177-I181 HydrophobicContact CD2-CG1 3.77Å; F177-I181 HydrophobicContact CD2-CG2 4.07Å; F177-I181 HydrophobicContact CE2-CB 3.84Å; F177-I181 HydrophobicContact CE2-CG1 4.21Å; F177-I181 HydrophobicContact CE2-CG2 3.63Å; F177-I181 HydrophobicContact CG-CB 4.47Å; F177-I181 HydrophobicContact CZ-CG2 4.34Å; F177-I181 WeakPolarHBondContact O-CA 3.32Å; F177-I181 VanDerWaalsContact O-CB 3.29Å; F177-I181 WeakPolarHBondContact O-CB 3.41Å; F177-I181 PolarHBondContact O-N 2.9Å
182L94.8Very high96.9Very high49 Ų4945.6 Ų45.626%0.25723%0.232SC..THydrogen-bonded Turntrans-90.5-2.7180-68-175.8000113.8I142 F177 F178 S184I142-L182 HydrophobicContact CG2-CD2 3.42Å; I142-L182 VanDerWaalsContact CG2-CD2 3.42Å; I142-L182 HydrophobicContact CG2-CG 4.47Å; F177-L182 HydrophobicContact CD1-CD1 4.14Å; F177-L182 HydrophobicContact CD1-CG 4.33Å; F177-L182 HydrophobicContact CE1-CD1 3.42Å; F177-L182 VanDerWaalsContact CE1-CD1 3.42Å; F177-L182 HydrophobicContact CE1-CD2 4.42Å; F177-L182 HydrophobicContact CE1-CG 3.66Å; F177-L182 HydrophobicContact CZ-CD1 4.06Å; F177-L182 HydrophobicContact CZ-CD2 4.24Å; F177-L182 HydrophobicContact CZ-CG 3.89Å; F177-L182 PolarHBondContact O-N 2.99Å; F178-L182 HydrophobicContact CD1-CD1 3.62Å; F178-L182 HydrophobicContact CE1-CD1 3.71Å; F178-L182 CarbonylContact O-C 3.47Å; L182-S184 PolarHBondContact O-N 3.37Å; L182-S184 VanDerWaalsContact O-N 3.13Å; L182-S184 PolarHBondContact O-OG 2.92Å; L182-S184 VanDerWaalsContact O-OG 3.07Å
183N94.6Very high96.8Very high139 Ų13950.6 Ų50.674%0.74325%0.253SS*.  trans4842.4-177.7-165.550.8000112F178 Y179 P185F178-N183 PolarHBondContact O-N 3.18Å; Y179-N183 WeakPolarHBondContact O-CA 3.44Å; Y179-N183 PolarHBondContact O-N 3.4Å; N183-P185 VanDerWaalsContact O-CD 3.29Å; N183-P185 WeakPolarHBondContact O-CD 3.45Å
184S96.4Very high96.8Very high36 Ų3654 Ų5425%0.25227%0.266SS..  trans-119.169.1-175.8-66.10000109.6F178 L182 D186 K187 A188F178-S184 PolarHBondContact O-N 3.42Å; L182-S184 PolarHBondContact O-N 3.37Å; L182-S184 VanDerWaalsContact O-N 3.13Å; L182-S184 PolarHBondContact O-OG 2.92Å; L182-S184 VanDerWaalsContact O-OG 3.07Å; S184-D186 VanDerWaalsContact C-N 3.31Å; S184-D186 PolarHBondContact O-N 3.34Å; S184-K187 PolarHBondContact O-N 2.87Å; S184-A188 PolarHBondContact O-N 2.85Å; S184-A188 VanDerWaalsContact O-N 3.11Å
185P95.8Very high96.8Very high29 Ų2954.6 Ų54.619%0.18827%0.271CS..Hα-helixtrans-60.8-37.3-172.324.5-34.4000112.9Y179 N183 K187 A188 C189Y179-P185 HydrophobicContact CD2-CB 3.86Å; Y179-P185 HydrophobicContact CE2-CB 3.74Å; N183-P185 VanDerWaalsContact O-CD 3.29Å; N183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-K187 PolarHBondContact O-N 3.2Å; P185-A188 WeakPolarHBondContact O-CB 3.12Å; P185-A188 PolarHBondContact O-N 2.9Å; P185-C189 WeakPolarHBondContact O-CB 3.46Å; P185-C189 PolarHBondContact O-N 3.41Å; P185-C189 PolarHBondContact O-SG 3.04Å; P185-C189 VanDerWaalsContact O-SG 3.42Å
186D95.3Very high96.7Very high135 Ų13556.6 Ų56.672%0.72228%0.28SS*.Hα-helixtrans-58.1-47177.5-62.4-28.6000111.9S184 A188 C189 E190S184-D186 VanDerWaalsContact C-N 3.31Å; S184-D186 PolarHBondContact O-N 3.34Å; D186-A188 PolarHBondContact O-N 2.78Å; D186-C189 PolarHBondContact O-N 3.37Å; D186-E190 WeakPolarHBondContact O-CB 3.49Å; D186-E190 PolarHBondContact O-N 3.45Å
187K96.6Very high96.7Very high118 Ų11859.5 Ų59.551%0.51330%0.295SS..Hα-helixtrans-66.5-37.4177.8-70.5-175.8178.5176.40112.1F178 S184 P185 L191F178-K187 HydrophobicContact CB-CB 4.44Å; F178-K187 HydrophobicContact CD1-CB 4.11Å; F178-K187 HydrophobicContact CD1-CD 4.26Å; F178-K187 HydrophobicContact CE1-CD 4.23Å; F178-K187 HydrophobicContact CG-CB 4.19Å; S184-K187 PolarHBondContact O-N 2.87Å; P185-K187 PolarHBondContact O-N 3.2Å; K187-L191 WeakPolarHBondContact O-CB 3.43Å; K187-L191 PolarHBondContact O-N 3.01Å
188A97.3Very high96.6Very high0 Ų061.7 Ų61.70%031%0.307CS..Hα-helixtrans-62.7-48.7176.500000111.2S175 F178 Y179 S184 P185 D186 L191 A192 W228S175-A188 WeakPolarHBondContact CB-O 3.48Å; S175-A188 WeakPolarHBondContact O-CB 3.27Å; F178-A188 HydrophobicContact CB-CB 3.82Å; Y179-A188 HydrophobicContact CD2-CB 4.18Å; Y179-A188 HydrophobicContact CG-CB 4.49Å; S184-A188 PolarHBondContact O-N 2.85Å; S184-A188 VanDerWaalsContact O-N 3.11Å; P185-A188 WeakPolarHBondContact O-CB 3.12Å; P185-A188 PolarHBondContact O-N 2.9Å; D186-A188 PolarHBondContact O-N 2.78Å; A188-L191 PolarHBondContact O-N 3.16Å; A188-A192 WeakPolarHBondContact O-CB 3.17Å; A188-A192 PolarHBondContact O-N 3.33Å; A188-W228 HydrophobicContact CB-CE3 4.23Å; A188-W228 HydrophobicContact CB-CH2 4.41Å; A188-W228 HydrophobicContact CB-CZ3 3.92Å
189C97Very high96.5Very high24 Ų2460.7 Ų60.716%0.16230%0.303CS..Hα-helixtrans-64.4-43.8177.6-71.10000111.9P185 D186 L191 A192 K193 L225P185-C189 WeakPolarHBondContact O-CB 3.46Å; P185-C189 PolarHBondContact O-N 3.41Å; P185-C189 PolarHBondContact O-SG 3.04Å; P185-C189 VanDerWaalsContact O-SG 3.42Å; D186-C189 PolarHBondContact O-N 3.37Å; C189-L191 PolarHBondContact O-N 3.34Å; C189-A192 PolarHBondContact O-N 2.83Å; C189-K193 WeakPolarHBondContact O-CB 3.27Å; C189-K193 PolarHBondContact O-N 2.74Å; C189-L225 HydrophobicContact CB-CD2 4.11Å; C189-L225 WeakPolarHBondContact O-CD2 3.46Å
190E97.5Very high96.4Very high139 Ų13962.5 Ų62.565%0.6532%0.315SS*.Hα-helixtrans-58-49.3176.2-174.5-172.6168.200111.2D186 K194D186-E190 WeakPolarHBondContact O-CB 3.49Å; D186-E190 PolarHBondContact O-N 3.45Å; E190-K194 VanDerWaalsContact O-CB 3.27Å; E190-K194 WeakPolarHBondContact O-CB 3.34Å; E190-K194 PolarHBondContact O-N 3.01Å
191L97.9Very high96.4Very high21 Ų2161.2 Ų61.211%0.1132%0.322CS..Hα-helixtrans-64.1-47.2-179.7179.560.9000112F153 F174 F178 K187 A188 C189 A195F153-L191 HydrophobicContact CE1-CD1 4.23Å; F153-L191 HydrophobicContact CE2-CD1 3.78Å; F153-L191 HydrophobicContact CZ-CD1 3.46Å; F153-L191 VanDerWaalsContact CZ-CD1 3.46Å; F174-L191 HydrophobicContact CB-CD2 3.87Å; F174-L191 HydrophobicContact CD1-CD2 3.86Å; F174-L191 HydrophobicContact CG-CD2 3.88Å; F178-L191 HydrophobicContact CD2-CD2 3.94Å; F178-L191 HydrophobicContact CE2-CD2 3.92Å; K187-L191 WeakPolarHBondContact O-CB 3.43Å; K187-L191 PolarHBondContact O-N 3.01Å; A188-L191 PolarHBondContact O-N 3.16Å; C189-L191 PolarHBondContact O-N 3.34Å; L191-A195 WeakPolarHBondContact O-CB 3.5Å; L191-A195 PolarHBondContact O-N 3.27Å
192A97.9Very high96.3Very high0 Ų062.7 Ų62.70%033%0.328CS..Hα-helixtrans-64.7-43.7-179.600000111.7A188 C189 A195 F196 L221 L225 W228A188-A192 WeakPolarHBondContact O-CB 3.17Å; A188-A192 PolarHBondContact O-N 3.33Å; C189-A192 PolarHBondContact O-N 2.83Å; A192-A195 PolarHBondContact O-N 3.37Å; A192-F196 WeakPolarHBondContact O-CB 3.35Å; A192-F196 PolarHBondContact O-N 3.16Å; A192-L221 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.88Å; A192-L225 HydrophobicContact CB-CG 3.96Å; A192-W228 HydrophobicContact CB-CZ3 4.23Å
193K97.3Very high96Very high123 Ų12361.9 Ų61.954%0.53532%0.324SS..Hα-helixtrans-63.8-47.2177.8-176.6176.1-179.7-178.70111.2C189 A195 F196 D197 L225C189-K193 WeakPolarHBondContact O-CB 3.27Å; C189-K193 PolarHBondContact O-N 2.74Å; K193-A195 VanDerWaalsContact C-N 3.34Å; K193-A195 PolarHBondContact O-N 2.8Å; K193-F196 PolarHBondContact O-N 3.05Å; K193-D197 WeakPolarHBondContact CG-OD2 3.47Å; K193-D197 WeakPolarHBondContact O-CB 3.29Å; K193-D197 VanDerWaalsContact O-CG 3.31Å; K193-D197 PolarHBondContact O-N 2.91Å; K193-L225 HydrophobicContact CB-CD1 4.17Å; K193-L225 HydrophobicContact CB-CD2 4.2Å
194K97.7Very high95.7Very high100 Ų10063.2 Ų63.244%0.43533%0.331SS..Hα-helixtrans-58.9-46.2177.9-171.7-173.7-172.8-42.90111.6E190 F196 D197 D198E190-K194 VanDerWaalsContact O-CB 3.27Å; E190-K194 WeakPolarHBondContact O-CB 3.34Å; E190-K194 PolarHBondContact O-N 3.01Å; K194-F196 VanDerWaalsContact C-N 3.31Å; K194-F196 PolarHBondContact O-N 3.16Å; K194-D197 PolarHBondContact O-N 2.61Å; K194-D198 IonicContact NZ-OD1 3.14Å; K194-D198 PolarHBondContact NZ-OD1 3.46Å; K194-D198 IonicContact NZ-OD2 3.94Å; K194-D198 PolarHBondContact NZ-OD2 3Å; K194-D198 VanDerWaalsContact O-CB 3.31Å; K194-D198 WeakPolarHBondContact O-CB 3.4Å; K194-D198 PolarHBondContact O-N 2.67Å
195A97.6Very high95.1Very high14 Ų1468.8 Ų68.812%0.11635%0.353CS..Hα-helixtrans-63.1-38.2178.800000112.4A171 L191 A192 K193 A199 L221A171-A195 HydrophobicContact CB-CB 3.52Å; L191-A195 WeakPolarHBondContact O-CB 3.5Å; L191-A195 PolarHBondContact O-N 3.27Å; A192-A195 PolarHBondContact O-N 3.37Å; K193-A195 VanDerWaalsContact C-N 3.34Å; K193-A195 PolarHBondContact O-N 2.8Å; A195-A199 VanDerWaalsContact O-CB 3.31Å; A195-A199 WeakPolarHBondContact O-CB 3.44Å; A195-A199 PolarHBondContact O-N 3.04Å; A195-L221 HydrophobicContact CB-CD1 4.28Å
196F97.3Very high94.6Very high42 Ų4268.8 Ų68.818%0.18435%0.352CS..Hα-helixtrans-65.9-49.7175.4-174.4-88.8000111.8A192 K193 K194 A199 I200 M218 L221 R222A192-F196 WeakPolarHBondContact O-CB 3.35Å; A192-F196 PolarHBondContact O-N 3.16Å; K193-F196 PolarHBondContact O-N 3.05Å; K194-F196 VanDerWaalsContact C-N 3.31Å; K194-F196 PolarHBondContact O-N 3.16Å; F196-A199 PolarHBondContact O-N 3.41Å; F196-I200 HydrophobicContact CD1-CG1 3.95Å; F196-I200 HydrophobicContact CE1-CD1 4.13Å; F196-I200 HydrophobicContact CE1-CG1 3.61Å; F196-I200 HydrophobicContact CZ-CD1 4.09Å; F196-I200 HydrophobicContact CZ-CG1 4.02Å; F196-I200 WeakPolarHBondContact O-CG1 3.43Å; F196-I200 PolarHBondContact O-N 2.62Å; F196-M218 HydrophobicContact CD2-CB 4.09Å; F196-M218 WeakPolarHBondContact CD2-O 3.36Å; F196-M218 HydrophobicContact CE2-CB 4.03Å; F196-M218 HydrophobicContact CE2-CE 4.44Å; F196-M218 WeakPolarHBondContact CE2-O 3.38Å; F196-L221 HydrophobicContact CD2-CB 4.41Å; F196-R222 HydrophobicContact CD2-CB 4.43Å; F196-R222 HydrophobicContact CE2-CB 3.98Å
197D97.3Very high93.8Very high80 Ų8069.7 Ų69.743%0.42835%0.351SS..Hα-helixtrans-64.9-44.3-178.3-68.8-16.2000111.6K193 K194 A199 I200 A201K193-D197 WeakPolarHBondContact CG-OD2 3.47Å; K193-D197 WeakPolarHBondContact O-CB 3.29Å; K193-D197 VanDerWaalsContact O-CG 3.31Å; K193-D197 PolarHBondContact O-N 2.91Å; K194-D197 PolarHBondContact O-N 2.61Å; D197-A199 VanDerWaalsContact C-N 3.3Å; D197-A199 PolarHBondContact O-N 3.45Å; D197-I200 PolarHBondContact O-N 3.23Å; D197-A201 PolarHBondContact O-N 2.91Å; D197-A201 VanDerWaalsContact O-N 3.11Å
198D95.9Very high92.9Very high46 Ų4672.5 Ų72.525%0.24637%0.366CS..Hα-helixtrans-58.3-42.6175.3-69-10.7000110.6P162 K194 A201P162-D198 HydrophobicContact CB-CB 3.95Å; P162-D198 HydrophobicContact CG-CB 4.43Å; K194-D198 IonicContact NZ-OD1 3.14Å; K194-D198 PolarHBondContact NZ-OD1 3.46Å; K194-D198 IonicContact NZ-OD2 3.94Å; K194-D198 PolarHBondContact NZ-OD2 3Å; K194-D198 VanDerWaalsContact O-CB 3.31Å; K194-D198 WeakPolarHBondContact O-CB 3.4Å; K194-D198 PolarHBondContact O-N 2.67Å; D198-A201 PolarHBondContact O-N 3.4Å
199A95.6Very high92Very high0 Ų081.3 Ų81.30%041%0.407CS..Hα-helixtrans-74-33.7-179.200000113.3T163 L168 A195 F196 D197 A201 E202 L203 M218T163-A199 HydrophobicContact CG2-CB 4.33Å; T163-A199 WeakPolarHBondContact CG2-O 3.47Å; L168-A199 HydrophobicContact CD2-CB 3.81Å; A195-A199 VanDerWaalsContact O-CB 3.31Å; A195-A199 WeakPolarHBondContact O-CB 3.44Å; A195-A199 PolarHBondContact O-N 3.04Å; F196-A199 PolarHBondContact O-N 3.41Å; D197-A199 VanDerWaalsContact C-N 3.3Å; D197-A199 PolarHBondContact O-N 3.45Å; A199-A201 VanDerWaalsContact C-N 3.31Å; A199-E202 PolarHBondContact O-N 2.86Å; A199-L203 PolarHBondContact O-N 2.94Å; A199-M218 HydrophobicContact CB-CE 3.9Å; A199-M218 HydrophobicContact CB-CG 4.35Å; A199-M218 HydrophobicContact CB-SD 3.94Å
200I94.9Very high91.4Very high85 Ų8582.3 Ų82.344%0.43642%0.415SS..Hα-helixtrans-62.2-41172.9-74.9-70.2000110.9F196 D197 E202 L203 M218F196-I200 HydrophobicContact CD1-CG1 3.95Å; F196-I200 HydrophobicContact CE1-CD1 4.13Å; F196-I200 HydrophobicContact CE1-CG1 3.61Å; F196-I200 HydrophobicContact CZ-CD1 4.09Å; F196-I200 HydrophobicContact CZ-CG1 4.02Å; F196-I200 WeakPolarHBondContact O-CG1 3.43Å; F196-I200 PolarHBondContact O-N 2.62Å; D197-I200 PolarHBondContact O-N 3.23Å; I200-E202 PolarHBondContact O-N 3.21Å; I200-E202 VanDerWaalsContact O-N 3.14Å; I200-L203 HydrophobicContact CD1-CD2 4.46Å; I200-L203 PolarHBondContact O-N 3.09Å; I200-M218 HydrophobicContact CB-CE 4.49Å; I200-M218 HydrophobicContact CD1-CE 3.44Å; I200-M218 VanDerWaalsContact CD1-CE 3.44Å; I200-M218 HydrophobicContact CG1-CE 3.59Å
201A94.8Very high91Very high79 Ų7980.8 Ų80.865%0.65340%0.404SS*.Hα-helixtrans-61.4-23-178.800000113.5D197 D198 A199D197-A201 PolarHBondContact O-N 2.91Å; D197-A201 VanDerWaalsContact O-N 3.11Å; D198-A201 PolarHBondContact O-N 3.4Å; A199-A201 VanDerWaalsContact C-N 3.31Å
202E93.3Very high90.6Very high57 Ų5787.7 Ų87.727%0.26643%0.433SS..THydrogen-bonded Turntrans-1219-175.3-63.9178.3-162.300113.1P162 T163 A199 I200 D204 Q205P162-E202 WeakPolarHBondContact CD-OE2 3.41Å; P162-E202 WeakPolarHBondContact CG-OE2 3.41Å; T163-E202 HydrophobicContact CG2-CB 4Å; A199-E202 PolarHBondContact O-N 2.86Å; I200-E202 PolarHBondContact O-N 3.21Å; I200-E202 VanDerWaalsContact O-N 3.14Å; E202-D204 PolarHBondContact O-N 3.16Å; E202-Q205 WeakPolarHBondContact O-CB 3.29Å; E202-Q205 PolarHBondContact O-N 3Å
203L88.8Confident90.4Very high33 Ų3392.2 Ų92.217%0.17346%0.457CS..G310 helixtrans-61.6-30.4-175.3-166.971.4000112.8A199 I200 Q205 L206 Y211 T215 M218A199-L203 PolarHBondContact O-N 2.94Å; I200-L203 HydrophobicContact CD1-CD2 4.46Å; I200-L203 PolarHBondContact O-N 3.09Å; L203-Q205 PolarHBondContact O-N 3.02Å; L203-L206 HydrophobicContact CD1-CD1 3.79Å; L203-L206 WeakPolarHBondContact O-CB 3.38Å; L203-L206 PolarHBondContact O-N 3.36Å; L203-Y211 HydrophobicContact CD1-CE2 4.47Å; L203-Y211 HydrophobicContact CG-CE2 4.31Å; L203-T215 HydrophobicContact CD1-CG2 4.19Å; L203-M218 HydrophobicContact CD1-CE 4.2Å; L203-M218 HydrophobicContact CD1-SD 3.82Å
204D87.4Confident90.2Very high167 Ų16786.3 Ų86.389%0.89343%0.432SS*.G310 helixtrans-68.3-15.4179-67.5-26.3000113.3E202E202-D204 PolarHBondContact O-N 3.16Å
205Q84.5Confident90Very high152 Ų15283.6 Ų83.671%0.7142%0.423SS*.G310 helixtrans-93.9-2.8-179-55.4-176.426.400113E202 L203E202-Q205 WeakPolarHBondContact O-CB 3.29Å; E202-Q205 PolarHBondContact O-N 3Å; L203-Q205 PolarHBondContact O-N 3.02Å
206L84.1Confident90Very high29 Ų2988 Ų8815%0.15245%0.445CS..  trans-75.7133.3-171.9-128.5159.6000111.9T163 L203 Y211T163-L206 VanDerWaalsContact CB-CD1 3.48Å; T163-L206 HydrophobicContact CG2-CD1 3.82Å; T163-L206 HydrophobicContact CG2-CG 4.39Å; L203-L206 HydrophobicContact CD1-CD1 3.79Å; L203-L206 WeakPolarHBondContact O-CB 3.38Å; L203-L206 PolarHBondContact O-N 3.36Å; L206-Y211 HydrophobicContact CB-CD2 4.28Å
207H78.8Confident89.9Confident155 Ų15587.4 Ų87.472%0.71844%0.443SS*.  trans-69.3146.3172.1-66.1-65.4000112E209 S210 Y211H207-E209 PolarHBondContact O-N 3Å; H207-E209 VanDerWaalsContact O-N 3.13Å; H207-S210 PolarHBondContact O-N 2.66Å; H207-S210 VanDerWaalsContact O-N 3.12Å; H207-Y211 PolarHBondContact O-N 3.1Å; H207-Y211 VanDerWaalsContact O-N 3.1Å
208E77.4Confident89.9Confident177 Ų17783.9 Ų83.983%0.82742%0.424SS*.Hα-helixtrans-56.7-33.7-174.6-164176.4-17700113.3S210 Y211E208-S210 PolarHBondContact O-N 3.38Å; E208-Y211 PolarHBondContact O-N 3.21Å
209E78.9Confident90Very high184 Ų18484.6 Ų84.686%0.8643%0.426SS*.Hα-helixtrans-65.9-35.9-179.9-67.4-173.1169.600113.4H207H207-E209 PolarHBondContact O-N 3Å; H207-E209 VanDerWaalsContact O-N 3.13Å
210S84.5Confident90.1Very high46 Ų4688.2 Ų88.232%0.32245%0.445SS..Hα-helixtrans-95.5-12.4179.7-65.10000113.1H207 E208 K212 D213 S214H207-S210 PolarHBondContact O-N 2.66Å; H207-S210 VanDerWaalsContact O-N 3.12Å; E208-S210 PolarHBondContact O-N 3.38Å; S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 3.27Å; S210-D213 PolarHBondContact O-N 2.9Å; S210-S214 WeakPolarHBondContact O-CB 3.31Å; S210-S214 PolarHBondContact O-N 2.97Å; S210-S214 PolarHBondContact O-OG 3.14Å
211Y89.3Confident90.2Very high107 Ų10784.1 Ų84.142%0.4242%0.424SS..Hα-helixtrans-57.4-44.4-174.6-173-89.2000112.5L203 L206 H207 E208 T215L203-Y211 HydrophobicContact CD1-CE2 4.47Å; L203-Y211 HydrophobicContact CG-CE2 4.31Å; L206-Y211 HydrophobicContact CB-CD2 4.28Å; H207-Y211 PolarHBondContact O-N 3.1Å; H207-Y211 VanDerWaalsContact O-N 3.1Å; E208-Y211 PolarHBondContact O-N 3.21Å; Y211-T215 HydrophobicContact CD1-CG2 4.07Å; Y211-T215 HydrophobicContact CE1-CG2 3.75Å; Y211-T215 HydrophobicContact CE2-CG2 4.22Å; Y211-T215 HydrophobicContact CG-CG2 4.44Å; Y211-T215 WeakPolarHBondContact O-CB 3.22Å; Y211-T215 VanDerWaalsContact O-CG2 3.26Å; Y211-T215 WeakPolarHBondContact O-CG2 3.45Å; Y211-T215 PolarHBondContact O-N 3.19Å; Y211-T215 PolarHBondContact O-OG1 2.66Å
212K90.7Very high90.3Very high165 Ų16586.3 Ų86.372%0.71742%0.415SS*.Hα-helixtrans-64.9-42.8-179.2-67-175.2-178.6175.10112.2S210 T215 L216S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 3.27Å; K212-T215 PolarHBondContact O-OG1 3.39Å; K212-L216 VanDerWaalsContact O-CB 3.29Å; K212-L216 WeakPolarHBondContact O-CB 3.45Å; K212-L216 PolarHBondContact O-N 2.93Å; K212-L216 VanDerWaalsContact O-N 3.09Å
213D91.9Very high90.5Very high95 Ų9587.1 Ų87.151%0.50842%0.421SS..Hα-helixtrans-70.9-45-178.4-71.6-8.9000111.1P165 S210 L216 I217P165-D213 HydrophobicContact CB-CB 4.22Å; P165-D213 HydrophobicContact CG-CB 4.05Å; S210-D213 PolarHBondContact O-N 2.9Å; D213-L216 PolarHBondContact O-N 3.31Å; D213-I217 VanDerWaalsContact O-CG1 3.29Å; D213-I217 WeakPolarHBondContact O-CG1 3.47Å; D213-I217 PolarHBondContact O-N 3.34Å; D213-I217 VanDerWaalsContact O-N 3.09Å
214S94.2Very high90.8Very high0 Ų087.2 Ų87.20%042%0.422CS..Hα-helixtrans-62.9-47178.3-61.60000111.9T163 P165 S210 L216 I217 M218T163-S214 WeakPolarHBondContact O-CB 3.34Å; T163-S214 PolarHBondContact O-OG 2.85Å; P165-S214 WeakPolarHBondContact CD-OG 3.48Å; P165-S214 WeakPolarHBondContact CG-OG 3.45Å; S210-S214 WeakPolarHBondContact O-CB 3.31Å; S210-S214 PolarHBondContact O-N 2.97Å; S210-S214 PolarHBondContact O-OG 3.14Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.49Å; S214-I217 PolarHBondContact O-N 3.5Å; S214-M218 VanDerWaalsContact O-CG 3.26Å; S214-M218 WeakPolarHBondContact O-CG 3.31Å; S214-M218 PolarHBondContact O-N 3.01Å
215T94.2Very high91.2Very high43 Ų4380.6 Ų80.626%0.26439%0.386SS..Hα-helixtrans-65.5-36179.552.80000112.6L203 Y211 K212 M218 Q219L203-T215 HydrophobicContact CD1-CG2 4.19Å; Y211-T215 HydrophobicContact CD1-CG2 4.07Å; Y211-T215 HydrophobicContact CE1-CG2 3.75Å; Y211-T215 HydrophobicContact CE2-CG2 4.22Å; Y211-T215 HydrophobicContact CG-CG2 4.44Å; Y211-T215 WeakPolarHBondContact O-CB 3.22Å; Y211-T215 VanDerWaalsContact O-CG2 3.26Å; Y211-T215 WeakPolarHBondContact O-CG2 3.45Å; Y211-T215 PolarHBondContact O-N 3.19Å; Y211-T215 PolarHBondContact O-OG1 2.66Å; K212-T215 PolarHBondContact O-OG1 3.39Å; T215-M218 PolarHBondContact O-N 3.43Å; T215-Q219 WeakPolarHBondContact O-CB 3.42Å; T215-Q219 PolarHBondContact O-N 3.37Å
216L95.6Very high91.7Very high107 Ų10777.5 Ų77.556%0.5638%0.378SS*.Hα-helixtrans-61.9-43.3172.9179.462.8000111.6K212 D213 S214 Q219 L220K212-L216 VanDerWaalsContact O-CB 3.29Å; K212-L216 WeakPolarHBondContact O-CB 3.45Å; K212-L216 PolarHBondContact O-N 2.93Å; K212-L216 VanDerWaalsContact O-N 3.09Å; D213-L216 PolarHBondContact O-N 3.31Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.49Å; L216-Q219 WeakPolarHBondContact O-CB 3.45Å; L216-Q219 PolarHBondContact O-N 2.91Å; L216-L220 WeakPolarHBondContact O-CG 3.26Å; L216-L220 PolarHBondContact O-N 2.94Å
217I96.9Very high92.2Very high28 Ų2880.5 Ų80.514%0.14439%0.394CS..Hα-helixtrans-70.3-39.1179.1-61.2164.3000111.2P165 L168 L172 D213 S214 Q219 L220 L221P165-I217 HydrophobicContact CB-CD1 4.1Å; P165-I217 WeakPolarHBondContact O-CD1 3.43Å; L168-I217 HydrophobicContact CB-CB 4.2Å; L168-I217 HydrophobicContact CB-CD1 4.44Å; L168-I217 HydrophobicContact CB-CG2 3.67Å; L172-I217 HydrophobicContact CB-CG2 4.36Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; D213-I217 VanDerWaalsContact O-CG1 3.29Å; D213-I217 WeakPolarHBondContact O-CG1 3.47Å; D213-I217 PolarHBondContact O-N 3.34Å; D213-I217 VanDerWaalsContact O-N 3.09Å; S214-I217 PolarHBondContact O-N 3.5Å; I217-Q219 VanDerWaalsContact C-N 3.25Å; I217-Q219 PolarHBondContact O-N 2.84Å; I217-L220 WeakPolarHBondContact O-CB 3.5Å; I217-L220 PolarHBondContact O-N 3.22Å; I217-L220 VanDerWaalsContact O-N 3.14Å; I217-L221 PolarHBondContact O-N 3.27Å
218M97.2Very high92.9Very high7 Ų773.4 Ų73.43%0.03436%0.361CS..Hα-helixtrans-60.3-38173.6-69.6169.272.100111.6L168 F196 A199 I200 L203 S214 T215 L220 L221 R222L168-M218 HydrophobicContact CD1-CG 4Å; L168-M218 HydrophobicContact CD1-SD 4.45Å; L168-M218 HydrophobicContact CD2-CG 4.24Å; F196-M218 HydrophobicContact CD2-CB 4.09Å; F196-M218 WeakPolarHBondContact CD2-O 3.36Å; F196-M218 HydrophobicContact CE2-CB 4.03Å; F196-M218 HydrophobicContact CE2-CE 4.44Å; F196-M218 WeakPolarHBondContact CE2-O 3.38Å; A199-M218 HydrophobicContact CB-CE 3.9Å; A199-M218 HydrophobicContact CB-CG 4.35Å; A199-M218 HydrophobicContact CB-SD 3.94Å; I200-M218 HydrophobicContact CB-CE 4.49Å; I200-M218 HydrophobicContact CD1-CE 3.44Å; I200-M218 VanDerWaalsContact CD1-CE 3.44Å; I200-M218 HydrophobicContact CG1-CE 3.59Å; L203-M218 HydrophobicContact CD1-CE 4.2Å; L203-M218 HydrophobicContact CD1-SD 3.82Å; S214-M218 VanDerWaalsContact O-CG 3.26Å; S214-M218 WeakPolarHBondContact O-CG 3.31Å; S214-M218 PolarHBondContact O-N 3.01Å; T215-M218 PolarHBondContact O-N 3.43Å; M218-L220 VanDerWaalsContact C-N 3.35Å; M218-L220 PolarHBondContact O-N 3Å; M218-L221 WeakPolarHBondContact O-CB 3.26Å; M218-L221 PolarHBondContact O-N 3.09Å; M218-R222 PolarHBondContact O-N 2.9Å
219Q96.9Very high93.4Very high60 Ų6069 Ų6928%0.2835%0.346SS..Hα-helixtrans-59.6-45.6173.6-17856.454.100111.5T215 L216 I217 L221 R222 D223T215-Q219 WeakPolarHBondContact O-CB 3.42Å; T215-Q219 PolarHBondContact O-N 3.37Å; L216-Q219 WeakPolarHBondContact O-CB 3.45Å; L216-Q219 PolarHBondContact O-N 2.91Å; I217-Q219 VanDerWaalsContact C-N 3.25Å; I217-Q219 PolarHBondContact O-N 2.84Å; Q219-L221 PolarHBondContact O-N 3.42Å; Q219-R222 VanDerWaalsContact NE2-CZ 3.32Å; Q219-R222 WeakPolarHBondContact O-CB 3.35Å; Q219-R222 PolarHBondContact O-N 3.36Å; Q219-D223 VanDerWaalsContact NE2-CG 3.33Å; Q219-D223 PolarHBondContact NE2-OD1 3.48Å; Q219-D223 PolarHBondContact NE2-OD2 2.9Å; Q219-D223 PolarHBondContact O-N 3.4Å
220L97.4Very high93.8Very high76 Ų7663.7 Ų63.740%0.39833%0.329SS..Hα-helixtrans-64.1-38.1177.2-65.1173000112.6L172 L216 I217 M218 R222 D223 N224L172-L220 HydrophobicContact CD1-CB 4.14Å; L172-L220 HydrophobicContact CD2-CB 3.91Å; L172-L220 HydrophobicContact CD2-CD1 3.94Å; L216-L220 WeakPolarHBondContact O-CG 3.26Å; L216-L220 PolarHBondContact O-N 2.94Å; I217-L220 WeakPolarHBondContact O-CB 3.5Å; I217-L220 PolarHBondContact O-N 3.22Å; I217-L220 VanDerWaalsContact O-N 3.14Å; M218-L220 VanDerWaalsContact C-N 3.35Å; M218-L220 PolarHBondContact O-N 3Å; L220-R222 VanDerWaalsContact C-N 3.34Å; L220-D223 PolarHBondContact O-N 3.28Å; L220-N224 PolarHBondContact O-N 3.41Å
221L97.4Very high93.3Very high0 Ų066.1 Ų66.10%034%0.338CS..Hα-helixtrans-60.2-45.1173-78166.8000111.3L168 L172 A192 A195 F196 I217 M218 Q219 N224 L225L168-L221 HydrophobicContact CD2-CD1 4.15Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.23Å; L172-L221 HydrophobicContact CD1-CD2 3.89Å; L172-L221 HydrophobicContact CD1-CG 4.09Å; A192-L221 HydrophobicContact CB-CD2 3.84Å; A195-L221 HydrophobicContact CB-CD1 4.28Å; F196-L221 HydrophobicContact CD2-CB 4.41Å; I217-L221 PolarHBondContact O-N 3.27Å; M218-L221 WeakPolarHBondContact O-CB 3.26Å; M218-L221 PolarHBondContact O-N 3.09Å; Q219-L221 PolarHBondContact O-N 3.42Å; L221-N224 PolarHBondContact O-N 2.85Å; L221-L225 WeakPolarHBondContact O-CG 3.46Å; L221-L225 PolarHBondContact O-N 2.61Å
222R96.8Very high92.1Very high124 Ų12465.2 Ų65.247%0.46834%0.341SS..Hα-helixtrans-63.5-41.1176.6-172.6-177.174.6179.54.5112.3F196 M218 Q219 L220 L225 T226F196-R222 HydrophobicContact CD2-CB 4.43Å; F196-R222 HydrophobicContact CE2-CB 3.98Å; M218-R222 PolarHBondContact O-N 2.9Å; Q219-R222 VanDerWaalsContact NE2-CZ 3.32Å; Q219-R222 WeakPolarHBondContact O-CB 3.35Å; Q219-R222 PolarHBondContact O-N 3.36Å; L220-R222 VanDerWaalsContact C-N 3.34Å; R222-L225 PolarHBondContact O-N 2.92Å; R222-T226 PolarHBondContact O-N 2.68Å; R222-T226 PolarHBondContact O-OG1 3.19Å
223D97.3Very high90.5Very high74 Ų7460.1 Ų60.140%0.39633%0.329SS..Hα-helixtrans-64.1-44.8179.3-66.1-18.4000110.6Q219 L220 T226 L227Q219-D223 VanDerWaalsContact NE2-CG 3.33Å; Q219-D223 PolarHBondContact NE2-OD1 3.48Å; Q219-D223 PolarHBondContact NE2-OD2 2.9Å; Q219-D223 PolarHBondContact O-N 3.4Å; L220-D223 PolarHBondContact O-N 3.28Å; D223-T226 PolarHBondContact O-N 2.96Å; D223-L227 PolarHBondContact O-N 2.99Å
224N95.5Very high88.6Confident35 Ų3561 Ų6119%0.18734%0.34CS..Hα-helixtrans-60.4-46.5173.9-800.5000112.2L172 V176 L220 L221 T226 L227 W228L172-N224 WeakPolarHBondContact CD1-ND2 3.47Å; V176-N224 WeakPolarHBondContact CG2-ND2 3.4Å; L220-N224 PolarHBondContact O-N 3.41Å; L221-N224 PolarHBondContact O-N 2.85Å; N224-T226 VanDerWaalsContact C-N 3.28Å; N224-T226 PolarHBondContact O-N 3.44Å; N224-L227 PolarHBondContact O-N 3.2Å; N224-W228 HydrophobicContact CB-CD2 4.23Å; N224-W228 HydrophobicContact CB-CE3 4.19Å; N224-W228 HydrophobicContact CB-CH2 3.78Å; N224-W228 HydrophobicContact CB-CZ2 3.79Å; N224-W228 HydrophobicContact CB-CZ3 3.98Å; N224-W228 WeakPolarHBondContact O-CB 3.5Å; N224-W228 VanDerWaalsContact O-CD2 3.27Å; N224-W228 PolarHBondContact O-N 3.43Å
225L95.3Very high86.5Confident28 Ų2870 Ų7015%0.14738%0.383CS..Hα-helixtrans-59.1-40.6176.8-75.7168.1000112.2C189 A192 K193 L221 R222 T229C189-L225 HydrophobicContact CB-CD2 4.11Å; C189-L225 WeakPolarHBondContact O-CD2 3.46Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.88Å; A192-L225 HydrophobicContact CB-CG 3.96Å; K193-L225 HydrophobicContact CB-CD1 4.17Å; K193-L225 HydrophobicContact CB-CD2 4.2Å; L221-L225 WeakPolarHBondContact O-CG 3.46Å; L221-L225 PolarHBondContact O-N 2.61Å; R222-L225 PolarHBondContact O-N 2.92Å; L225-T229 WeakPolarHBondContact O-CB 3.35Å; L225-T229 VanDerWaalsContact O-CG2 3.27Å; L225-T229 WeakPolarHBondContact O-CG2 3.39Å; L225-T229 PolarHBondContact O-N 3.19Å; L225-T229 PolarHBondContact O-OG1 3.18Å
226T95.3Very high84Confident87 Ų8777.1 Ų77.153%0.53441%0.413SS..Hα-helixtrans-63.6-47.4178-56.20000110.5R222 D223 N224 T229 S230R222-T226 PolarHBondContact O-N 2.68Å; R222-T226 PolarHBondContact O-OG1 3.19Å; D223-T226 PolarHBondContact O-N 2.96Å; N224-T226 VanDerWaalsContact C-N 3.28Å; N224-T226 PolarHBondContact O-N 3.44Å; T226-T229 PolarHBondContact O-OG1 3.24Å; T226-S230 PolarHBondContact O-N 3.31Å; T226-S230 VanDerWaalsContact O-N 3.1Å; T226-S230 PolarHBondContact O-OG 3.46Å
227L94.1Very high81.4Confident92 Ų9275.1 Ų75.148%0.48242%0.418SS..Hα-helixtrans-61.6-47.8178.3-177.566.3000112D223 N224 T229 S230 D231D223-L227 PolarHBondContact O-N 2.99Å; N224-L227 PolarHBondContact O-N 3.2Å; L227-T229 VanDerWaalsContact C-N 3.35Å; L227-T229 PolarHBondContact O-N 3.48Å; L227-S230 PolarHBondContact O-N 2.7Å; L227-S230 PolarHBondContact O-OG 3.09Å; L227-D231 PolarHBondContact O-N 3.19Å
228W94.6Very high78.8Confident7 Ų781.6 Ų81.63%0.02745%0.453CS..Hα-helixtrans-73.1-26.6-175.8-60-22.2000113.4V176 Y179 A188 A192 N224 N232V176-W228 HydrophobicContact CG2-CH2 4.13Å; V176-W228 HydrophobicContact CG2-CZ2 4.04Å; Y179-W228 AromaticContact CD1-CD1 3.93Å; Y179-W228 AromaticContact CD1-CE2 3.99Å; Y179-W228 HydrophobicContact CD1-CZ2 4.5Å; Y179-W228 AromaticContact CD1-NE1 3.52Å; Y179-W228 HydrophobicContact CD2-CB 4.19Å; Y179-W228 AromaticContact CD2-CD1 3.72Å; Y179-W228 AromaticContact CD2-CD2 3.62Å; Y179-W228 HydrophobicContact CD2-CD2 3.62Å; Y179-W228 AromaticContact CD2-CE2 3.78Å; Y179-W228 HydrophobicContact CD2-CE3 4.23Å; Y179-W228 AromaticContact CD2-CG 3.59Å; Y179-W228 HydrophobicContact CD2-CG 3.59Å; Y179-W228 HydrophobicContact CD2-CZ2 4.48Å; Y179-W228 AromaticContact CD2-NE1 3.81Å; Y179-W228 AromaticContact CE1-CD1 3.53Å; Y179-W228 HydrophobicContact CE1-CG 4.34Å; Y179-W228 AromaticContact CE1-NE1 3.55Å; Y179-W228 HydrophobicContact CE2-CB 3.61Å; Y179-W228 AromaticContact CE2-CD1 3.32Å; Y179-W228 AromaticContact CE2-CD2 3.91Å; Y179-W228 HydrophobicContact CE2-CD2 3.91Å; Y179-W228 AromaticContact CE2-CG 3.32Å; Y179-W228 HydrophobicContact CE2-CG 3.32Å; Y179-W228 AromaticContact CE2-NE1 3.86Å; Y179-W228 HydrophobicContact CG-CD2 4.02Å; Y179-W228 AromaticContact CG-CE2 3.66Å; Y179-W228 HydrophobicContact CG-CG 4.23Å; Y179-W228 HydrophobicContact CG-CZ2 4.06Å; Y179-W228 AromaticContact CG-NE1 3.65Å; Y179-W228 AromaticContact CZ-CD1 3.2Å; Y179-W228 AromaticContact CZ-CG 3.73Å; Y179-W228 AromaticContact CZ-NE1 3.72Å; A188-W228 HydrophobicContact CB-CE3 4.23Å; A188-W228 HydrophobicContact CB-CH2 4.41Å; A188-W228 HydrophobicContact CB-CZ3 3.92Å; A192-W228 HydrophobicContact CB-CZ3 4.23Å; N224-W228 HydrophobicContact CB-CD2 4.23Å; N224-W228 HydrophobicContact CB-CE3 4.19Å; N224-W228 HydrophobicContact CB-CH2 3.78Å; N224-W228 HydrophobicContact CB-CZ2 3.79Å; N224-W228 HydrophobicContact CB-CZ3 3.98Å; N224-W228 WeakPolarHBondContact O-CB 3.5Å; N224-W228 VanDerWaalsContact O-CD2 3.27Å; N224-W228 PolarHBondContact O-N 3.43Å; W228-N232 PolarHBondContact O-N 3.11Å; W228-N232 PolarHBondContact O-ND2 3.05Å
229T88Confident76Confident84 Ų8485.5 Ų85.552%0.51549%0.486SS..Hα-helixtrans-81.1-29.2175.251.50000112.2L225 T226 L227 A233L225-T229 WeakPolarHBondContact O-CB 3.35Å; L225-T229 VanDerWaalsContact O-CG2 3.27Å; L225-T229 WeakPolarHBondContact O-CG2 3.39Å; L225-T229 PolarHBondContact O-N 3.19Å; L225-T229 PolarHBondContact O-OG1 3.18Å; T226-T229 PolarHBondContact O-OG1 3.24Å; L227-T229 VanDerWaalsContact C-N 3.35Å; L227-T229 PolarHBondContact O-N 3.48Å; T229-A233 PolarHBondContact O-N 3.2Å
230S86.3Confident73.2Confident72 Ų7285.8 Ų85.850%0.50351%0.505SS..Hα-helixtrans-70.5-39169.756.40000112.8T226 L227 N232 A233T226-S230 PolarHBondContact O-N 3.31Å; T226-S230 VanDerWaalsContact O-N 3.1Å; T226-S230 PolarHBondContact O-OG 3.46Å; L227-S230 PolarHBondContact O-N 2.7Å; L227-S230 PolarHBondContact O-OG 3.09Å; S230-N232 VanDerWaalsContact C-N 3.26Å; S230-N232 PolarHBondContact O-N 3.34Å; S230-A233 PolarHBondContact O-N 3.34Å
231D74.8Confident70.4Confident97 Ų9791.9 Ų91.952%0.51953%0.532SS..Hα-helixtrans-67.1-27.2178.9-74.4-6.2000112.7Y179 L227Y179-D231 PolarHBondContact OH-OD2 2.92Å; L227-D231 PolarHBondContact O-N 3.19Å
232N64.4Low67.5Low88 Ų8895.1 Ų95.147%0.47157%0.565SS.*THydrogen-bonded Turntrans-98.13.1-179.8-71-51.7000113.7W228 S230W228-N232 PolarHBondContact O-N 3.11Å; W228-N232 PolarHBondContact O-ND2 3.05Å; S230-N232 VanDerWaalsContact C-N 3.26Å; S230-N232 PolarHBondContact O-N 3.34Å
233A57.1Low64.9Low58 Ų5898.6 Ų98.648%0.47959%0.586SS.*SBendtrans-65127.6171.600000108.1T229 S230 E235T229-A233 PolarHBondContact O-N 3.2Å; S230-A233 PolarHBondContact O-N 3.34Å; A233-E235 PolarHBondContact O-N 3.04Å; A233-E235 VanDerWaalsContact O-N 3.16Å
234P52.6Low62Low113 Ų113100.3 Ų100.373%0.73461%0.611SS**  trans-56.1127.9169.923.8-30.9000107.1E236P234-E236 PolarHBondContact O-N 3.36Å
235E48.9Very low59.2Low191 Ų191101.8 Ų101.889%0.89364%0.635SS**  trans-50.5109.4165.8-74.9-168.1164.600105.7A233 G237A233-E235 PolarHBondContact O-N 3.04Å; A233-E235 VanDerWaalsContact O-N 3.16Å; E235-G237 PolarHBondContact O-N 3.14Å
236E42.6Very low56.6Low192 Ų192109.5 Ų109.590%0.89767%0.67SS**  trans-60.2100.2170.2-79-170.4166.500105.1P234 N238P234-E236 PolarHBondContact O-N 3.36Å; E236-N238 PolarHBondContact O-N 3.12Å
237G40.2Very low53.8Low65 Ų65111.9 Ų111.967%0.6769%0.685SS**  trans-49.7121.2176.800000106.9E235 A239E235-G237 PolarHBondContact O-N 3.14Å; G237-A239 PolarHBondContact O-N 3.13Å
238N42.8Very low51.2Low164 Ų164115.9 Ų115.988%0.87770%0.701SS**  trans-54.485.5168.1-166.822.2000107.4E236 G240E236-N238 PolarHBondContact O-N 3.12Å; N238-G240 PolarHBondContact O-N 3.1Å
239A38.4Very low48.5Very low89 Ų89126.9 Ų126.974%0.73676%0.76SS**  trans-68.4103.3175.100000105.1G237 E241G237-A239 PolarHBondContact O-N 3.13Å; A239-E241 PolarHBondContact O-N 3.32Å
240G37.9Very low46.5Very low66 Ų66129.1 Ų129.168%0.6877%0.773SS**  trans-49.4126.9-17700000111.4N238 G242N238-G240 PolarHBondContact O-N 3.1Å; G240-G242 PolarHBondContact O-N 3.24Å
241E39.3Very low44.4Very low204 Ų204132.1 Ų132.195%0.95379%0.787SS**  trans-64.392.3152.9-73.6-174.3157.300106.9A239A239-E241 PolarHBondContact O-N 3.32Å
242G35.3Very low42.7Very low68 Ų68134 Ų13470%0.70180%0.802SS**  trans-62.9129.6167.100000110.1G240G240-G242 PolarHBondContact O-N 3.24Å
243E41.7Very low41.4Very low196 Ų196136.7 Ų136.792%0.91682%0.821SS**  trans2.3118.1151.7-66.6176.4150.700117
244A36.4Very low40.5Very low111 Ų111141.6 Ų141.692%0.91784%0.842SS**  trans-121.773.7147.200000108.5
245G36.3Very low39.7Very low66 Ų66143.5 Ų143.568%0.6885%0.85SS**  trans-87.2119.116100000109.9
246E40.8Very low39Very low190 Ų190140.1 Ų140.189%0.88885%0.847SS**  trans36.8122.2144.9-63.9-179.6158.800120.7
247T38.3Very low38.7Very low137 Ų137136.2 Ų136.284%0.8484%0.843SS**  trans-145.7111.6135.1420000111.7
248E37.7Very low38.6Very low176 Ų176142.1 Ų142.182%0.82286%0.857SS**  trans20.2120.2141.3-61.7177.4146.100121.3
249N38.3Very low38.2Very low238 Ų238140.1 Ų140.1100%1.27386%0.855SS**  176.50106.4-94.6-29.6000112

Retrieved 249 of 249 residues in 836 ms (Link to these results)

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