1433B_HUMAN Loading...

Isoform Short of 14-3-3 protein beta/alpha

Canonical isoform description: Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif. Binding generally results in the modulation of the activity of the binding partner. Negative regulator of osteogenesis. Blocks the nuclear translocation of the phosphorylated form (by AKT1) of SRPK2 and antagonizes its stimulatory effect on cyclin D1 expression resulting in blockage of neuronal apoptosis elicited by SRPK2. Negative regulator of signaling cascades that mediate activation of MAP kinases via AKAP13.

AlphaFold DB (A0A6P4WQC3), UniProt , Accession P31946-2 (canonical: P31946), Species HUMAN (Homo sapiens, Human), Gene YWHAB, Length 244 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
1M69.1Low93.7Very high155 Ų15569.4 Ų69.476%0.76435%0.348SS*.  0135.30-81.1175.5-84.900106.6E5 L6M1-E5 VanDerWaalsContact CA-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.3Å; M1-L6 HydrophobicContact CB-CD1 4.4Å; M1-L6 HydrophobicContact CB-CD2 3.86Å; M1-L6 HydrophobicContact CB-CG 3.82Å; M1-L6 HydrophobicContact CE-CD2 4Å; M1-L6 HydrophobicContact CG-CD2 4.49Å; M1-L6 HydrophobicContact SD-CD2 3.86Å
2D91.2Very high94.1Very high101 Ų10171.5 Ų71.554%0.5436%0.36SS..  trans-67.2155.7174.9178.836.3000110.5S4 E5 L6D2-S4 PolarHBondContact O-N 2.93Å; D2-E5 HydrophobicContact CB-CG 4.15Å; D2-E5 PolarHBondContact N-OE2 2.81Å; D2-E5 WeakPolarHBondContact O-CB 3.42Å; D2-E5 PolarHBondContact O-N 3.44Å; D2-E5 VanDerWaalsContact O-N 3.14Å; D2-L6 PolarHBondContact O-N 2.83Å; D2-L6 VanDerWaalsContact O-N 3.09Å
3K93.3Very high94.4Very high44 Ų4466.6 Ų66.619%0.19134%0.338CS..Hα-helixtrans-53.6-44.3179-166.5-173.1-178.2-161.80111E5 L6 V7 V29 E40K3-E5 PolarHBondContact O-N 3.08Å; K3-L6 PolarHBondContact O-N 2.99Å; K3-V7 WeakPolarHBondContact O-CG2 3.43Å; K3-V7 PolarHBondContact O-N 3.31Å; K3-V29 HydrophobicContact CD-CG1 4.47Å; K3-V29 HydrophobicContact CG-CG1 4.01Å; K3-E40 VanDerWaalsContact CE-CD 3.47Å; K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 WeakPolarHBondContact CE-OE2 3.47Å; K3-E40 IonicContact NZ-OE1 3.54Å; K3-E40 PolarHBondContact NZ-OE1 3.49Å; K3-E40 IonicContact NZ-OE2 3.47Å; K3-E40 PolarHBondContact NZ-OE2 3.44Å
4S94.5Very high94.6Very high83 Ų8366.9 Ų66.958%0.5834%0.337SS*.Hα-helixtrans-62-41.8-180-176.50000112.3D2 V7 Q8D2-S4 PolarHBondContact O-N 2.93Å; S4-V7 PolarHBondContact O-N 3.41Å; S4-Q8 WeakPolarHBondContact O-CB 3.3Å; S4-Q8 PolarHBondContact O-N 3.08Å
5E96.1Very high94.8Very high111 Ų11172.8 Ų72.852%0.51936%0.363SS..Hα-helixtrans-64.4-41.4177.3-63.8176.7152.500111.7M1 D2 K3 Q8 K9M1-E5 VanDerWaalsContact CA-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.3Å; D2-E5 HydrophobicContact CB-CG 4.15Å; D2-E5 PolarHBondContact N-OE2 2.81Å; D2-E5 WeakPolarHBondContact O-CB 3.42Å; D2-E5 PolarHBondContact O-N 3.44Å; D2-E5 VanDerWaalsContact O-N 3.14Å; K3-E5 PolarHBondContact O-N 3.08Å; E5-Q8 PolarHBondContact O-N 3.46Å; E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 PolarHBondContact O-N 2.94Å
6L97.2Very high95Very high9 Ų972.1 Ų72.15%0.04737%0.372CS..Hα-helixtrans-66.3-42.8178.1-70.3169.9000111.9M1 D2 K3 Q8 K9 A10 A28 V29M1-L6 HydrophobicContact CB-CD1 4.4Å; M1-L6 HydrophobicContact CB-CD2 3.86Å; M1-L6 HydrophobicContact CB-CG 3.82Å; M1-L6 HydrophobicContact CE-CD2 4Å; M1-L6 HydrophobicContact CG-CD2 4.49Å; M1-L6 HydrophobicContact SD-CD2 3.86Å; D2-L6 PolarHBondContact O-N 2.83Å; D2-L6 VanDerWaalsContact O-N 3.09Å; K3-L6 PolarHBondContact O-N 2.99Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-K9 WeakPolarHBondContact O-CB 2.92Å; L6-K9 PolarHBondContact O-N 3.42Å; L6-A10 PolarHBondContact O-N 3.07Å; L6-A28 HydrophobicContact CD1-CB 3.81Å; L6-A28 HydrophobicContact CD2-CB 4.17Å; L6-V29 HydrophobicContact CB-CG2 3.43Å; L6-V29 VanDerWaalsContact CB-CG2 3.43Å; L6-V29 HydrophobicContact CD1-CG2 4.05Å; L6-V29 HydrophobicContact CG-CG2 4.39Å
7V97.5Very high95.2Very high12 Ų1276.4 Ų76.47%0.07339%0.39CS..Hα-helixtrans-63.2-42.9175.4172.50000110.6K3 S4 K9 A10 K11 V29 E40 L43K3-V7 WeakPolarHBondContact O-CG2 3.43Å; K3-V7 PolarHBondContact O-N 3.31Å; S4-V7 PolarHBondContact O-N 3.41Å; V7-K9 VanDerWaalsContact C-N 3.32Å; V7-K9 PolarHBondContact O-N 2.92Å; V7-A10 WeakPolarHBondContact O-CB 3.41Å; V7-A10 PolarHBondContact O-N 3.19Å; V7-K11 WeakPolarHBondContact O-CG 3.33Å; V7-K11 PolarHBondContact O-N 3.48Å; V7-V29 HydrophobicContact CG2-CG1 4.37Å; V7-V29 HydrophobicContact CG2-CG2 3.95Å; V7-E40 HydrophobicContact CG2-CG 4.04Å; V7-L43 HydrophobicContact CG1-CD1 3.98Å
8Q97.8Very high95.3Very high101 Ų10180.1 Ų80.147%0.47240%0.399SS..Hα-helixtrans-63.1-39.9176-174.559.223.500111.7S4 E5 L6 K11 L12S4-Q8 WeakPolarHBondContact O-CB 3.3Å; S4-Q8 PolarHBondContact O-N 3.08Å; E5-Q8 PolarHBondContact O-N 3.46Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; Q8-K11 PolarHBondContact O-N 3.21Å; Q8-L12 WeakPolarHBondContact O-CG 3.49Å; Q8-L12 PolarHBondContact O-N 3.39Å
9K97.6Very high95.5Very high98 Ų9878.9 Ų78.943%0.42639%0.389SS..Hα-helixtrans-62.6-41.3174-174.2-179.9178-1750111.8E5 L6 V7 L12 A13E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 PolarHBondContact O-N 2.94Å; L6-K9 WeakPolarHBondContact O-CB 2.92Å; L6-K9 PolarHBondContact O-N 3.42Å; V7-K9 VanDerWaalsContact C-N 3.32Å; V7-K9 PolarHBondContact O-N 2.92Å; K9-L12 PolarHBondContact O-N 2.98Å; K9-A13 WeakPolarHBondContact O-CB 3.42Å; K9-A13 PolarHBondContact O-N 3.1Å
10A98.3Very high95.6Very high0 Ų079 Ų790%039%0.391CS..Hα-helixtrans-61.4-43.4176.300000111.7L6 V7 L12 A13 E14 M22 A25 M26L6-A10 PolarHBondContact O-N 3.07Å; V7-A10 WeakPolarHBondContact O-CB 3.41Å; V7-A10 PolarHBondContact O-N 3.19Å; A10-L12 PolarHBondContact O-N 3.01Å; A10-A13 PolarHBondContact O-N 3.27Å; A10-E14 PolarHBondContact O-N 3.06Å; A10-M22 HydrophobicContact CB-CG 4.09Å; A10-A25 HydrophobicContact CB-CB 4.1Å; A10-M26 HydrophobicContact CB-CG 3.78Å; A10-M26 HydrophobicContact CB-SD 3.57Å; A10-M26 VanDerWaalsContact CB-SD 3.57Å
11K98.1Very high95.7Very high49 Ų4977.6 Ų77.621%0.21339%0.386CS..Hα-helixtrans-62.1-41.1175.4-69175.7177.5-176.60112.8V7 Q8 E14 Q15 E39 L43V7-K11 WeakPolarHBondContact O-CG 3.33Å; V7-K11 PolarHBondContact O-N 3.48Å; Q8-K11 PolarHBondContact O-N 3.21Å; K11-E14 PolarHBondContact O-N 2.97Å; K11-Q15 WeakPolarHBondContact O-CG 3.37Å; K11-Q15 PolarHBondContact O-N 3.34Å; K11-Q15 VanDerWaalsContact O-N 3.13Å; K11-E39 WeakPolarHBondContact CE-OE1 3.46Å; K11-E39 IonicContact NZ-OE1 2.83Å; K11-E39 PolarHBondContact NZ-OE1 3.12Å; K11-E39 IonicContact NZ-OE2 3.64Å; K11-E39 PolarHBondContact NZ-OE2 3.39Å; K11-L43 HydrophobicContact CG-CD1 4.12Å; K11-L43 HydrophobicContact CG-CD2 4.18Å
12L98.3Very high97.1Very high95 Ų9570.2 Ų70.250%0.49735%0.349SS..Hα-helixtrans-65.5-40174.6-69.7172000111.6Q8 K9 A10 Q15 A16Q8-L12 WeakPolarHBondContact O-CG 3.49Å; Q8-L12 PolarHBondContact O-N 3.39Å; K9-L12 PolarHBondContact O-N 2.98Å; A10-L12 PolarHBondContact O-N 3.01Å; L12-Q15 PolarHBondContact O-N 2.88Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.44Å; L12-A16 VanDerWaalsContact O-N 3.09Å
13A98.3Very high97.4Very high8 Ų865.7 Ų65.77%0.06633%0.326CS..Hα-helixtrans-65.4-38.3176.700000112K9 A10 A16 E17 R18 D21 M22K9-A13 WeakPolarHBondContact O-CB 3.42Å; K9-A13 PolarHBondContact O-N 3.1Å; A10-A13 PolarHBondContact O-N 3.27Å; A13-A16 CarbonylContact O-C 3.48Å; A13-A16 PolarHBondContact O-N 3.41Å; A13-E17 PolarHBondContact O-N 3.35Å; A13-R18 HydrophobicContact CB-CB 4.49Å; A13-R18 PolarHBondContact O-N 3.05Å; A13-D21 HydrophobicContact CB-CB 4.04Å; A13-M22 HydrophobicContact CB-CB 3.82Å; A13-M22 HydrophobicContact CB-CG 4.5Å
14E97.9Very high97.7Very high71 Ų7166.5 Ų66.533%0.33234%0.341SS..Hα-helixtrans-59.2-49.1172.7-175.1177.9-149.900111.6A10 K11 A16 E17 M22 L43A10-E14 PolarHBondContact O-N 3.06Å; K11-E14 PolarHBondContact O-N 2.97Å; E14-A16 PolarHBondContact O-N 3.42Å; E14-E17 PolarHBondContact O-N 3.3Å; E14-M22 HydrophobicContact CB-CE 3.84Å; E14-M22 HydrophobicContact CB-SD 3.81Å; E14-M22 HydrophobicContact CG-CE 4.06Å; E14-M22 HydrophobicContact CG-SD 4.24Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.38Å
15Q97.5Very high97.8Very high155 Ų15562.8 Ų62.872%0.72432%0.315SS*.Hα-helixtrans-63.1-28.1177.9-69.6176.415.900113.3K11 L12 E17K11-Q15 WeakPolarHBondContact O-CG 3.37Å; K11-Q15 PolarHBondContact O-N 3.34Å; K11-Q15 VanDerWaalsContact O-N 3.13Å; L12-Q15 PolarHBondContact O-N 2.88Å; Q15-E17 VanDerWaalsContact C-N 3.35Å
16A97.8Very high97.9Very high62 Ų6257.5 Ų57.551%0.51229%0.29SS..THydrogen-bonded Turntrans-91.44.1176.300000113.2L12 A13 E14 R18L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.44Å; L12-A16 VanDerWaalsContact O-N 3.09Å; A13-A16 CarbonylContact O-C 3.48Å; A13-A16 PolarHBondContact O-N 3.41Å; E14-A16 PolarHBondContact O-N 3.42Å; A16-R18 HydrophobicContact CB-CG 4.2Å; A16-R18 PolarHBondContact O-N 2.83Å; A16-R18 VanDerWaalsContact O-N 3.08Å
17E97.4Very high98Very high144 Ų14459.8 Ų59.867%0.67330%0.3SS*.THydrogen-bonded Turntrans5425.3-175.3-57.6-177-176.100113.8A13 E14 Q15 Y19A13-E17 PolarHBondContact O-N 3.35Å; E14-E17 PolarHBondContact O-N 3.3Å; Q15-E17 VanDerWaalsContact C-N 3.35Å; E17-Y19 VanDerWaalsContact C-N 3.33Å; E17-Y19 HydrophobicContact CB-CE2 3.9Å; E17-Y19 HydrophobicContact CG-CE2 4.47Å; E17-Y19 VanDerWaalsContact O-CD2 3.3Å; E17-Y19 WeakPolarHBondContact O-CD2 3.38Å; E17-Y19 PolarHBondContact O-N 3.5Å
18R98.2Very high98Very high144 Ų14460.8 Ų60.854%0.54331%0.309SS..  trans-90.467.5177-68.5-161.663.5-177.2-9.4110.5A13 A16 D20 D21 M22A13-R18 HydrophobicContact CB-CB 4.49Å; A13-R18 PolarHBondContact O-N 3.05Å; A16-R18 HydrophobicContact CB-CG 4.2Å; A16-R18 PolarHBondContact O-N 2.83Å; A16-R18 VanDerWaalsContact O-N 3.08Å; R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.19Å; R18-D21 HydrophobicContact CB-CB 4.17Å; R18-D21 IonicContact CZ-OD1 2.91Å; R18-D21 IonicContact CZ-OD2 3.99Å; R18-D21 IonicContact NE-OD1 2.69Å; R18-D21 IonicContact NE-OD2 3.72Å; R18-D21 PolarHBondContact NE-OD2 2.88Å; R18-D21 VanDerWaalsContact NE-OD2 3.08Å; R18-D21 IonicContact NH1-OD2 4Å; R18-D21 PolarHBondContact NH1-OD2 3.23Å; R18-D21 IonicContact NH2-OD1 3.71Å; R18-D21 PolarHBondContact NH2-OD1 2.94Å; R18-D21 IonicContact NH2-OD2 3.8Å; R18-D21 PolarHBondContact NH2-OD2 3.35Å; R18-D21 WeakPolarHBondContact O-CB 3.44Å; R18-D21 PolarHBondContact O-N 3.32Å; R18-M22 PolarHBondContact O-N 3.33Å
19Y98.1Very high98Very high57 Ų5756 Ų5622%0.22429%0.287CS..Hα-helixtrans-63.9-28.1-171.8-57.8-72.2000114.5E17 M22 A23 N50 V51E17-Y19 VanDerWaalsContact C-N 3.33Å; E17-Y19 HydrophobicContact CB-CE2 3.9Å; E17-Y19 HydrophobicContact CG-CE2 4.47Å; E17-Y19 VanDerWaalsContact O-CD2 3.3Å; E17-Y19 WeakPolarHBondContact O-CD2 3.38Å; E17-Y19 PolarHBondContact O-N 3.5Å; Y19-M22 HydrophobicContact CD1-SD 4.09Å; Y19-M22 WeakPolarHBondContact O-CB 3.4Å; Y19-M22 PolarHBondContact O-N 3.14Å; Y19-A23 WeakPolarHBondContact O-CB 3.33Å; Y19-A23 PolarHBondContact O-N 2.94Å; Y19-N50 HydrophobicContact CD1-CB 3.56Å; Y19-N50 HydrophobicContact CD2-CB 3.59Å; Y19-N50 HydrophobicContact CE1-CB 3.95Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.35Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.48Å; Y19-N50 HydrophobicContact CE2-CB 3.98Å; Y19-N50 HydrophobicContact CG-CB 3.35Å; Y19-V51 VanDerWaalsContact C-CG2 3.44Å; Y19-V51 WeakPolarHBondContact O-CG2 3.43Å
20D97.6Very high98Very high80 Ų8051.4 Ų51.443%0.42827%0.267SS..Hα-helixtrans-64.8-40.9172.7-61.9-85.2000111.6R18 M22 A23 A24 R55R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.19Å; D20-M22 VanDerWaalsContact C-N 3.34Å; D20-A23 PolarHBondContact O-N 3.05Å; D20-A24 PolarHBondContact O-N 3.32Å; D20-R55 IonicContact OD1-CZ 2.82Å; D20-R55 IonicContact OD1-NH1 3.68Å; D20-R55 PolarHBondContact OD1-NH1 3.46Å; D20-R55 IonicContact OD1-NH2 2.75Å; D20-R55 PolarHBondContact OD1-NH2 3.06Å; D20-R55 IonicContact OD2-NH1 2.63Å; D20-R55 IonicContact OD2-NH2 3.48Å
21D98.1Very high97.9Very high51 Ų5155.4 Ų55.427%0.27329%0.286SS..Hα-helixtrans-67.2-38.8175.1-67.714.2000111.1A13 R18 A24 A25A13-D21 HydrophobicContact CB-CB 4.04Å; R18-D21 HydrophobicContact CB-CB 4.17Å; R18-D21 IonicContact CZ-OD1 2.91Å; R18-D21 IonicContact CZ-OD2 3.99Å; R18-D21 IonicContact NE-OD1 2.69Å; R18-D21 IonicContact NE-OD2 3.72Å; R18-D21 PolarHBondContact NE-OD2 2.88Å; R18-D21 VanDerWaalsContact NE-OD2 3.08Å; R18-D21 IonicContact NH1-OD2 4Å; R18-D21 PolarHBondContact NH1-OD2 3.23Å; R18-D21 IonicContact NH2-OD1 3.71Å; R18-D21 PolarHBondContact NH2-OD1 2.94Å; R18-D21 IonicContact NH2-OD2 3.8Å; R18-D21 PolarHBondContact NH2-OD2 3.35Å; R18-D21 WeakPolarHBondContact O-CB 3.44Å; R18-D21 PolarHBondContact O-N 3.32Å; D21-A24 PolarHBondContact O-N 2.9Å; D21-A25 WeakPolarHBondContact O-CB 3.41Å; D21-A25 PolarHBondContact O-N 3.28Å
22M98.3Very high97.8Very high0 Ų056.5 Ų56.50%029%0.292CS..Hα-helixtrans-61.9-46175.9-168.3-170.7-178.900110.9A10 A13 E14 R18 Y19 D20 A25 M26 L43 V46 A47A10-M22 HydrophobicContact CB-CG 4.09Å; A13-M22 HydrophobicContact CB-CB 3.82Å; A13-M22 HydrophobicContact CB-CG 4.5Å; E14-M22 HydrophobicContact CB-CE 3.84Å; E14-M22 HydrophobicContact CB-SD 3.81Å; E14-M22 HydrophobicContact CG-CE 4.06Å; E14-M22 HydrophobicContact CG-SD 4.24Å; R18-M22 PolarHBondContact O-N 3.33Å; Y19-M22 HydrophobicContact CD1-SD 4.09Å; Y19-M22 WeakPolarHBondContact O-CB 3.4Å; Y19-M22 PolarHBondContact O-N 3.14Å; D20-M22 VanDerWaalsContact C-N 3.34Å; M22-A25 PolarHBondContact O-N 3.06Å; M22-M26 WeakPolarHBondContact O-CG 3.46Å; M22-M26 PolarHBondContact O-N 3.21Å; M22-L43 HydrophobicContact CE-CB 3.99Å; M22-L43 HydrophobicContact CE-CD2 3.47Å; M22-L43 VanDerWaalsContact CE-CD2 3.47Å; M22-L43 HydrophobicContact CE-CG 4.35Å; M22-L43 VanDerWaalsContact CE-O 3.31Å; M22-L43 WeakPolarHBondContact CE-O 3.46Å; M22-V46 HydrophobicContact CE-CB 4.26Å; M22-V46 HydrophobicContact CE-CG1 4.17Å; M22-V46 HydrophobicContact SD-CG1 4.42Å; M22-A47 HydrophobicContact CB-CB 3.97Å; M22-A47 HydrophobicContact CE-CB 4.27Å; M22-A47 HydrophobicContact CG-CB 3.63Å; M22-A47 HydrophobicContact SD-CB 3.64Å
23A98.1Very high97.5Very high6 Ų653.4 Ų53.45%0.0528%0.282CS..Hα-helixtrans-63.6-44.8178.400000111Y19 D20 A25 M26 K27 A47 Y48 V51Y19-A23 WeakPolarHBondContact O-CB 3.33Å; Y19-A23 PolarHBondContact O-N 2.94Å; D20-A23 PolarHBondContact O-N 3.05Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 2.86Å; A23-M26 PolarHBondContact O-N 3.4Å; A23-K27 VanDerWaalsContact O-CB 3.28Å; A23-K27 WeakPolarHBondContact O-CB 3.5Å; A23-K27 PolarHBondContact O-N 3.09Å; A23-A47 HydrophobicContact CB-CB 4.1Å; A23-Y48 HydrophobicContact CB-CD1 4.27Å; A23-Y48 HydrophobicContact CB-CD2 4.36Å; A23-Y48 HydrophobicContact CB-CE1 4.17Å; A23-Y48 HydrophobicContact CB-CE2 4.21Å; A23-Y48 HydrophobicContact CB-CG 4.39Å; A23-V51 HydrophobicContact CB-CG2 4.17Å
24A98.2Very high97.1Very high61 Ų6158.8 Ų58.850%0.50431%0.306SS..Hα-helixtrans-60.6-40.6176.400000112.7D20 D21 A28D20-A24 PolarHBondContact O-N 3.32Å; D21-A24 PolarHBondContact O-N 2.9Å; A24-A28 PolarHBondContact O-N 3.26Å
25A98.3Very high97Very high4 Ų458.9 Ų58.93%0.03331%0.306CS..Hα-helixtrans-66.7-45.5176.100000112A10 D21 M22 A23 A28 V29A10-A25 HydrophobicContact CB-CB 4.1Å; D21-A25 WeakPolarHBondContact O-CB 3.41Å; D21-A25 PolarHBondContact O-N 3.28Å; M22-A25 PolarHBondContact O-N 3.06Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 2.86Å; A25-A28 PolarHBondContact O-N 2.99Å; A25-V29 WeakPolarHBondContact O-CG2 3.43Å; A25-V29 PolarHBondContact O-N 2.69Å
26M98.4Very high96.9Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-71.1-30.3-179.6-69-52.6-52.700113.2A10 M22 A23 V29 T30 E40 L43 L44A10-M26 HydrophobicContact CB-CG 3.78Å; A10-M26 HydrophobicContact CB-SD 3.57Å; A10-M26 VanDerWaalsContact CB-SD 3.57Å; M22-M26 WeakPolarHBondContact O-CG 3.46Å; M22-M26 PolarHBondContact O-N 3.21Å; A23-M26 PolarHBondContact O-N 3.4Å; M26-V29 HydrophobicContact CE-CB 4.34Å; M26-V29 HydrophobicContact CE-CG1 4.34Å; M26-V29 PolarHBondContact O-N 3.23Å; M26-V29 HydrophobicContact SD-CG2 4.48Å; M26-T30 WeakPolarHBondContact O-CB 2.94Å; M26-T30 PolarHBondContact O-N 2.63Å; M26-T30 PolarHBondContact O-OG1 2.92Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.34Å; M26-L43 HydrophobicContact CE-CB 4.05Å; M26-L43 HydrophobicContact CG-CB 4.18Å; M26-L43 HydrophobicContact SD-CB 3.83Å; M26-L43 HydrophobicContact SD-CD1 4.29Å; M26-L44 HydrophobicContact CB-CB 4.32Å; M26-L44 HydrophobicContact CB-CD1 3.68Å; M26-L44 HydrophobicContact CE-CB 4.24Å
27K98.2Very high96.8Very high58 Ų5851.2 Ų51.225%0.25227%0.266SS..Hα-helixtrans-58.4-51.5167.5175.4167.2178.8175.30110.8A23 V29 T30 E31 D96 L100A23-K27 VanDerWaalsContact O-CB 3.28Å; A23-K27 WeakPolarHBondContact O-CB 3.5Å; A23-K27 PolarHBondContact O-N 3.09Å; K27-V29 VanDerWaalsContact C-N 3.25Å; K27-V29 PolarHBondContact O-N 3.25Å; K27-T30 WeakPolarHBondContact O-CB 3.4Å; K27-T30 PolarHBondContact O-N 3.18Å; K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 HydrophobicContact CG-CG 4.33Å; K27-E31 IonicContact NZ-OE1 3.25Å; K27-E31 WeakPolarHBondContact O-CG 3.22Å; K27-E31 PolarHBondContact O-N 3.08Å; K27-D96 WeakPolarHBondContact CD-OD1 3.43Å; K27-D96 VanDerWaalsContact CE-OD1 3.22Å; K27-D96 WeakPolarHBondContact CE-OD1 3.43Å; K27-D96 IonicContact NZ-OD1 2.87Å; K27-D96 PolarHBondContact NZ-OD1 3.21Å; K27-D96 IonicContact NZ-OD2 3.65Å; K27-L100 HydrophobicContact CB-CD1 4.21Å; K27-L100 HydrophobicContact CG-CD1 4.07Å; K27-L100 HydrophobicContact CG-CD2 4.15Å
28A97.9Very high96.5Very high33 Ų3349.6 Ų49.627%0.27326%0.262SS..Hα-helixtrans-63-29.5178.500000113.2L6 A24 A25 Q32L6-A28 HydrophobicContact CD1-CB 3.81Å; L6-A28 HydrophobicContact CD2-CB 4.17Å; A24-A28 PolarHBondContact O-N 3.26Å; A25-A28 PolarHBondContact O-N 2.99Å; A28-Q32 WeakPolarHBondContact O-CG 3.39Å
29V97.6Very high96.4Very high1 Ų147.7 Ų47.71%0.00626%0.259CS..Hα-helixtrans-67.5-44.9170.5171.90000110.8K3 L6 V7 A25 M26 K27 Q32 L36K3-V29 HydrophobicContact CD-CG1 4.47Å; K3-V29 HydrophobicContact CG-CG1 4.01Å; L6-V29 HydrophobicContact CB-CG2 3.43Å; L6-V29 VanDerWaalsContact CB-CG2 3.43Å; L6-V29 HydrophobicContact CD1-CG2 4.05Å; L6-V29 HydrophobicContact CG-CG2 4.39Å; V7-V29 HydrophobicContact CG2-CG1 4.37Å; V7-V29 HydrophobicContact CG2-CG2 3.95Å; A25-V29 WeakPolarHBondContact O-CG2 3.43Å; A25-V29 PolarHBondContact O-N 2.69Å; M26-V29 HydrophobicContact CE-CB 4.34Å; M26-V29 HydrophobicContact CE-CG1 4.34Å; M26-V29 PolarHBondContact O-N 3.23Å; M26-V29 HydrophobicContact SD-CG2 4.48Å; K27-V29 VanDerWaalsContact C-N 3.25Å; K27-V29 PolarHBondContact O-N 3.25Å; V29-Q32 WeakPolarHBondContact O-CB 3.32Å; V29-Q32 PolarHBondContact O-N 3.36Å; V29-L36 HydrophobicContact CG1-CD2 3.82Å
30T97.5Very high96.3Very high1 Ų146 Ų461%0.00625%0.253CS..Hα-helixtrans-65.7-41.5-177.4-57.80000112M26 K27 Q32 G33 L100 Y104 L105M26-T30 WeakPolarHBondContact O-CB 2.94Å; M26-T30 PolarHBondContact O-N 2.63Å; M26-T30 PolarHBondContact O-OG1 2.92Å; K27-T30 WeakPolarHBondContact O-CB 3.4Å; K27-T30 PolarHBondContact O-N 3.18Å; T30-Q32 PolarHBondContact O-N 3.01Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; T30-G33 PolarHBondContact O-N 2.63Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.98Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; T30-Y104 HydrophobicContact CG2-CG 4.42Å; T30-L105 HydrophobicContact CG2-CD1 4.14Å; T30-L105 HydrophobicContact CG2-CD2 3.58Å; T30-L105 HydrophobicContact CG2-CG 3.74Å
31E97.1Very high96.3Very high84 Ų8443 Ų4339%0.39324%0.236SC..THydrogen-bonded Turntrans-68.1-8.8-179.7-69.9176.7151.500113.8K27 G33 L100 Y104K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 HydrophobicContact CG-CG 4.33Å; K27-E31 IonicContact NZ-OE1 3.25Å; K27-E31 WeakPolarHBondContact O-CG 3.22Å; K27-E31 PolarHBondContact O-N 3.08Å; E31-G33 PolarHBondContact O-N 3.46Å; E31-L100 HydrophobicContact CG-CD2 3.83Å; E31-Y104 HydrophobicContact CG-CE2 3.97Å
32Q94.8Very high96.1Very high72 Ų7244.9 Ų44.934%0.33625%0.246SC..THydrogen-bonded Turntrans-71.2-13.2169.7-62.9178.123.800112.6A28 V29 T30 H34A28-Q32 WeakPolarHBondContact O-CG 3.39Å; V29-Q32 WeakPolarHBondContact O-CB 3.32Å; V29-Q32 PolarHBondContact O-N 3.36Å; T30-Q32 PolarHBondContact O-N 3.01Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; Q32-H34 VanDerWaalsContact C-N 3.35Å; Q32-H34 PolarHBondContact O-N 3.27Å
33G91.4Very high96.1Very high29 Ų2945.3 Ų45.330%0.29925%0.248SC..  trans80.48.3170.700000115.6T30 E31 N108T30-G33 PolarHBondContact O-N 2.63Å; E31-G33 PolarHBondContact O-N 3.46Å; G33-N108 PolarHBondContact O-ND2 3.14Å
34H91.7Very high96.1Very high121 Ų12145.1 Ų45.156%0.5625%0.246SC*.PPolyproline II helixtrans-87.7149.6172.6-60.7-53.1000111.3Q32 L36Q32-H34 VanDerWaalsContact C-N 3.35Å; Q32-H34 PolarHBondContact O-N 3.27Å; H34-L36 PolarHBondContact O-N 3.09Å
35E94.1Very high96Very high73 Ų7343.9 Ų43.934%0.34123%0.234SC..PPolyproline II helixtrans-60.2132.3172.3-171.5171.5-158.400110.1T110E35-T110 PolarHBondContact OE1-N 3.28Å; E35-T110 PolarHBondContact OE1-OG1 3Å; E35-T110 VanDerWaalsContact OE1-OG1 3.06Å; E35-T110 PolarHBondContact OE2-OG1 3.28Å
36L96.3Very high96Very high4 Ų445.5 Ų45.52%0.02124%0.243CC..PPolyproline II helixtrans-78136.8179.1-60.3-172.6000111.1V29 H34 E40 R41 L44 L105V29-L36 HydrophobicContact CG1-CD2 3.82Å; H34-L36 PolarHBondContact O-N 3.09Å; L36-E40 WeakPolarHBondContact CA-OE2 3.24Å; L36-E40 HydrophobicContact CB-CB 3.97Å; L36-E40 HydrophobicContact CD2-CB 4.21Å; L36-E40 HydrophobicContact CG-CB 4.48Å; L36-R41 PolarHBondContact O-NH2 3.04Å; L36-L44 HydrophobicContact CD1-CD2 3.98Å; L36-L105 HydrophobicContact CD1-CD2 3.57Å; L36-L105 HydrophobicContact CG-CD2 3.81Å
37S95.5Very high96Very high52 Ų5245.5 Ų45.536%0.36424%0.243SC..PPolyproline II helixtrans-63.9165.9168.279.60000111.1E39 E40 R41S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 PolarHBondContact O-N 2.81Å; S37-E39 PolarHBondContact OG-N 2.96Å; S37-E40 PolarHBondContact N-OE2 3.5Å; S37-E40 PolarHBondContact O-N 2.61Å; S37-E40 WeakPolarHBondContact OG-CG 3.28Å; S37-E40 PolarHBondContact OG-N 3.02Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.46Å; S37-R41 PolarHBondContact O-N 3.34Å
38N91.9Very high96Very high110 Ų11043 Ų4359%0.58823%0.233SC*.Hα-helixtrans-59.4-38.6176.5-73.4-13.2000112.2R41 N42N38-R41 PolarHBondContact OD1-NH1 3.42Å; N38-R41 VanDerWaalsContact OD1-NH1 3.13Å; N38-N42 WeakPolarHBondContact O-CB 3.28Å; N38-N42 PolarHBondContact O-N 3.25Å; N38-N42 PolarHBondContact O-ND2 3.19Å
39E94.8Very high95.9Very high105 Ų10547 Ų4749%0.49124%0.244SC..Hα-helixtrans-64.9-47.5176.2-175.3-180-151.200111.2K11 S37 R41 N42 L43K11-E39 WeakPolarHBondContact CE-OE1 3.46Å; K11-E39 IonicContact NZ-OE1 2.83Å; K11-E39 PolarHBondContact NZ-OE1 3.12Å; K11-E39 IonicContact NZ-OE2 3.64Å; K11-E39 PolarHBondContact NZ-OE2 3.39Å; S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 PolarHBondContact O-N 2.81Å; S37-E39 PolarHBondContact OG-N 2.96Å; E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.28Å; E39-N42 PolarHBondContact O-N 3.34Å; E39-L43 HydrophobicContact CG-CD1 4.31Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.03Å
40E97.2Very high95.9Very high22 Ų2249.2 Ų49.210%0.10326%0.255CS..Hα-helixtrans-63-40.5179.1-69.4165.4171.600111.7K3 V7 M26 L36 S37 N42 L43 L44K3-E40 VanDerWaalsContact CE-CD 3.47Å; K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 WeakPolarHBondContact CE-OE2 3.47Å; K3-E40 IonicContact NZ-OE1 3.54Å; K3-E40 PolarHBondContact NZ-OE1 3.49Å; K3-E40 IonicContact NZ-OE2 3.47Å; K3-E40 PolarHBondContact NZ-OE2 3.44Å; V7-E40 HydrophobicContact CG2-CG 4.04Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.34Å; L36-E40 WeakPolarHBondContact CA-OE2 3.24Å; L36-E40 HydrophobicContact CB-CB 3.97Å; L36-E40 HydrophobicContact CD2-CB 4.21Å; L36-E40 HydrophobicContact CG-CB 4.48Å; S37-E40 PolarHBondContact N-OE2 3.5Å; S37-E40 PolarHBondContact O-N 2.61Å; S37-E40 WeakPolarHBondContact OG-CG 3.28Å; S37-E40 PolarHBondContact OG-N 3.02Å; E40-N42 VanDerWaalsContact C-N 3.35Å; E40-L43 PolarHBondContact O-N 3.43Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.24Å
41R96.8Very high95.9Very high15 Ų1549.4 Ų49.46%0.05726%0.257CS..Hα-helixtrans-62.2-42.6175.3-172.8-177.6-48.5137.213.3111.8L36 S37 N38 E39 L44 S45 S114 F117 Y118L36-R41 PolarHBondContact O-NH2 3.04Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.46Å; S37-R41 PolarHBondContact O-N 3.34Å; N38-R41 PolarHBondContact OD1-NH1 3.42Å; N38-R41 VanDerWaalsContact OD1-NH1 3.13Å; E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.28Å; R41-L44 PolarHBondContact O-N 2.87Å; R41-S45 WeakPolarHBondContact O-CB 3.41Å; R41-S45 PolarHBondContact O-N 3.05Å; R41-S114 VanDerWaalsContact NH2-CB 3.26Å; R41-F117 HydrophobicContact CG-CD1 3.59Å; R41-F117 HydrophobicContact CG-CE1 3.34Å; R41-F117 HydrophobicContact CG-CE2 4.35Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.74Å; R41-Y118 HydrophobicContact CG-CE1 3.74Å; R41-Y118 PolarHBondContact NE-OH 2.95Å
42N94.8Very high95.9Very high91 Ų9145.5 Ų45.549%0.48724%0.239SC..Hα-helixtrans-64.7-44.8176.2-74-13.4000111.3N38 E39 E40 L44 S45 V46N38-N42 WeakPolarHBondContact O-CB 3.28Å; N38-N42 PolarHBondContact O-N 3.25Å; N38-N42 PolarHBondContact O-ND2 3.19Å; E39-N42 PolarHBondContact O-N 3.34Å; E40-N42 VanDerWaalsContact C-N 3.35Å; N42-L44 PolarHBondContact O-N 3.38Å; N42-S45 PolarHBondContact O-N 2.91Å; N42-V46 WeakPolarHBondContact O-CB 3.36Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.94Å
43L97.9Very high96Very high10 Ų1043.5 Ų43.55%0.05224%0.237CC..Hα-helixtrans-58.9-46.7175.7-70.9169.4000111.7V7 K11 E14 M22 M26 E39 E40 S45 V46 A47V7-L43 HydrophobicContact CG1-CD1 3.98Å; K11-L43 HydrophobicContact CG-CD1 4.12Å; K11-L43 HydrophobicContact CG-CD2 4.18Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.38Å; M22-L43 HydrophobicContact CE-CB 3.99Å; M22-L43 HydrophobicContact CE-CD2 3.47Å; M22-L43 VanDerWaalsContact CE-CD2 3.47Å; M22-L43 HydrophobicContact CE-CG 4.35Å; M22-L43 VanDerWaalsContact CE-O 3.31Å; M22-L43 WeakPolarHBondContact CE-O 3.46Å; M26-L43 HydrophobicContact CE-CB 4.05Å; M26-L43 HydrophobicContact CG-CB 4.18Å; M26-L43 HydrophobicContact SD-CB 3.83Å; M26-L43 HydrophobicContact SD-CD1 4.29Å; E39-L43 HydrophobicContact CG-CD1 4.31Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.03Å; E40-L43 PolarHBondContact O-N 3.43Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.44Å; L43-V46 PolarHBondContact O-N 2.92Å; L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.48Å; L43-A47 PolarHBondContact O-N 3.27Å
44L98Very high96.3Very high2 Ų244.4 Ų44.41%0.0124%0.242CC..Hα-helixtrans-57.3-47.2176.5-178.174.7000111.3M26 L36 E40 R41 N42 A47 Y48 L105M26-L44 HydrophobicContact CB-CB 4.32Å; M26-L44 HydrophobicContact CB-CD1 3.68Å; M26-L44 HydrophobicContact CE-CB 4.24Å; L36-L44 HydrophobicContact CD1-CD2 3.98Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.24Å; R41-L44 PolarHBondContact O-N 2.87Å; N42-L44 PolarHBondContact O-N 3.38Å; L44-A47 PolarHBondContact O-N 3.33Å; L44-Y48 HydrophobicContact CD1-CD2 3.76Å; L44-Y48 HydrophobicContact CD1-CE2 3.55Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.47Å; L44-Y48 WeakPolarHBondContact O-CD2 3.42Å; L44-Y48 PolarHBondContact O-N 3.03Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; L44-L105 HydrophobicContact CD2-CD1 3.6Å
45S96.5Very high96.5Very high34 Ų3441.2 Ų41.224%0.23823%0.225CC..Hα-helixtrans-64.5-45.6-179.8-178.40000112.3R41 N42 L43 A47 K49R41-S45 WeakPolarHBondContact O-CB 3.41Å; R41-S45 PolarHBondContact O-N 3.05Å; N42-S45 PolarHBondContact O-N 2.91Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.44Å; S45-A47 PolarHBondContact O-N 3.35Å; S45-K49 WeakPolarHBondContact O-CB 3.36Å; S45-K49 PolarHBondContact O-N 2.91Å
46V97.2Very high96.7Very high39 Ų3939.1 Ų39.124%0.23621%0.214CC..Hα-helixtrans-61.4-44.2177.2170.10000111.1M22 N42 L43 N50M22-V46 HydrophobicContact CE-CB 4.26Å; M22-V46 HydrophobicContact CE-CG1 4.17Å; M22-V46 HydrophobicContact SD-CG1 4.42Å; N42-V46 WeakPolarHBondContact O-CB 3.36Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.94Å; L43-V46 PolarHBondContact O-N 2.92Å; V46-N50 PolarHBondContact O-N 3.43Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.43Å
47A98.2Very high96.7Very high0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-57.6-59.6179.800000111.3M22 A23 L43 L44 S45 K49 N50 V51M22-A47 HydrophobicContact CB-CB 3.97Å; M22-A47 HydrophobicContact CE-CB 4.27Å; M22-A47 HydrophobicContact CG-CB 3.63Å; M22-A47 HydrophobicContact SD-CB 3.64Å; A23-A47 HydrophobicContact CB-CB 4.1Å; L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.48Å; L43-A47 PolarHBondContact O-N 3.27Å; L44-A47 PolarHBondContact O-N 3.33Å; S45-A47 PolarHBondContact O-N 3.35Å; A47-K49 PolarHBondContact O-N 2.73Å; A47-N50 PolarHBondContact O-N 3.21Å; A47-V51 WeakPolarHBondContact O-CG2 3.41Å; A47-V51 PolarHBondContact O-N 2.89Å; A47-V51 VanDerWaalsContact O-N 3.08Å
48Y98.3Very high96.8Very high6 Ų642.5 Ų42.52%0.02424%0.238CC..Hα-helixtrans-70.9-32.6-175.7-78.2-81.1000112.8A23 L44 N50 V51 V52 I93 D96 V97 L100 Y125A23-Y48 HydrophobicContact CB-CD1 4.27Å; A23-Y48 HydrophobicContact CB-CD2 4.36Å; A23-Y48 HydrophobicContact CB-CE1 4.17Å; A23-Y48 HydrophobicContact CB-CE2 4.21Å; A23-Y48 HydrophobicContact CB-CG 4.39Å; L44-Y48 HydrophobicContact CD1-CD2 3.76Å; L44-Y48 HydrophobicContact CD1-CE2 3.55Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.47Å; L44-Y48 WeakPolarHBondContact O-CD2 3.42Å; L44-Y48 PolarHBondContact O-N 3.03Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.85Å; Y48-V51 PolarHBondContact O-N 2.8Å; Y48-V52 WeakPolarHBondContact O-CB 3.14Å; Y48-V52 VanDerWaalsContact O-CG1 3.25Å; Y48-V52 WeakPolarHBondContact O-CG1 3.39Å; Y48-V52 PolarHBondContact O-N 2.69Å; Y48-I93 HydrophobicContact CD1-CG2 4.18Å; Y48-D96 WeakPolarHBondContact CE1-OD2 3.45Å; Y48-D96 PolarHBondContact OH-OD2 2.91Å; Y48-V97 HydrophobicContact CD1-CG2 3.15Å; Y48-V97 HydrophobicContact CD2-CG2 3.91Å; Y48-V97 HydrophobicContact CE1-CG2 3.42Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.42Å; Y48-V97 HydrophobicContact CE2-CG2 4.14Å; Y48-V97 HydrophobicContact CG-CG2 3.41Å; Y48-V97 VanDerWaalsContact CG-CG2 3.41Å; Y48-L100 HydrophobicContact CE2-CD1 4.12Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.45Å; Y48-Y125 VanDerWaalsContact C-OH 3.25Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.47Å; Y48-Y125 PolarHBondContact O-OH 3.31Å
49K96.6Very high97Very high116 Ų11639.2 Ų39.250%0.50422%0.217SC..Hα-helixtrans-56.2-45.5173.1-178.1-164.172170.70111.3S45 A47 G53S45-K49 WeakPolarHBondContact O-CB 3.36Å; S45-K49 PolarHBondContact O-N 2.91Å; A47-K49 PolarHBondContact O-N 2.73Å; K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.05Å
50N97.4Very high97Very high47 Ų4740 Ų4025%0.25122%0.215SC..Hα-helixtrans-71.8-42.5-179.9-78-67.2000111.8Y19 V46 A47 Y48 G53 A54Y19-N50 HydrophobicContact CD1-CB 3.56Å; Y19-N50 HydrophobicContact CD2-CB 3.59Å; Y19-N50 HydrophobicContact CE1-CB 3.95Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.35Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.48Å; Y19-N50 HydrophobicContact CE2-CB 3.98Å; Y19-N50 HydrophobicContact CG-CB 3.35Å; V46-N50 PolarHBondContact O-N 3.43Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.43Å; A47-N50 PolarHBondContact O-N 3.21Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.85Å; N50-G53 PolarHBondContact O-N 3.48Å; N50-A54 PolarHBondContact O-N 3.13Å
51V97.7Very high96.9Very high6 Ų642.7 Ų42.74%0.03623%0.233CC..Hα-helixtrans-58.8-53.8176.9171.90000110.9Y19 A23 A47 Y48 R55 I93Y19-V51 VanDerWaalsContact C-CG2 3.44Å; Y19-V51 WeakPolarHBondContact O-CG2 3.43Å; A23-V51 HydrophobicContact CB-CG2 4.17Å; A47-V51 WeakPolarHBondContact O-CG2 3.41Å; A47-V51 PolarHBondContact O-N 2.89Å; A47-V51 VanDerWaalsContact O-N 3.08Å; Y48-V51 PolarHBondContact O-N 2.8Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.5Å; V51-R55 PolarHBondContact O-NH1 3.33Å; V51-I93 HydrophobicContact CG1-CD1 3.63Å; V51-I93 HydrophobicContact CG1-CG1 3.94Å; V51-I93 HydrophobicContact CG1-CG2 4.07Å
52V97.3Very high96.8Very high2 Ų243.4 Ų43.41%0.01224%0.238CC..Hα-helixtrans-69.1-35.8-179.7780000112.1Y48 A54 R55 R56 L90 I93 Y125 Y128Y48-V52 WeakPolarHBondContact O-CB 3.14Å; Y48-V52 VanDerWaalsContact O-CG1 3.25Å; Y48-V52 WeakPolarHBondContact O-CG1 3.39Å; Y48-V52 PolarHBondContact O-N 2.69Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.07Å; V52-R55 PolarHBondContact O-N 3.25Å; V52-R56 HydrophobicContact CG2-CG 4.36Å; V52-R56 WeakPolarHBondContact O-CB 3.38Å; V52-R56 WeakPolarHBondContact O-CG 3.21Å; V52-R56 PolarHBondContact O-N 3.36Å; V52-L90 HydrophobicContact CG2-CG 4.41Å; V52-I93 HydrophobicContact CB-CG2 4.04Å; V52-I93 HydrophobicContact CG2-CG2 4.32Å; V52-Y125 HydrophobicContact CB-CE1 4.22Å; V52-Y125 HydrophobicContact CG1-CE1 4.11Å; V52-Y125 HydrophobicContact CG2-CE1 4.35Å; V52-Y128 HydrophobicContact CG1-CD2 4.08Å; V52-Y128 HydrophobicContact CG1-CE2 3.87Å; V52-Y128 HydrophobicContact CG2-CD2 3.95Å
53G96.8Very high96.7Very high29 Ų2939.8 Ų39.830%0.29922%0.22SC..Hα-helixtrans-60.6-42.3178.600000112.6K49 N50 R56 S57K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.05Å; N50-G53 PolarHBondContact O-N 3.48Å; G53-R56 PolarHBondContact O-N 2.88Å; G53-S57 WeakPolarHBondContact O-CB 3.3Å; G53-S57 PolarHBondContact O-N 3.43Å
54A97.1Very high96.5Very high49 Ų4941.4 Ų41.441%0.40523%0.232SC..Hα-helixtrans-60.4-47.517500000111.7N50 V52 S57 S58N50-A54 PolarHBondContact O-N 3.13Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.07Å; A54-S57 PolarHBondContact O-N 3.36Å; A54-S58 PolarHBondContact O-N 2.83Å; A54-S58 PolarHBondContact O-OG 2.84Å
55R97.4Very high96.1Very high53 Ų5345.6 Ų45.620%0.225%0.254CS..Hα-helixtrans-67.5-40.3-179-80.670179-173-8.6111.6D20 V51 V52 S57 S58 W59 I86 E89 I93D20-R55 IonicContact OD1-CZ 2.82Å; D20-R55 IonicContact OD1-NH1 3.68Å; D20-R55 PolarHBondContact OD1-NH1 3.46Å; D20-R55 IonicContact OD1-NH2 2.75Å; D20-R55 PolarHBondContact OD1-NH2 3.06Å; D20-R55 IonicContact OD2-NH1 2.63Å; D20-R55 IonicContact OD2-NH2 3.48Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.5Å; V51-R55 PolarHBondContact O-NH1 3.33Å; V52-R55 PolarHBondContact O-N 3.25Å; R55-S57 PolarHBondContact O-N 3.44Å; R55-S58 PolarHBondContact O-N 3.31Å; R55-W59 WeakPolarHBondContact O-CB 3.48Å; R55-W59 PolarHBondContact O-N 3.16Å; R55-I86 HydrophobicContact CB-CG2 4.4Å; R55-I86 WeakPolarHBondContact O-CG2 3.31Å; R55-E89 HydrophobicContact CG-CB 4.35Å; R55-E89 IonicContact NE-OE2 2.81Å; R55-I93 HydrophobicContact CG-CD1 3.98Å
56R96.9Very high95.7Very high30 Ų3045.5 Ų45.511%0.11325%0.249CC..Hα-helixtrans-60.1-43173.6-75.7178.869.5-129.58.9112.3V52 G53 W59 R60 L90 E131V52-R56 HydrophobicContact CG2-CG 4.36Å; V52-R56 WeakPolarHBondContact O-CB 3.38Å; V52-R56 WeakPolarHBondContact O-CG 3.21Å; V52-R56 PolarHBondContact O-N 3.36Å; G53-R56 PolarHBondContact O-N 2.88Å; R56-W59 PolarHBondContact O-N 3.42Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 3Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.51Å; R56-L90 HydrophobicContact CG-CG 4.49Å; R56-E131 IonicContact CZ-OE1 3.83Å; R56-E131 IonicContact CZ-OE2 2.63Å; R56-E131 VanDerWaalsContact CZ-OE2 3.31Å; R56-E131 IonicContact NE-OE1 2.84Å; R56-E131 IonicContact NE-OE2 3.81Å; R56-E131 PolarHBondContact NE-OE2 2.91Å; R56-E131 IonicContact NH2-OE1 3.89Å; R56-E131 PolarHBondContact NH2-OE1 3.26Å; R56-E131 IonicContact NH2-OE2 2.79Å; R56-E131 PolarHBondContact NH2-OE2 3.22Å
57S96.9Very high95.1Very high66 Ų6650.5 Ų50.546%0.46227%0.27SS..Hα-helixtrans-62.7-48175.9-172.80000111.5G53 A54 R55 W59 R60 V61G53-S57 WeakPolarHBondContact O-CB 3.3Å; G53-S57 PolarHBondContact O-N 3.43Å; A54-S57 PolarHBondContact O-N 3.36Å; R55-S57 PolarHBondContact O-N 3.44Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.43Å; S57-R60 PolarHBondContact O-N 2.84Å; S57-V61 WeakPolarHBondContact O-CG2 3.3Å; S57-V61 PolarHBondContact O-N 3.47Å
58S96.9Very high94.6Very high60 Ų6058.4 Ų58.442%0.4230%0.304SS..Hα-helixtrans-58.7-44.4175.2-600000112.2A54 R55 R60 V61 I62A54-S58 PolarHBondContact O-N 2.83Å; A54-S58 PolarHBondContact O-OG 2.84Å; R55-S58 PolarHBondContact O-N 3.31Å; S58-R60 PolarHBondContact O-N 3.25Å; S58-V61 PolarHBondContact O-N 3.34Å; S58-I62 WeakPolarHBondContact O-CG1 3.44Å; S58-I62 PolarHBondContact O-N 3.03Å
59W96.6Very high93.8Very high42 Ų4259.8 Ų59.816%0.15931%0.313CS..Hα-helixtrans-58.8-48.5177.9178.879.3000111.9R55 R56 S57 V61 I62 S63 I86 E87 E131 V132R55-W59 WeakPolarHBondContact O-CB 3.48Å; R55-W59 PolarHBondContact O-N 3.16Å; R56-W59 PolarHBondContact O-N 3.42Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.43Å; W59-V61 VanDerWaalsContact C-N 3.32Å; W59-V61 PolarHBondContact O-N 3.49Å; W59-I62 PolarHBondContact O-N 3.02Å; W59-S63 WeakPolarHBondContact O-CB 3.37Å; W59-S63 PolarHBondContact O-N 3.32Å; W59-S63 PolarHBondContact O-OG 3.1Å; W59-I86 HydrophobicContact CB-CG2 3.76Å; W59-E87 VanDerWaalsContact CD1-CG 3.5Å; W59-E87 VanDerWaalsContact NE1-CG 3.33Å; W59-E87 PolarHBondContact NE1-OE1 3.45Å; W59-E131 VanDerWaalsContact CH2-O 3.29Å; W59-E131 WeakPolarHBondContact CH2-O 3.34Å; W59-V132 HydrophobicContact CD2-CG1 3.84Å; W59-V132 HydrophobicContact CE3-CG1 4.35Å; W59-V132 HydrophobicContact CG-CG1 4.21Å; W59-V132 HydrophobicContact CH2-CG1 4.37Å; W59-V132 HydrophobicContact CZ2-CB 4.48Å; W59-V132 HydrophobicContact CZ2-CG1 3.87Å
60R94.9Very high92.5Very high120 Ų12061.7 Ų61.745%0.45332%0.324SS..Hα-helixtrans-58.7-42.7178.5-71.8179.9-171.6143.4-9112.8R56 S57 S58 S64R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 3Å; S57-R60 PolarHBondContact O-N 2.84Å; S58-R60 PolarHBondContact O-N 3.25Å; R60-S64 WeakPolarHBondContact O-CB 3.3Å; R60-S64 PolarHBondContact O-N 3.29Å
61V95.5Very high91.4Very high79 Ų7971.4 Ų71.448%0.47936%0.357SS..Hα-helixtrans-63-48.4178.7172.20000110.5S57 S58 W59 S64 I65S57-V61 WeakPolarHBondContact O-CG2 3.3Å; S57-V61 PolarHBondContact O-N 3.47Å; S58-V61 PolarHBondContact O-N 3.34Å; W59-V61 VanDerWaalsContact C-N 3.32Å; W59-V61 PolarHBondContact O-N 3.49Å; V61-S64 PolarHBondContact O-N 3.18Å; V61-I65 HydrophobicContact CG1-CD1 3.86Å; V61-I65 WeakPolarHBondContact O-CG1 3.46Å; V61-I65 PolarHBondContact O-N 3.01Å
62I94.9Very high90.9Very high30 Ų3074.4 Ų74.415%0.15437%0.373CS..Hα-helixtrans-67.8-43-178-63.2-60.3000111.3S58 W59 S64 I65 E66 Y82 R83 I86S58-I62 WeakPolarHBondContact O-CG1 3.44Å; S58-I62 PolarHBondContact O-N 3.03Å; W59-I62 PolarHBondContact O-N 3.02Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 3.13Å; I62-I65 HydrophobicContact CD1-CD1 4.42Å; I62-I65 PolarHBondContact O-N 3.35Å; I62-I65 VanDerWaalsContact O-N 3.13Å; I62-E66 WeakPolarHBondContact O-CB 3.44Å; I62-E66 PolarHBondContact O-N 3.48Å; I62-Y82 HydrophobicContact CD1-CD1 3.65Å; I62-Y82 HydrophobicContact CD1-CE1 3.89Å; I62-Y82 HydrophobicContact CG1-CD1 3.72Å; I62-Y82 HydrophobicContact CG1-CE1 3.99Å; I62-Y82 HydrophobicContact CG2-CD1 4.16Å; I62-R83 HydrophobicContact CG2-CB 3.93Å; I62-I86 HydrophobicContact CB-CD1 4.27Å; I62-I86 HydrophobicContact CG1-CD1 3.76Å
63S92.6Very high90.4Very high16 Ų1682.3 Ų82.311%0.11241%0.41CS..Hα-helixtrans-57.9-40.6174.1-64.40000111.8W59 Q67 R83W59-S63 WeakPolarHBondContact O-CB 3.37Å; W59-S63 PolarHBondContact O-N 3.32Å; W59-S63 PolarHBondContact O-OG 3.1Å; S63-Q67 VanDerWaalsContact O-CG 3.3Å; S63-Q67 WeakPolarHBondContact O-CG 3.37Å; S63-Q67 PolarHBondContact O-N 3.14Å; S63-Q67 VanDerWaalsContact O-N 3.1Å; S63-R83 VanDerWaalsContact OG-CD 3.3Å; S63-R83 WeakPolarHBondContact OG-CD 3.49Å
64S92.1Very high90Very high43 Ų4389 Ų8930%0.30143%0.431SS..Hα-helixtrans-67.2-38.2175.7-170.60000112.9R60 V61 I62 K68R60-S64 WeakPolarHBondContact O-CB 3.3Å; R60-S64 PolarHBondContact O-N 3.29Å; V61-S64 PolarHBondContact O-N 3.18Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 3.13Å; S64-K68 WeakPolarHBondContact O-CG 3.31Å; S64-K68 PolarHBondContact O-N 3.21Å
65I90.2Very high89.6Confident91 Ų9192.9 Ų92.947%0.46744%0.439SS..Hα-helixtrans-67.7-44.5176.5-69167.1000110.6V61 I62 Q67 K68 T69V61-I65 HydrophobicContact CG1-CD1 3.86Å; V61-I65 WeakPolarHBondContact O-CG1 3.46Å; V61-I65 PolarHBondContact O-N 3.01Å; I62-I65 HydrophobicContact CD1-CD1 4.42Å; I62-I65 PolarHBondContact O-N 3.35Å; I62-I65 VanDerWaalsContact O-N 3.13Å; I65-Q67 PolarHBondContact O-N 3.3Å; I65-K68 PolarHBondContact O-N 3.32Å; I65-T69 WeakPolarHBondContact O-CB 3.34Å; I65-T69 PolarHBondContact O-N 3.04Å; I65-T69 PolarHBondContact O-OG1 3.37Å
66E87.7Confident89.2Confident32 Ų3294.4 Ų94.415%0.1545%0.448CS..Hα-helixtrans-57.7-48.5178.3-174.8-177.1169.600110.8I62 K68 T69 K80 R83I62-E66 WeakPolarHBondContact O-CB 3.44Å; I62-E66 PolarHBondContact O-N 3.48Å; E66-K68 VanDerWaalsContact C-N 3.28Å; E66-K68 PolarHBondContact O-N 3.31Å; E66-T69 PolarHBondContact O-N 3.02Å; E66-T69 VanDerWaalsContact O-N 3.14Å; E66-K80 WeakPolarHBondContact OE1-CB 3.37Å; E66-R83 IonicContact OE1-NE 3.3Å; E66-R83 IonicContact OE1-NH2 3.08Å; E66-R83 WeakPolarHBondContact OE2-CD 3.47Å; E66-R83 IonicContact OE2-CZ 2.93Å; E66-R83 IonicContact OE2-NE 3.94Å; E66-R83 PolarHBondContact OE2-NE 2.95Å; E66-R83 IonicContact OE2-NH2 3.41Å
67Q85.6Confident88.9Confident144 Ų14497.3 Ų97.367%0.67346%0.463SS*.Hα-helixtrans-60.2-33.1178-73.9174-1.800113.4S63 I65 T69S63-Q67 VanDerWaalsContact O-CG 3.3Å; S63-Q67 WeakPolarHBondContact O-CG 3.37Å; S63-Q67 PolarHBondContact O-N 3.14Å; S63-Q67 VanDerWaalsContact O-N 3.1Å; I65-Q67 PolarHBondContact O-N 3.3Å; Q67-T69 VanDerWaalsContact C-N 3.35Å
68K87.8Confident88.7Confident166 Ų166100.4 Ų100.472%0.72247%0.472SS*.Hα-helixtrans-82.2-9.6-179.9-70.5171.6-178.6168.40113.8S64 I65 E66 E70S64-K68 WeakPolarHBondContact O-CG 3.31Å; S64-K68 PolarHBondContact O-N 3.21Å; I65-K68 PolarHBondContact O-N 3.32Å; E66-K68 VanDerWaalsContact C-N 3.28Å; E66-K68 PolarHBondContact O-N 3.31Å; K68-E70 PolarHBondContact O-N 3.43Å
69T81.2Confident88.5Confident34 Ų3498.2 Ų98.221%0.20946%0.458CS..  trans-98.342.6-168.4-55.30000113I65 E66 Q67 R71 K75I65-T69 WeakPolarHBondContact O-CB 3.34Å; I65-T69 PolarHBondContact O-N 3.04Å; I65-T69 PolarHBondContact O-OG1 3.37Å; E66-T69 PolarHBondContact O-N 3.02Å; E66-T69 VanDerWaalsContact O-N 3.14Å; Q67-T69 VanDerWaalsContact C-N 3.35Å; T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 3.44Å; T69-K75 HydrophobicContact CG2-CB 3.48Å; T69-K75 VanDerWaalsContact CG2-CB 3.48Å; T69-K75 HydrophobicContact CG2-CD 4.36Å
70E68.8Low88.3Confident157 Ų157100.1 Ų100.173%0.73447%0.468SS*.THydrogen-bonded Turntrans-70.3-17.2-169-60.6-177.5160.400115.8K68K68-E70 PolarHBondContact O-N 3.43Å
71R75.8Confident88.3Confident250 Ų25099.5 Ų99.594%0.94347%0.47SS*.THydrogen-bonded Turntrans-100.70.7-170.8-64.2-173.4-178.5-173.70.5115.2T69T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 3.44Å
72N85.3Confident88.3Confident69 Ų69101.8 Ų101.837%0.36947%0.471SS..  trans-138.199.6-177.9-173.5-41.5000111.1K74 K75 Q76N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 2.95Å; N72-K74 PolarHBondContact OD1-N 3.48Å; N72-K75 HydrophobicContact CB-CB 4.14Å; N72-K75 HydrophobicContact CB-CD 4.27Å; N72-K75 HydrophobicContact CB-CG 4.26Å; N72-K75 PolarHBondContact O-N 3.34Å; N72-K75 PolarHBondContact OD1-N 3.13Å; N72-K75 VanDerWaalsContact OD1-N 3.1Å; N72-Q76 PolarHBondContact O-N 3.08Å
73E87Confident88.3Confident168 Ų168102.4 Ų102.479%0.78547%0.471SS*.Hα-helixtrans-53.2-40.2-177.4-64.5177170.100113.2Q76 Q77E73-Q76 PolarHBondContact O-N 3.19Å; E73-Q77 WeakPolarHBondContact O-CB 3.44Å; E73-Q77 PolarHBondContact O-N 3.39Å
74K89.4Confident88.5Confident170 Ų170105.8 Ų105.874%0.73949%0.485SS*.Hα-helixtrans-66.1-43.8178.7-70.6-173.2178.2-177.50111.9N72 Q76 Q77 M78N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 2.95Å; N72-K74 PolarHBondContact OD1-N 3.48Å; K74-Q76 VanDerWaalsContact C-N 3.34Å; K74-Q77 PolarHBondContact O-N 2.88Å; K74-M78 WeakPolarHBondContact O-CG 3.47Å; K74-M78 PolarHBondContact O-N 3.45Å; K74-M78 VanDerWaalsContact O-N 3.08Å
75K87.7Confident88.7Confident131 Ų131109.3 Ų109.357%0.5750%0.495SS*.Hα-helixtrans-69.3-35.8178.1-69.3-173.8174.8-173.30111.7T69 N72 M78 G79T69-K75 HydrophobicContact CG2-CB 3.48Å; T69-K75 VanDerWaalsContact CG2-CB 3.48Å; T69-K75 HydrophobicContact CG2-CD 4.36Å; N72-K75 HydrophobicContact CB-CB 4.14Å; N72-K75 HydrophobicContact CB-CD 4.27Å; N72-K75 HydrophobicContact CB-CG 4.26Å; N72-K75 PolarHBondContact O-N 3.34Å; N72-K75 PolarHBondContact OD1-N 3.13Å; N72-K75 VanDerWaalsContact OD1-N 3.1Å; K75-M78 PolarHBondContact O-N 2.94Å; K75-G79 PolarHBondContact O-N 2.97Å
76Q88.6Confident89.1Confident85 Ų85105.3 Ų105.340%0.39748%0.475SS..Hα-helixtrans-62.5-46.6174.9-170.8178.720.500111N72 E73 K74 M78 G79 K80N72-Q76 PolarHBondContact O-N 3.08Å; E73-Q76 PolarHBondContact O-N 3.19Å; K74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-M78 PolarHBondContact O-N 3.41Å; Q76-G79 PolarHBondContact O-N 2.86Å; Q76-K80 PolarHBondContact O-N 3.13Å
77Q91.4Very high89.5Confident91 Ų91105 Ų10543%0.42547%0.473SS..Hα-helixtrans-60.9-43.8176.6-176.158.831.800112.2E73 K74 G79 K80 E81E73-Q77 WeakPolarHBondContact O-CB 3.44Å; E73-Q77 PolarHBondContact O-N 3.39Å; K74-Q77 PolarHBondContact O-N 2.88Å; Q77-G79 VanDerWaalsContact C-N 3.34Å; Q77-G79 PolarHBondContact O-N 3.41Å; Q77-K80 PolarHBondContact O-N 3.35Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.33Å; Q77-E81 PolarHBondContact NE2-OE1 2.82Å; Q77-E81 WeakPolarHBondContact O-CG 3Å; Q77-E81 PolarHBondContact O-N 2.93Å
78M92.2Very high90Very high131 Ų131100.2 Ų100.265%0.64546%0.458SS*.Hα-helixtrans-61.6-40.3175.3-70.6175.869.100112.6K74 K75 Q76 Y82K74-M78 WeakPolarHBondContact O-CG 3.47Å; K74-M78 PolarHBondContact O-N 3.45Å; K74-M78 VanDerWaalsContact O-N 3.08Å; K75-M78 PolarHBondContact O-N 2.94Å; Q76-M78 PolarHBondContact O-N 3.41Å; M78-Y82 WeakPolarHBondContact O-CB 3.48Å; M78-Y82 PolarHBondContact O-N 2.75Å; M78-Y82 VanDerWaalsContact O-N 3.14Å
79G92.5Very high90.5Very high14 Ų1495.6 Ų95.614%0.14444%0.439CS..Hα-helixtrans-62-46.917600000111.6K75 Q76 Q77 Y82 R83K75-G79 PolarHBondContact O-N 2.97Å; Q76-G79 PolarHBondContact O-N 2.86Å; Q77-G79 VanDerWaalsContact C-N 3.34Å; Q77-G79 PolarHBondContact O-N 3.41Å; G79-Y82 PolarHBondContact O-N 2.83Å; G79-R83 WeakPolarHBondContact O-CB 3.42Å; G79-R83 PolarHBondContact O-N 3.24Å
80K92.7Very high91.2Very high82 Ų8294 Ų9436%0.35743%0.429SS..Hα-helixtrans-58.4-51.5177.4-176.4-179.2173.9-178.90112.5E66 Q76 Q77 Y82 R83 E84E66-K80 WeakPolarHBondContact OE1-CB 3.37Å; Q76-K80 PolarHBondContact O-N 3.13Å; Q77-K80 PolarHBondContact O-N 3.35Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 PolarHBondContact O-N 3.3Å; K80-R83 WeakPolarHBondContact O-CB 3.34Å; K80-R83 PolarHBondContact O-N 3.14Å; K80-E84 WeakPolarHBondContact CE-OE1 3.34Å; K80-E84 IonicContact NZ-OE1 2.73Å; K80-E84 WeakPolarHBondContact O-CG 3.47Å; K80-E84 PolarHBondContact O-N 2.96Å
81E95.1Very high92.5Very high106 Ų10690.1 Ų90.150%0.49541%0.412SS..Hα-helixtrans-60-39.7179.7-73.9170.6-169.100111.8Q77 K85Q77-E81 WeakPolarHBondContact CG-OE1 3.33Å; Q77-E81 PolarHBondContact NE2-OE1 2.82Å; Q77-E81 WeakPolarHBondContact O-CG 3Å; Q77-E81 PolarHBondContact O-N 2.93Å; E81-K85 PolarHBondContact O-N 3.47Å
82Y96.2Very high93.5Very high128 Ų12883.6 Ų83.650%0.50240%0.395SS..Hα-helixtrans-72.6-36.4179-160.2-112000112.3I62 M78 G79 K80 K85 I86I62-Y82 HydrophobicContact CD1-CD1 3.65Å; I62-Y82 HydrophobicContact CD1-CE1 3.89Å; I62-Y82 HydrophobicContact CG1-CD1 3.72Å; I62-Y82 HydrophobicContact CG1-CE1 3.99Å; I62-Y82 HydrophobicContact CG2-CD1 4.16Å; M78-Y82 WeakPolarHBondContact O-CB 3.48Å; M78-Y82 PolarHBondContact O-N 2.75Å; M78-Y82 VanDerWaalsContact O-N 3.14Å; G79-Y82 PolarHBondContact O-N 2.83Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 PolarHBondContact O-N 3.3Å; Y82-K85 PolarHBondContact O-N 3.42Å; Y82-I86 HydrophobicContact CD1-CD1 3.96Å; Y82-I86 HydrophobicContact CE1-CD1 3.85Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.16Å
83R95.5Very high94.1Very high43 Ų4381.4 Ų81.416%0.16238%0.383CS..Hα-helixtrans-59.6-51.3171.1-177.9-176.65171.210.9110.7I62 S63 E66 G79 K80 K85 I86 E87I62-R83 HydrophobicContact CG2-CB 3.93Å; S63-R83 VanDerWaalsContact OG-CD 3.3Å; S63-R83 WeakPolarHBondContact OG-CD 3.49Å; E66-R83 IonicContact OE1-NE 3.3Å; E66-R83 IonicContact OE1-NH2 3.08Å; E66-R83 WeakPolarHBondContact OE2-CD 3.47Å; E66-R83 IonicContact OE2-CZ 2.93Å; E66-R83 IonicContact OE2-NE 3.94Å; E66-R83 PolarHBondContact OE2-NE 2.95Å; E66-R83 IonicContact OE2-NH2 3.41Å; G79-R83 WeakPolarHBondContact O-CB 3.42Å; G79-R83 PolarHBondContact O-N 3.24Å; K80-R83 WeakPolarHBondContact O-CB 3.34Å; K80-R83 PolarHBondContact O-N 3.14Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 2.93Å; R83-I86 PolarHBondContact O-N 3.47Å; R83-E87 WeakPolarHBondContact CD-OE1 3.07Å; R83-E87 HydrophobicContact CG-CG 4.38Å; R83-E87 WeakPolarHBondContact CG-OE1 3.17Å; R83-E87 IonicContact CZ-OE1 2.95Å; R83-E87 IonicContact NE-OE1 3.7Å; R83-E87 IonicContact NH1-OE1 2.82Å; R83-E87 PolarHBondContact NH1-OE1 3.46Å; R83-E87 IonicContact NH1-OE2 3.31Å; R83-E87 PolarHBondContact NH1-OE2 3.46Å; R83-E87 WeakPolarHBondContact O-CG 3.31Å; R83-E87 PolarHBondContact O-N 2.91Å
84E95.3Very high94.7Very high86 Ų8673.4 Ų73.440%0.40235%0.346SS..Hα-helixtrans-60.8-35.8-179-73.2173.8177.800112.1K80 E87 A88K80-E84 WeakPolarHBondContact CE-OE1 3.34Å; K80-E84 IonicContact NZ-OE1 2.73Å; K80-E84 WeakPolarHBondContact O-CG 3.47Å; K80-E84 PolarHBondContact O-N 2.96Å; E84-E87 PolarHBondContact O-N 3.48Å; E84-A88 PolarHBondContact O-N 2.94Å
85K97.3Very high95.1Very high118 Ų11869.2 Ų69.251%0.51333%0.331SS..Hα-helixtrans-60.6-47.2171.8-177.4-177.2174.5-173.60112.2E81 Y82 R83 E87 A88 E89E81-K85 PolarHBondContact O-N 3.47Å; Y82-K85 PolarHBondContact O-N 3.42Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 2.93Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 3.39Å; K85-A88 PolarHBondContact O-N 3.39Å; K85-E89 VanDerWaalsContact CE-OE1 3.3Å; K85-E89 WeakPolarHBondContact CE-OE1 3.49Å; K85-E89 PolarHBondContact O-N 3.33Å; K85-E89 VanDerWaalsContact O-N 3.12Å
86I97.1Very high95.5Very high6 Ų664.6 Ų64.63%0.03131%0.313CS..Hα-helixtrans-66.3-37.2179.2-62.2164.2000110.6R55 W59 I62 Y82 R83 E89 L90R55-I86 HydrophobicContact CB-CG2 4.4Å; R55-I86 WeakPolarHBondContact O-CG2 3.31Å; W59-I86 HydrophobicContact CB-CG2 3.76Å; I62-I86 HydrophobicContact CB-CD1 4.27Å; I62-I86 HydrophobicContact CG1-CD1 3.76Å; Y82-I86 HydrophobicContact CD1-CD1 3.96Å; Y82-I86 HydrophobicContact CE1-CD1 3.85Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.16Å; R83-I86 PolarHBondContact O-N 3.47Å; I86-E89 PolarHBondContact O-N 2.87Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 PolarHBondContact O-N 3.31Å
87E96.3Very high96Very high25 Ų2560.7 Ų60.712%0.11730%0.295CS..Hα-helixtrans-60.8-43.6175.4-71.1175.1176.100111.7W59 R83 E84 K85 L90 Q91 V132W59-E87 VanDerWaalsContact CD1-CG 3.5Å; W59-E87 VanDerWaalsContact NE1-CG 3.33Å; W59-E87 PolarHBondContact NE1-OE1 3.45Å; R83-E87 WeakPolarHBondContact CD-OE1 3.07Å; R83-E87 HydrophobicContact CG-CG 4.38Å; R83-E87 WeakPolarHBondContact CG-OE1 3.17Å; R83-E87 IonicContact CZ-OE1 2.95Å; R83-E87 IonicContact NE-OE1 3.7Å; R83-E87 IonicContact NH1-OE1 2.82Å; R83-E87 PolarHBondContact NH1-OE1 3.46Å; R83-E87 IonicContact NH1-OE2 3.31Å; R83-E87 PolarHBondContact NH1-OE2 3.46Å; R83-E87 WeakPolarHBondContact O-CG 3.31Å; R83-E87 PolarHBondContact O-N 2.91Å; E84-E87 PolarHBondContact O-N 3.48Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 3.39Å; E87-L90 PolarHBondContact O-N 3.08Å; E87-Q91 WeakPolarHBondContact O-CB 3.29Å; E87-Q91 VanDerWaalsContact O-CG 3.24Å; E87-Q91 WeakPolarHBondContact O-CG 3.02Å; E87-Q91 PolarHBondContact O-N 2.84Å; E87-V132 HydrophobicContact CG-CB 4.04Å; E87-V132 HydrophobicContact CG-CG1 4.16Å
88A96.8Very high96.3Very high44 Ų4456.8 Ų56.836%0.36428%0.277SS..Hα-helixtrans-61.3-46.7175.200000111.7E84 K85 L90 Q91 D92E84-A88 PolarHBondContact O-N 2.94Å; K85-A88 PolarHBondContact O-N 3.39Å; A88-L90 VanDerWaalsContact C-N 3.32Å; A88-L90 PolarHBondContact O-N 2.63Å; A88-Q91 PolarHBondContact O-N 3.15Å; A88-D92 PolarHBondContact O-N 2.91Å
89E97.5Very high96.6Very high69 Ų6954.8 Ų54.832%0.32227%0.266SS..Hα-helixtrans-59.2-43.1176.1-69176.2-161.900111.8R55 K85 I86 D92 I93R55-E89 HydrophobicContact CG-CB 4.35Å; R55-E89 IonicContact NE-OE2 2.81Å; K85-E89 VanDerWaalsContact CE-OE1 3.3Å; K85-E89 WeakPolarHBondContact CE-OE1 3.49Å; K85-E89 PolarHBondContact O-N 3.33Å; K85-E89 VanDerWaalsContact O-N 3.12Å; I86-E89 PolarHBondContact O-N 2.87Å; E89-D92 PolarHBondContact O-N 2.99Å; E89-I93 VanDerWaalsContact O-CD1 3.28Å; E89-I93 WeakPolarHBondContact O-CD1 3.25Å; E89-I93 VanDerWaalsContact O-CG1 3.22Å; E89-I93 WeakPolarHBondContact O-CG1 3.06Å; E89-I93 PolarHBondContact O-N 2.89Å
90L96.8Very high96.9Very high0 Ų054.3 Ų54.30%026%0.26CS..Hα-helixtrans-64.6-43.2177.8-171.8156.7000111.4V52 R56 I86 E87 A88 I93 C94 V132V52-L90 HydrophobicContact CG2-CG 4.41Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.51Å; R56-L90 HydrophobicContact CG-CG 4.49Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 PolarHBondContact O-N 3.31Å; E87-L90 PolarHBondContact O-N 3.08Å; A88-L90 VanDerWaalsContact C-N 3.32Å; A88-L90 PolarHBondContact O-N 2.63Å; L90-I93 PolarHBondContact O-N 3.05Å; L90-C94 WeakPolarHBondContact O-CB 3.49Å; L90-C94 PolarHBondContact O-N 3.27Å; L90-C94 PolarHBondContact O-SG 2.77Å; L90-V132 HydrophobicContact CD1-CG1 4.05Å; L90-V132 HydrophobicContact CD2-CG1 4.41Å; L90-V132 HydrophobicContact CD2-CG2 3.96Å
91Q96.5Very high97.2Very high77 Ų7750.4 Ų50.436%0.3624%0.243SC..Hα-helixtrans-60.9-45.8176.6-75.3173.59.200111.3E87 A88 I93 C94 N95 L129 V132E87-Q91 WeakPolarHBondContact O-CB 3.29Å; E87-Q91 VanDerWaalsContact O-CG 3.24Å; E87-Q91 WeakPolarHBondContact O-CG 3.02Å; E87-Q91 PolarHBondContact O-N 2.84Å; A88-Q91 PolarHBondContact O-N 3.15Å; Q91-I93 PolarHBondContact O-N 3.33Å; Q91-C94 PolarHBondContact O-N 2.87Å; Q91-N95 WeakPolarHBondContact O-CB 3.49Å; Q91-N95 VanDerWaalsContact O-CG 3.23Å; Q91-N95 PolarHBondContact O-N 3.02Å; Q91-N95 PolarHBondContact O-ND2 3.15Å; Q91-N95 VanDerWaalsContact O-ND2 3.13Å; Q91-L129 HydrophobicContact CB-CD2 4.19Å; Q91-L129 HydrophobicContact CG-CD2 3.85Å; Q91-V132 HydrophobicContact CG-CG2 4.4Å
92D97.4Very high97.3Very high112 Ų11249 Ų4960%0.59924%0.239SC*.Hα-helixtrans-60.5-47177.9-72.2-17.4000111.4A88 E89 C94 N95 D96A88-D92 PolarHBondContact O-N 2.91Å; E89-D92 PolarHBondContact O-N 2.99Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 3.49Å; D92-N95 PolarHBondContact O-N 3.28Å; D92-D96 WeakPolarHBondContact O-CB 3.42Å; D92-D96 PolarHBondContact O-N 3.4Å
93I97.9Very high97.4Very high24 Ų2448.8 Ų48.812%0.12324%0.241CC..Hα-helixtrans-60.4-43.9177.1-67157.2000111Y48 V51 V52 R55 E89 L90 Q91 V97Y48-I93 HydrophobicContact CD1-CG2 4.18Å; V51-I93 HydrophobicContact CG1-CD1 3.63Å; V51-I93 HydrophobicContact CG1-CG1 3.94Å; V51-I93 HydrophobicContact CG1-CG2 4.07Å; V52-I93 HydrophobicContact CB-CG2 4.04Å; V52-I93 HydrophobicContact CG2-CG2 4.32Å; R55-I93 HydrophobicContact CG-CD1 3.98Å; E89-I93 VanDerWaalsContact O-CD1 3.28Å; E89-I93 WeakPolarHBondContact O-CD1 3.25Å; E89-I93 VanDerWaalsContact O-CG1 3.22Å; E89-I93 WeakPolarHBondContact O-CG1 3.06Å; E89-I93 PolarHBondContact O-N 2.89Å; L90-I93 PolarHBondContact O-N 3.05Å; Q91-I93 PolarHBondContact O-N 3.33Å; I93-V97 PolarHBondContact O-N 3.08Å
94C97.9Very high97.5Very high0 Ų049.9 Ų49.90%025%0.245CC..Hα-helixtrans-68.7-43.6-179.1-65.30000112L90 Q91 D92 D96 V97 L98 Y125 L129L90-C94 WeakPolarHBondContact O-CB 3.49Å; L90-C94 PolarHBondContact O-N 3.27Å; L90-C94 PolarHBondContact O-SG 2.77Å; Q91-C94 PolarHBondContact O-N 2.87Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 3.49Å; C94-D96 VanDerWaalsContact C-N 3.29Å; C94-D96 PolarHBondContact O-N 3.48Å; C94-V97 PolarHBondContact O-N 2.9Å; C94-L98 WeakPolarHBondContact O-CB 3.38Å; C94-L98 WeakPolarHBondContact O-CG 3.46Å; C94-L98 PolarHBondContact O-N 3.36Å; C94-Y125 HydrophobicContact CB-CD1 4.07Å; C94-L129 HydrophobicContact CB-CD1 4.03Å; C94-L129 HydrophobicContact CB-CD2 3.63Å; C94-L129 HydrophobicContact CB-CG 3.58Å
95N97.7Very high97.6Very high81 Ų8146 Ų4643%0.43323%0.228SC..Hα-helixtrans-63.8-37.4178-71.8-31000111.6Q91 D92 L98 E99Q91-N95 WeakPolarHBondContact O-CB 3.49Å; Q91-N95 VanDerWaalsContact O-CG 3.23Å; Q91-N95 PolarHBondContact O-N 3.02Å; Q91-N95 PolarHBondContact O-ND2 3.15Å; Q91-N95 VanDerWaalsContact O-ND2 3.13Å; D92-N95 PolarHBondContact O-N 3.28Å; N95-L98 PolarHBondContact O-N 2.9Å; N95-E99 WeakPolarHBondContact O-CB 3.42Å; N95-E99 PolarHBondContact O-N 2.97Å
96D97.8Very high97.6Very high35 Ų3541.8 Ų41.819%0.18721%0.21CC..Hα-helixtrans-57.9-49.5174.2-171.637.4000111.7K27 Y48 D92 C94 E99 L100K27-D96 WeakPolarHBondContact CD-OD1 3.43Å; K27-D96 VanDerWaalsContact CE-OD1 3.22Å; K27-D96 WeakPolarHBondContact CE-OD1 3.43Å; K27-D96 IonicContact NZ-OD1 2.87Å; K27-D96 PolarHBondContact NZ-OD1 3.21Å; K27-D96 IonicContact NZ-OD2 3.65Å; Y48-D96 WeakPolarHBondContact CE1-OD2 3.45Å; Y48-D96 PolarHBondContact OH-OD2 2.91Å; D92-D96 WeakPolarHBondContact O-CB 3.42Å; D92-D96 PolarHBondContact O-N 3.4Å; C94-D96 VanDerWaalsContact C-N 3.29Å; C94-D96 PolarHBondContact O-N 3.48Å; D96-E99 PolarHBondContact O-N 2.88Å; D96-L100 WeakPolarHBondContact O-CG 3.2Å; D96-L100 PolarHBondContact O-N 3.23Å; D96-L100 VanDerWaalsContact O-N 3.08Å
97V98.3Very high97.6Very high3 Ų345.5 Ų45.52%0.01824%0.235CC..Hα-helixtrans-64.7-43.9177.21750000112.1Y48 I93 C94 E99 L100 L101 M121 Y125Y48-V97 HydrophobicContact CD1-CG2 3.15Å; Y48-V97 HydrophobicContact CD2-CG2 3.91Å; Y48-V97 HydrophobicContact CE1-CG2 3.42Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.42Å; Y48-V97 HydrophobicContact CE2-CG2 4.14Å; Y48-V97 HydrophobicContact CG-CG2 3.41Å; Y48-V97 VanDerWaalsContact CG-CG2 3.41Å; I93-V97 PolarHBondContact O-N 3.08Å; C94-V97 PolarHBondContact O-N 2.9Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 PolarHBondContact O-N 2.94Å; V97-L100 PolarHBondContact O-N 3.35Å; V97-L101 HydrophobicContact CG1-CD1 3.7Å; V97-L101 HydrophobicContact CG1-CG 4.17Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 2.91Å; V97-M121 HydrophobicContact CG1-CE 3.78Å; V97-M121 HydrophobicContact CG1-CG 4.43Å; V97-M121 HydrophobicContact CG1-SD 4.47Å; V97-Y125 HydrophobicContact CB-CD1 3.99Å; V97-Y125 HydrophobicContact CB-CD2 4.16Å; V97-Y125 HydrophobicContact CB-CE1 4.04Å; V97-Y125 HydrophobicContact CB-CE2 4.28Å; V97-Y125 HydrophobicContact CB-CG 4.06Å; V97-Y125 HydrophobicContact CG1-CD1 4.22Å; V97-Y125 HydrophobicContact CG1-CD2 3.48Å; V97-Y125 VanDerWaalsContact CG1-CD2 3.48Å; V97-Y125 HydrophobicContact CG1-CE1 4.26Å; V97-Y125 HydrophobicContact CG1-CE2 3.59Å; V97-Y125 HydrophobicContact CG1-CG 3.86Å; V97-Y125 HydrophobicContact CG2-CD1 4.16Å; V97-Y125 HydrophobicContact CG2-CE1 3.71Å; V97-Y125 HydrophobicContact CG2-CE2 4.31Å
98L98.5Very high97.5Very high9 Ų947.3 Ų47.35%0.04725%0.245CC..Hα-helixtrans-61.7-38.9179.4-70.6171.2000111.4C94 N95 L101 D102 K122 F126 L129C94-L98 WeakPolarHBondContact O-CB 3.38Å; C94-L98 WeakPolarHBondContact O-CG 3.46Å; C94-L98 PolarHBondContact O-N 3.36Å; N95-L98 PolarHBondContact O-N 2.9Å; L98-L101 HydrophobicContact CD2-CD1 4.47Å; L98-L101 PolarHBondContact O-N 3.42Å; L98-D102 WeakPolarHBondContact O-CB 3.22Å; L98-D102 PolarHBondContact O-N 3.36Å; L98-K122 HydrophobicContact CD2-CG 3.85Å; L98-F126 HydrophobicContact CD1-CD1 3.87Å; L98-F126 HydrophobicContact CD1-CE1 3.6Å; L98-F126 HydrophobicContact CD1-CE2 4.31Å; L98-F126 HydrophobicContact CD1-CG 4.32Å; L98-F126 HydrophobicContact CD1-CZ 3.83Å; L98-F126 HydrophobicContact CD2-CD2 3.77Å; L98-F126 HydrophobicContact CD2-CE1 4.39Å; L98-F126 HydrophobicContact CD2-CE2 3.59Å; L98-F126 HydrophobicContact CD2-CG 4.24Å; L98-F126 HydrophobicContact CD2-CZ 3.92Å; L98-F126 HydrophobicContact CG-CZ 4.45Å; L98-L129 HydrophobicContact CD1-CD1 3.61Å
99E98.4Very high97.4Very high89 Ų8946.1 Ų46.142%0.41624%0.235SC..Hα-helixtrans-63.6-43.5174.3-176.5173.6-175.900111.7N95 D96 V97 L101 D102 K103N95-E99 WeakPolarHBondContact O-CB 3.42Å; N95-E99 PolarHBondContact O-N 2.97Å; D96-E99 PolarHBondContact O-N 2.88Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 PolarHBondContact O-N 2.94Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.37Å; E99-D102 PolarHBondContact O-N 3Å; E99-K103 HydrophobicContact CG-CD 3.76Å; E99-K103 HydrophobicContact CG-CG 4.33Å; E99-K103 VanDerWaalsContact O-CB 3.31Å; E99-K103 WeakPolarHBondContact O-CB 3.47Å; E99-K103 WeakPolarHBondContact O-CG 3.44Å; E99-K103 PolarHBondContact O-N 3.04Å; E99-K103 WeakPolarHBondContact OE1-CE 3.43Å; E99-K103 IonicContact OE1-NZ 3.28Å; E99-K103 PolarHBondContact OE1-NZ 3.23Å
100L98.4Very high97.2Very high4 Ų447.2 Ų47.22%0.02125%0.247CC..Hα-helixtrans-62.1-42.2175.7-67.1176.9000112.2K27 T30 E31 Y48 D96 V97 Y104 L105K27-L100 HydrophobicContact CB-CD1 4.21Å; K27-L100 HydrophobicContact CG-CD1 4.07Å; K27-L100 HydrophobicContact CG-CD2 4.15Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.98Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; E31-L100 HydrophobicContact CG-CD2 3.83Å; Y48-L100 HydrophobicContact CE2-CD1 4.12Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.45Å; D96-L100 WeakPolarHBondContact O-CG 3.2Å; D96-L100 PolarHBondContact O-N 3.23Å; D96-L100 VanDerWaalsContact O-N 3.08Å; V97-L100 PolarHBondContact O-N 3.35Å; L100-Y104 HydrophobicContact CD2-CD2 4Å; L100-Y104 HydrophobicContact CD2-CE2 4.23Å; L100-Y104 PolarHBondContact O-N 3.43Å; L100-L105 HydrophobicContact CB-CD1 4.38Å; L100-L105 PolarHBondContact O-N 3.45Å; L100-L105 VanDerWaalsContact O-N 3.08Å
101L98.4Very high97.1Very high0 Ų052.4 Ų52.40%027%0.271CS..Iπ-helixtrans-61.9-47.5178.4-72.4166.8000111.6V97 L98 E99 L105 I106 Y118 M121 K122V97-L101 HydrophobicContact CG1-CD1 3.7Å; V97-L101 HydrophobicContact CG1-CG 4.17Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 2.91Å; L98-L101 HydrophobicContact CD2-CD1 4.47Å; L98-L101 PolarHBondContact O-N 3.42Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.37Å; L101-L105 HydrophobicContact CD2-CB 4.32Å; L101-L105 HydrophobicContact CD2-CD1 3.81Å; L101-L105 HydrophobicContact CG-CD1 4.32Å; L101-L105 PolarHBondContact O-N 2.98Å; L101-I106 HydrophobicContact CB-CD1 4.07Å; L101-I106 HydrophobicContact CB-CG1 4.45Å; L101-I106 WeakPolarHBondContact O-CB 3.36Å; L101-I106 WeakPolarHBondContact O-CG1 3.26Å; L101-I106 PolarHBondContact O-N 3.08Å; L101-Y118 HydrophobicContact CD2-CD1 3.91Å; L101-Y118 HydrophobicContact CD2-CG 4.15Å; L101-M121 HydrophobicContact CD1-CB 4.29Å; L101-M121 HydrophobicContact CD1-CG 4.22Å; L101-M121 HydrophobicContact CD2-CB 4.31Å; L101-M121 HydrophobicContact CD2-SD 4.3Å; L101-K122 HydrophobicContact CD1-CB 3.92Å
102D97.9Very high97.1Very high77 Ų7750.6 Ų50.641%0.41227%0.266SS..Iπ-helixtrans-77.5-34-174.5-76.8-10.3000113.4L98 E99 P107 K122L98-D102 WeakPolarHBondContact O-CB 3.22Å; L98-D102 PolarHBondContact O-N 3.36Å; E99-D102 PolarHBondContact O-N 3Å; D102-P107 WeakPolarHBondContact O-CG 3.46Å; D102-K122 VanDerWaalsContact CG-NZ 3.35Å; D102-K122 VanDerWaalsContact OD1-CE 3.31Å; D102-K122 WeakPolarHBondContact OD1-CE 3.32Å; D102-K122 IonicContact OD1-NZ 3.61Å; D102-K122 PolarHBondContact OD1-NZ 3.08Å; D102-K122 IonicContact OD2-NZ 2.69Å; D102-K122 PolarHBondContact OD2-NZ 3.03Å
103K97.6Very high96.9Very high122 Ų12248.5 Ų48.553%0.5325%0.253SS..Iπ-helixtrans-88.9-36.3-177.5-67.8-174.1178.8177.80114E99E99-K103 HydrophobicContact CG-CD 3.76Å; E99-K103 HydrophobicContact CG-CG 4.33Å; E99-K103 VanDerWaalsContact O-CB 3.31Å; E99-K103 WeakPolarHBondContact O-CB 3.47Å; E99-K103 WeakPolarHBondContact O-CG 3.44Å; E99-K103 PolarHBondContact O-N 3.04Å; E99-K103 WeakPolarHBondContact OE1-CE 3.43Å; E99-K103 IonicContact OE1-NZ 3.28Å; E99-K103 PolarHBondContact OE1-NZ 3.23Å
104Y97.7Very high96.8Very high66 Ų6647.4 Ų47.426%0.25925%0.247SC..Iπ-helixtrans-123.7-38-167-56.8-81.5000114.2T30 E31 L100 N108T30-Y104 HydrophobicContact CG2-CG 4.42Å; E31-Y104 HydrophobicContact CG-CE2 3.97Å; L100-Y104 HydrophobicContact CD2-CD2 4Å; L100-Y104 HydrophobicContact CD2-CE2 4.23Å; L100-Y104 PolarHBondContact O-N 3.43Å; Y104-N108 VanDerWaalsContact O-CB 3.3Å; Y104-N108 WeakPolarHBondContact O-CB 3.45Å; Y104-N108 PolarHBondContact O-ND2 3.4Å
105L97.8Very high96.8Very high6 Ų650.9 Ų50.93%0.03126%0.262CS..Iπ-helixtrans-91.4-56.6-167.8-59.7168.6000112.9T30 L36 L44 L100 L101 N108 A109 Y118T30-L105 HydrophobicContact CG2-CD1 4.14Å; T30-L105 HydrophobicContact CG2-CD2 3.58Å; T30-L105 HydrophobicContact CG2-CG 3.74Å; L36-L105 HydrophobicContact CD1-CD2 3.57Å; L36-L105 HydrophobicContact CG-CD2 3.81Å; L44-L105 HydrophobicContact CD2-CD1 3.6Å; L100-L105 HydrophobicContact CB-CD1 4.38Å; L100-L105 PolarHBondContact O-N 3.45Å; L100-L105 VanDerWaalsContact O-N 3.08Å; L101-L105 HydrophobicContact CD2-CB 4.32Å; L101-L105 HydrophobicContact CD2-CD1 3.81Å; L101-L105 HydrophobicContact CG-CD1 4.32Å; L101-L105 PolarHBondContact O-N 2.98Å; L105-N108 PolarHBondContact O-N 3.47Å; L105-A109 WeakPolarHBondContact O-CB 3.32Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-A109 VanDerWaalsContact O-N 3.08Å; L105-Y118 HydrophobicContact CB-CD1 3.91Å; L105-Y118 HydrophobicContact CB-CD2 3.97Å; L105-Y118 HydrophobicContact CB-CE1 3.95Å; L105-Y118 HydrophobicContact CB-CE2 4.02Å; L105-Y118 HydrophobicContact CB-CG 3.95Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 4.01Å; L105-Y118 HydrophobicContact CD2-CE1 3.99Å; L105-Y118 HydrophobicContact CG-CD1 4.46Å; L105-Y118 HydrophobicContact CG-CE1 4.21Å
106I97.4Very high96.8Very high29 Ų2947 Ų4715%0.14924%0.242CC..THydrogen-bonded Turntrans-63-44.1-178.2-63.6168.8000111.5L101 N108 A109 L119 K122L101-I106 HydrophobicContact CB-CD1 4.07Å; L101-I106 HydrophobicContact CB-CG1 4.45Å; L101-I106 WeakPolarHBondContact O-CB 3.36Å; L101-I106 WeakPolarHBondContact O-CG1 3.26Å; L101-I106 PolarHBondContact O-N 3.08Å; I106-N108 VanDerWaalsContact C-N 3.28Å; I106-N108 PolarHBondContact O-N 3.06Å; I106-A109 PolarHBondContact O-N 2.94Å; I106-L119 HydrophobicContact CD1-CD2 4.09Å; I106-K122 HydrophobicContact CD1-CB 4.47Å; I106-K122 HydrophobicContact CD1-CD 3.77Å
107P96.4Very high96.8Very high84 Ų8446.7 Ų46.755%0.54524%0.239SC..THydrogen-bonded Turntrans-64.6-29.7178.9-23.335000114.3D102D102-P107 WeakPolarHBondContact O-CG 3.46Å
108N93.8Very high96.8Very high63 Ų6346.7 Ų46.734%0.33724%0.238SC..THydrogen-bonded Turntrans-95.4-2.1-177.9-67.9-35.3000113.5G33 Y104 L105 I106 T110G33-N108 PolarHBondContact O-ND2 3.14Å; Y104-N108 VanDerWaalsContact O-CB 3.3Å; Y104-N108 WeakPolarHBondContact O-CB 3.45Å; Y104-N108 PolarHBondContact O-ND2 3.4Å; L105-N108 PolarHBondContact O-N 3.47Å; I106-N108 VanDerWaalsContact C-N 3.28Å; I106-N108 PolarHBondContact O-N 3.06Å; N108-T110 PolarHBondContact O-N 3.32Å
109A95.1Very high96.8Very high18 Ų1846.4 Ų46.415%0.14924%0.237CC..  trans-72.2112.4-179.600000111L105 I106 S114 K115 Y118L105-A109 WeakPolarHBondContact O-CB 3.32Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-A109 VanDerWaalsContact O-N 3.08Å; I106-A109 PolarHBondContact O-N 2.94Å; A109-S114 WeakPolarHBondContact CB-OG 3.38Å; A109-K115 HydrophobicContact CB-CB 4.14Å; A109-Y118 HydrophobicContact CB-CD2 3.9Å; A109-Y118 HydrophobicContact CB-CE2 4.02Å
110T93.5Very high96.8Very high93 Ų9343.9 Ų43.957%0.57122%0.224SC*.  trans-93.3-29.1-177.762.10000113.2E35 N108E35-T110 PolarHBondContact OE1-N 3.28Å; E35-T110 PolarHBondContact OE1-OG1 3Å; E35-T110 VanDerWaalsContact OE1-OG1 3.06Å; E35-T110 PolarHBondContact OE2-OG1 3.28Å; N108-T110 PolarHBondContact O-N 3.32Å
111Q94.9Very high96.8Very high109 Ų10944 Ų4451%0.50923%0.225SC..SBendtrans-97.3141.5-177.7-58.1-54.6-51.400111.9E113 S114 K115Q111-E113 VanDerWaalsContact C-N 3.25Å; Q111-E113 PolarHBondContact O-N 3.25Å; Q111-S114 PolarHBondContact N-OG 3.33Å; Q111-S114 PolarHBondContact O-N 3.25Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; Q111-S114 PolarHBondContact O-OG 3.43Å; Q111-K115 PolarHBondContact O-N 3.49Å
112P95.4Very high96.8Very high39 Ų3946 Ų4625%0.25323%0.234SC..Hα-helixtrans-51.8-42.2176.4-26.935.2000113.4S114 K115 V116 I155 E159P112-S114 VanDerWaalsContact C-N 3.34Å; P112-S114 PolarHBondContact O-N 2.92Å; P112-K115 PolarHBondContact O-N 3.34Å; P112-V116 VanDerWaalsContact O-CG2 3.3Å; P112-V116 WeakPolarHBondContact O-CG2 3.24Å; P112-V116 PolarHBondContact O-N 3.24Å; P112-I155 HydrophobicContact CB-CG2 4.34Å; P112-E159 HydrophobicContact CB-CB 3.65Å; P112-E159 HydrophobicContact CB-CG 3.99Å; P112-E159 HydrophobicContact CG-CB 4.03Å; P112-E159 HydrophobicContact CG-CG 4.13Å
113E94.3Very high96.8Very high68 Ų6842.4 Ų42.432%0.31821%0.214SC..Hα-helixtrans-61.1-43.1-179.8-61.787165.800111.8Q111 F117 M160 I166Q111-E113 VanDerWaalsContact C-N 3.25Å; Q111-E113 PolarHBondContact O-N 3.25Å; E113-F117 VanDerWaalsContact O-CB 3.29Å; E113-F117 WeakPolarHBondContact O-CB 3.43Å; E113-F117 PolarHBondContact O-N 3.19Å; E113-M160 HydrophobicContact CB-CE 4.37Å; E113-M160 HydrophobicContact CG-CE 3.89Å; E113-I166 HydrophobicContact CB-CD1 4.24Å
114S95.8Very high96.9Very high1 Ų137 Ų371%0.00719%0.192CC..Hα-helixtrans-66.3-42.1177.669.60000111.6R41 A109 Q111 P112 F117 Y118R41-S114 VanDerWaalsContact NH2-CB 3.26Å; A109-S114 WeakPolarHBondContact CB-OG 3.38Å; Q111-S114 PolarHBondContact N-OG 3.33Å; Q111-S114 PolarHBondContact O-N 3.25Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; Q111-S114 PolarHBondContact O-OG 3.43Å; P112-S114 VanDerWaalsContact C-N 3.34Å; P112-S114 PolarHBondContact O-N 2.92Å; S114-F117 WeakPolarHBondContact O-CB 3.31Å; S114-F117 PolarHBondContact O-N 3.22Å; S114-Y118 WeakPolarHBondContact O-CD2 3.24Å; S114-Y118 PolarHBondContact O-N 3.03Å
115K97.4Very high96.9Very high73 Ų7334.2 Ų34.232%0.31718%0.181SC..Hα-helixtrans-65.7-45.4179.2-171.3170179-178.90111.5A109 Q111 P112 F117 Y118 L119 E151 I155A109-K115 HydrophobicContact CB-CB 4.14Å; Q111-K115 PolarHBondContact O-N 3.49Å; P112-K115 PolarHBondContact O-N 3.34Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.01Å; K115-Y118 PolarHBondContact O-N 3.24Å; K115-L119 HydrophobicContact CG-CD1 3.93Å; K115-L119 HydrophobicContact CG-CG 4.49Å; K115-L119 WeakPolarHBondContact O-CB 3.5Å; K115-L119 WeakPolarHBondContact O-CG 3.31Å; K115-L119 PolarHBondContact O-N 2.82Å; K115-E151 IonicContact NZ-OE1 2.63Å; K115-I155 HydrophobicContact CD-CD1 3.95Å; K115-I155 HydrophobicContact CG-CD1 4.16Å
116V98.3Very high96.9Very high0 Ų035.1 Ų35.10%018%0.184CC..Hα-helixtrans-61.5-42.1174.9174.40000110.8P112 Y118 L119 K120 A152 I155 M160 I166 L170P112-V116 VanDerWaalsContact O-CG2 3.3Å; P112-V116 WeakPolarHBondContact O-CG2 3.24Å; P112-V116 PolarHBondContact O-N 3.24Å; V116-Y118 PolarHBondContact O-N 2.97Å; V116-L119 PolarHBondContact O-N 2.69Å; V116-K120 WeakPolarHBondContact O-CB 3.26Å; V116-K120 PolarHBondContact O-N 3.43Å; V116-A152 HydrophobicContact CG1-CB 4.38Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.49Å; V116-I155 VanDerWaalsContact CG2-CG2 3.49Å; V116-M160 HydrophobicContact CB-SD 4.05Å; V116-M160 HydrophobicContact CG1-SD 4.06Å; V116-M160 HydrophobicContact CG2-SD 3.89Å; V116-I166 HydrophobicContact CB-CG2 4.28Å; V116-I166 HydrophobicContact CG1-CG2 3.69Å; V116-L170 HydrophobicContact CG1-CD2 4.02Å
117F97.4Very high96.9Very high28 Ų2834.3 Ų34.312%0.12318%0.179CC..Hα-helixtrans-58.4-49.2176.6-174.2-79.1000112R41 E113 S114 K115 K120 M121 I166R41-F117 HydrophobicContact CG-CD1 3.59Å; R41-F117 HydrophobicContact CG-CE1 3.34Å; R41-F117 HydrophobicContact CG-CE2 4.35Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.74Å; E113-F117 VanDerWaalsContact O-CB 3.29Å; E113-F117 WeakPolarHBondContact O-CB 3.43Å; E113-F117 PolarHBondContact O-N 3.19Å; S114-F117 WeakPolarHBondContact O-CB 3.31Å; S114-F117 PolarHBondContact O-N 3.22Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.01Å; F117-K120 PolarHBondContact O-N 2.87Å; F117-M121 HydrophobicContact CE1-SD 4.34Å; F117-M121 WeakPolarHBondContact O-CB 3.44Å; F117-M121 PolarHBondContact O-N 3.35Å; F117-I166 HydrophobicContact CB-CD1 4.44Å; F117-I166 HydrophobicContact CD2-CD1 4.18Å; F117-I166 HydrophobicContact CD2-CG1 4.37Å
118Y98.5Very high96.9Very high2 Ų231.4 Ų31.41%0.00816%0.158CC..Hα-helixtrans-70.2-38.8-178.7-62.3-45.7000112.7R41 L101 L105 A109 S114 K115 V116 M121 K122R41-Y118 HydrophobicContact CG-CE1 3.74Å; R41-Y118 PolarHBondContact NE-OH 2.95Å; L101-Y118 HydrophobicContact CD2-CD1 3.91Å; L101-Y118 HydrophobicContact CD2-CG 4.15Å; L105-Y118 HydrophobicContact CB-CD1 3.91Å; L105-Y118 HydrophobicContact CB-CD2 3.97Å; L105-Y118 HydrophobicContact CB-CE1 3.95Å; L105-Y118 HydrophobicContact CB-CE2 4.02Å; L105-Y118 HydrophobicContact CB-CG 3.95Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 4.01Å; L105-Y118 HydrophobicContact CD2-CE1 3.99Å; L105-Y118 HydrophobicContact CG-CD1 4.46Å; L105-Y118 HydrophobicContact CG-CE1 4.21Å; A109-Y118 HydrophobicContact CB-CD2 3.9Å; A109-Y118 HydrophobicContact CB-CE2 4.02Å; S114-Y118 WeakPolarHBondContact O-CD2 3.24Å; S114-Y118 PolarHBondContact O-N 3.03Å; K115-Y118 PolarHBondContact O-N 3.24Å; V116-Y118 PolarHBondContact O-N 2.97Å; Y118-M121 WeakPolarHBondContact O-CB 3.46Å; Y118-M121 PolarHBondContact O-N 3.37Å; Y118-K122 WeakPolarHBondContact O-CB 3.3Å; Y118-K122 PolarHBondContact O-N 3.03Å
119L98.6Very high97Very high3 Ų329 Ų292%0.01615%0.145CC..Hα-helixtrans-66.4-40175.2-72.8168.4000111.9I106 K115 V116 M121 K122 G123 E151 A152 I155I106-L119 HydrophobicContact CD1-CD2 4.09Å; K115-L119 HydrophobicContact CG-CD1 3.93Å; K115-L119 HydrophobicContact CG-CG 4.49Å; K115-L119 WeakPolarHBondContact O-CB 3.5Å; K115-L119 WeakPolarHBondContact O-CG 3.31Å; K115-L119 PolarHBondContact O-N 2.82Å; V116-L119 PolarHBondContact O-N 2.69Å; L119-M121 VanDerWaalsContact C-N 3.33Å; L119-M121 PolarHBondContact O-N 2.63Å; L119-K122 WeakPolarHBondContact O-CB 3.31Å; L119-K122 PolarHBondContact O-N 3.06Å; L119-G123 PolarHBondContact O-N 3.33Å; L119-E151 HydrophobicContact CD1-CB 4.19Å; L119-E151 HydrophobicContact CD1-CG 3.77Å; L119-A152 HydrophobicContact CB-CB 3.68Å; L119-I155 HydrophobicContact CD1-CD1 3.71Å
120K98.3Very high96.9Very high36 Ų3628.2 Ų28.216%0.15714%0.138CC..Hα-helixtrans-58.1-47.5170.9179-169173.5-67.60110.7V116 F117 K122 G123 D124 Y149 G169 L170 N173V116-K120 WeakPolarHBondContact O-CB 3.26Å; V116-K120 PolarHBondContact O-N 3.43Å; F117-K120 PolarHBondContact O-N 2.87Å; K120-K122 VanDerWaalsContact C-N 3.33Å; K120-K122 PolarHBondContact O-N 2.95Å; K120-G123 PolarHBondContact O-N 3.17Å; K120-D124 IonicContact NZ-OD2 3.98Å; K120-D124 PolarHBondContact NZ-OD2 2.96Å; K120-D124 PolarHBondContact O-N 3.33Å; K120-Y149 HydrophobicContact CG-CE1 4.41Å; K120-G169 WeakPolarHBondContact CE-O 3.4Å; K120-L170 HydrophobicContact CB-CD1 4.05Å; K120-L170 HydrophobicContact CD-CB 4.1Å; K120-L170 HydrophobicContact CG-CB 4.35Å; K120-L170 HydrophobicContact CG-CD1 3.97Å; K120-N173 PolarHBondContact NZ-ND2 3.35Å
121M98.2Very high96.8Very high8 Ų825.4 Ų25.44%0.03912%0.118CC..Hα-helixtrans-59.7-44.7176.9-165.6173.4-17700110.5V97 L101 F117 Y118 L119 G123 D124 Y125V97-M121 HydrophobicContact CG1-CE 3.78Å; V97-M121 HydrophobicContact CG1-CG 4.43Å; V97-M121 HydrophobicContact CG1-SD 4.47Å; L101-M121 HydrophobicContact CD1-CB 4.29Å; L101-M121 HydrophobicContact CD1-CG 4.22Å; L101-M121 HydrophobicContact CD2-CB 4.31Å; L101-M121 HydrophobicContact CD2-SD 4.3Å; F117-M121 HydrophobicContact CE1-SD 4.34Å; F117-M121 WeakPolarHBondContact O-CB 3.44Å; F117-M121 PolarHBondContact O-N 3.35Å; Y118-M121 WeakPolarHBondContact O-CB 3.46Å; Y118-M121 PolarHBondContact O-N 3.37Å; L119-M121 VanDerWaalsContact C-N 3.33Å; L119-M121 PolarHBondContact O-N 2.63Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.45Å; M121-D124 WeakPolarHBondContact O-CB 3.32Å; M121-D124 PolarHBondContact O-N 3.28Å; M121-Y125 HydrophobicContact CE-CE2 3.65Å; M121-Y125 HydrophobicContact CG-CD2 3.81Å; M121-Y125 HydrophobicContact CG-CE2 3.59Å; M121-Y125 VanDerWaalsContact O-CD2 3.24Å; M121-Y125 WeakPolarHBondContact O-CD2 3.47Å; M121-Y125 PolarHBondContact O-N 3.33Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å
122K98.6Very high96.6Very high42 Ų4220.6 Ų20.618%0.18310%0.096CC..Hα-helixtrans-55.7-45.7174.7-171.5170.6179.8170.50112.1L98 L101 D102 I106 Y118 L119 K120 Y125 F126 A148L98-K122 HydrophobicContact CD2-CG 3.85Å; L101-K122 HydrophobicContact CD1-CB 3.92Å; D102-K122 VanDerWaalsContact CG-NZ 3.35Å; D102-K122 VanDerWaalsContact OD1-CE 3.31Å; D102-K122 WeakPolarHBondContact OD1-CE 3.32Å; D102-K122 IonicContact OD1-NZ 3.61Å; D102-K122 PolarHBondContact OD1-NZ 3.08Å; D102-K122 IonicContact OD2-NZ 2.69Å; D102-K122 PolarHBondContact OD2-NZ 3.03Å; I106-K122 HydrophobicContact CD1-CB 4.47Å; I106-K122 HydrophobicContact CD1-CD 3.77Å; Y118-K122 WeakPolarHBondContact O-CB 3.3Å; Y118-K122 PolarHBondContact O-N 3.03Å; L119-K122 WeakPolarHBondContact O-CB 3.31Å; L119-K122 PolarHBondContact O-N 3.06Å; K120-K122 VanDerWaalsContact C-N 3.33Å; K120-K122 PolarHBondContact O-N 2.95Å; K122-Y125 PolarHBondContact O-N 3.49Å; K122-F126 HydrophobicContact CD-CE2 4.32Å; K122-F126 HydrophobicContact CG-CD2 3.9Å; K122-F126 HydrophobicContact CG-CE2 3.74Å; K122-F126 VanDerWaalsContact O-CD2 3.28Å; K122-F126 WeakPolarHBondContact O-CD2 3.28Å; K122-F126 PolarHBondContact O-N 3.3Å; K122-F126 VanDerWaalsContact O-N 3.08Å; K122-A148 HydrophobicContact CB-CB 4.07Å; K122-A148 HydrophobicContact CD-CB 4.34Å; K122-A148 HydrophobicContact CG-CB 4.01Å
123G98.4Very high96.3Very high0 Ų019.4 Ų19.40%09%0.09CC..Hα-helixtrans-59-46.417300000112.5L119 K120 M121 Y125 F126 R127 S145 Y149L119-G123 PolarHBondContact O-N 3.33Å; K120-G123 PolarHBondContact O-N 3.17Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.45Å; G123-Y125 PolarHBondContact O-N 3Å; G123-F126 PolarHBondContact O-N 3.05Å; G123-R127 VanDerWaalsContact O-CB 3.31Å; G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.06Å; G123-S145 PolarHBondContact O-OG 3.46Å; G123-Y149 VanDerWaalsContact C-CZ 3.46Å
124D98.1Very high95.8Very high10 Ų1021 Ų215%0.05311%0.108CC..Hα-helixtrans-57.9-46177.8-74.4-38.8000112.6K120 M121 R127 Y128 Y149 N173K120-D124 IonicContact NZ-OD2 3.98Å; K120-D124 PolarHBondContact NZ-OD2 2.96Å; K120-D124 PolarHBondContact O-N 3.33Å; M121-D124 WeakPolarHBondContact O-CB 3.32Å; M121-D124 PolarHBondContact O-N 3.28Å; D124-R127 WeakPolarHBondContact O-CB 3.46Å; D124-R127 PolarHBondContact O-N 3.13Å; D124-R127 IonicContact OD1-CZ 3.92Å; D124-R127 IonicContact OD1-NE 2.86Å; D124-R127 IonicContact OD1-NH2 3.6Å; D124-R127 PolarHBondContact OD1-NH2 3.49Å; D124-Y128 HydrophobicContact CB-CE2 4.18Å; D124-Y128 VanDerWaalsContact O-CD1 3.31Å; D124-Y128 WeakPolarHBondContact O-CD1 3.36Å; D124-Y128 VanDerWaalsContact O-CD2 3.24Å; D124-Y128 WeakPolarHBondContact O-CD2 3.39Å; D124-Y128 PolarHBondContact O-N 3.34Å; D124-Y149 WeakPolarHBondContact CA-OH 3.48Å; D124-Y149 PolarHBondContact N-OH 2.94Å; D124-Y149 PolarHBondContact OD1-OH 3.47Å; D124-N173 WeakPolarHBondContact OD1-CB 3.41Å; D124-N173 PolarHBondContact OD1-ND2 3.44Å; D124-N173 PolarHBondContact OD2-ND2 3.46Å
125Y98.1Very high95.2Very high7 Ų723.9 Ų23.93%0.02714%0.138CC..Hα-helixtrans-73.6-35.1-178.9-77.1-85.7000113.3Y48 V52 C94 V97 M121 K122 G123 R127 Y128 L129Y48-Y125 VanDerWaalsContact C-OH 3.25Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.47Å; Y48-Y125 PolarHBondContact O-OH 3.31Å; V52-Y125 HydrophobicContact CB-CE1 4.22Å; V52-Y125 HydrophobicContact CG1-CE1 4.11Å; V52-Y125 HydrophobicContact CG2-CE1 4.35Å; C94-Y125 HydrophobicContact CB-CD1 4.07Å; V97-Y125 HydrophobicContact CB-CD1 3.99Å; V97-Y125 HydrophobicContact CB-CD2 4.16Å; V97-Y125 HydrophobicContact CB-CE1 4.04Å; V97-Y125 HydrophobicContact CB-CE2 4.28Å; V97-Y125 HydrophobicContact CB-CG 4.06Å; V97-Y125 HydrophobicContact CG1-CD1 4.22Å; V97-Y125 HydrophobicContact CG1-CD2 3.48Å; V97-Y125 VanDerWaalsContact CG1-CD2 3.48Å; V97-Y125 HydrophobicContact CG1-CE1 4.26Å; V97-Y125 HydrophobicContact CG1-CE2 3.59Å; V97-Y125 HydrophobicContact CG1-CG 3.86Å; V97-Y125 HydrophobicContact CG2-CD1 4.16Å; V97-Y125 HydrophobicContact CG2-CE1 3.71Å; V97-Y125 HydrophobicContact CG2-CE2 4.31Å; M121-Y125 HydrophobicContact CE-CE2 3.65Å; M121-Y125 HydrophobicContact CG-CD2 3.81Å; M121-Y125 HydrophobicContact CG-CE2 3.59Å; M121-Y125 VanDerWaalsContact O-CD2 3.24Å; M121-Y125 WeakPolarHBondContact O-CD2 3.47Å; M121-Y125 PolarHBondContact O-N 3.33Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å; K122-Y125 PolarHBondContact O-N 3.49Å; G123-Y125 PolarHBondContact O-N 3Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; Y125-Y128 AromaticContact CD1-CD2 3.93Å; Y125-Y128 HydrophobicContact CD1-CD2 3.93Å; Y125-Y128 HydrophobicContact CD1-CE2 4.34Å; Y125-Y128 HydrophobicContact CE1-CD2 4.2Å; Y125-Y128 HydrophobicContact CE1-CE2 4.31Å; Y125-Y128 HydrophobicContact CG-CD2 4.26Å; Y125-Y128 PolarHBondContact O-N 2.96Å; Y125-L129 WeakPolarHBondContact O-CG 3.43Å; Y125-L129 PolarHBondContact O-N 3.31Å
126F98.3Very high94.4Very high24 Ų2427.1 Ų27.111%0.10516%0.159CC..Hα-helixtrans-65.9-36.6169.8-82.3-58.4000112.4L98 K122 G123 L129 S130 N144L98-F126 HydrophobicContact CD1-CD1 3.87Å; L98-F126 HydrophobicContact CD1-CE1 3.6Å; L98-F126 HydrophobicContact CD1-CE2 4.31Å; L98-F126 HydrophobicContact CD1-CG 4.32Å; L98-F126 HydrophobicContact CD1-CZ 3.83Å; L98-F126 HydrophobicContact CD2-CD2 3.77Å; L98-F126 HydrophobicContact CD2-CE1 4.39Å; L98-F126 HydrophobicContact CD2-CE2 3.59Å; L98-F126 HydrophobicContact CD2-CG 4.24Å; L98-F126 HydrophobicContact CD2-CZ 3.92Å; L98-F126 HydrophobicContact CG-CZ 4.45Å; K122-F126 HydrophobicContact CD-CE2 4.32Å; K122-F126 HydrophobicContact CG-CD2 3.9Å; K122-F126 HydrophobicContact CG-CE2 3.74Å; K122-F126 VanDerWaalsContact O-CD2 3.28Å; K122-F126 WeakPolarHBondContact O-CD2 3.28Å; K122-F126 PolarHBondContact O-N 3.3Å; K122-F126 VanDerWaalsContact O-N 3.08Å; G123-F126 PolarHBondContact O-N 3.05Å; F126-L129 HydrophobicContact CD1-CD1 4.16Å; F126-L129 WeakPolarHBondContact O-CB 3.2Å; F126-L129 PolarHBondContact O-N 3.48Å; F126-S130 PolarHBondContact O-N 3.25Å; F126-N144 HydrophobicContact CB-CB 4.48Å; F126-N144 HydrophobicContact CD1-CB 3.75Å; F126-N144 HydrophobicContact CD2-CB 3.7Å; F126-N144 HydrophobicContact CE1-CB 3.79Å; F126-N144 HydrophobicContact CE2-CB 3.72Å; F126-N144 HydrophobicContact CG-CB 3.73Å; F126-N144 HydrophobicContact CZ-CB 3.78Å
127R97.1Very high93.9Very high12 Ų1232.7 Ų32.75%0.04519%0.189CC..Hα-helixtrans-60.5-46.6172.6173.917062.187.1-3.8111.2G123 D124 Y125 L129 S130 E131 Y149 F177 I181G123-R127 VanDerWaalsContact O-CB 3.31Å; G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.06Å; D124-R127 WeakPolarHBondContact O-CB 3.46Å; D124-R127 PolarHBondContact O-N 3.13Å; D124-R127 IonicContact OD1-CZ 3.92Å; D124-R127 IonicContact OD1-NE 2.86Å; D124-R127 IonicContact OD1-NH2 3.6Å; D124-R127 PolarHBondContact OD1-NH2 3.49Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; R127-L129 VanDerWaalsContact C-N 3.31Å; R127-L129 PolarHBondContact O-N 2.95Å; R127-S130 PolarHBondContact O-N 2.82Å; R127-S130 PolarHBondContact O-OG 3.48Å; R127-E131 IonicContact NH1-OE1 2.91Å; R127-E131 PolarHBondContact O-N 3Å; R127-E131 VanDerWaalsContact O-N 3.17Å; R127-Y149 PolarHBondContact NE-OH 3.02Å; R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.21Å; R127-I181 HydrophobicContact CG-CD1 4.24Å; R127-I181 HydrophobicContact CG-CG1 3.94Å
128Y96.1Very high93.6Very high23 Ų2336 Ų369%0.0920%0.204CC..Hα-helixtrans-60.8-39.4176.3-54.5-28.9000112.5V52 D124 Y125 S130 E131V52-Y128 HydrophobicContact CG1-CD2 4.08Å; V52-Y128 HydrophobicContact CG1-CE2 3.87Å; V52-Y128 HydrophobicContact CG2-CD2 3.95Å; D124-Y128 HydrophobicContact CB-CE2 4.18Å; D124-Y128 VanDerWaalsContact O-CD1 3.31Å; D124-Y128 WeakPolarHBondContact O-CD1 3.36Å; D124-Y128 VanDerWaalsContact O-CD2 3.24Å; D124-Y128 WeakPolarHBondContact O-CD2 3.39Å; D124-Y128 PolarHBondContact O-N 3.34Å; Y125-Y128 AromaticContact CD1-CD2 3.93Å; Y125-Y128 HydrophobicContact CD1-CD2 3.93Å; Y125-Y128 HydrophobicContact CD1-CE2 4.34Å; Y125-Y128 HydrophobicContact CE1-CD2 4.2Å; Y125-Y128 HydrophobicContact CE1-CE2 4.31Å; Y125-Y128 HydrophobicContact CG-CD2 4.26Å; Y125-Y128 PolarHBondContact O-N 2.96Å; Y128-S130 VanDerWaalsContact C-N 3.32Å; Y128-S130 PolarHBondContact O-N 3.07Å; Y128-E131 WeakPolarHBondContact O-CB 3.48Å; Y128-E131 PolarHBondContact O-N 3.36Å
129L95.8Very high93.3Very high14 Ų1442.5 Ų42.57%0.07323%0.234CC..Hα-helixtrans-61.5-40.5172.3-74.2174.6000112Q91 C94 L98 Y125 F126 R127 E131 V132 A133 T141Q91-L129 HydrophobicContact CB-CD2 4.19Å; Q91-L129 HydrophobicContact CG-CD2 3.85Å; C94-L129 HydrophobicContact CB-CD1 4.03Å; C94-L129 HydrophobicContact CB-CD2 3.63Å; C94-L129 HydrophobicContact CB-CG 3.58Å; L98-L129 HydrophobicContact CD1-CD1 3.61Å; Y125-L129 WeakPolarHBondContact O-CG 3.43Å; Y125-L129 PolarHBondContact O-N 3.31Å; F126-L129 HydrophobicContact CD1-CD1 4.16Å; F126-L129 WeakPolarHBondContact O-CB 3.2Å; F126-L129 PolarHBondContact O-N 3.48Å; R127-L129 VanDerWaalsContact C-N 3.31Å; R127-L129 PolarHBondContact O-N 2.95Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 3.31Å; L129-V132 WeakPolarHBondContact O-CG2 3.02Å; L129-V132 PolarHBondContact O-N 3.48Å; L129-A133 VanDerWaalsContact O-CB 3.26Å; L129-A133 WeakPolarHBondContact O-CB 3.43Å; L129-A133 PolarHBondContact O-N 2.93Å; L129-T141 HydrophobicContact CB-CG2 3.81Å; L129-T141 HydrophobicContact CD1-CG2 4.43Å
130S94.4Very high93.1Very high0 Ų046.1 Ų46.10%026%0.256CS..Hα-helixtrans-67.2-23.6-179.875.40000114F126 R127 Y128 V132 T141F126-S130 PolarHBondContact O-N 3.25Å; R127-S130 PolarHBondContact O-N 2.82Å; R127-S130 PolarHBondContact O-OG 3.48Å; Y128-S130 VanDerWaalsContact C-N 3.32Å; Y128-S130 PolarHBondContact O-N 3.07Å; S130-V132 VanDerWaalsContact C-N 3.3Å; S130-V132 PolarHBondContact O-N 3.36Å; S130-T141 WeakPolarHBondContact CA-OG1 3.27Å; S130-T141 WeakPolarHBondContact CB-OG1 3.33Å
131E90.7Very high93Very high34 Ų3445.2 Ų45.216%0.15925%0.254CS..Hα-helixtrans-65.5-33.7175.4-69.2171.4-16300111.8R56 W59 R127 Y128 L129 I181R56-E131 IonicContact CZ-OE1 3.83Å; R56-E131 IonicContact CZ-OE2 2.63Å; R56-E131 VanDerWaalsContact CZ-OE2 3.31Å; R56-E131 IonicContact NE-OE1 2.84Å; R56-E131 IonicContact NE-OE2 3.81Å; R56-E131 PolarHBondContact NE-OE2 2.91Å; R56-E131 IonicContact NH2-OE1 3.89Å; R56-E131 PolarHBondContact NH2-OE1 3.26Å; R56-E131 IonicContact NH2-OE2 2.79Å; R56-E131 PolarHBondContact NH2-OE2 3.22Å; W59-E131 VanDerWaalsContact CH2-O 3.29Å; W59-E131 WeakPolarHBondContact CH2-O 3.34Å; R127-E131 IonicContact NH1-OE1 2.91Å; R127-E131 PolarHBondContact O-N 3Å; R127-E131 VanDerWaalsContact O-N 3.17Å; Y128-E131 WeakPolarHBondContact O-CB 3.48Å; Y128-E131 PolarHBondContact O-N 3.36Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 3.31Å; E131-I181 HydrophobicContact CG-CD1 4.16Å
132V91.1Very high92.9Very high8 Ų845.5 Ų45.55%0.04826%0.256CS..Hα-helixtrans-106.6-11.2-176.7-59.70000113.3W59 E87 L90 Q91 L129 S130W59-V132 HydrophobicContact CD2-CG1 3.84Å; W59-V132 HydrophobicContact CE3-CG1 4.35Å; W59-V132 HydrophobicContact CG-CG1 4.21Å; W59-V132 HydrophobicContact CH2-CG1 4.37Å; W59-V132 HydrophobicContact CZ2-CB 4.48Å; W59-V132 HydrophobicContact CZ2-CG1 3.87Å; E87-V132 HydrophobicContact CG-CB 4.04Å; E87-V132 HydrophobicContact CG-CG1 4.16Å; L90-V132 HydrophobicContact CD1-CG1 4.05Å; L90-V132 HydrophobicContact CD2-CG1 4.41Å; L90-V132 HydrophobicContact CD2-CG2 3.96Å; Q91-V132 HydrophobicContact CG-CG2 4.4Å; L129-V132 WeakPolarHBondContact O-CG2 3.02Å; L129-V132 PolarHBondContact O-N 3.48Å; S130-V132 VanDerWaalsContact C-N 3.3Å; S130-V132 PolarHBondContact O-N 3.36Å
133A89.7Confident92.8Very high15 Ų1546.2 Ų46.212%0.12427%0.266CS..  trans-74149-178.400000112.6L129 N137 K138L129-A133 VanDerWaalsContact O-CB 3.26Å; L129-A133 WeakPolarHBondContact O-CB 3.43Å; L129-A133 PolarHBondContact O-N 2.93Å; A133-N137 HydrophobicContact CB-CB 4.45Å; A133-K138 HydrophobicContact CB-CB 4.03Å; A133-K138 HydrophobicContact CB-CG 4.48Å
134S82.1Confident92.8Very high100 Ų10048.8 Ų48.870%0.69928%0.28SS*.  trans-127.7153.9175.8-66.60000111.1
135G83.4Confident92.8Very high62 Ų6248.3 Ų48.364%0.63928%0.277SS*.THydrogen-bonded Turntrans59.6-141.717800000113.7N137 K138G135-N137 PolarHBondContact O-N 3.3Å; G135-K138 WeakPolarHBondContact O-CB 3.44Å; G135-K138 PolarHBondContact O-N 2.89Å
136D81.6Confident92.8Very high141 Ų14151.1 Ų51.175%0.75429%0.291SS*.Hα-helixtrans-62-28.2-175.2-62.6-21.9000113.7K138 Q139 T140D136-K138 PolarHBondContact O-N 2.96Å; D136-Q139 PolarHBondContact O-N 3.49Å; D136-T140 PolarHBondContact O-N 2.93Å; D136-T140 PolarHBondContact O-OG1 2.95Å
137N86.8Confident92.8Very high117 Ų11756 Ų5663%0.62631%0.314SS*.Hα-helixtrans-64.6-31.4175.4-71.3-13.3000111.6A133 G135 T141A133-N137 HydrophobicContact CB-CB 4.45Å; G135-N137 PolarHBondContact O-N 3.3Å; N137-T141 WeakPolarHBondContact O-CG2 3.09Å; N137-T141 PolarHBondContact O-N 3.2Å; N137-T141 PolarHBondContact O-OG1 2.56Å
138K91.5Very high92.8Very high99 Ų9955.6 Ų55.643%0.4331%0.313SS..Hα-helixtrans-67-47.4176.8-169.7172.6-175.5171.80110.9A133 G135 D136 T140 T141 V142A133-K138 HydrophobicContact CB-CB 4.03Å; A133-K138 HydrophobicContact CB-CG 4.48Å; G135-K138 WeakPolarHBondContact O-CB 3.44Å; G135-K138 PolarHBondContact O-N 2.89Å; D136-K138 PolarHBondContact O-N 2.96Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.33Å; K138-T141 WeakPolarHBondContact CA-OG1 3.48Å; K138-T141 PolarHBondContact O-N 2.88Å; K138-T141 PolarHBondContact O-OG1 3.01Å; K138-V142 HydrophobicContact CG-CG2 4.28Å; K138-V142 WeakPolarHBondContact O-CB 3.29Å; K138-V142 WeakPolarHBondContact O-CG2 3.4Å; K138-V142 PolarHBondContact O-N 2.91Å
139Q92.4Very high93Very high138 Ų13854.5 Ų54.565%0.64531%0.309SS*.Hα-helixtrans-59.7-41.1179.2-171.760.938.600111.8D136 S143D136-Q139 PolarHBondContact O-N 3.49Å; Q139-S143 WeakPolarHBondContact O-CB 3.46Å; Q139-S143 PolarHBondContact O-N 3.05Å
140T94.8Very high93.1Very high79 Ų7957 Ų5749%0.48532%0.32SS..Hα-helixtrans-65.2-47.9179-56.40000111.8D136 K138 V142 S143 N144D136-T140 PolarHBondContact O-N 2.93Å; D136-T140 PolarHBondContact O-OG1 2.95Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.33Å; T140-V142 PolarHBondContact O-N 2.65Å; T140-S143 PolarHBondContact O-N 2.79Å; T140-N144 WeakPolarHBondContact O-CB 3.33Å; T140-N144 VanDerWaalsContact O-CG 3.26Å; T140-N144 PolarHBondContact O-N 3.33Å; T140-N144 PolarHBondContact O-ND2 3.33Å
141T94.9Very high93.3Very high17 Ų1760.8 Ų60.810%0.10434%0.338CS..Hα-helixtrans-64.8-39.6179.449.20000112.2L129 S130 N137 K138 N144 S145L129-T141 HydrophobicContact CB-CG2 3.81Å; L129-T141 HydrophobicContact CD1-CG2 4.43Å; S130-T141 WeakPolarHBondContact CA-OG1 3.27Å; S130-T141 WeakPolarHBondContact CB-OG1 3.33Å; N137-T141 WeakPolarHBondContact O-CG2 3.09Å; N137-T141 PolarHBondContact O-N 3.2Å; N137-T141 PolarHBondContact O-OG1 2.56Å; K138-T141 WeakPolarHBondContact CA-OG1 3.48Å; K138-T141 PolarHBondContact O-N 2.88Å; K138-T141 PolarHBondContact O-OG1 3.01Å; T141-N144 PolarHBondContact O-N 2.94Å; T141-S145 WeakPolarHBondContact O-CB 3.31Å; T141-S145 PolarHBondContact O-N 3.23Å
142V96.5Very high93.7Very high13 Ų1359.2 Ų59.28%0.07933%0.33CS..Hα-helixtrans-61.5-47.8173.8172.30000111.4K138 T140 N144 S145 Q146 F177 I181 L182K138-V142 HydrophobicContact CG-CG2 4.28Å; K138-V142 WeakPolarHBondContact O-CB 3.29Å; K138-V142 WeakPolarHBondContact O-CG2 3.4Å; K138-V142 PolarHBondContact O-N 2.91Å; T140-V142 PolarHBondContact O-N 2.65Å; V142-N144 PolarHBondContact O-N 3.33Å; V142-S145 PolarHBondContact O-N 3.06Å; V142-Q146 WeakPolarHBondContact O-CB 3.49Å; V142-Q146 PolarHBondContact O-N 2.74Å; V142-F177 HydrophobicContact CG1-CE2 4.46Å; V142-F177 HydrophobicContact CG1-CZ 4.01Å; V142-F177 WeakPolarHBondContact O-CZ 3.09Å; V142-I181 HydrophobicContact CB-CG2 4.44Å; V142-I181 HydrophobicContact CG1-CG2 4.17Å; V142-I181 HydrophobicContact CG2-CG2 3.57Å; V142-L182 HydrophobicContact CG1-CD2 3.45Å; V142-L182 VanDerWaalsContact CG1-CD2 3.45Å
143S97Very high94Very high58 Ų5860.8 Ų60.841%0.40634%0.337SS..Hα-helixtrans-60-45.7178.3-174.90000111.7Q139 T140 Q146 Q147Q139-S143 WeakPolarHBondContact O-CB 3.46Å; Q139-S143 PolarHBondContact O-N 3.05Å; T140-S143 PolarHBondContact O-N 2.79Å; S143-Q146 PolarHBondContact O-N 3.42Å; S143-Q147 WeakPolarHBondContact O-CB 3.5Å; S143-Q147 PolarHBondContact O-N 3.41Å
144N97.8Very high94.4Very high53 Ų5365 Ų6528%0.28335%0.354SS..Hα-helixtrans-65.7-40.2179.8-70.3-16.3000112.1F126 T140 T141 V142 Q147 A148F126-N144 HydrophobicContact CB-CB 4.48Å; F126-N144 HydrophobicContact CD1-CB 3.75Å; F126-N144 HydrophobicContact CD2-CB 3.7Å; F126-N144 HydrophobicContact CE1-CB 3.79Å; F126-N144 HydrophobicContact CE2-CB 3.72Å; F126-N144 HydrophobicContact CG-CB 3.73Å; F126-N144 HydrophobicContact CZ-CB 3.78Å; T140-N144 WeakPolarHBondContact O-CB 3.33Å; T140-N144 VanDerWaalsContact O-CG 3.26Å; T140-N144 PolarHBondContact O-N 3.33Å; T140-N144 PolarHBondContact O-ND2 3.33Å; T141-N144 PolarHBondContact O-N 2.94Å; V142-N144 PolarHBondContact O-N 3.33Å; N144-Q147 PolarHBondContact O-N 2.95Å; N144-A148 WeakPolarHBondContact O-CB 3.46Å; N144-A148 PolarHBondContact O-N 3.44Å
145S98.2Very high95.1Very high0 Ų061.8 Ų61.80%033%0.328CS..Hα-helixtrans-58.8-49.8173.4175.80000111.1G123 T141 V142 Q147 A148 Y149 F177G123-S145 PolarHBondContact O-OG 3.46Å; T141-S145 WeakPolarHBondContact O-CB 3.31Å; T141-S145 PolarHBondContact O-N 3.23Å; V142-S145 PolarHBondContact O-N 3.06Å; S145-Q147 PolarHBondContact O-N 3.11Å; S145-A148 PolarHBondContact O-N 2.87Å; S145-Y149 VanDerWaalsContact O-CD2 3.25Å; S145-Y149 WeakPolarHBondContact O-CD2 3.34Å; S145-Y149 PolarHBondContact O-N 2.87Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.46Å; S145-F177 VanDerWaalsContact OG-CD2 3.27Å; S145-F177 WeakPolarHBondContact OG-CD2 3.31Å; S145-F177 WeakPolarHBondContact OG-CE2 3.19Å
146Q98.1Very high95.8Very high67 Ų6758.8 Ų58.831%0.31330%0.298SS..Hα-helixtrans-61-44.6-179.9-172.3175.614.900112V142 S143 Y149 Q150 F177V142-Q146 WeakPolarHBondContact O-CB 3.49Å; V142-Q146 PolarHBondContact O-N 2.74Å; S143-Q146 PolarHBondContact O-N 3.42Å; Q146-Y149 PolarHBondContact O-N 3.02Å; Q146-Q150 WeakPolarHBondContact O-CB 3.3Å; Q146-Q150 PolarHBondContact O-N 2.68Å; Q146-F177 HydrophobicContact CB-CE1 3.73Å; Q146-F177 HydrophobicContact CB-CZ 3.86Å; Q146-F177 HydrophobicContact CG-CE1 4.1Å
147Q98.4Very high96.5Very high125 Ų12557.8 Ų57.858%0.58429%0.287SS*.Hα-helixtrans-60.7-46.8178.6-177-179.9-2.900111.4S143 N144 S145 Q150 E151S143-Q147 WeakPolarHBondContact O-CB 3.5Å; S143-Q147 PolarHBondContact O-N 3.41Å; N144-Q147 PolarHBondContact O-N 2.95Å; S145-Q147 PolarHBondContact O-N 3.11Å; Q147-Q150 PolarHBondContact O-N 2.96Å; Q147-E151 PolarHBondContact O-N 3.23Å
148A98.6Very high97Very high4 Ų460 Ų603%0.03329%0.291CS..Hα-helixtrans-63.6-44.2-179.800000112.1K122 N144 S145 A152K122-A148 HydrophobicContact CB-CB 4.07Å; K122-A148 HydrophobicContact CD-CB 4.34Å; K122-A148 HydrophobicContact CG-CB 4.01Å; N144-A148 WeakPolarHBondContact O-CB 3.46Å; N144-A148 PolarHBondContact O-N 3.44Å; S145-A148 PolarHBondContact O-N 2.87Å; A148-A152 WeakPolarHBondContact O-CB 3.19Å; A148-A152 PolarHBondContact O-N 3.47Å
149Y98.6Very high97.3Very high0 Ų059.6 Ų59.60%029%0.291CS..Hα-helixtrans-64.7-41.1175.1-75.2-51.7000112.6K120 G123 D124 R127 S145 Q146 A152 F153 L170 N173 F174 F177K120-Y149 HydrophobicContact CG-CE1 4.41Å; G123-Y149 VanDerWaalsContact C-CZ 3.46Å; D124-Y149 WeakPolarHBondContact CA-OH 3.48Å; D124-Y149 PolarHBondContact N-OH 2.94Å; D124-Y149 PolarHBondContact OD1-OH 3.47Å; R127-Y149 PolarHBondContact NE-OH 3.02Å; S145-Y149 VanDerWaalsContact O-CD2 3.25Å; S145-Y149 WeakPolarHBondContact O-CD2 3.34Å; S145-Y149 PolarHBondContact O-N 2.87Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.46Å; Q146-Y149 PolarHBondContact O-N 3.02Å; Y149-A152 PolarHBondContact O-N 2.91Å; Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.4Å; Y149-F153 PolarHBondContact O-N 2.85Å; Y149-L170 HydrophobicContact CD1-CD1 3.63Å; Y149-L170 HydrophobicContact CE1-CD1 4.33Å; Y149-N173 HydrophobicContact CE1-CB 4.11Å; Y149-F174 HydrophobicContact CD1-CB 4.32Å; Y149-F174 AromaticContact CD2-CD2 3.84Å; Y149-F174 HydrophobicContact CD2-CD2 3.84Å; Y149-F174 HydrophobicContact CD2-CE2 4.25Å; Y149-F174 HydrophobicContact CD2-CG 4.47Å; Y149-F174 HydrophobicContact CG-CB 4.25Å; Y149-F174 AromaticContact CG-CD2 3.82Å; Y149-F174 HydrophobicContact CG-CD2 3.82Å; Y149-F174 HydrophobicContact CG-CE2 4.26Å; Y149-F174 HydrophobicContact CG-CG 4.05Å; Y149-F177 HydrophobicContact CD2-CB 4.23Å; Y149-F177 HydrophobicContact CD2-CD1 4.26Å; Y149-F177 HydrophobicContact CD2-CG 4.08Å; Y149-F177 HydrophobicContact CE2-CB 3.83Å; Y149-F177 HydrophobicContact CE2-CD2 4.15Å; Y149-F177 AromaticContact CE2-CG 3.93Å; Y149-F177 HydrophobicContact CE2-CG 3.93Å
150Q98.4Very high97.4Very high67 Ų6753.5 Ų53.531%0.31326%0.262SS..Hα-helixtrans-64.8-44.7179.2-168.46649.900111.2Q146 Q147 A152 F153 E154 F174Q146-Q150 WeakPolarHBondContact O-CB 3.3Å; Q146-Q150 PolarHBondContact O-N 2.68Å; Q147-Q150 PolarHBondContact O-N 2.96Å; Q150-A152 PolarHBondContact O-N 3.39Å; Q150-F153 PolarHBondContact O-N 3.45Å; Q150-F153 VanDerWaalsContact O-N 3.14Å; Q150-E154 PolarHBondContact NE2-OE1 3.25Å; Q150-E154 WeakPolarHBondContact O-CG 3.25Å; Q150-E154 PolarHBondContact O-N 2.98Å; Q150-F174 HydrophobicContact CB-CZ 4.46Å
151E98.4Very high97.4Very high80 Ų8055.5 Ų55.537%0.37427%0.266SS..Hα-helixtrans-60.7-45.4176-169.7-175.8163.600111.3K115 L119 Q147 F153 I155K115-E151 IonicContact NZ-OE1 2.63Å; L119-E151 HydrophobicContact CD1-CB 4.19Å; L119-E151 HydrophobicContact CD1-CG 3.77Å; Q147-E151 PolarHBondContact O-N 3.23Å; E151-F153 VanDerWaalsContact C-N 3.26Å; E151-F153 PolarHBondContact O-N 2.9Å; E151-I155 HydrophobicContact CG-CD1 4.19Å; E151-I155 WeakPolarHBondContact O-CG1 3.32Å; E151-I155 PolarHBondContact O-N 3.48Å
152A98.5Very high97.5Very high0 Ų055.3 Ų55.30%027%0.265CS..Hα-helixtrans-58.5-40.9174.500000111.6V116 L119 A148 Y149 Q150 S156 L170V116-A152 HydrophobicContact CG1-CB 4.38Å; L119-A152 HydrophobicContact CB-CB 3.68Å; A148-A152 WeakPolarHBondContact O-CB 3.19Å; A148-A152 PolarHBondContact O-N 3.47Å; Y149-A152 PolarHBondContact O-N 2.91Å; Q150-A152 PolarHBondContact O-N 3.39Å; A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.41Å; A152-S156 PolarHBondContact O-N 3Å; A152-S156 PolarHBondContact O-OG 3.33Å; A152-L170 VanDerWaalsContact C-CD2 3.45Å; A152-L170 HydrophobicContact CB-CD1 3.84Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.41Å
153F98Very high97.5Very high41 Ų4154.9 Ų54.918%0.1826%0.263CS..Hα-helixtrans-67.3-46.7-175.7-172.8-102.9000111.3Y149 Q150 E151 I155 S156 K157 L170 F174 L191Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.4Å; Y149-F153 PolarHBondContact O-N 2.85Å; Q150-F153 PolarHBondContact O-N 3.45Å; Q150-F153 VanDerWaalsContact O-N 3.14Å; E151-F153 VanDerWaalsContact C-N 3.26Å; E151-F153 PolarHBondContact O-N 2.9Å; F153-I155 PolarHBondContact O-N 3.39Å; F153-S156 PolarHBondContact O-N 3.14Å; F153-S156 PolarHBondContact O-OG 3.49Å; F153-K157 WeakPolarHBondContact O-CB 3.36Å; F153-K157 PolarHBondContact O-N 3.33Å; F153-L170 HydrophobicContact CB-CD2 4.23Å; F153-L170 HydrophobicContact CD2-CD2 4.49Å; F153-F174 HydrophobicContact CB-CD1 4.39Å; F153-F174 HydrophobicContact CB-CE1 4.28Å; F153-L191 HydrophobicContact CE2-CD1 3.69Å; F153-L191 HydrophobicContact CZ-CD1 3.79Å
154E98.1Very high97.4Very high103 Ų10354.7 Ų54.748%0.48126%0.255SS..Hα-helixtrans-60.5-43.9177.2-65.7-49.4134.500112.3Q150 K157 K158Q150-E154 PolarHBondContact NE2-OE1 3.25Å; Q150-E154 WeakPolarHBondContact O-CG 3.25Å; Q150-E154 PolarHBondContact O-N 2.98Å; E154-K157 PolarHBondContact O-N 3.38Å; E154-K158 PolarHBondContact O-N 2.86Å
155I98.1Very high97.2Very high33 Ų3353.5 Ų53.517%0.16925%0.251CS..Hα-helixtrans-64.2-46.9176.7-62166.5000109.9P112 K115 V116 L119 E151 F153 K157 K158 E159P112-I155 HydrophobicContact CB-CG2 4.34Å; K115-I155 HydrophobicContact CD-CD1 3.95Å; K115-I155 HydrophobicContact CG-CD1 4.16Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.49Å; V116-I155 VanDerWaalsContact CG2-CG2 3.49Å; L119-I155 HydrophobicContact CD1-CD1 3.71Å; E151-I155 HydrophobicContact CG-CD1 4.19Å; E151-I155 WeakPolarHBondContact O-CG1 3.32Å; E151-I155 PolarHBondContact O-N 3.48Å; F153-I155 PolarHBondContact O-N 3.39Å; I155-K157 VanDerWaalsContact C-N 3.3Å; I155-K157 PolarHBondContact O-N 3.16Å; I155-K158 PolarHBondContact O-N 3.3Å; I155-E159 HydrophobicContact CG2-CG 4.22Å; I155-E159 WeakPolarHBondContact O-CB 3.46Å; I155-E159 PolarHBondContact O-N 3.44Å
156S97.9Very high97.1Very high0 Ų055.2 Ų55.20%026%0.259CS..Hα-helixtrans-62.4-36.5-178.576.40000112.8A152 F153 K158 M160A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.41Å; A152-S156 PolarHBondContact O-N 3Å; A152-S156 PolarHBondContact O-OG 3.33Å; F153-S156 PolarHBondContact O-N 3.14Å; F153-S156 PolarHBondContact O-OG 3.49Å; S156-K158 VanDerWaalsContact C-N 3.31Å; S156-K158 PolarHBondContact O-N 3.42Å; S156-M160 WeakPolarHBondContact O-CA 3.28Å; S156-M160 VanDerWaalsContact O-CB 3.3Å; S156-M160 WeakPolarHBondContact O-CB 3.45Å; S156-M160 PolarHBondContact O-N 3.01Å
157K96.1Very high97.1Very high120 Ų12053.1 Ų53.152%0.52225%0.249SC..Hα-helixtrans-68.3-33.3179.2-170.9174.4-178.4176.70111.9F153 E154 I155F153-K157 WeakPolarHBondContact O-CB 3.36Å; F153-K157 PolarHBondContact O-N 3.33Å; E154-K157 PolarHBondContact O-N 3.38Å; I155-K157 VanDerWaalsContact C-N 3.3Å; I155-K157 PolarHBondContact O-N 3.16Å
158K97Very high97.1Very high163 Ų16347.3 Ų47.371%0.70922%0.221SC*.Hα-helixtrans-83.5-39-178.8-174.7174.2174.6-99.90113.1E154 I155 S156E154-K158 PolarHBondContact O-N 2.86Å; I155-K158 PolarHBondContact O-N 3.3Å; S156-K158 VanDerWaalsContact C-N 3.31Å; S156-K158 PolarHBondContact O-N 3.42Å
159E97.1Very high97Very high91 Ų9147.6 Ų47.643%0.42523%0.225SC..Hα-helixtrans-112.2-7.6-165.8-53.5-64.9158.900113.9P112 I155P112-E159 HydrophobicContact CB-CB 3.65Å; P112-E159 HydrophobicContact CB-CG 3.99Å; P112-E159 HydrophobicContact CG-CB 4.03Å; P112-E159 HydrophobicContact CG-CG 4.13Å; I155-E159 HydrophobicContact CG2-CG 4.22Å; I155-E159 WeakPolarHBondContact O-CB 3.46Å; I155-E159 PolarHBondContact O-N 3.44Å
160M95.5Very high97Very high9 Ų947.6 Ų47.64%0.04423%0.225CC..SBendtrans-130.3142.9-172.5-49.4178.170.600112.1E113 V116 S156 H164 I166 R167E113-M160 HydrophobicContact CB-CE 4.37Å; E113-M160 HydrophobicContact CG-CE 3.89Å; V116-M160 HydrophobicContact CB-SD 4.05Å; V116-M160 HydrophobicContact CG1-SD 4.06Å; V116-M160 HydrophobicContact CG2-SD 3.89Å; S156-M160 WeakPolarHBondContact O-CA 3.28Å; S156-M160 VanDerWaalsContact O-CB 3.3Å; S156-M160 WeakPolarHBondContact O-CB 3.45Å; S156-M160 PolarHBondContact O-N 3.01Å; M160-H164 HydrophobicContact CB-CB 4.34Å; M160-H164 HydrophobicContact CE-CB 4.16Å; M160-H164 WeakPolarHBondContact CE-CE1 3.21Å; M160-H164 WeakPolarHBondContact CE-ND1 3.19Å; M160-I166 HydrophobicContact CE-CB 3.79Å; M160-I166 HydrophobicContact CE-CG2 4.09Å; M160-R167 HydrophobicContact CB-CB 4.44Å; M160-R167 PolarHBondContact O-NH1 3.24Å
161Q95.1Very high97Very high121 Ų12144.6 Ų44.657%0.56521%0.211SC*.  trans-64.9146.5174.9-62.5-59.1-45.400111.1T163 H164 R167 E202Q161-T163 PolarHBondContact O-N 3.14Å; Q161-T163 VanDerWaalsContact O-N 3.14Å; Q161-H164 WeakPolarHBondContact O-CB 3.42Å; Q161-H164 PolarHBondContact O-N 3.15Å; Q161-R167 WeakPolarHBondContact O-CD 3.47Å; Q161-E202 PolarHBondContact OE1-OE2 3.45Å
162P96.4Very high97Very high14 Ų1441.7 Ų41.79%0.09120%0.198CC..THydrogen-bonded Turntrans-53.2-32.6177.1-26.434.4000114.3H164 L168 E198 E202P162-H164 VanDerWaalsContact C-N 3.3Å; P162-H164 PolarHBondContact O-N 3.43Å; P162-L168 WeakPolarHBondContact O-CG 3.4Å; P162-E198 HydrophobicContact CB-CB 3.87Å; P162-E198 HydrophobicContact CG-CB 4.37Å; P162-E202 WeakPolarHBondContact CD-OE2 3.46Å
163T95.8Very high96.9Very high4 Ų443.1 Ų43.13%0.02521%0.206CC..THydrogen-bonded Turntrans-80.3-5.117952.30000114Q161 A199 E202 L206 S214Q161-T163 PolarHBondContact O-N 3.14Å; Q161-T163 VanDerWaalsContact O-N 3.14Å; T163-A199 HydrophobicContact CG2-CB 4.27Å; T163-A199 WeakPolarHBondContact CG2-O 3.21Å; T163-E202 HydrophobicContact CG2-CB 3.93Å; T163-L206 HydrophobicContact CG2-CD1 4.32Å; T163-L206 HydrophobicContact CG2-CG 4.35Å; T163-L206 WeakPolarHBondContact OG1-CD2 3.36Å; T163-S214 WeakPolarHBondContact O-CB 3.33Å; T163-S214 PolarHBondContact O-OG 3.2Å
164H95Very high96.9Very high53 Ų5341.2 Ų41.225%0.24520%0.198CC..  trans-67.2128.4-176.3-170.8-59.5000111.3M160 Q161 P162 I166 R167 L168M160-H164 HydrophobicContact CB-CB 4.34Å; M160-H164 HydrophobicContact CE-CB 4.16Å; M160-H164 WeakPolarHBondContact CE-CE1 3.21Å; M160-H164 WeakPolarHBondContact CE-ND1 3.19Å; Q161-H164 WeakPolarHBondContact O-CB 3.42Å; Q161-H164 PolarHBondContact O-N 3.15Å; P162-H164 VanDerWaalsContact C-N 3.3Å; P162-H164 PolarHBondContact O-N 3.43Å; H164-I166 PolarHBondContact ND1-N 2.93Å; H164-I166 VanDerWaalsContact ND1-N 3.15Å; H164-I166 PolarHBondContact O-N 3.42Å; H164-R167 HydrophobicContact CB-CB 4.33Å; H164-R167 PolarHBondContact O-N 2.89Å; H164-L168 PolarHBondContact O-N 2.87Å
165P94.9Very high96.9Very high29 Ų2936.3 Ų36.319%0.18818%0.175CC..Hα-helixtrans-53.5-43.4-175.4-29.634.2000115.1R167 L168 G169 D213 I217P165-R167 PolarHBondContact O-N 2.82Å; P165-L168 PolarHBondContact O-N 2.81Å; P165-G169 PolarHBondContact O-N 3.09Å; P165-D213 HydrophobicContact CB-CB 4.25Å; P165-D213 HydrophobicContact CG-CB 3.9Å; P165-I217 HydrophobicContact CB-CD1 4.01Å; P165-I217 WeakPolarHBondContact O-CD1 3.39Å
166I95.6Very high96.9Very high35 Ų3535.7 Ų35.718%0.17917%0.172CC..Hα-helixtrans-60.7-42.3175.7-62.4173.8000112.4E113 V116 F117 M160 H164 G169 L170E113-I166 HydrophobicContact CB-CD1 4.24Å; V116-I166 HydrophobicContact CB-CG2 4.28Å; V116-I166 HydrophobicContact CG1-CG2 3.69Å; F117-I166 HydrophobicContact CB-CD1 4.44Å; F117-I166 HydrophobicContact CD2-CD1 4.18Å; F117-I166 HydrophobicContact CD2-CG1 4.37Å; M160-I166 HydrophobicContact CE-CB 3.79Å; M160-I166 HydrophobicContact CE-CG2 4.09Å; H164-I166 PolarHBondContact ND1-N 2.93Å; H164-I166 VanDerWaalsContact ND1-N 3.15Å; H164-I166 PolarHBondContact O-N 3.42Å; I166-G169 PolarHBondContact O-N 2.83Å; I166-L170 WeakPolarHBondContact O-CB 3.5Å; I166-L170 PolarHBondContact O-N 3.14Å
167R97.5Very high96.9Very high24 Ų2435.7 Ų35.79%0.09117%0.172CC..Hα-helixtrans-67.4-44178.5178.1174.2167.9175.7-7.6110.9M160 Q161 H164 P165 L170 A171 E198M160-R167 HydrophobicContact CB-CB 4.44Å; M160-R167 PolarHBondContact O-NH1 3.24Å; Q161-R167 WeakPolarHBondContact O-CD 3.47Å; H164-R167 HydrophobicContact CB-CB 4.33Å; H164-R167 PolarHBondContact O-N 2.89Å; P165-R167 PolarHBondContact O-N 2.82Å; R167-L170 WeakPolarHBondContact O-CB 3.42Å; R167-L170 PolarHBondContact O-N 3.44Å; R167-A171 PolarHBondContact O-N 3.21Å; R167-E198 IonicContact CZ-OE2 3.89Å; R167-E198 IonicContact NH2-OE2 2.63Å; R167-E198 PolarHBondContact NH2-OE2 2.98Å
168L97.8Very high96.9Very high2 Ų230.2 Ų30.21%0.0115%0.149CC..Hα-helixtrans-60.9-46.7174.1-74.8172.3000111.9P162 H164 P165 L170 A171 L172 A199 I217 M218 L221P162-L168 WeakPolarHBondContact O-CG 3.4Å; H164-L168 PolarHBondContact O-N 2.87Å; P165-L168 PolarHBondContact O-N 2.81Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.39Å; L168-A171 PolarHBondContact O-N 3.5Å; L168-L172 PolarHBondContact O-N 2.95Å; L168-A199 HydrophobicContact CD2-CB 3.8Å; L168-I217 HydrophobicContact CB-CB 4.19Å; L168-I217 HydrophobicContact CB-CD1 4.42Å; L168-I217 HydrophobicContact CB-CG2 3.68Å; L168-M218 HydrophobicContact CD1-CG 4.01Å; L168-M218 HydrophobicContact CD1-SD 4.47Å; L168-M218 HydrophobicContact CD2-CG 4.22Å; L168-L221 HydrophobicContact CD2-CD1 4.12Å
169G97.4Very high96.9Very high11 Ų1124.4 Ų24.411%0.11312%0.122CC..Hα-helixtrans-65.1-32.5178.700000112.7K120 P165 I166 N173K120-G169 WeakPolarHBondContact CE-O 3.4Å; P165-G169 PolarHBondContact O-N 3.09Å; I166-G169 PolarHBondContact O-N 2.83Å; G169-N173 PolarHBondContact O-N 3.35Å; G169-N173 VanDerWaalsContact O-N 3.09Å
170L98.3Very high96.7Very high0 Ų025.4 Ų25.40%013%0.127CC..Hα-helixtrans-64.8-49.2170.5170.862.9000111.3V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174V116-L170 HydrophobicContact CG1-CD2 4.02Å; K120-L170 HydrophobicContact CB-CD1 4.05Å; K120-L170 HydrophobicContact CD-CB 4.1Å; K120-L170 HydrophobicContact CG-CB 4.35Å; K120-L170 HydrophobicContact CG-CD1 3.97Å; Y149-L170 HydrophobicContact CD1-CD1 3.63Å; Y149-L170 HydrophobicContact CE1-CD1 4.33Å; A152-L170 VanDerWaalsContact C-CD2 3.45Å; A152-L170 HydrophobicContact CB-CD1 3.84Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.41Å; F153-L170 HydrophobicContact CB-CD2 4.23Å; F153-L170 HydrophobicContact CD2-CD2 4.49Å; I166-L170 WeakPolarHBondContact O-CB 3.5Å; I166-L170 PolarHBondContact O-N 3.14Å; R167-L170 WeakPolarHBondContact O-CB 3.42Å; R167-L170 PolarHBondContact O-N 3.44Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.39Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 3.39Å; L170-N173 PolarHBondContact O-N 3.22Å; L170-F174 VanDerWaalsContact O-CB 3.28Å; L170-F174 WeakPolarHBondContact O-CB 3.35Å; L170-F174 PolarHBondContact O-N 3.46Å
171A98.2Very high96.7Very high3 Ų326.6 Ų26.63%0.02513%0.133CC..Hα-helixtrans-61-38.4178.200000112.2R167 L168 S175 A195R167-A171 PolarHBondContact O-N 3.21Å; L168-A171 PolarHBondContact O-N 3.5Å; A171-S175 WeakPolarHBondContact O-CB 3.41Å; A171-S175 PolarHBondContact O-N 3.36Å; A171-S175 PolarHBondContact O-OG 3.26Å; A171-A195 HydrophobicContact CB-CB 3.52Å
172L98.1Very high96.6Very high19 Ų1923 Ų2310%0.09912%0.118CC..Hα-helixtrans-59-53.6173178.365.4000111.2L168 L170 F174 S175 V176 I217 L220 L221 N224L168-L172 PolarHBondContact O-N 2.95Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 3.39Å; L172-F174 PolarHBondContact O-N 3.31Å; L172-S175 PolarHBondContact O-N 3.02Å; L172-S175 PolarHBondContact O-OG 3.45Å; L172-V176 WeakPolarHBondContact O-CG2 3.41Å; L172-V176 PolarHBondContact O-N 3.38Å; L172-V176 VanDerWaalsContact O-N 3.14Å; L172-I217 HydrophobicContact CB-CG2 4.38Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; L172-L220 HydrophobicContact CD1-CB 4.12Å; L172-L220 HydrophobicContact CD2-CB 3.84Å; L172-L220 HydrophobicContact CD2-CD1 3.89Å; L172-L221 HydrophobicContact CB-CD2 3.93Å; L172-L221 HydrophobicContact CB-CG 4.27Å; L172-L221 HydrophobicContact CD1-CD2 3.84Å; L172-L221 HydrophobicContact CD1-CG 4.09Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.45Å
173N97.4Very high96.5Very high30 Ų3029.1 Ų29.116%0.1615%0.149CC..Hα-helixtrans-71-33.2-176.4-73.613.5000112.6K120 D124 Y149 G169 L170 V176 F177K120-N173 PolarHBondContact NZ-ND2 3.35Å; D124-N173 WeakPolarHBondContact OD1-CB 3.41Å; D124-N173 PolarHBondContact OD1-ND2 3.44Å; D124-N173 PolarHBondContact OD2-ND2 3.46Å; Y149-N173 HydrophobicContact CE1-CB 4.11Å; G169-N173 PolarHBondContact O-N 3.35Å; G169-N173 VanDerWaalsContact O-N 3.09Å; L170-N173 PolarHBondContact O-N 3.22Å; N173-V176 PolarHBondContact O-N 3.13Å; N173-F177 PolarHBondContact O-N 2.98Å
174F98.4Very high96.5Very high2 Ų231 Ų311%0.00916%0.163CC..Hα-helixtrans-73.3-34178.3-165-169.2000111.9Y149 Q150 F153 L170 L172 F177 Y178 L191Y149-F174 HydrophobicContact CD1-CB 4.32Å; Y149-F174 AromaticContact CD2-CD2 3.84Å; Y149-F174 HydrophobicContact CD2-CD2 3.84Å; Y149-F174 HydrophobicContact CD2-CE2 4.25Å; Y149-F174 HydrophobicContact CD2-CG 4.47Å; Y149-F174 HydrophobicContact CG-CB 4.25Å; Y149-F174 AromaticContact CG-CD2 3.82Å; Y149-F174 HydrophobicContact CG-CD2 3.82Å; Y149-F174 HydrophobicContact CG-CE2 4.26Å; Y149-F174 HydrophobicContact CG-CG 4.05Å; Q150-F174 HydrophobicContact CB-CZ 4.46Å; F153-F174 HydrophobicContact CB-CD1 4.39Å; F153-F174 HydrophobicContact CB-CE1 4.28Å; L170-F174 VanDerWaalsContact O-CB 3.28Å; L170-F174 WeakPolarHBondContact O-CB 3.35Å; L170-F174 PolarHBondContact O-N 3.46Å; L172-F174 PolarHBondContact O-N 3.31Å; F174-F177 HydrophobicContact CD2-CB 4.37Å; F174-F177 AromaticContact CD2-CD1 3.9Å; F174-F177 HydrophobicContact CD2-CD1 3.9Å; F174-F177 AromaticContact CE2-CD1 3.87Å; F174-F177 HydrophobicContact CE2-CD1 3.87Å; F174-F177 HydrophobicContact CE2-CE1 4.34Å; F174-F177 WeakPolarHBondContact O-CB 3.27Å; F174-F177 PolarHBondContact O-N 3.18Å; F174-Y178 HydrophobicContact CD1-CE2 4.11Å; F174-Y178 AromaticContact CD2-CD2 3.91Å; F174-Y178 HydrophobicContact CD2-CD2 3.91Å; F174-Y178 AromaticContact CD2-CE2 3.53Å; F174-Y178 HydrophobicContact CD2-CE2 3.53Å; F174-Y178 AromaticContact CE1-CE2 3.92Å; F174-Y178 HydrophobicContact CE1-CE2 3.92Å; F174-Y178 HydrophobicContact CE2-CD2 4.07Å; F174-Y178 HydrophobicContact CE2-CE1 4.34Å; F174-Y178 AromaticContact CE2-CE2 3.31Å; F174-Y178 HydrophobicContact CE2-CE2 3.31Å; F174-Y178 AromaticContact CE2-CZ 3.47Å; F174-Y178 VanDerWaalsContact CE2-CZ 3.47Å; F174-Y178 HydrophobicContact CG-CD2 4.36Å; F174-Y178 AromaticContact CG-CE2 3.95Å; F174-Y178 HydrophobicContact CG-CE2 3.95Å; F174-Y178 AromaticContact CZ-CE2 3.54Å; F174-Y178 HydrophobicContact CZ-CE2 3.54Å; F174-Y178 AromaticContact CZ-CZ 3.57Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.25Å; F174-Y178 WeakPolarHBondContact O-CD2 3.33Å; F174-Y178 PolarHBondContact O-N 3.12Å; F174-L191 HydrophobicContact CB-CD2 3.87Å; F174-L191 HydrophobicContact CD1-CD2 3.84Å; F174-L191 HydrophobicContact CG-CD2 3.88Å
175S98.1Very high96.6Very high0 Ų030.2 Ų30.20%016%0.162CC..Hα-helixtrans-66-43172.161.30000111.5A171 L172 F177 Y178 Y179 A188A171-S175 WeakPolarHBondContact O-CB 3.41Å; A171-S175 PolarHBondContact O-N 3.36Å; A171-S175 PolarHBondContact O-OG 3.26Å; L172-S175 PolarHBondContact O-N 3.02Å; L172-S175 PolarHBondContact O-OG 3.45Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.25Å; S175-Y178 PolarHBondContact O-N 2.91Å; S175-Y178 VanDerWaalsContact O-N 3.14Å; S175-Y179 PolarHBondContact O-N 2.59Å; S175-A188 WeakPolarHBondContact CB-O 3.43Å; S175-A188 WeakPolarHBondContact O-CB 3.3Å
176V96.9Very high96.6Very high19 Ų1936.7 Ų36.712%0.11519%0.19CC..Hα-helixtrans-58-41.9172.1173.20000111.3L172 N173 Y179 E180 N224 W228L172-V176 WeakPolarHBondContact O-CG2 3.41Å; L172-V176 PolarHBondContact O-N 3.38Å; L172-V176 VanDerWaalsContact O-N 3.14Å; N173-V176 PolarHBondContact O-N 3.13Å; V176-Y179 PolarHBondContact O-N 3.43Å; V176-E180 HydrophobicContact CG1-CG 4.07Å; V176-E180 WeakPolarHBondContact O-CB 3.29Å; V176-E180 PolarHBondContact O-N 3.14Å; V176-N224 WeakPolarHBondContact CG2-ND2 3.14Å; V176-W228 HydrophobicContact CG2-CH2 4.16Å; V176-W228 HydrophobicContact CG2-CZ2 4.08Å
177F97.5Very high96.6Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-60.8-44.1174.7174.5-100.1000112.5R127 V142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.21Å; V142-F177 HydrophobicContact CG1-CE2 4.46Å; V142-F177 HydrophobicContact CG1-CZ 4.01Å; V142-F177 WeakPolarHBondContact O-CZ 3.09Å; S145-F177 VanDerWaalsContact OG-CD2 3.27Å; S145-F177 WeakPolarHBondContact OG-CD2 3.31Å; S145-F177 WeakPolarHBondContact OG-CE2 3.19Å; Q146-F177 HydrophobicContact CB-CE1 3.73Å; Q146-F177 HydrophobicContact CB-CZ 3.86Å; Q146-F177 HydrophobicContact CG-CE1 4.1Å; Y149-F177 HydrophobicContact CD2-CB 4.23Å; Y149-F177 HydrophobicContact CD2-CD1 4.26Å; Y149-F177 HydrophobicContact CD2-CG 4.08Å; Y149-F177 HydrophobicContact CE2-CB 3.83Å; Y149-F177 HydrophobicContact CE2-CD2 4.15Å; Y149-F177 AromaticContact CE2-CG 3.93Å; Y149-F177 HydrophobicContact CE2-CG 3.93Å; N173-F177 PolarHBondContact O-N 2.98Å; F174-F177 HydrophobicContact CD2-CB 4.37Å; F174-F177 AromaticContact CD2-CD1 3.9Å; F174-F177 HydrophobicContact CD2-CD1 3.9Å; F174-F177 AromaticContact CE2-CD1 3.87Å; F174-F177 HydrophobicContact CE2-CD1 3.87Å; F174-F177 HydrophobicContact CE2-CE1 4.34Å; F174-F177 WeakPolarHBondContact O-CB 3.27Å; F174-F177 PolarHBondContact O-N 3.18Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.25Å; F177-Y179 VanDerWaalsContact C-N 3.28Å; F177-Y179 PolarHBondContact O-N 3.4Å; F177-I181 HydrophobicContact CD2-CB 3.71Å; F177-I181 HydrophobicContact CD2-CG1 3.72Å; F177-I181 HydrophobicContact CD2-CG2 4.02Å; F177-I181 HydrophobicContact CE2-CB 3.79Å; F177-I181 HydrophobicContact CE2-CG1 4.16Å; F177-I181 HydrophobicContact CE2-CG2 3.57Å; F177-I181 HydrophobicContact CG-CB 4.44Å; F177-I181 HydrophobicContact CZ-CG2 4.29Å; F177-I181 WeakPolarHBondContact O-CA 3.21Å; F177-I181 VanDerWaalsContact O-CB 3.31Å; F177-I181 WeakPolarHBondContact O-CB 3.48Å; F177-I181 PolarHBondContact O-N 2.7Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.29Å; F177-L182 HydrophobicContact CE1-CD1 3.42Å; F177-L182 VanDerWaalsContact CE1-CD1 3.42Å; F177-L182 HydrophobicContact CE1-CD2 4.38Å; F177-L182 HydrophobicContact CE1-CG 3.67Å; F177-L182 HydrophobicContact CZ-CD1 4.11Å; F177-L182 HydrophobicContact CZ-CD2 4.25Å; F177-L182 HydrophobicContact CZ-CG 3.94Å; F177-L182 PolarHBondContact O-N 3.29Å; F177-L182 VanDerWaalsContact O-N 3.16Å
178Y97.8Very high96.6Very high6 Ų638.8 Ų38.82%0.02420%0.199CC..Hα-helixtrans-61.1-39.1175.2-80.8-60.5000112.4F174 S175 L182 N183 S184 K187 L191F174-Y178 HydrophobicContact CD1-CE2 4.11Å; F174-Y178 AromaticContact CD2-CD2 3.91Å; F174-Y178 HydrophobicContact CD2-CD2 3.91Å; F174-Y178 AromaticContact CD2-CE2 3.53Å; F174-Y178 HydrophobicContact CD2-CE2 3.53Å; F174-Y178 AromaticContact CE1-CE2 3.92Å; F174-Y178 HydrophobicContact CE1-CE2 3.92Å; F174-Y178 HydrophobicContact CE2-CD2 4.07Å; F174-Y178 HydrophobicContact CE2-CE1 4.34Å; F174-Y178 AromaticContact CE2-CE2 3.31Å; F174-Y178 HydrophobicContact CE2-CE2 3.31Å; F174-Y178 AromaticContact CE2-CZ 3.47Å; F174-Y178 VanDerWaalsContact CE2-CZ 3.47Å; F174-Y178 HydrophobicContact CG-CD2 4.36Å; F174-Y178 AromaticContact CG-CE2 3.95Å; F174-Y178 HydrophobicContact CG-CE2 3.95Å; F174-Y178 AromaticContact CZ-CE2 3.54Å; F174-Y178 HydrophobicContact CZ-CE2 3.54Å; F174-Y178 AromaticContact CZ-CZ 3.57Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.25Å; F174-Y178 WeakPolarHBondContact O-CD2 3.33Å; F174-Y178 PolarHBondContact O-N 3.12Å; S175-Y178 PolarHBondContact O-N 2.91Å; S175-Y178 VanDerWaalsContact O-N 3.14Å; Y178-L182 HydrophobicContact CD1-CB 4.42Å; Y178-L182 HydrophobicContact CD1-CD1 3.58Å; Y178-L182 HydrophobicContact CE1-CD1 3.6Å; Y178-L182 CarbonylContact O-C 3.59Å; Y178-N183 PolarHBondContact O-N 3.21Å; Y178-S184 PolarHBondContact O-N 3.01Å; Y178-K187 HydrophobicContact CD1-CB 4.33Å; Y178-K187 HydrophobicContact CD1-CD 3.7Å; Y178-K187 HydrophobicContact CD1-CG 4.01Å; Y178-K187 HydrophobicContact CD2-CG 4.24Å; Y178-K187 HydrophobicContact CE1-CD 3.42Å; Y178-K187 VanDerWaalsContact CE1-CD 3.42Å; Y178-K187 VanDerWaalsContact CE1-CE 3.47Å; Y178-K187 HydrophobicContact CE1-CG 4.11Å; Y178-K187 HydrophobicContact CE2-CD 4.31Å; Y178-K187 HydrophobicContact CE2-CG 4.3Å; Y178-K187 HydrophobicContact CG-CB 4.38Å; Y178-K187 HydrophobicContact CG-CD 4.29Å; Y178-K187 HydrophobicContact CG-CG 4.11Å; Y178-K187 VanDerWaalsContact OH-CE 3.27Å; Y178-K187 WeakPolarHBondContact OH-CE 3.3Å; Y178-K187 PolarHBondContact OH-NZ 3.32Å; Y178-L191 HydrophobicContact CD2-CD2 3.95Å; Y178-L191 HydrophobicContact CE2-CD2 3.97Å
179Y96.3Very high96.5Very high41 Ų4139.7 Ų39.716%0.16121%0.205CC..Hα-helixtrans-72.2-62.2-179.5-161.9-92.9000111.7S175 V176 F177 N183 P185 A188 W228 E231S175-Y179 PolarHBondContact O-N 2.59Å; V176-Y179 PolarHBondContact O-N 3.43Å; F177-Y179 VanDerWaalsContact C-N 3.28Å; F177-Y179 PolarHBondContact O-N 3.4Å; Y179-N183 WeakPolarHBondContact O-CA 3.4Å; Y179-N183 PolarHBondContact O-N 3.06Å; Y179-P185 HydrophobicContact CD2-CB 3.83Å; Y179-P185 HydrophobicContact CE2-CB 3.61Å; Y179-A188 HydrophobicContact CD2-CB 4.07Å; Y179-A188 HydrophobicContact CG-CB 4.45Å; Y179-W228 AromaticContact CD1-CD1 3.82Å; Y179-W228 AromaticContact CD1-CE2 3.96Å; Y179-W228 HydrophobicContact CD1-CG 4.48Å; Y179-W228 AromaticContact CD1-NE1 3.46Å; Y179-W228 HydrophobicContact CD2-CB 4.2Å; Y179-W228 AromaticContact CD2-CD1 3.77Å; Y179-W228 AromaticContact CD2-CD2 3.63Å; Y179-W228 HydrophobicContact CD2-CD2 3.63Å; Y179-W228 AromaticContact CD2-CE2 3.79Å; Y179-W228 HydrophobicContact CD2-CE3 4.2Å; Y179-W228 AromaticContact CD2-CG 3.62Å; Y179-W228 HydrophobicContact CD2-CG 3.62Å; Y179-W228 HydrophobicContact CD2-CZ2 4.46Å; Y179-W228 AromaticContact CD2-NE1 3.86Å; Y179-W228 AromaticContact CE1-CD1 3.42Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.42Å; Y179-W228 HydrophobicContact CE1-CG 4.21Å; Y179-W228 AromaticContact CE1-NE1 3.52Å; Y179-W228 HydrophobicContact CE2-CB 3.57Å; Y179-W228 AromaticContact CE2-CD1 3.4Å; Y179-W228 AromaticContact CE2-CD2 3.89Å; Y179-W228 HydrophobicContact CE2-CD2 3.89Å; Y179-W228 AromaticContact CE2-CG 3.33Å; Y179-W228 HydrophobicContact CE2-CG 3.33Å; Y179-W228 AromaticContact CE2-NE1 3.94Å; Y179-W228 AromaticContact CG-CD1 3.97Å; Y179-W228 HydrophobicContact CG-CD2 4.01Å; Y179-W228 AromaticContact CG-CE2 3.65Å; Y179-W228 HydrophobicContact CG-CG 4.2Å; Y179-W228 HydrophobicContact CG-CZ2 4.05Å; Y179-W228 AromaticContact CG-NE1 3.63Å; Y179-W228 AromaticContact CZ-CD1 3.19Å; Y179-W228 AromaticContact CZ-CG 3.64Å; Y179-W228 AromaticContact CZ-NE1 3.77Å; Y179-E231 PolarHBondContact OH-OE2 3.37Å
180E93.4Very high96.5Very high111 Ų11142.6 Ų42.652%0.51922%0.223SC..Hα-helixtrans-79.7-29-168.2-63.8-176.3172.800113.6V176V176-E180 HydrophobicContact CG1-CG 4.07Å; V176-E180 WeakPolarHBondContact O-CB 3.29Å; V176-E180 PolarHBondContact O-N 3.14Å
181I94.3Very high96.5Very high34 Ų3443.7 Ų43.717%0.17423%0.229CC..THydrogen-bonded Turntrans-107.4-44.7-171.2-52.5-60000112.4R127 E131 V142 F177R127-I181 HydrophobicContact CG-CD1 4.24Å; R127-I181 HydrophobicContact CG-CG1 3.94Å; E131-I181 HydrophobicContact CG-CD1 4.16Å; V142-I181 HydrophobicContact CB-CG2 4.44Å; V142-I181 HydrophobicContact CG1-CG2 4.17Å; V142-I181 HydrophobicContact CG2-CG2 3.57Å; F177-I181 HydrophobicContact CD2-CB 3.71Å; F177-I181 HydrophobicContact CD2-CG1 3.72Å; F177-I181 HydrophobicContact CD2-CG2 4.02Å; F177-I181 HydrophobicContact CE2-CB 3.79Å; F177-I181 HydrophobicContact CE2-CG1 4.16Å; F177-I181 HydrophobicContact CE2-CG2 3.57Å; F177-I181 HydrophobicContact CG-CB 4.44Å; F177-I181 HydrophobicContact CZ-CG2 4.29Å; F177-I181 WeakPolarHBondContact O-CA 3.21Å; F177-I181 VanDerWaalsContact O-CB 3.31Å; F177-I181 WeakPolarHBondContact O-CB 3.48Å; F177-I181 PolarHBondContact O-N 2.7Å
182L94.3Very high96.5Very high47 Ų4743.5 Ų43.525%0.24623%0.228CC..THydrogen-bonded Turntrans-91.9-1.4179.7-67.1-177000113.8V142 F177 Y178 S184V142-L182 HydrophobicContact CG1-CD2 3.45Å; V142-L182 VanDerWaalsContact CG1-CD2 3.45Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.29Å; F177-L182 HydrophobicContact CE1-CD1 3.42Å; F177-L182 VanDerWaalsContact CE1-CD1 3.42Å; F177-L182 HydrophobicContact CE1-CD2 4.38Å; F177-L182 HydrophobicContact CE1-CG 3.67Å; F177-L182 HydrophobicContact CZ-CD1 4.11Å; F177-L182 HydrophobicContact CZ-CD2 4.25Å; F177-L182 HydrophobicContact CZ-CG 3.94Å; F177-L182 PolarHBondContact O-N 3.29Å; F177-L182 VanDerWaalsContact O-N 3.16Å; Y178-L182 HydrophobicContact CD1-CB 4.42Å; Y178-L182 HydrophobicContact CD1-CD1 3.58Å; Y178-L182 HydrophobicContact CE1-CD1 3.6Å; Y178-L182 CarbonylContact O-C 3.59Å; L182-S184 PolarHBondContact O-N 3.17Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 3.4Å
183N94.1Very high96.4Very high141 Ų14148.3 Ų48.375%0.75425%0.248SC*.  trans48.142.9-178.5-163.849000112.2Y178 Y179 P185Y178-N183 PolarHBondContact O-N 3.21Å; Y179-N183 WeakPolarHBondContact O-CA 3.4Å; Y179-N183 PolarHBondContact O-N 3.06Å; N183-P185 VanDerWaalsContact O-CD 3.29Å; N183-P185 WeakPolarHBondContact O-CD 3.33Å
184S96.1Very high96.4Very high45 Ų4550 Ų5032%0.31526%0.26SS..  trans-119.767.3-174.8-64.60000110.1Y178 L182 E186 K187 A188Y178-S184 PolarHBondContact O-N 3.01Å; L182-S184 PolarHBondContact O-N 3.17Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 3.4Å; S184-E186 VanDerWaalsContact C-N 3.33Å; S184-E186 PolarHBondContact O-N 3.36Å; S184-K187 PolarHBondContact O-N 2.84Å; S184-K187 VanDerWaalsContact O-N 3.13Å; S184-A188 PolarHBondContact O-N 3.25Å
185P95.6Very high96.4Very high35 Ų3550.5 Ų50.523%0.22726%0.264CS..Hα-helixtrans-61.8-37.7-170.624.7-35.1000113Y179 N183 K187 A188 C189Y179-P185 HydrophobicContact CD2-CB 3.83Å; Y179-P185 HydrophobicContact CE2-CB 3.61Å; N183-P185 VanDerWaalsContact O-CD 3.29Å; N183-P185 WeakPolarHBondContact O-CD 3.33Å; P185-K187 VanDerWaalsContact C-N 3.31Å; P185-K187 PolarHBondContact O-N 2.66Å; P185-A188 WeakPolarHBondContact O-CB 3.43Å; P185-A188 PolarHBondContact O-N 2.91Å; P185-C189 WeakPolarHBondContact O-CB 3.34Å; P185-C189 PolarHBondContact O-N 2.99Å; P185-C189 PolarHBondContact O-SG 3.22Å; P185-C189 VanDerWaalsContact O-SG 3.41Å
186E94.9Very high96.3Very high165 Ų16552.7 Ų52.777%0.77127%0.273SS*.Hα-helixtrans-58.3-44.1176-64.3-179.5179.500112S184 S190S184-E186 VanDerWaalsContact C-N 3.33Å; S184-E186 PolarHBondContact O-N 3.36Å; E186-S190 VanDerWaalsContact O-CB 3.31Å; E186-S190 WeakPolarHBondContact O-CB 3.44Å; E186-S190 PolarHBondContact O-N 3.14Å
187K96.4Very high96.3Very high103 Ų10355.6 Ų55.645%0.44829%0.289SS..Hα-helixtrans-70.8-37.5-180-167.2168.7-177.7-1690111.6Y178 S184 P185 L191Y178-K187 HydrophobicContact CD1-CB 4.33Å; Y178-K187 HydrophobicContact CD1-CD 3.7Å; Y178-K187 HydrophobicContact CD1-CG 4.01Å; Y178-K187 HydrophobicContact CD2-CG 4.24Å; Y178-K187 HydrophobicContact CE1-CD 3.42Å; Y178-K187 VanDerWaalsContact CE1-CD 3.42Å; Y178-K187 VanDerWaalsContact CE1-CE 3.47Å; Y178-K187 HydrophobicContact CE1-CG 4.11Å; Y178-K187 HydrophobicContact CE2-CD 4.31Å; Y178-K187 HydrophobicContact CE2-CG 4.3Å; Y178-K187 HydrophobicContact CG-CB 4.38Å; Y178-K187 HydrophobicContact CG-CD 4.29Å; Y178-K187 HydrophobicContact CG-CG 4.11Å; Y178-K187 VanDerWaalsContact OH-CE 3.27Å; Y178-K187 WeakPolarHBondContact OH-CE 3.3Å; Y178-K187 PolarHBondContact OH-NZ 3.32Å; S184-K187 PolarHBondContact O-N 2.84Å; S184-K187 VanDerWaalsContact O-N 3.13Å; P185-K187 VanDerWaalsContact C-N 3.31Å; P185-K187 PolarHBondContact O-N 2.66Å; K187-L191 WeakPolarHBondContact O-CB 3.26Å; K187-L191 PolarHBondContact O-N 3.37Å
188A97.2Very high96.3Very high0 Ų058.9 Ų58.90%030%0.304CS..Hα-helixtrans-60.5-52.2173.500000111.5S175 Y179 S184 P185 L191 A192 W228S175-A188 WeakPolarHBondContact CB-O 3.43Å; S175-A188 WeakPolarHBondContact O-CB 3.3Å; Y179-A188 HydrophobicContact CD2-CB 4.07Å; Y179-A188 HydrophobicContact CG-CB 4.45Å; S184-A188 PolarHBondContact O-N 3.25Å; P185-A188 WeakPolarHBondContact O-CB 3.43Å; P185-A188 PolarHBondContact O-N 2.91Å; A188-L191 PolarHBondContact O-N 3.45Å; A188-A192 WeakPolarHBondContact O-CB 3.48Å; A188-A192 PolarHBondContact O-N 3.39Å; A188-W228 HydrophobicContact CB-CE3 4.33Å; A188-W228 HydrophobicContact CB-CH2 4.45Å; A188-W228 HydrophobicContact CB-CZ3 4.01Å
189C96.8Very high96.2Very high22 Ų2258.6 Ų58.615%0.14930%0.303CS..Hα-helixtrans-62.6-43.5178.6-71.40000111.9P185 L191 A192 K193 L225P185-C189 WeakPolarHBondContact O-CB 3.34Å; P185-C189 PolarHBondContact O-N 2.99Å; P185-C189 PolarHBondContact O-SG 3.22Å; P185-C189 VanDerWaalsContact O-SG 3.41Å; C189-L191 PolarHBondContact O-N 3.48Å; C189-A192 PolarHBondContact O-N 2.92Å; C189-K193 WeakPolarHBondContact O-CB 3.32Å; C189-K193 PolarHBondContact O-N 2.96Å; C189-L225 HydrophobicContact CB-CD2 4.13Å; C189-L225 WeakPolarHBondContact O-CD2 3.42Å
190S97.2Very high96.1Very high71 Ų7160.7 Ų60.750%0.49732%0.316SS..Hα-helixtrans-59.9-46.6176.3-176.50000111.5E186 T194E186-S190 VanDerWaalsContact O-CB 3.31Å; E186-S190 WeakPolarHBondContact O-CB 3.44Å; E186-S190 PolarHBondContact O-N 3.14Å; S190-T194 WeakPolarHBondContact O-CB 3.35Å; S190-T194 PolarHBondContact O-N 3.47Å; S190-T194 PolarHBondContact O-OG1 2.85Å
191L97.8Very high96.2Very high23 Ų2359.4 Ų59.412%0.1232%0.324CS..Hα-helixtrans-64.5-47.6-179.6178.561.8000111.7F153 F174 Y178 K187 A188 C189 T194 A195F153-L191 HydrophobicContact CE2-CD1 3.69Å; F153-L191 HydrophobicContact CZ-CD1 3.79Å; F174-L191 HydrophobicContact CB-CD2 3.87Å; F174-L191 HydrophobicContact CD1-CD2 3.84Å; F174-L191 HydrophobicContact CG-CD2 3.88Å; Y178-L191 HydrophobicContact CD2-CD2 3.95Å; Y178-L191 HydrophobicContact CE2-CD2 3.97Å; K187-L191 WeakPolarHBondContact O-CB 3.26Å; K187-L191 PolarHBondContact O-N 3.37Å; A188-L191 PolarHBondContact O-N 3.45Å; C189-L191 PolarHBondContact O-N 3.48Å; L191-T194 PolarHBondContact O-N 3.01Å; L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.19Å
192A97.6Very high96.1Very high0 Ų061 Ų610%033%0.331CS..Hα-helixtrans-63-42.9179.700000111.6A188 C189 F196 L221 L225 W228A188-A192 WeakPolarHBondContact O-CB 3.48Å; A188-A192 PolarHBondContact O-N 3.39Å; C189-A192 PolarHBondContact O-N 2.92Å; A192-F196 WeakPolarHBondContact O-CB 3.21Å; A192-F196 PolarHBondContact O-N 3.49Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A192-L225 HydrophobicContact CB-CD1 4.29Å; A192-L225 HydrophobicContact CB-CD2 3.87Å; A192-L225 HydrophobicContact CB-CG 3.94Å; A192-W228 HydrophobicContact CB-CZ3 4.28Å
193K96.8Very high95.9Very high120 Ų12059.8 Ų59.852%0.52232%0.324SS..Hα-helixtrans-64.9-48.3178.1-173.2-176.8177.2-162.30111.8C189 A195 F196 D197 L225C189-K193 WeakPolarHBondContact O-CB 3.32Å; C189-K193 PolarHBondContact O-N 2.96Å; K193-A195 VanDerWaalsContact C-N 3.34Å; K193-A195 PolarHBondContact O-N 3Å; K193-F196 PolarHBondContact O-N 2.96Å; K193-D197 WeakPolarHBondContact CE-OD2 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.23Å; K193-D197 VanDerWaalsContact O-CG 3.32Å; K193-D197 PolarHBondContact O-N 3.01Å; K193-L225 HydrophobicContact CB-CD1 4.26Å; K193-L225 HydrophobicContact CB-CD2 4.28Å
194T97.6Very high95.7Very high66 Ų6661 Ų6141%0.40533%0.331SS..Hα-helixtrans-58.5-45.8177.7-64.40000111.5S190 L191 F196 D197 E198S190-T194 WeakPolarHBondContact O-CB 3.35Å; S190-T194 PolarHBondContact O-N 3.47Å; S190-T194 PolarHBondContact O-OG1 2.85Å; L191-T194 PolarHBondContact O-N 3.01Å; T194-F196 VanDerWaalsContact C-N 3.33Å; T194-F196 PolarHBondContact O-N 3.46Å; T194-D197 PolarHBondContact O-N 2.95Å; T194-E198 HydrophobicContact CG2-CG 4.24Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.34Å; T194-E198 WeakPolarHBondContact O-CB 3.48Å; T194-E198 VanDerWaalsContact O-CG 3.28Å; T194-E198 WeakPolarHBondContact O-CG 3.47Å; T194-E198 PolarHBondContact O-N 2.58Å
195A97.4Very high95.2Very high12 Ų1263.7 Ų63.710%0.09935%0.346CS..Hα-helixtrans-63.1-38.9178.100000112.6A171 L191 K193 A199 L221A171-A195 HydrophobicContact CB-CB 3.52Å; L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.19Å; K193-A195 VanDerWaalsContact C-N 3.34Å; K193-A195 PolarHBondContact O-N 3Å; A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 2.9Å; A195-A199 VanDerWaalsContact O-N 3.16Å; A195-L221 HydrophobicContact CB-CD1 4.33Å
196F96.9Very high94.9Very high45 Ų4563.9 Ų63.920%0.19735%0.345CS..Hα-helixtrans-65.5-49.4176.3-174-87.7000111.8A192 K193 T194 A199 I200 M218 L221 R222A192-F196 WeakPolarHBondContact O-CB 3.21Å; A192-F196 PolarHBondContact O-N 3.49Å; K193-F196 PolarHBondContact O-N 2.96Å; T194-F196 VanDerWaalsContact C-N 3.33Å; T194-F196 PolarHBondContact O-N 3.46Å; F196-A199 PolarHBondContact O-N 3.32Å; F196-I200 HydrophobicContact CD1-CG1 3.93Å; F196-I200 HydrophobicContact CE1-CD1 4.07Å; F196-I200 HydrophobicContact CE1-CG1 3.59Å; F196-I200 HydrophobicContact CZ-CD1 4.09Å; F196-I200 HydrophobicContact CZ-CG1 4.07Å; F196-I200 WeakPolarHBondContact O-CG1 3.24Å; F196-I200 PolarHBondContact O-N 3.41Å; F196-M218 HydrophobicContact CD2-CB 4.05Å; F196-M218 WeakPolarHBondContact CD2-O 3.35Å; F196-M218 HydrophobicContact CE2-CB 3.95Å; F196-M218 HydrophobicContact CE2-CE 4.38Å; F196-M218 WeakPolarHBondContact CE2-O 3.46Å; F196-L221 HydrophobicContact CD2-CB 4.36Å; F196-R222 HydrophobicContact CD2-CB 4.46Å; F196-R222 HydrophobicContact CE2-CB 3.97Å
197D96.9Very high94.4Very high81 Ų8160.6 Ų60.643%0.43333%0.332SS..Hα-helixtrans-64.6-43-178-69.4-16.8000111.7K193 T194 A199 I200 A201K193-D197 WeakPolarHBondContact CE-OD2 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.23Å; K193-D197 VanDerWaalsContact O-CG 3.32Å; K193-D197 PolarHBondContact O-N 3.01Å; T194-D197 PolarHBondContact O-N 2.95Å; D197-A199 VanDerWaalsContact C-N 3.35Å; D197-A199 PolarHBondContact O-N 3.26Å; D197-I200 PolarHBondContact O-N 3.13Å; D197-A201 PolarHBondContact O-N 2.89Å; D197-A201 VanDerWaalsContact O-N 3.15Å
198E96Very high93.8Very high69 Ų6962.4 Ų62.432%0.32234%0.343SS..Hα-helixtrans-61.3-41.7175-72.8178.9179.800111.7P162 R167 T194 A201P162-E198 HydrophobicContact CB-CB 3.87Å; P162-E198 HydrophobicContact CG-CB 4.37Å; R167-E198 IonicContact CZ-OE2 3.89Å; R167-E198 IonicContact NH2-OE2 2.63Å; R167-E198 PolarHBondContact NH2-OE2 2.98Å; T194-E198 HydrophobicContact CG2-CG 4.24Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.34Å; T194-E198 WeakPolarHBondContact O-CB 3.48Å; T194-E198 VanDerWaalsContact O-CG 3.28Å; T194-E198 WeakPolarHBondContact O-CG 3.47Å; T194-E198 PolarHBondContact O-N 2.58Å; E198-A201 PolarHBondContact O-N 3.43Å
199A95.8Very high92.9Very high0 Ų069.9 Ų69.90%038%0.377CS..Hα-helixtrans-71.6-35.3179.200000113T163 L168 A195 F196 D197 A201 E202 L203 M218T163-A199 HydrophobicContact CG2-CB 4.27Å; T163-A199 WeakPolarHBondContact CG2-O 3.21Å; L168-A199 HydrophobicContact CD2-CB 3.8Å; A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 2.9Å; A195-A199 VanDerWaalsContact O-N 3.16Å; F196-A199 PolarHBondContact O-N 3.32Å; D197-A199 VanDerWaalsContact C-N 3.35Å; D197-A199 PolarHBondContact O-N 3.26Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.05Å; A199-E202 PolarHBondContact O-N 3.33Å; A199-L203 PolarHBondContact O-N 3.37Å; A199-M218 HydrophobicContact CB-CE 3.9Å; A199-M218 HydrophobicContact CB-CG 4.31Å; A199-M218 HydrophobicContact CB-SD 3.88Å
200I94.8Very high92.2Very high85 Ų8570.6 Ų70.644%0.43638%0.382SS..Hα-helixtrans-60.4-41.8172.9-74.2-70.4000111F196 D197 E202 L203 M218F196-I200 HydrophobicContact CD1-CG1 3.93Å; F196-I200 HydrophobicContact CE1-CD1 4.07Å; F196-I200 HydrophobicContact CE1-CG1 3.59Å; F196-I200 HydrophobicContact CZ-CD1 4.09Å; F196-I200 HydrophobicContact CZ-CG1 4.07Å; F196-I200 WeakPolarHBondContact O-CG1 3.24Å; F196-I200 PolarHBondContact O-N 3.41Å; D197-I200 PolarHBondContact O-N 3.13Å; I200-E202 PolarHBondContact O-N 3Å; I200-L203 PolarHBondContact O-N 3.44Å; I200-M218 HydrophobicContact CB-CE 4.42Å; I200-M218 HydrophobicContact CD1-CE 3.39Å; I200-M218 HydrophobicContact CG1-CE 3.53Å
201A94.9Very high91.8Very high84 Ų8472.3 Ų72.369%0.69438%0.379SS*.Hα-helixtrans-62.7-23.7-17800000113.7D197 E198 A199D197-A201 PolarHBondContact O-N 2.89Å; D197-A201 VanDerWaalsContact O-N 3.15Å; E198-A201 PolarHBondContact O-N 3.43Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.05Å
202E93.8Very high91.5Very high66 Ų6677 Ų7731%0.30840%0.398SS..THydrogen-bonded Turntrans-118.79.6-176.3-64.1-176.2-158.100113.2Q161 P162 T163 A199 I200 D204 T205Q161-E202 PolarHBondContact OE1-OE2 3.45Å; P162-E202 WeakPolarHBondContact CD-OE2 3.46Å; T163-E202 HydrophobicContact CG2-CB 3.93Å; A199-E202 PolarHBondContact O-N 3.33Å; I200-E202 PolarHBondContact O-N 3Å; E202-D204 VanDerWaalsContact C-N 3.25Å; E202-D204 PolarHBondContact O-N 2.86Å; E202-T205 WeakPolarHBondContact O-CB 3.32Å; E202-T205 PolarHBondContact O-N 2.9Å; E202-T205 VanDerWaalsContact O-N 3.1Å; E202-T205 PolarHBondContact O-OG1 3.46Å
203L90.1Very high91.2Very high22 Ų2281.2 Ų81.212%0.11542%0.421CS..G310 helixtrans-62.1-33-172.4-16369.9000113A199 I200 T205 L206 Y211 T215 M218A199-L203 PolarHBondContact O-N 3.37Å; I200-L203 PolarHBondContact O-N 3.44Å; L203-T205 PolarHBondContact O-N 3.43Å; L203-T205 VanDerWaalsContact O-N 3.12Å; L203-L206 HydrophobicContact CD1-CD1 3.88Å; L203-L206 PolarHBondContact O-N 3Å; L203-Y211 HydrophobicContact CD1-CE2 4.37Å; L203-Y211 HydrophobicContact CD2-CE2 3.92Å; L203-Y211 HydrophobicContact CG-CD2 4.33Å; L203-Y211 HydrophobicContact CG-CE2 3.84Å; L203-T215 HydrophobicContact CD1-CG2 4.19Å; L203-T215 HydrophobicContact CD2-CG2 4.37Å; L203-M218 HydrophobicContact CD1-CE 4.17Å; L203-M218 HydrophobicContact CD1-SD 3.68Å
204D89.1Confident91Very high167 Ų16775.5 Ų75.589%0.89340%0.396SS*.G310 helixtrans-67-9.8-179.9-66.4-24.3000113.5E202E202-D204 VanDerWaalsContact C-N 3.25Å; E202-D204 PolarHBondContact O-N 2.86Å
205T86.4Confident90.8Very high102 Ų10274.4 Ų74.463%0.62639%0.389SS*.G310 helixtrans-87.9-9.6179.769.20000113.7E202 L203E202-T205 WeakPolarHBondContact O-CB 3.32Å; E202-T205 PolarHBondContact O-N 2.9Å; E202-T205 VanDerWaalsContact O-N 3.1Å; E202-T205 PolarHBondContact O-OG1 3.46Å; L203-T205 PolarHBondContact O-N 3.43Å; L203-T205 VanDerWaalsContact O-N 3.12Å
206L87.9Confident90.7Very high38 Ų3879 Ų7920%0.19941%0.412CS..  trans-79.2147.7-173.9-68.9-179.1000113.3T163 L203 Y211T163-L206 HydrophobicContact CG2-CD1 4.32Å; T163-L206 HydrophobicContact CG2-CG 4.35Å; T163-L206 WeakPolarHBondContact OG1-CD2 3.36Å; L203-L206 HydrophobicContact CD1-CD1 3.88Å; L203-L206 PolarHBondContact O-N 3Å; L206-Y211 HydrophobicContact CB-CD2 4.35Å; L206-Y211 HydrophobicContact CD1-CD2 4.44Å
207N85.4Confident90.7Very high96 Ų9678.3 Ų78.351%0.51341%0.41SS..  trans-79.4165.3164.464.642.7000111.3E209 S210 Y211N207-E209 VanDerWaalsContact C-N 3.32Å; N207-E209 PolarHBondContact O-N 3.26Å; N207-E209 PolarHBondContact OD1-N 3.37Å; N207-S210 PolarHBondContact O-N 2.68Å; N207-S210 VanDerWaalsContact OD1-CB 3.26Å; N207-S210 WeakPolarHBondContact OD1-CB 3.33Å; N207-S210 PolarHBondContact OD1-N 2.95Å; N207-S210 PolarHBondContact OD1-OG 2.98Å; N207-Y211 WeakPolarHBondContact O-CB 3.4Å; N207-Y211 PolarHBondContact O-N 2.82Å
208E82.6Confident90.7Very high142 Ų14274.8 Ų74.866%0.66439%0.391SS*.Hα-helixtrans-59.8-37-172.8-162.8-166.8150.300113.9K212E208-K212 PolarHBondContact O-N 3.38Å; E208-K212 IonicContact OE1-NZ 3.9Å; E208-K212 PolarHBondContact OE1-NZ 3.14Å
209E78.6Confident90.7Very high156 Ų15674.5 Ų74.573%0.72939%0.389SS*.Hα-helixtrans-68.6-50.6-180-174.2176.4-172.500111.1N207 Y211 K212N207-E209 VanDerWaalsContact C-N 3.32Å; N207-E209 PolarHBondContact O-N 3.26Å; N207-E209 PolarHBondContact OD1-N 3.37Å; E209-Y211 VanDerWaalsContact C-N 3.28Å; E209-Y211 PolarHBondContact O-N 2.92Å; E209-K212 PolarHBondContact O-N 3.15Å
210S83Confident90.8Very high37 Ų3778.3 Ų78.326%0.25941%0.409SS..Hα-helixtrans-67.3-31.9178.7-54.40000111.7N207 K212 D213 S214N207-S210 PolarHBondContact O-N 2.68Å; N207-S210 VanDerWaalsContact OD1-CB 3.26Å; N207-S210 WeakPolarHBondContact OD1-CB 3.33Å; N207-S210 PolarHBondContact OD1-N 2.95Å; N207-S210 PolarHBondContact OD1-OG 2.98Å; S210-K212 PolarHBondContact O-N 2.92Å; S210-D213 PolarHBondContact O-N 3.22Å; S210-S214 VanDerWaalsContact O-CB 3.32Å; S210-S214 WeakPolarHBondContact O-CB 3.45Å; S210-S214 PolarHBondContact O-N 3.46Å; S210-S214 PolarHBondContact O-OG 3.14Å
211Y89.1Confident90.9Very high108 Ų10874.2 Ų74.242%0.42439%0.388SS..Hα-helixtrans-59.9-44.1178.5-174.6-88.5000111.9L203 L206 N207 E209 T215L203-Y211 HydrophobicContact CD1-CE2 4.37Å; L203-Y211 HydrophobicContact CD2-CE2 3.92Å; L203-Y211 HydrophobicContact CG-CD2 4.33Å; L203-Y211 HydrophobicContact CG-CE2 3.84Å; L206-Y211 HydrophobicContact CB-CD2 4.35Å; L206-Y211 HydrophobicContact CD1-CD2 4.44Å; N207-Y211 WeakPolarHBondContact O-CB 3.4Å; N207-Y211 PolarHBondContact O-N 2.82Å; E209-Y211 VanDerWaalsContact C-N 3.28Å; E209-Y211 PolarHBondContact O-N 2.92Å; Y211-T215 HydrophobicContact CD1-CG2 3.99Å; Y211-T215 HydrophobicContact CD2-CG2 4.33Å; Y211-T215 HydrophobicContact CE1-CG2 3.68Å; Y211-T215 HydrophobicContact CE2-CG2 4.06Å; Y211-T215 HydrophobicContact CG-CG2 4.3Å; Y211-T215 VanDerWaalsContact O-CB 3.31Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.24Å; Y211-T215 WeakPolarHBondContact O-CG2 3.41Å; Y211-T215 PolarHBondContact O-N 2.94Å; Y211-T215 PolarHBondContact O-OG1 2.66Å
212K90.5Very high90.9Very high121 Ų12176.1 Ų76.153%0.52638%0.377SS..Hα-helixtrans-63.6-46.1-179.5-72.6174-173.1159.70111.6E208 E209 S210 T215 L216E208-K212 PolarHBondContact O-N 3.38Å; E208-K212 IonicContact OE1-NZ 3.9Å; E208-K212 PolarHBondContact OE1-NZ 3.14Å; E209-K212 PolarHBondContact O-N 3.15Å; S210-K212 PolarHBondContact O-N 2.92Å; K212-T215 PolarHBondContact O-OG1 2.99Å; K212-L216 WeakPolarHBondContact O-CB 3.48Å; K212-L216 PolarHBondContact O-N 3.49Å; K212-L216 VanDerWaalsContact O-N 3.14Å
213D90.8Very high91.1Very high89 Ų8976.3 Ų76.348%0.47638%0.381SS..Hα-helixtrans-68-45.1-179.6-73.7-8.7000112P165 S210 L216 I217P165-D213 HydrophobicContact CB-CB 4.25Å; P165-D213 HydrophobicContact CG-CB 3.9Å; S210-D213 PolarHBondContact O-N 3.22Å; D213-L216 PolarHBondContact O-N 3.34Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.18Å
214S93.4Very high91.3Very high0 Ų077 Ų770%039%0.385CS..Hα-helixtrans-65.8-44.2-179.8-61.60000112T163 S210 L216 I217 M218T163-S214 WeakPolarHBondContact O-CB 3.33Å; T163-S214 PolarHBondContact O-OG 3.2Å; S210-S214 VanDerWaalsContact O-CB 3.32Å; S210-S214 WeakPolarHBondContact O-CB 3.45Å; S210-S214 PolarHBondContact O-N 3.46Å; S210-S214 PolarHBondContact O-OG 3.14Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; S214-I217 PolarHBondContact O-N 3.47Å; S214-M218 VanDerWaalsContact O-CG 3.23Å; S214-M218 WeakPolarHBondContact O-CG 3.48Å; S214-M218 PolarHBondContact O-N 3.42Å
215T93.8Very high91.6Very high42 Ų4270.4 Ų70.426%0.25835%0.349SS..Hα-helixtrans-66.1-35178.953.10000112.7L203 Y211 K212 I217 M218 Q219L203-T215 HydrophobicContact CD1-CG2 4.19Å; L203-T215 HydrophobicContact CD2-CG2 4.37Å; Y211-T215 HydrophobicContact CD1-CG2 3.99Å; Y211-T215 HydrophobicContact CD2-CG2 4.33Å; Y211-T215 HydrophobicContact CE1-CG2 3.68Å; Y211-T215 HydrophobicContact CE2-CG2 4.06Å; Y211-T215 HydrophobicContact CG-CG2 4.3Å; Y211-T215 VanDerWaalsContact O-CB 3.31Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.24Å; Y211-T215 WeakPolarHBondContact O-CG2 3.41Å; Y211-T215 PolarHBondContact O-N 2.94Å; Y211-T215 PolarHBondContact O-OG1 2.66Å; K212-T215 PolarHBondContact O-OG1 2.99Å; T215-I217 PolarHBondContact O-N 3.27Å; T215-M218 PolarHBondContact O-N 2.81Å; T215-Q219 WeakPolarHBondContact O-CB 3.28Å; T215-Q219 PolarHBondContact O-N 3.28Å
216L94.9Very high92Very high110 Ų11069.6 Ų69.658%0.57634%0.344SS*.Hα-helixtrans-61.1-43.3172.9179.162.3000111.7K212 D213 S214 Q219 L220K212-L216 WeakPolarHBondContact O-CB 3.48Å; K212-L216 PolarHBondContact O-N 3.49Å; K212-L216 VanDerWaalsContact O-N 3.14Å; D213-L216 PolarHBondContact O-N 3.34Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; L216-Q219 WeakPolarHBondContact O-CB 3.38Å; L216-Q219 PolarHBondContact O-N 2.93Å; L216-L220 WeakPolarHBondContact O-CG 3.35Å; L216-L220 PolarHBondContact O-N 2.86Å
217I96.4Very high92.3Very high30 Ų3072 Ų7215%0.15436%0.356CS..Hα-helixtrans-72-39179.4-59.4167.2000111.2P165 L168 L172 D213 S214 T215 Q219 L220 L221P165-I217 HydrophobicContact CB-CD1 4.01Å; P165-I217 WeakPolarHBondContact O-CD1 3.39Å; L168-I217 HydrophobicContact CB-CB 4.19Å; L168-I217 HydrophobicContact CB-CD1 4.42Å; L168-I217 HydrophobicContact CB-CG2 3.68Å; L172-I217 HydrophobicContact CB-CG2 4.38Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.18Å; S214-I217 PolarHBondContact O-N 3.47Å; T215-I217 PolarHBondContact O-N 3.27Å; I217-Q219 PolarHBondContact O-N 3.34Å; I217-L220 WeakPolarHBondContact O-CB 3.31Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-L220 VanDerWaalsContact O-N 3.13Å; I217-L221 PolarHBondContact O-N 2.91Å
218M96.9Very high92.7Very high7 Ų767.7 Ų67.73%0.03433%0.333CS..Hα-helixtrans-60.2-37.5173.9-70.2169.17200111.6L168 F196 A199 I200 L203 S214 T215 L221 R222L168-M218 HydrophobicContact CD1-CG 4.01Å; L168-M218 HydrophobicContact CD1-SD 4.47Å; L168-M218 HydrophobicContact CD2-CG 4.22Å; F196-M218 HydrophobicContact CD2-CB 4.05Å; F196-M218 WeakPolarHBondContact CD2-O 3.35Å; F196-M218 HydrophobicContact CE2-CB 3.95Å; F196-M218 HydrophobicContact CE2-CE 4.38Å; F196-M218 WeakPolarHBondContact CE2-O 3.46Å; A199-M218 HydrophobicContact CB-CE 3.9Å; A199-M218 HydrophobicContact CB-CG 4.31Å; A199-M218 HydrophobicContact CB-SD 3.88Å; I200-M218 HydrophobicContact CB-CE 4.42Å; I200-M218 HydrophobicContact CD1-CE 3.39Å; I200-M218 HydrophobicContact CG1-CE 3.53Å; L203-M218 HydrophobicContact CD1-CE 4.17Å; L203-M218 HydrophobicContact CD1-SD 3.68Å; S214-M218 VanDerWaalsContact O-CG 3.23Å; S214-M218 WeakPolarHBondContact O-CG 3.48Å; S214-M218 PolarHBondContact O-N 3.42Å; T215-M218 PolarHBondContact O-N 2.81Å; M218-L221 WeakPolarHBondContact O-CB 3.33Å; M218-L221 PolarHBondContact O-N 3.41Å; M218-R222 PolarHBondContact O-N 2.78Å
219Q96.7Very high93Very high62 Ų6264 Ų6429%0.2932%0.32SS..Hα-helixtrans-60-45.4173.3-179.656.237.600111.5T215 L216 I217 L221 R222 D223T215-Q219 WeakPolarHBondContact O-CB 3.28Å; T215-Q219 PolarHBondContact O-N 3.28Å; L216-Q219 WeakPolarHBondContact O-CB 3.38Å; L216-Q219 PolarHBondContact O-N 2.93Å; I217-Q219 PolarHBondContact O-N 3.34Å; Q219-L221 PolarHBondContact O-N 3.43Å; Q219-R222 WeakPolarHBondContact O-CB 3.4Å; Q219-R222 PolarHBondContact O-N 3.04Å; Q219-D223 PolarHBondContact NE2-OD1 3.47Å; Q219-D223 PolarHBondContact NE2-OD2 3.03Å; Q219-D223 VanDerWaalsContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 2.74Å
220L97Very high93.5Very high80 Ų8059.7 Ų59.742%0.41931%0.307SS..Hα-helixtrans-63.3-38.7176.6-64.4173.1000112.6L172 L216 I217 R222 D223 N224L172-L220 HydrophobicContact CD1-CB 4.12Å; L172-L220 HydrophobicContact CD2-CB 3.84Å; L172-L220 HydrophobicContact CD2-CD1 3.89Å; L216-L220 WeakPolarHBondContact O-CG 3.35Å; L216-L220 PolarHBondContact O-N 2.86Å; I217-L220 WeakPolarHBondContact O-CB 3.31Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-L220 VanDerWaalsContact O-N 3.13Å; L220-R222 VanDerWaalsContact C-N 3.35Å; L220-D223 PolarHBondContact O-N 3.14Å; L220-N224 PolarHBondContact O-N 2.95Å
221L96.7Very high93.5Very high0 Ų062.2 Ų62.20%032%0.315CS..Hα-helixtrans-60.4-44.9173.3-77.4168.7000111.4L168 L172 A192 A195 F196 I217 M218 Q219 N224 L225L168-L221 HydrophobicContact CD2-CD1 4.12Å; L172-L221 HydrophobicContact CB-CD2 3.93Å; L172-L221 HydrophobicContact CB-CG 4.27Å; L172-L221 HydrophobicContact CD1-CD2 3.84Å; L172-L221 HydrophobicContact CD1-CG 4.09Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A195-L221 HydrophobicContact CB-CD1 4.33Å; F196-L221 HydrophobicContact CD2-CB 4.36Å; I217-L221 PolarHBondContact O-N 2.91Å; M218-L221 WeakPolarHBondContact O-CB 3.33Å; M218-L221 PolarHBondContact O-N 3.41Å; Q219-L221 PolarHBondContact O-N 3.43Å; L221-N224 PolarHBondContact O-N 3.05Å; L221-L225 WeakPolarHBondContact O-CG 3.35Å; L221-L225 PolarHBondContact O-N 3.41Å
222R96.5Very high92.7Very high123 Ų12360.3 Ų60.346%0.46431%0.312SS..Hα-helixtrans-63.3-41177-172.8-177.174.8178.25112.1F196 M218 Q219 L220 L225 T226F196-R222 HydrophobicContact CD2-CB 4.46Å; F196-R222 HydrophobicContact CE2-CB 3.97Å; M218-R222 PolarHBondContact O-N 2.78Å; Q219-R222 WeakPolarHBondContact O-CB 3.4Å; Q219-R222 PolarHBondContact O-N 3.04Å; L220-R222 VanDerWaalsContact C-N 3.35Å; R222-L225 PolarHBondContact O-N 3.41Å; R222-T226 PolarHBondContact O-N 3.5Å; R222-T226 PolarHBondContact O-OG1 2.96Å
223D96.9Very high91.4Very high70 Ų7061.4 Ų61.437%0.37432%0.319SS..Hα-helixtrans-65.7-43.4-179.8-65.3-13.3000110.7Q219 L220 T226 L227Q219-D223 PolarHBondContact NE2-OD1 3.47Å; Q219-D223 PolarHBondContact NE2-OD2 3.03Å; Q219-D223 VanDerWaalsContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 2.74Å; L220-D223 PolarHBondContact O-N 3.14Å; D223-T226 PolarHBondContact O-N 2.99Å; D223-L227 PolarHBondContact O-N 3.47Å
224N94.9Very high89.7Confident37 Ų3759.6 Ų59.620%0.19832%0.322CS..Hα-helixtrans-60.8-46.7172.8-78.11.6000112.3L172 V176 L220 L221 T226 L227 W228L172-N224 WeakPolarHBondContact CD1-ND2 3.45Å; V176-N224 WeakPolarHBondContact CG2-ND2 3.14Å; L220-N224 PolarHBondContact O-N 2.95Å; L221-N224 PolarHBondContact O-N 3.05Å; N224-T226 VanDerWaalsContact C-N 3.3Å; N224-T226 PolarHBondContact O-N 2.88Å; N224-L227 PolarHBondContact O-N 3.28Å; N224-W228 HydrophobicContact CB-CD2 4.25Å; N224-W228 HydrophobicContact CB-CE3 4.19Å; N224-W228 HydrophobicContact CB-CH2 3.76Å; N224-W228 HydrophobicContact CB-CZ2 3.8Å; N224-W228 HydrophobicContact CB-CZ3 3.96Å; N224-W228 WeakPolarHBondContact O-CB 3.38Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 2.66Å
225L94.9Very high87.7Confident29 Ų2966.5 Ų66.515%0.15236%0.359CS..Hα-helixtrans-58.7-41.8176.9-76.7168.8000112.1C189 A192 K193 L221 R222 T229C189-L225 HydrophobicContact CB-CD2 4.13Å; C189-L225 WeakPolarHBondContact O-CD2 3.42Å; A192-L225 HydrophobicContact CB-CD1 4.29Å; A192-L225 HydrophobicContact CB-CD2 3.87Å; A192-L225 HydrophobicContact CB-CG 3.94Å; K193-L225 HydrophobicContact CB-CD1 4.26Å; K193-L225 HydrophobicContact CB-CD2 4.28Å; L221-L225 WeakPolarHBondContact O-CG 3.35Å; L221-L225 PolarHBondContact O-N 3.41Å; R222-L225 PolarHBondContact O-N 3.41Å; L225-T229 VanDerWaalsContact O-CB 3.32Å; L225-T229 WeakPolarHBondContact O-CB 3.45Å; L225-T229 WeakPolarHBondContact O-CG2 3.16Å; L225-T229 PolarHBondContact O-N 2.93Å; L225-T229 PolarHBondContact O-OG1 3.34Å
226T95Very high85.5Confident85 Ų8572.7 Ų72.752%0.52139%0.385SS..Hα-helixtrans-64-45.2178.4-55.40000110.9R222 D223 N224 T229 S230R222-T226 PolarHBondContact O-N 3.5Å; R222-T226 PolarHBondContact O-OG1 2.96Å; D223-T226 PolarHBondContact O-N 2.99Å; N224-T226 VanDerWaalsContact C-N 3.3Å; N224-T226 PolarHBondContact O-N 2.88Å; T226-T229 PolarHBondContact O-OG1 2.87Å; T226-S230 WeakPolarHBondContact O-CB 3.42Å; T226-S230 PolarHBondContact O-N 3.2Å; T226-S230 VanDerWaalsContact O-N 3.14Å; T226-S230 PolarHBondContact O-OG 2.89Å
227L94Very high83Confident87 Ų8770.5 Ų70.546%0.45539%0.389SS..Hα-helixtrans-60.4-55177.4-178.565.5000111.1D223 N224 T229 S230 E231D223-L227 PolarHBondContact O-N 3.47Å; N224-L227 PolarHBondContact O-N 3.28Å; L227-T229 PolarHBondContact O-N 3.07Å; L227-S230 PolarHBondContact O-N 3.28Å; L227-S230 VanDerWaalsContact O-N 3.17Å; L227-S230 PolarHBondContact O-OG 3.32Å; L227-E231 PolarHBondContact O-N 3.16Å
228W94.6Very high80.4Confident7 Ų776.7 Ų76.73%0.02742%0.423CS..Hα-helixtrans-66.7-35-174.9-59.4-25000113.5V176 Y179 A188 A192 N224 N232V176-W228 HydrophobicContact CG2-CH2 4.16Å; V176-W228 HydrophobicContact CG2-CZ2 4.08Å; Y179-W228 AromaticContact CD1-CD1 3.82Å; Y179-W228 AromaticContact CD1-CE2 3.96Å; Y179-W228 HydrophobicContact CD1-CG 4.48Å; Y179-W228 AromaticContact CD1-NE1 3.46Å; Y179-W228 HydrophobicContact CD2-CB 4.2Å; Y179-W228 AromaticContact CD2-CD1 3.77Å; Y179-W228 AromaticContact CD2-CD2 3.63Å; Y179-W228 HydrophobicContact CD2-CD2 3.63Å; Y179-W228 AromaticContact CD2-CE2 3.79Å; Y179-W228 HydrophobicContact CD2-CE3 4.2Å; Y179-W228 AromaticContact CD2-CG 3.62Å; Y179-W228 HydrophobicContact CD2-CG 3.62Å; Y179-W228 HydrophobicContact CD2-CZ2 4.46Å; Y179-W228 AromaticContact CD2-NE1 3.86Å; Y179-W228 AromaticContact CE1-CD1 3.42Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.42Å; Y179-W228 HydrophobicContact CE1-CG 4.21Å; Y179-W228 AromaticContact CE1-NE1 3.52Å; Y179-W228 HydrophobicContact CE2-CB 3.57Å; Y179-W228 AromaticContact CE2-CD1 3.4Å; Y179-W228 AromaticContact CE2-CD2 3.89Å; Y179-W228 HydrophobicContact CE2-CD2 3.89Å; Y179-W228 AromaticContact CE2-CG 3.33Å; Y179-W228 HydrophobicContact CE2-CG 3.33Å; Y179-W228 AromaticContact CE2-NE1 3.94Å; Y179-W228 AromaticContact CG-CD1 3.97Å; Y179-W228 HydrophobicContact CG-CD2 4.01Å; Y179-W228 AromaticContact CG-CE2 3.65Å; Y179-W228 HydrophobicContact CG-CG 4.2Å; Y179-W228 HydrophobicContact CG-CZ2 4.05Å; Y179-W228 AromaticContact CG-NE1 3.63Å; Y179-W228 AromaticContact CZ-CD1 3.19Å; Y179-W228 AromaticContact CZ-CG 3.64Å; Y179-W228 AromaticContact CZ-NE1 3.77Å; A188-W228 HydrophobicContact CB-CE3 4.33Å; A188-W228 HydrophobicContact CB-CH2 4.45Å; A188-W228 HydrophobicContact CB-CZ3 4.01Å; A192-W228 HydrophobicContact CB-CZ3 4.28Å; N224-W228 HydrophobicContact CB-CD2 4.25Å; N224-W228 HydrophobicContact CB-CE3 4.19Å; N224-W228 HydrophobicContact CB-CH2 3.76Å; N224-W228 HydrophobicContact CB-CZ2 3.8Å; N224-W228 HydrophobicContact CB-CZ3 3.96Å; N224-W228 WeakPolarHBondContact O-CB 3.38Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 2.66Å; W228-N232 PolarHBondContact O-N 3.48Å; W228-N232 VanDerWaalsContact O-N 3.15Å
229T89.3Confident77.7Confident63 Ų6380.9 Ų80.939%0.38746%0.458SS..Hα-helixtrans-71.8-31.2175.752.60000112.4L225 T226 L227 Q233L225-T229 VanDerWaalsContact O-CB 3.32Å; L225-T229 WeakPolarHBondContact O-CB 3.45Å; L225-T229 WeakPolarHBondContact O-CG2 3.16Å; L225-T229 PolarHBondContact O-N 2.93Å; L225-T229 PolarHBondContact O-OG1 3.34Å; T226-T229 PolarHBondContact O-OG1 2.87Å; L227-T229 PolarHBondContact O-N 3.07Å; T229-Q233 WeakPolarHBondContact O-CG 3.43Å; T229-Q233 PolarHBondContact O-N 3.23Å
230S89.1Confident75.3Confident66 Ų6681 Ų8146%0.46248%0.476SS..Hα-helixtrans-72-37.3174.572.10000113T226 L227 Q233 G234T226-S230 WeakPolarHBondContact O-CB 3.42Å; T226-S230 PolarHBondContact O-N 3.2Å; T226-S230 VanDerWaalsContact O-N 3.14Å; T226-S230 PolarHBondContact O-OG 2.89Å; L227-S230 PolarHBondContact O-N 3.28Å; L227-S230 VanDerWaalsContact O-N 3.17Å; L227-S230 PolarHBondContact O-OG 3.32Å; S230-Q233 PolarHBondContact O-N 3.19Å; S230-G234 PolarHBondContact O-N 3.01Å
231E82.8Confident72.7Confident90 Ų9087 Ų8742%0.42150%0.502SS..Hα-helixtrans-65.7-45.1175.9-70.7177.7168.600111Y179 L227 Q233 G234 D235Y179-E231 PolarHBondContact OH-OE2 3.37Å; L227-E231 PolarHBondContact O-N 3.16Å; E231-Q233 VanDerWaalsContact C-N 3.31Å; E231-Q233 PolarHBondContact O-N 3.42Å; E231-G234 PolarHBondContact O-N 3.1Å; E231-G234 VanDerWaalsContact O-N 3.14Å; E231-D235 PolarHBondContact O-N 3.12Å
232N71.6Confident70.2Confident69 Ų6990.6 Ų90.637%0.36954%0.539SS..Hα-helixtrans-64.5-31.1178-81.618000113.8W228 G234W228-N232 PolarHBondContact O-N 3.48Å; W228-N232 VanDerWaalsContact O-N 3.15Å; N232-G234 VanDerWaalsContact C-N 3.34Å
233Q63.8Low67.6Low143 Ų14393.5 Ų93.567%0.66856%0.558SS**Hα-helixtrans-75.8-23.4176.2-73.8173.426.400112.8T229 S230 E231T229-Q233 WeakPolarHBondContact O-CG 3.43Å; T229-Q233 PolarHBondContact O-N 3.23Å; S230-Q233 PolarHBondContact O-N 3.19Å; E231-Q233 VanDerWaalsContact C-N 3.31Å; E231-Q233 PolarHBondContact O-N 3.42Å
234G54.7Low64.7Low52 Ų52101.8 Ų101.854%0.53660%0.602SS.*Hα-helixtrans-72.9-32.7175.400000113.5S230 E231 N232S230-G234 PolarHBondContact O-N 3.01Å; E231-G234 PolarHBondContact O-N 3.1Å; E231-G234 VanDerWaalsContact O-N 3.14Å; N232-G234 VanDerWaalsContact C-N 3.34Å
235D52.1Low63.1Low145 Ų145105 Ų10578%0.77562%0.622SS**Hα-helixtrans-79.7-21.6179.4-98.7-3000113.5E231 G237E231-D235 PolarHBondContact O-N 3.12Å; D235-G237 VanDerWaalsContact C-N 3.29Å; D235-G237 PolarHBondContact O-N 3.15Å
236E45.7Very low61.5Low171 Ų171109 Ų10980%0.79965%0.647SS**THydrogen-bonded Turntrans-79.9-7.5174.6-72.5-171.9162.500113.5
237G42.3Very low59.6Low65 Ų65110.3 Ų110.367%0.6765%0.654SS**THydrogen-bonded Turntrans-94-9.6-174.300000116.9D235D235-G237 VanDerWaalsContact C-N 3.29Å; D235-G237 PolarHBondContact O-N 3.15Å
238D42.2Very low57.6Low160 Ų160111.7 Ų111.786%0.85667%0.666SS**SBendtrans-112.29.3-173.8-153.428000113.9
239A41.3Very low55.3Low95 Ų95118.3 Ų118.379%0.78571%0.705SS**SBendtrans-105.422.8-178.500000114.4
240G45.5Very low53Low64 Ų64121.9 Ų121.966%0.6673%0.727SS**SBendtrans-169.665.5-17700000115.9
241E43.3Very low50.4Low206 Ų206125.9 Ų125.996%0.96375%0.746SS**  trans-161.484150.5-111.2172.5-151.200110
242G43.8Very low47.9Very low75 Ų75128.7 Ų128.777%0.77377%0.771SS**  trans-164.930-178.800000114.8
243E41.8Very low46Very low184 Ų184133.7 Ų133.786%0.8680%0.804SS**  trans-142.294.3164.3-76.3-166.9156.400110.2
244N35.1Very low44.3Very low244 Ų244132.8 Ų132.8100%1.30582%0.817SS**  175.90129.6-88.6-28.3000111.4

Retrieved 244 of 244 residues in 530.6 ms (Link to these results)

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