1433Z_BOVIN Loading...

14-3-3 protein zeta/delta

Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways1. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif2. Binding generally results in the modulation of the activity of the binding partner3. Promotes cytosolic retention and inactivation of TFEB transcription factor by binding to phosphorylated TFEB. Induces ARHGEF7 activity on RAC1 as well as lamellipodia and membrane ruffle formation (By similarity). In neurons, regulates spine maturation through the modulation of ARHGEF7 activity (By similarity).

AlphaFold DB , UniProt , Accession P63103, Species BOVIN (Bos taurus, Bovine), Gene YWHAZ, Length 245 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
1M71.3Confident94.7Very high130 Ų13067.2 Ų67.264%0.6433%0.325SS*.  01390-162174.2-56.200106.4E5 L6 K9M1-E5 HydrophobicContact CG-CB 3.77Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.26Å; M1-L6 HydrophobicContact CB-CD1 4.31Å; M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 3.99Å; M1-L6 HydrophobicContact CE-CD2 4.36Å; M1-L6 HydrophobicContact CG-CD2 4.18Å; M1-L6 HydrophobicContact CG-CG 4.01Å; M1-L6 HydrophobicContact SD-CD2 3.49Å; M1-L6 WeakPolarHBondContact SD-CD2 3.49Å; M1-L6 HydrophobicContact SD-CG 3.86Å; M1-K9 HydrophobicContact CE-CD 4.43Å; M1-K9 HydrophobicContact SD-CD 3.71Å; M1-K9 PolarHBondContact SD-NZ 3.19Å
2D92.7Very high95Very high84 Ų8470.9 Ų70.945%0.44935%0.347SS..  trans-66.1151.8178.8179.243.6000110.7N4 E5 L6D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 WeakPolarHBondContact OD2-CB 3.49Å; D2-N4 PolarHBondContact OD2-N 3.43Å; D2-N4 PolarHBondContact OD2-ND2 3.48Å; D2-E5 HydrophobicContact CB-CB 4.49Å; D2-E5 HydrophobicContact CB-CG 4.17Å; D2-E5 PolarHBondContact N-OE2 2.91Å; D2-E5 PolarHBondContact O-N 3.39Å; D2-L6 PolarHBondContact O-N 3.04Å; D2-L6 VanDerWaalsContact O-N 3.12Å
3K95.4Very high95.3Very high40 Ų4066.2 Ų66.217%0.17433%0.326CS..Hα-helixtrans-53.8-45.4177.3-172.5179.2179.3-162.60110.9E5 L6 V7 V29 E40K3-E5 PolarHBondContact O-N 3.21Å; K3-L6 PolarHBondContact O-N 3.1Å; K3-V7 WeakPolarHBondContact O-CG2 3.39Å; K3-V7 PolarHBondContact O-N 3.43Å; K3-V29 HydrophobicContact CD-CG1 4.41Å; K3-V29 HydrophobicContact CG-CG1 4Å; K3-V29 HydrophobicContact CG-CG2 4.48Å; K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 VanDerWaalsContact CE-OE2 3.29Å; K3-E40 WeakPolarHBondContact CE-OE2 3.28Å; K3-E40 IonicContact NZ-OE1 3.8Å; K3-E40 PolarHBondContact NZ-OE1 3.24Å; K3-E40 IonicContact NZ-OE2 3.36Å; K3-E40 PolarHBondContact NZ-OE2 3.39Å
4N95.9Very high95.5Very high104 Ų10466.4 Ų66.456%0.55633%0.325SS*.Hα-helixtrans-65-41.2-177.8-59.8-55.5000111.8D2 L6 V7 Q8D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 WeakPolarHBondContact OD2-CB 3.49Å; D2-N4 PolarHBondContact OD2-N 3.43Å; D2-N4 PolarHBondContact OD2-ND2 3.48Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 2.88Å; N4-V7 PolarHBondContact O-N 3.5Å; N4-Q8 VanDerWaalsContact O-CG 3.27Å; N4-Q8 WeakPolarHBondContact O-CG 3.29Å; N4-Q8 PolarHBondContact O-N 3.45Å
5E97.2Very high95.6Very high109 Ų10972.3 Ų72.351%0.50935%0.352SS..Hα-helixtrans-61-41176.3-69.6179.2158.900111.9M1 D2 K3 Q8 K9M1-E5 HydrophobicContact CG-CB 3.77Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.26Å; D2-E5 HydrophobicContact CB-CB 4.49Å; D2-E5 HydrophobicContact CB-CG 4.17Å; D2-E5 PolarHBondContact N-OE2 2.91Å; D2-E5 PolarHBondContact O-N 3.39Å; K3-E5 PolarHBondContact O-N 3.21Å; E5-Q8 PolarHBondContact O-N 2.96Å; E5-K9 WeakPolarHBondContact O-CG 3.33Å; E5-K9 PolarHBondContact O-N 3.21Å
6L98Very high95.8Very high12 Ų1271.8 Ų71.86%0.06336%0.363CS..Hα-helixtrans-66.2-43.5177.1-71.9165.8000111.9M1 D2 K3 N4 K9 A10 V29M1-L6 HydrophobicContact CB-CD1 4.31Å; M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 3.99Å; M1-L6 HydrophobicContact CE-CD2 4.36Å; M1-L6 HydrophobicContact CG-CD2 4.18Å; M1-L6 HydrophobicContact CG-CG 4.01Å; M1-L6 HydrophobicContact SD-CD2 3.49Å; M1-L6 WeakPolarHBondContact SD-CD2 3.49Å; M1-L6 HydrophobicContact SD-CG 3.86Å; D2-L6 PolarHBondContact O-N 3.04Å; D2-L6 VanDerWaalsContact O-N 3.12Å; K3-L6 PolarHBondContact O-N 3.1Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 2.88Å; L6-K9 PolarHBondContact O-N 3.41Å; L6-A10 PolarHBondContact O-N 3.15Å; L6-V29 HydrophobicContact CB-CG2 3.44Å; L6-V29 VanDerWaalsContact CB-CG2 3.44Å; L6-V29 HydrophobicContact CD1-CG2 4.01Å; L6-V29 HydrophobicContact CG-CG2 4.37Å
7V98.3Very high95.9Very high8 Ų876 Ų765%0.04838%0.381CS..Hα-helixtrans-62.6-42.8176.3175.30000110.6K3 N4 K9 A10 K11 V29 E40 L43K3-V7 WeakPolarHBondContact O-CG2 3.39Å; K3-V7 PolarHBondContact O-N 3.43Å; N4-V7 PolarHBondContact O-N 3.5Å; V7-K9 VanDerWaalsContact C-N 3.34Å; V7-K9 PolarHBondContact O-N 3.19Å; V7-A10 WeakPolarHBondContact O-CB 3.47Å; V7-A10 PolarHBondContact O-N 3Å; V7-K11 WeakPolarHBondContact O-CG 3.26Å; V7-K11 PolarHBondContact O-N 2.75Å; V7-V29 HydrophobicContact CG2-CG1 4.42Å; V7-V29 HydrophobicContact CG2-CG2 3.98Å; V7-E40 HydrophobicContact CG2-CG 4.07Å; V7-L43 HydrophobicContact CG1-CD1 3.88Å
8Q98.1Very high96Very high111 Ų11179.8 Ų79.852%0.51939%0.39SS..Hα-helixtrans-63.4-39.7176.1-68.4-59.6-30.100112.1N4 E5 K11 L12N4-Q8 VanDerWaalsContact O-CG 3.27Å; N4-Q8 WeakPolarHBondContact O-CG 3.29Å; N4-Q8 PolarHBondContact O-N 3.45Å; E5-Q8 PolarHBondContact O-N 2.96Å; Q8-K11 PolarHBondContact O-N 3.46Å; Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.29Å
9K98.1Very high96.2Very high99 Ų9978.3 Ų78.343%0.4338%0.38SS..Hα-helixtrans-63.6-40172.8-75.5179.5-178.4-178.40112.5M1 E5 L6 V7 K11 L12 A13M1-K9 HydrophobicContact CE-CD 4.43Å; M1-K9 HydrophobicContact SD-CD 3.71Å; M1-K9 PolarHBondContact SD-NZ 3.19Å; E5-K9 WeakPolarHBondContact O-CG 3.33Å; E5-K9 PolarHBondContact O-N 3.21Å; L6-K9 PolarHBondContact O-N 3.41Å; V7-K9 VanDerWaalsContact C-N 3.34Å; V7-K9 PolarHBondContact O-N 3.19Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 2.86Å; K9-L12 PolarHBondContact O-N 2.93Å; K9-A13 WeakPolarHBondContact O-CB 3.38Å; K9-A13 PolarHBondContact O-N 3.4Å
10A98.5Very high96.3Very high0 Ų078.6 Ų78.60%038%0.384CS..Hα-helixtrans-61.2-42.8174.900000111.6L6 V7 A13 E14 M22 C25 M26L6-A10 PolarHBondContact O-N 3.15Å; V7-A10 WeakPolarHBondContact O-CB 3.47Å; V7-A10 PolarHBondContact O-N 3Å; A10-A13 WeakPolarHBondContact O-CB 3.46Å; A10-A13 PolarHBondContact O-N 2.7Å; A10-E14 PolarHBondContact O-N 2.75Å; A10-M22 HydrophobicContact CB-CG 4.03Å; A10-C25 HydrophobicContact CB-CB 3.97Å; A10-M26 HydrophobicContact CB-CG 3.84Å; A10-M26 HydrophobicContact CB-SD 3.65Å
11K98.4Very high96.4Very high42 Ų4277.7 Ų77.718%0.18338%0.381CS..Hα-helixtrans-63.9-39175.6-67.7-179.2-175.3-174.20112.8V7 Q8 K9 E14 Q15 E39 L43V7-K11 WeakPolarHBondContact O-CG 3.26Å; V7-K11 PolarHBondContact O-N 2.75Å; Q8-K11 PolarHBondContact O-N 3.46Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 2.86Å; K11-E14 PolarHBondContact O-N 3.35Å; K11-Q15 WeakPolarHBondContact O-CG 3.47Å; K11-Q15 PolarHBondContact O-N 2.97Å; K11-Q15 VanDerWaalsContact O-N 3.17Å; K11-E39 VanDerWaalsContact CE-OE1 3.23Å; K11-E39 WeakPolarHBondContact CE-OE1 3.33Å; K11-E39 IonicContact NZ-OE1 3.43Å; K11-E39 PolarHBondContact NZ-OE1 3.46Å; K11-E39 IonicContact NZ-OE2 3.78Å; K11-E39 PolarHBondContact NZ-OE2 3.44Å; K11-L43 HydrophobicContact CG-CD1 4.08Å; K11-L43 HydrophobicContact CG-CD2 4.14Å
12L98.5Very high97.6Very high112 Ų11271.5 Ų71.559%0.58635%0.35SS*.Hα-helixtrans-66-40.5173.4-70.9171.4000111.7Q8 K9 Q15 A16Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.29Å; K9-L12 PolarHBondContact O-N 2.93Å; L12-Q15 PolarHBondContact O-N 3.08Å; L12-A16 PolarHBondContact O-N 3.48Å; L12-A16 VanDerWaalsContact O-N 3.15Å
13A98.5Very high97.9Very high9 Ų967.8 Ų67.87%0.07433%0.331CS..Hα-helixtrans-65.1-39.3176.600000111.9K9 A10 A16 E17 R18 D21 M22K9-A13 WeakPolarHBondContact O-CB 3.38Å; K9-A13 PolarHBondContact O-N 3.4Å; A10-A13 WeakPolarHBondContact O-CB 3.46Å; A10-A13 PolarHBondContact O-N 2.7Å; A13-A16 CarbonylContact O-C 3.52Å; A13-A16 PolarHBondContact O-N 3.13Å; A13-E17 PolarHBondContact O-N 2.91Å; A13-R18 HydrophobicContact CB-CB 4.36Å; A13-R18 PolarHBondContact O-N 2.93Å; A13-D21 HydrophobicContact CB-CB 3.99Å; A13-M22 HydrophobicContact CB-CB 3.97Å
14E98.2Very high98.1Very high69 Ų6968.6 Ų68.632%0.32235%0.345SS..Hα-helixtrans-58.6-49.5173.4-177.8-179.8-149.200111.6A10 K11 A16 E17 M22 L43A10-E14 PolarHBondContact O-N 2.75Å; K11-E14 PolarHBondContact O-N 3.35Å; E14-A16 PolarHBondContact O-N 2.95Å; E14-E17 PolarHBondContact O-N 3.43Å; E14-M22 HydrophobicContact CB-CE 3.96Å; E14-M22 HydrophobicContact CB-SD 3.93Å; E14-M22 HydrophobicContact CG-CE 4.18Å; E14-M22 HydrophobicContact CG-SD 4.37Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.43Å
15Q97.8Very high98.2Very high156 Ų15664.5 Ų64.573%0.72933%0.325SS*.Hα-helixtrans-62.4-26.3177.7-70.2175.240.200113.3K11 L12K11-Q15 WeakPolarHBondContact O-CG 3.47Å; K11-Q15 PolarHBondContact O-N 2.97Å; K11-Q15 VanDerWaalsContact O-N 3.17Å; L12-Q15 PolarHBondContact O-N 3.08Å
16A98Very high98.2Very high63 Ų6359.3 Ų59.352%0.52130%0.301SS..THydrogen-bonded Turntrans-945.5175.900000113.2L12 A13 E14 R18L12-A16 PolarHBondContact O-N 3.48Å; L12-A16 VanDerWaalsContact O-N 3.15Å; A13-A16 CarbonylContact O-C 3.52Å; A13-A16 PolarHBondContact O-N 3.13Å; E14-A16 PolarHBondContact O-N 2.95Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 PolarHBondContact O-N 3.41Å; A16-R18 VanDerWaalsContact O-N 3.1Å
17E97.7Very high98.3Very high144 Ų14461.1 Ų61.167%0.67331%0.308SS*.THydrogen-bonded Turntrans53.527-175.4-56.3-173.2153.700113.8A13 E14 Y19A13-E17 PolarHBondContact O-N 2.91Å; E14-E17 PolarHBondContact O-N 3.43Å; E17-Y19 VanDerWaalsContact C-N 3.34Å; E17-Y19 HydrophobicContact CB-CE2 3.91Å; E17-Y19 VanDerWaalsContact O-CD2 3.32Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 2.86Å
18R98.3Very high98.3Very high144 Ų14463.2 Ų63.254%0.54332%0.323SS..  trans-9167.9177.4-65.8-16064.2-174.2-13.5110.6A13 A16 D20 D21 M22A13-R18 HydrophobicContact CB-CB 4.36Å; A13-R18 PolarHBondContact O-N 2.93Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 PolarHBondContact O-N 3.41Å; A16-R18 VanDerWaalsContact O-N 3.1Å; R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.13Å; R18-D21 HydrophobicContact CB-CB 4.19Å; R18-D21 IonicContact CZ-OD1 3.43Å; R18-D21 IonicContact CZ-OD2 2.95Å; R18-D21 IonicContact NE-OD1 2.71Å; R18-D21 IonicContact NE-OD2 3.15Å; R18-D21 PolarHBondContact NE-OD2 3.4Å; R18-D21 IonicContact NH1-OD2 2.64Å; R18-D21 PolarHBondContact NH1-OD2 2.72Å; R18-D21 VanDerWaalsContact NH2-CG 3.3Å; R18-D21 IonicContact NH2-OD1 2.7Å; R18-D21 PolarHBondContact NH2-OD1 3.34Å; R18-D21 IonicContact NH2-OD2 3.72Å; R18-D21 PolarHBondContact NH2-OD2 3.43Å; R18-D21 WeakPolarHBondContact O-CB 3.37Å; R18-D21 PolarHBondContact O-N 3.04Å; R18-D21 VanDerWaalsContact O-N 3.09Å; R18-M22 PolarHBondContact O-N 3.02Å
19Y98.4Very high98.3Very high51 Ų5158 Ų5820%0.230%0.299CS..Hα-helixtrans-65.1-27.3-172.4-57.5-71.2000114.4E17 M22 A23 V46 N50 V51E17-Y19 VanDerWaalsContact C-N 3.34Å; E17-Y19 HydrophobicContact CB-CE2 3.91Å; E17-Y19 VanDerWaalsContact O-CD2 3.32Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 2.86Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.27Å; Y19-M22 PolarHBondContact O-N 3.43Å; Y19-A23 WeakPolarHBondContact O-CB 3.45Å; Y19-A23 PolarHBondContact O-N 3.45Å; Y19-V46 HydrophobicContact CE1-CG1 4.29Å; Y19-N50 HydrophobicContact CD1-CB 3.57Å; Y19-N50 HydrophobicContact CD2-CB 3.44Å; Y19-N50 VanDerWaalsContact CD2-CB 3.44Å; Y19-N50 HydrophobicContact CE1-CB 3.91Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.19Å; Y19-N50 HydrophobicContact CE2-CB 3.79Å; Y19-N50 HydrophobicContact CG-CB 3.31Å; Y19-V51 VanDerWaalsContact C-CG2 3.42Å; Y19-V51 WeakPolarHBondContact O-CG2 3.4Å
20D98.1Very high98.3Very high84 Ų8453.4 Ų53.445%0.44928%0.279SS..Hα-helixtrans-64.7-41.7172.5-62.9-79.6000111.3R18 A23 A24 R55R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.13Å; D20-A23 PolarHBondContact O-N 3.43Å; D20-A24 PolarHBondContact O-N 2.85Å; D20-R55 IonicContact OD1-CZ 3.86Å; D20-R55 IonicContact OD1-NH1 2.72Å; D20-R55 PolarHBondContact OD1-NH1 3.38Å; D20-R55 IonicContact OD1-NH2 3.12Å; D20-R55 IonicContact OD2-NH1 2.83Å
21D98.3Very high98.3Very high60 Ų6057.9 Ų57.932%0.32130%0.3SS..Hα-helixtrans-66.7-40.1175.2-63.65.4000110.7A13 R18 A24 C25A13-D21 HydrophobicContact CB-CB 3.99Å; R18-D21 HydrophobicContact CB-CB 4.19Å; R18-D21 IonicContact CZ-OD1 3.43Å; R18-D21 IonicContact CZ-OD2 2.95Å; R18-D21 IonicContact NE-OD1 2.71Å; R18-D21 IonicContact NE-OD2 3.15Å; R18-D21 PolarHBondContact NE-OD2 3.4Å; R18-D21 IonicContact NH1-OD2 2.64Å; R18-D21 PolarHBondContact NH1-OD2 2.72Å; R18-D21 VanDerWaalsContact NH2-CG 3.3Å; R18-D21 IonicContact NH2-OD1 2.7Å; R18-D21 PolarHBondContact NH2-OD1 3.34Å; R18-D21 IonicContact NH2-OD2 3.72Å; R18-D21 PolarHBondContact NH2-OD2 3.43Å; R18-D21 WeakPolarHBondContact O-CB 3.37Å; R18-D21 PolarHBondContact O-N 3.04Å; R18-D21 VanDerWaalsContact O-N 3.09Å; D21-A24 PolarHBondContact O-N 3.17Å; D21-C25 PolarHBondContact O-N 3.44Å; D21-C25 PolarHBondContact O-SG 3.15Å
22M98.3Very high98.2Very high0 Ų060.3 Ų60.30%031%0.312CS..Hα-helixtrans-60.2-45.6175.4-166-169.7-179.400110.9A10 A13 E14 R18 Y19 C25 M26 L43 V46 A47A10-M22 HydrophobicContact CB-CG 4.03Å; A13-M22 HydrophobicContact CB-CB 3.97Å; E14-M22 HydrophobicContact CB-CE 3.96Å; E14-M22 HydrophobicContact CB-SD 3.93Å; E14-M22 HydrophobicContact CG-CE 4.18Å; E14-M22 HydrophobicContact CG-SD 4.37Å; R18-M22 PolarHBondContact O-N 3.02Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.27Å; Y19-M22 PolarHBondContact O-N 3.43Å; M22-C25 PolarHBondContact O-N 2.71Å; M22-M26 WeakPolarHBondContact O-CB 3.42Å; M22-M26 WeakPolarHBondContact O-CG 3.4Å; M22-M26 PolarHBondContact O-N 3.29Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.45Å; M22-L43 VanDerWaalsContact CE-CD2 3.45Å; M22-L43 HydrophobicContact CE-CG 4.29Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M22-V46 HydrophobicContact CE-CB 4.15Å; M22-V46 HydrophobicContact CE-CG1 4.1Å; M22-V46 HydrophobicContact SD-CG1 4.31Å; M22-A47 HydrophobicContact CB-CB 3.87Å; M22-A47 HydrophobicContact CE-CB 4.26Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å
23A98.5Very high98Very high7 Ų756.4 Ų56.46%0.05830%0.298CS..Hα-helixtrans-64.2-42.9178.200000111.4Y19 D20 C25 M26 K27 A47 Y48 V51Y19-A23 WeakPolarHBondContact O-CB 3.45Å; Y19-A23 PolarHBondContact O-N 3.45Å; D20-A23 PolarHBondContact O-N 3.43Å; A23-C25 PolarHBondContact O-N 3.4Å; A23-M26 PolarHBondContact O-N 2.86Å; A23-K27 WeakPolarHBondContact O-CB 3.27Å; A23-K27 PolarHBondContact O-N 3Å; A23-A47 HydrophobicContact CB-CB 4.14Å; A23-Y48 HydrophobicContact CB-CD1 4.17Å; A23-Y48 HydrophobicContact CB-CD2 4.34Å; A23-Y48 HydrophobicContact CB-CE1 4.02Å; A23-Y48 HydrophobicContact CB-CE2 4.16Å; A23-Y48 HydrophobicContact CB-CG 4.35Å; A23-V51 HydrophobicContact CB-CG2 4.3Å
24A98.3Very high97.9Very high56 Ų5658.5 Ų58.546%0.46332%0.316SS..Hα-helixtrans-61.9-42176.400000112.6D20 D21 S28D20-A24 PolarHBondContact O-N 2.85Å; D21-A24 PolarHBondContact O-N 3.17Å; A24-S28 PolarHBondContact O-N 3.05Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 2.7Å
25C98.5Very high97.8Very high19 Ų1958.7 Ų58.713%0.12832%0.317CS..Hα-helixtrans-64.3-48.9175.2-66.80000111.3A10 D21 M22 A23 K27 S28 V29A10-C25 HydrophobicContact CB-CB 3.97Å; D21-C25 PolarHBondContact O-N 3.44Å; D21-C25 PolarHBondContact O-SG 3.15Å; M22-C25 PolarHBondContact O-N 2.71Å; A23-C25 PolarHBondContact O-N 3.4Å; C25-K27 PolarHBondContact O-N 3.09Å; C25-S28 WeakPolarHBondContact O-CB 3.19Å; C25-S28 PolarHBondContact O-N 2.96Å; C25-V29 WeakPolarHBondContact O-CG2 3.38Å; C25-V29 PolarHBondContact O-N 2.87Å
26M98.6Very high97.9Very high0 Ų051.6 Ų51.60%028%0.284CS..Hα-helixtrans-71.9-28.9-177.3-67-51.7-54.100113.3A10 M22 A23 V29 T30 E40 L43 L44A10-M26 HydrophobicContact CB-CG 3.84Å; A10-M26 HydrophobicContact CB-SD 3.65Å; M22-M26 WeakPolarHBondContact O-CB 3.42Å; M22-M26 WeakPolarHBondContact O-CG 3.4Å; M22-M26 PolarHBondContact O-N 3.29Å; A23-M26 PolarHBondContact O-N 2.86Å; M26-V29 HydrophobicContact CE-CB 4.25Å; M26-V29 HydrophobicContact CE-CG1 4.19Å; M26-V29 PolarHBondContact O-N 3.36Å; M26-V29 HydrophobicContact SD-CG2 4.41Å; M26-T30 WeakPolarHBondContact O-CB 3.33Å; M26-T30 PolarHBondContact O-N 3.07Å; M26-T30 PolarHBondContact O-OG1 3.02Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.47Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.24Å; M26-L43 HydrophobicContact SD-CB 3.98Å; M26-L43 HydrophobicContact SD-CD1 4.41Å; M26-L44 HydrophobicContact CB-CB 4.21Å; M26-L44 HydrophobicContact CB-CD1 3.62Å; M26-L44 HydrophobicContact CE-CB 4.3Å
27K98.5Very high97.8Very high49 Ų4951 Ų5121%0.21328%0.276CS..Hα-helixtrans-58.4-50.8166.5-177.8172.5-166.1175.20110.3A23 C25 V29 T30 E31 D96 L100A23-K27 WeakPolarHBondContact O-CB 3.27Å; A23-K27 PolarHBondContact O-N 3Å; C25-K27 PolarHBondContact O-N 3.09Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.39Å; K27-T30 PolarHBondContact O-N 3.46Å; K27-T30 VanDerWaalsContact O-N 3.1Å; K27-E31 VanDerWaalsContact CE-OE1 3.32Å; K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.3Å; K27-D96 IonicContact NZ-OD1 2.7Å; K27-D96 PolarHBondContact NZ-OD1 3.19Å; K27-D96 IonicContact NZ-OD2 2.93Å; K27-D96 PolarHBondContact NZ-OD2 2.83Å; K27-L100 HydrophobicContact CB-CD1 4.23Å; K27-L100 HydrophobicContact CG-CD1 4.06Å; K27-L100 HydrophobicContact CG-CD2 4.12Å
28S98.3Very high97.7Very high53 Ų5348.1 Ų48.137%0.37127%0.265SS..Hα-helixtrans-62.4-32.2178.5-57.60000113A24 C25 Q32A24-S28 PolarHBondContact O-N 3.05Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 2.7Å; C25-S28 WeakPolarHBondContact O-CB 3.19Å; C25-S28 PolarHBondContact O-N 2.96Å; S28-Q32 WeakPolarHBondContact O-CG 3.4Å
29V98.4Very high97.6Very high2 Ų246.4 Ų46.41%0.01226%0.263CS..Hα-helixtrans-68.7-46.5172.6169.80000110.9K3 L6 V7 C25 M26 K27 E31 Q32 L36K3-V29 HydrophobicContact CD-CG1 4.41Å; K3-V29 HydrophobicContact CG-CG1 4Å; K3-V29 HydrophobicContact CG-CG2 4.48Å; L6-V29 HydrophobicContact CB-CG2 3.44Å; L6-V29 VanDerWaalsContact CB-CG2 3.44Å; L6-V29 HydrophobicContact CD1-CG2 4.01Å; L6-V29 HydrophobicContact CG-CG2 4.37Å; V7-V29 HydrophobicContact CG2-CG1 4.42Å; V7-V29 HydrophobicContact CG2-CG2 3.98Å; C25-V29 WeakPolarHBondContact O-CG2 3.38Å; C25-V29 PolarHBondContact O-N 2.87Å; M26-V29 HydrophobicContact CE-CB 4.25Å; M26-V29 HydrophobicContact CE-CG1 4.19Å; M26-V29 PolarHBondContact O-N 3.36Å; M26-V29 HydrophobicContact SD-CG2 4.41Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.39Å; V29-E31 PolarHBondContact O-N 3.48Å; V29-Q32 WeakPolarHBondContact O-CB 3.48Å; V29-Q32 PolarHBondContact O-N 3.45Å; V29-L36 HydrophobicContact CG1-CD2 3.79Å
30T98.4Very high97.6Very high2 Ų244.9 Ų44.91%0.01226%0.258CS..Hα-helixtrans-64.8-40.1-177.4-57.60000111.9M26 K27 Q32 G33 L100 F104 L105M26-T30 WeakPolarHBondContact O-CB 3.33Å; M26-T30 PolarHBondContact O-N 3.07Å; M26-T30 PolarHBondContact O-OG1 3.02Å; K27-T30 PolarHBondContact O-N 3.46Å; K27-T30 VanDerWaalsContact O-N 3.1Å; T30-Q32 PolarHBondContact O-N 3.03Å; T30-Q32 VanDerWaalsContact O-N 3.16Å; T30-G33 PolarHBondContact O-N 2.97Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.94Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; T30-F104 HydrophobicContact CG2-CB 3.8Å; T30-F104 HydrophobicContact CG2-CD2 4.49Å; T30-F104 HydrophobicContact CG2-CG 4.38Å; T30-L105 HydrophobicContact CG2-CD1 4.1Å; T30-L105 HydrophobicContact CG2-CD2 3.57Å; T30-L105 HydrophobicContact CG2-CG 3.71Å
31E98Very high97.6Very high93 Ų9341.4 Ų41.444%0.43524%0.238SC..THydrogen-bonded Turntrans-69.2-8.1179.9-70.5175.6161.900113.7K27 V29 G33 L100 F104K27-E31 VanDerWaalsContact CE-OE1 3.32Å; K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.3Å; V29-E31 PolarHBondContact O-N 3.48Å; E31-G33 PolarHBondContact O-N 3.22Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; E31-F104 HydrophobicContact CB-CE2 4.46Å; E31-F104 HydrophobicContact CB-CZ 4.24Å; E31-F104 HydrophobicContact CG-CD2 4.46Å; E31-F104 HydrophobicContact CG-CE2 3.84Å; E31-F104 HydrophobicContact CG-CZ 4.06Å
32Q96.7Very high97.5Very high94 Ų9442 Ų4244%0.43924%0.242SC..THydrogen-bonded Turntrans-71.6-13.4168.8-61.3179.225.600112.6S28 V29 T30 A34S28-Q32 WeakPolarHBondContact O-CG 3.4Å; V29-Q32 WeakPolarHBondContact O-CB 3.48Å; V29-Q32 PolarHBondContact O-N 3.45Å; T30-Q32 PolarHBondContact O-N 3.03Å; T30-Q32 VanDerWaalsContact O-N 3.16Å; Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 2.66Å
33G95.1Very high97.5Very high29 Ų2942.4 Ų42.430%0.29924%0.244SC..  trans80.10.5170.100000116.1T30 E31 N108T30-G33 PolarHBondContact O-N 2.97Å; E31-G33 PolarHBondContact O-N 3.22Å; G33-N108 PolarHBondContact O-ND2 3.46Å; G33-N108 VanDerWaalsContact O-ND2 3.12Å
34A95.3Very high97.5Very high54 Ų5442.2 Ų42.245%0.44624%0.242SC..SBendtrans-78.6146.4170.400000110.9Q32 L36Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 2.66Å; A34-L36 PolarHBondContact O-N 3.37Å
35E97.4Very high97.5Very high73 Ų7341 Ų4134%0.34123%0.23SC..PPolyproline II helixtrans-57.8134.1171.5-173170.7-161.900110.1A109 S110E35-A109 WeakPolarHBondContact OE1-CA 3.38Å; E35-S110 VanDerWaalsContact CD-OG 3.26Å; E35-S110 PolarHBondContact OE1-N 2.95Å; E35-S110 PolarHBondContact OE1-OG 3.33Å; E35-S110 VanDerWaalsContact OE1-OG 3.05Å; E35-S110 VanDerWaalsContact OE2-CB 3.32Å; E35-S110 WeakPolarHBondContact OE2-CB 3.49Å; E35-S110 PolarHBondContact OE2-OG 3.29Å
36L98Very high97.5Very high6 Ų642.4 Ų42.43%0.03124%0.238CC..PPolyproline II helixtrans-77.9141.5178.8-60.6-171.1000110.5V29 A34 E40 R41 L44 L105V29-L36 HydrophobicContact CG1-CD2 3.79Å; A34-L36 PolarHBondContact O-N 3.37Å; L36-E40 WeakPolarHBondContact CA-OE2 3.5Å; L36-E40 HydrophobicContact CB-CB 3.94Å; L36-E40 HydrophobicContact CD1-CB 4.48Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; L36-E40 HydrophobicContact CG-CB 4.44Å; L36-R41 HydrophobicContact CB-CB 4.41Å; L36-L44 HydrophobicContact CD1-CD2 4.1Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.87Å
37S97.1Very high97.5Very high51 Ų5142.4 Ų42.436%0.35724%0.238SC..PPolyproline II helixtrans-66.6165.2165.975.40000111E39 E40 R41S37-E39 PolarHBondContact O-N 3.25Å; S37-E40 PolarHBondContact N-OE2 3.3Å; S37-E40 PolarHBondContact O-N 2.99Å; S37-E40 WeakPolarHBondContact OG-CG 3.37Å; S37-E40 PolarHBondContact OG-N 2.99Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 3.05Å
38N95.1Very high97.5Very high84 Ų8440.5 Ų40.545%0.44923%0.229SC..Hα-helixtrans-57.2-38.1175.9-73.6-4.5000112.3N42N38-N42 WeakPolarHBondContact O-CB 3.37Å; N38-N42 PolarHBondContact O-N 3.33Å; N38-N42 PolarHBondContact O-ND2 2.82Å; N38-N42 PolarHBondContact O-OD1 2.86Å
39E96.6Very high97.5Very high107 Ų10744.6 Ų44.650%0.524%0.241SC..Hα-helixtrans-65.3-47.9176.4-173.7-179.2-146.600111.2K11 S37 R41 N42 L43K11-E39 VanDerWaalsContact CE-OE1 3.23Å; K11-E39 WeakPolarHBondContact CE-OE1 3.33Å; K11-E39 IonicContact NZ-OE1 3.43Å; K11-E39 PolarHBondContact NZ-OE1 3.46Å; K11-E39 IonicContact NZ-OE2 3.78Å; K11-E39 PolarHBondContact NZ-OE2 3.44Å; S37-E39 PolarHBondContact O-N 3.25Å; E39-R41 PolarHBondContact O-N 3.46Å; E39-N42 PolarHBondContact O-N 2.97Å; E39-L43 HydrophobicContact CG-CD1 4.35Å; E39-L43 WeakPolarHBondContact O-CG 3.38Å; E39-L43 PolarHBondContact O-N 3.01Å
40E98.1Very high97.5Very high20 Ų2047.3 Ų47.39%0.09326%0.255CS..Hα-helixtrans-64.5-41.9180-69.2164.7170.500112K3 V7 M26 L36 S37 N42 L43 L44K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 VanDerWaalsContact CE-OE2 3.29Å; K3-E40 WeakPolarHBondContact CE-OE2 3.28Å; K3-E40 IonicContact NZ-OE1 3.8Å; K3-E40 PolarHBondContact NZ-OE1 3.24Å; K3-E40 IonicContact NZ-OE2 3.36Å; K3-E40 PolarHBondContact NZ-OE2 3.39Å; V7-E40 HydrophobicContact CG2-CG 4.07Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.47Å; L36-E40 WeakPolarHBondContact CA-OE2 3.5Å; L36-E40 HydrophobicContact CB-CB 3.94Å; L36-E40 HydrophobicContact CD1-CB 4.48Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; L36-E40 HydrophobicContact CG-CB 4.44Å; S37-E40 PolarHBondContact N-OE2 3.3Å; S37-E40 PolarHBondContact O-N 2.99Å; S37-E40 WeakPolarHBondContact OG-CG 3.37Å; S37-E40 PolarHBondContact OG-N 2.99Å; E40-N42 VanDerWaalsContact C-N 3.32Å; E40-N42 PolarHBondContact O-N 3.17Å; E40-L43 PolarHBondContact O-N 2.81Å; E40-L44 PolarHBondContact O-N 2.9Å
41R97.9Very high97.5Very high10 Ų1047.5 Ų47.54%0.03826%0.256CS..Hα-helixtrans-57.9-45.6173.2178.1-170.276.5-171.51.5111.4L36 S37 E39 L44 S45 E113 F117 Y118L36-R41 HydrophobicContact CB-CB 4.41Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 3.05Å; E39-R41 PolarHBondContact O-N 3.46Å; R41-L44 PolarHBondContact O-N 3Å; R41-S45 PolarHBondContact O-N 3.27Å; R41-E113 IonicContact CZ-OE1 2.93Å; R41-E113 VanDerWaalsContact CZ-OE1 3.32Å; R41-E113 IonicContact NH1-OE1 2.89Å; R41-E113 PolarHBondContact NH1-OE1 2.98Å; R41-E113 IonicContact NH2-OE1 3.01Å; R41-E113 PolarHBondContact NH2-OE1 3.24Å; R41-F117 VanDerWaalsContact CD-CD1 3.48Å; R41-F117 HydrophobicContact CG-CD1 3.6Å; R41-F117 HydrophobicContact CG-CE1 3.44Å; R41-F117 VanDerWaalsContact CG-CE1 3.44Å; R41-F117 HydrophobicContact CG-CE2 4.47Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.92Å; R41-Y118 HydrophobicContact CG-CE1 3.68Å
42N96.8Very high97.5Very high73 Ų7343.1 Ų43.139%0.3924%0.236SC..Hα-helixtrans-66.5-41.7179.5-70.9-9.6000111.2N38 E39 E40 L44 S45 V46N38-N42 WeakPolarHBondContact O-CB 3.37Å; N38-N42 PolarHBondContact O-N 3.33Å; N38-N42 PolarHBondContact O-ND2 2.82Å; N38-N42 PolarHBondContact O-OD1 2.86Å; E39-N42 PolarHBondContact O-N 2.97Å; E40-N42 VanDerWaalsContact C-N 3.32Å; E40-N42 PolarHBondContact O-N 3.17Å; N42-L44 PolarHBondContact O-N 3.18Å; N42-S45 WeakPolarHBondContact O-CB 3.13Å; N42-S45 PolarHBondContact O-N 3.04Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.97Å
43L98.4Very high97.6Very high9 Ų939.7 Ų39.75%0.04723%0.226CC..Hα-helixtrans-58.8-47.5174.1-72.1169.4000111.6V7 K11 E14 M22 M26 E39 E40 S45 V46 A47V7-L43 HydrophobicContact CG1-CD1 3.88Å; K11-L43 HydrophobicContact CG-CD1 4.08Å; K11-L43 HydrophobicContact CG-CD2 4.14Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.43Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.45Å; M22-L43 VanDerWaalsContact CE-CD2 3.45Å; M22-L43 HydrophobicContact CE-CG 4.29Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.24Å; M26-L43 HydrophobicContact SD-CB 3.98Å; M26-L43 HydrophobicContact SD-CD1 4.41Å; E39-L43 HydrophobicContact CG-CD1 4.35Å; E39-L43 WeakPolarHBondContact O-CG 3.38Å; E39-L43 PolarHBondContact O-N 3.01Å; E40-L43 PolarHBondContact O-N 2.81Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.01Å; L43-V46 PolarHBondContact O-N 3.48Å; L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 2.9Å
44L98.6Very high97.7Very high3 Ų340.8 Ų40.82%0.01623%0.232CC..Hα-helixtrans-57.3-44.8176179.973.8000111.3M26 L36 E40 R41 N42 A47 Y48 L100 L105M26-L44 HydrophobicContact CB-CB 4.21Å; M26-L44 HydrophobicContact CB-CD1 3.62Å; M26-L44 HydrophobicContact CE-CB 4.3Å; L36-L44 HydrophobicContact CD1-CD2 4.1Å; E40-L44 PolarHBondContact O-N 2.9Å; R41-L44 PolarHBondContact O-N 3Å; N42-L44 PolarHBondContact O-N 3.18Å; L44-A47 PolarHBondContact O-N 3.15Å; L44-Y48 HydrophobicContact CD1-CD2 3.63Å; L44-Y48 HydrophobicContact CD1-CE2 3.53Å; L44-Y48 HydrophobicContact CG-CD2 4.2Å; L44-Y48 PolarHBondContact O-N 3.08Å; L44-Y48 VanDerWaalsContact O-N 3.15Å; L44-L100 HydrophobicContact CD1-CD1 4.4Å; L44-L105 HydrophobicContact CD2-CD1 3.5Å; L44-L105 HydrophobicContact CD2-CD2 4.34Å
45S98.3Very high97.9Very high31 Ų3141 Ų4122%0.21722%0.221CC..Hα-helixtrans-63.9-47.8179.4-171.20000112.3R41 N42 L43 A47 K49R41-S45 PolarHBondContact O-N 3.27Å; N42-S45 WeakPolarHBondContact O-CB 3.13Å; N42-S45 PolarHBondContact O-N 3.04Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.01Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.68Å; S45-K49 WeakPolarHBondContact O-CB 3.31Å; S45-K49 PolarHBondContact O-N 3.36Å
46V98.3Very high97.9Very high48 Ų4839 Ų3929%0.29121%0.21SC..Hα-helixtrans-60.4-44.5177.8169.30000111Y19 M22 N42 L43 N50Y19-V46 HydrophobicContact CE1-CG1 4.29Å; M22-V46 HydrophobicContact CE-CB 4.15Å; M22-V46 HydrophobicContact CE-CG1 4.1Å; M22-V46 HydrophobicContact SD-CG1 4.31Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.97Å; L43-V46 PolarHBondContact O-N 3.48Å; V46-N50 PolarHBondContact O-N 2.93Å; V46-N50 VanDerWaalsContact O-N 3.14Å; V46-N50 PolarHBondContact O-ND2 3.16Å
47A98.6Very high97.9Very high0 Ų042 Ų420%023%0.232CC..Hα-helixtrans-55.9-60.7178.700000111.2M22 A23 L43 L44 S45 K49 N50 V51M22-A47 HydrophobicContact CB-CB 3.87Å; M22-A47 HydrophobicContact CE-CB 4.26Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å; A23-A47 HydrophobicContact CB-CB 4.14Å; L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 2.9Å; L44-A47 PolarHBondContact O-N 3.15Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.68Å; A47-K49 PolarHBondContact O-N 2.87Å; A47-N50 PolarHBondContact O-N 3.28Å; A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 2.97Å; A47-V51 VanDerWaalsContact O-N 3.1Å
48Y98.7Very high98Very high8 Ų842.3 Ų42.33%0.03123%0.234CC..Hα-helixtrans-72.5-28.7-174.5-81.3-74.4000113.1A23 L44 V52 I93 V97 L100 Y125A23-Y48 HydrophobicContact CB-CD1 4.17Å; A23-Y48 HydrophobicContact CB-CD2 4.34Å; A23-Y48 HydrophobicContact CB-CE1 4.02Å; A23-Y48 HydrophobicContact CB-CE2 4.16Å; A23-Y48 HydrophobicContact CB-CG 4.35Å; L44-Y48 HydrophobicContact CD1-CD2 3.63Å; L44-Y48 HydrophobicContact CD1-CE2 3.53Å; L44-Y48 HydrophobicContact CG-CD2 4.2Å; L44-Y48 PolarHBondContact O-N 3.08Å; L44-Y48 VanDerWaalsContact O-N 3.15Å; Y48-V52 WeakPolarHBondContact O-CB 3.43Å; Y48-V52 VanDerWaalsContact O-CG1 3.23Å; Y48-V52 WeakPolarHBondContact O-CG1 3.33Å; Y48-V52 PolarHBondContact O-N 2.82Å; Y48-I93 HydrophobicContact CD1-CG2 4.16Å; Y48-V97 HydrophobicContact CD1-CG2 3.14Å; Y48-V97 HydrophobicContact CD2-CG2 3.82Å; Y48-V97 HydrophobicContact CE1-CG2 3.44Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.44Å; Y48-V97 HydrophobicContact CE2-CG2 4.08Å; Y48-V97 HydrophobicContact CG-CG2 3.33Å; Y48-L100 HydrophobicContact CE2-CD1 3.91Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.38Å; Y48-Y125 PolarHBondContact O-OH 3.36Å; Y48-Y125 VanDerWaalsContact O-OH 3.05Å
49K98Very high98.1Very high140 Ų14040 Ų4061%0.60922%0.219SC*.Hα-helixtrans-61.9-43.7173.8179.3-176176-173.70111.1S45 A47 G53 Y125S45-K49 WeakPolarHBondContact O-CB 3.31Å; S45-K49 PolarHBondContact O-N 3.36Å; A47-K49 PolarHBondContact O-N 2.87Å; K49-G53 WeakPolarHBondContact O-CA 3.35Å; K49-G53 PolarHBondContact O-N 3.16Å; K49-Y125 PolarHBondContact N-OH 3.25Å
50N98.3Very high98.2Very high58 Ų5839.5 Ų39.531%0.3121%0.213SC..Hα-helixtrans-71.7-42.8179.1-79.2-72.7000112Y19 V46 A47 G53 A54Y19-N50 HydrophobicContact CD1-CB 3.57Å; Y19-N50 HydrophobicContact CD2-CB 3.44Å; Y19-N50 VanDerWaalsContact CD2-CB 3.44Å; Y19-N50 HydrophobicContact CE1-CB 3.91Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.19Å; Y19-N50 HydrophobicContact CE2-CB 3.79Å; Y19-N50 HydrophobicContact CG-CB 3.31Å; V46-N50 PolarHBondContact O-N 2.93Å; V46-N50 VanDerWaalsContact O-N 3.14Å; V46-N50 PolarHBondContact O-ND2 3.16Å; A47-N50 PolarHBondContact O-N 3.28Å; N50-G53 PolarHBondContact O-N 3.45Å; N50-A54 PolarHBondContact O-N 3.23Å
51V98.4Very high98.2Very high6 Ų642.8 Ų42.84%0.03623%0.234CC..Hα-helixtrans-59.3-50.2177.3173.80000111.3Y19 A23 A47 R55 I93Y19-V51 VanDerWaalsContact C-CG2 3.42Å; Y19-V51 WeakPolarHBondContact O-CG2 3.4Å; A23-V51 HydrophobicContact CB-CG2 4.3Å; A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 2.97Å; A47-V51 VanDerWaalsContact O-N 3.1Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.36Å; V51-I93 HydrophobicContact CG1-CD1 3.62Å; V51-I93 HydrophobicContact CG1-CG1 3.92Å; V51-I93 HydrophobicContact CG1-CG2 4.03Å
52V98.4Very high98.2Very high1 Ų142.9 Ų42.91%0.00624%0.236CC..Hα-helixtrans-70-37.1178.877.60000111.8Y48 A54 R55 R56 L90 I93 Y125 Y128Y48-V52 WeakPolarHBondContact O-CB 3.43Å; Y48-V52 VanDerWaalsContact O-CG1 3.23Å; Y48-V52 WeakPolarHBondContact O-CG1 3.33Å; Y48-V52 PolarHBondContact O-N 2.82Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.4Å; V52-R55 PolarHBondContact O-N 3.49Å; V52-R56 HydrophobicContact CG2-CG 4.4Å; V52-R56 WeakPolarHBondContact O-CG 3.44Å; V52-R56 PolarHBondContact O-N 3.13Å; V52-L90 HydrophobicContact CG2-CG 4.36Å; V52-I93 HydrophobicContact CB-CG2 4.11Å; V52-I93 HydrophobicContact CG2-CG2 4.43Å; V52-Y125 HydrophobicContact CB-CE1 4.09Å; V52-Y125 HydrophobicContact CG1-CE1 3.99Å; V52-Y125 HydrophobicContact CG2-CE1 4.26Å; V52-Y128 HydrophobicContact CG1-CD2 4.01Å; V52-Y128 HydrophobicContact CG1-CE2 3.84Å; V52-Y128 HydrophobicContact CG2-CD2 3.91Å; V52-Y128 HydrophobicContact CG2-CG 4.44Å
53G98Very high98.2Very high23 Ų2340.2 Ų40.224%0.23722%0.223CC..Hα-helixtrans-59.3-43.9177.900000112.4K49 N50 R55 R56 S57K49-G53 WeakPolarHBondContact O-CA 3.35Å; K49-G53 PolarHBondContact O-N 3.16Å; N50-G53 PolarHBondContact O-N 3.45Å; G53-R55 PolarHBondContact O-N 3.28Å; G53-R56 PolarHBondContact O-N 2.89Å; G53-S57 PolarHBondContact O-N 3.43Å; G53-S57 PolarHBondContact O-OG 3.45Å
54A98.2Very high98.2Very high51 Ų5141.7 Ų41.742%0.42123%0.233SC..Hα-helixtrans-60.6-4517600000112.1N50 V52 S57 S58N50-A54 PolarHBondContact O-N 3.23Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.4Å; A54-S57 PolarHBondContact O-N 3.2Å; A54-S58 PolarHBondContact O-N 3.39Å; A54-S58 PolarHBondContact O-OG 3.26Å; A54-S58 VanDerWaalsContact O-OG 3.14Å
55R98.4Very high98.1Very high60 Ų6045.5 Ų45.523%0.22625%0.253CS..Hα-helixtrans-66.4-41.1178.2-87.766.3-178.2-165.1-3.4111.8D20 V51 V52 G53 S57 S58 W59 I86 E89 L90 I93D20-R55 IonicContact OD1-CZ 3.86Å; D20-R55 IonicContact OD1-NH1 2.72Å; D20-R55 PolarHBondContact OD1-NH1 3.38Å; D20-R55 IonicContact OD1-NH2 3.12Å; D20-R55 IonicContact OD2-NH1 2.83Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.36Å; V52-R55 PolarHBondContact O-N 3.49Å; G53-R55 PolarHBondContact O-N 3.28Å; R55-S57 PolarHBondContact O-N 3.23Å; R55-S58 PolarHBondContact O-N 3.5Å; R55-W59 WeakPolarHBondContact O-CB 3.49Å; R55-W59 PolarHBondContact O-N 2.94Å; R55-I86 HydrophobicContact CB-CG2 4.33Å; R55-I86 HydrophobicContact CG-CG2 4.49Å; R55-I86 WeakPolarHBondContact O-CG2 3.29Å; R55-E89 HydrophobicContact CG-CB 4.19Å; R55-E89 IonicContact NE-OE2 3.7Å; R55-E89 PolarHBondContact NE-OE2 2.92Å; R55-L90 HydrophobicContact CB-CB 4.39Å; R55-I93 HydrophobicContact CG-CD1 3.93Å
56R98Very high98.1Very high30 Ų3045 Ų4511%0.11325%0.248CC..Hα-helixtrans-61.2-43.8175.5-73178.374.4-130.610.9112.3V52 G53 W59 R60 L90 Y128 E131V52-R56 HydrophobicContact CG2-CG 4.4Å; V52-R56 WeakPolarHBondContact O-CG 3.44Å; V52-R56 PolarHBondContact O-N 3.13Å; G53-R56 PolarHBondContact O-N 2.89Å; R56-W59 PolarHBondContact O-N 2.87Å; R56-R60 VanDerWaalsContact CZ-NH2 3.32Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.28Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.48Å; R56-L90 VanDerWaalsContact CG-CD1 3.48Å; R56-Y128 VanDerWaalsContact NE-CD1 3.31Å; R56-E131 IonicContact CZ-OE2 2.86Å; R56-E131 IonicContact NE-OE2 3.52Å; R56-E131 PolarHBondContact NE-OE2 3.3Å; R56-E131 IonicContact NH2-OE1 2.61Å; R56-E131 IonicContact NH2-OE2 2.95Å; R56-E131 PolarHBondContact NH2-OE2 3.35Å
57S98.3Very high97.9Very high69 Ų6949.6 Ų49.648%0.48327%0.265SS..Hα-helixtrans-61.9-47.1176.1-66.90000111.6G53 A54 R55 W59 R60 V61G53-S57 PolarHBondContact O-N 3.43Å; G53-S57 PolarHBondContact O-OG 3.45Å; A54-S57 PolarHBondContact O-N 3.2Å; R55-S57 PolarHBondContact O-N 3.23Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.24Å; S57-R60 PolarHBondContact O-N 3.03Å; S57-V61 WeakPolarHBondContact O-CG2 3.49Å; S57-V61 PolarHBondContact O-N 3.19Å; S57-V61 VanDerWaalsContact O-N 3.17Å
58S98.5Very high97.8Very high57 Ų5757.5 Ų57.540%0.39930%0.3SS..Hα-helixtrans-58.9-45174.8-63.30000111.9A54 R55 R60 V61 V62A54-S58 PolarHBondContact O-N 3.39Å; A54-S58 PolarHBondContact O-OG 3.26Å; A54-S58 VanDerWaalsContact O-OG 3.14Å; R55-S58 PolarHBondContact O-N 3.5Å; S58-R60 PolarHBondContact O-N 2.88Å; S58-V61 PolarHBondContact O-N 2.86Å; S58-V62 VanDerWaalsContact O-CG2 3.29Å; S58-V62 WeakPolarHBondContact O-CG2 3.25Å; S58-V62 PolarHBondContact O-N 3.3Å
59W98.4Very high97.6Very high37 Ų3758.3 Ų58.314%0.1431%0.306CS..Hα-helixtrans-59.9-45.7178.9178.180.6000112.3R55 R56 S57 V61 V62 S63 I86 E87 E131 V132R55-W59 WeakPolarHBondContact O-CB 3.49Å; R55-W59 PolarHBondContact O-N 2.94Å; R56-W59 PolarHBondContact O-N 2.87Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.24Å; W59-V61 PolarHBondContact O-N 2.87Å; W59-V62 PolarHBondContact O-N 3.33Å; W59-S63 VanDerWaalsContact O-CB 3.27Å; W59-S63 WeakPolarHBondContact O-CB 3.39Å; W59-S63 PolarHBondContact O-N 2.89Å; W59-S63 PolarHBondContact O-OG 2.89Å; W59-I86 HydrophobicContact CB-CG2 3.74Å; W59-E87 VanDerWaalsContact CD1-CG 3.46Å; W59-E87 VanDerWaalsContact NE1-CG 3.3Å; W59-E87 PolarHBondContact NE1-OE1 2.86Å; W59-E131 HydrophobicContact CH2-CG 4.05Å; W59-E131 HydrophobicContact CZ3-CG 3.73Å; W59-V132 HydrophobicContact CD2-CG1 3.86Å; W59-V132 HydrophobicContact CE3-CG1 4.28Å; W59-V132 HydrophobicContact CG-CG1 4.27Å; W59-V132 HydrophobicContact CH2-CG1 4.33Å; W59-V132 HydrophobicContact CZ2-CB 4.41Å; W59-V132 HydrophobicContact CZ2-CG1 3.92Å
60R97.8Very high97.2Very high96 Ų9659.3 Ų59.336%0.36231%0.313SS..Hα-helixtrans-60.8-44.1177.4-73.1-174.4-178.2106.3-3.6112.5R56 S57 S58 S64 E131R56-R60 VanDerWaalsContact CZ-NH2 3.32Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.28Å; S57-R60 PolarHBondContact O-N 3.03Å; S58-R60 PolarHBondContact O-N 2.88Å; R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.35Å; R60-E131 IonicContact CZ-OE1 3.68Å; R60-E131 IonicContact NE-OE1 3.52Å; R60-E131 PolarHBondContact NE-OE1 3.22Å; R60-E131 IonicContact NH2-OE1 2.82Å; R60-E131 PolarHBondContact NH2-OE1 3.18Å; R60-E131 IonicContact NH2-OE2 3.32Å
61V98.3Very high96.8Very high88 Ų8860.1 Ų60.153%0.53334%0.335SS..Hα-helixtrans-62-48.9178.4171.50000110.5S57 S58 W59 S64 I65S57-V61 WeakPolarHBondContact O-CG2 3.49Å; S57-V61 PolarHBondContact O-N 3.19Å; S57-V61 VanDerWaalsContact O-N 3.17Å; S58-V61 PolarHBondContact O-N 2.86Å; W59-V61 PolarHBondContact O-N 2.87Å; V61-S64 PolarHBondContact O-N 3.43Å; V61-I65 HydrophobicContact CG1-CD1 3.92Å; V61-I65 WeakPolarHBondContact O-CG1 3.25Å; V61-I65 PolarHBondContact O-N 3.03Å
62V98.2Very high96.6Very high13 Ų1361.8 Ų61.88%0.07935%0.349CS..Hα-helixtrans-68-37.9-178179.10000111.4S58 W59 S64 I65 E66 A79 Y82 R83 I86S58-V62 VanDerWaalsContact O-CG2 3.29Å; S58-V62 WeakPolarHBondContact O-CG2 3.25Å; S58-V62 PolarHBondContact O-N 3.3Å; W59-V62 PolarHBondContact O-N 3.33Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 3.26Å; V62-I65 WeakPolarHBondContact O-CB 3.36Å; V62-I65 PolarHBondContact O-N 3.21Å; V62-I65 VanDerWaalsContact O-N 3.14Å; V62-E66 PolarHBondContact O-N 3.41Å; V62-A79 VanDerWaalsContact CG1-O 3.27Å; V62-A79 WeakPolarHBondContact CG1-O 3.44Å; V62-Y82 HydrophobicContact CG1-CD1 4.03Å; V62-Y82 HydrophobicContact CG2-CD1 3.64Å; V62-Y82 HydrophobicContact CG2-CE1 3.9Å; V62-R83 HydrophobicContact CG1-CB 3.93Å; V62-I86 HydrophobicContact CB-CD1 4.23Å; V62-I86 HydrophobicContact CG2-CD1 3.75Å
63S96.9Very high96.4Very high17 Ų1769.6 Ų69.612%0.11939%0.385CS..Hα-helixtrans-61.5-41.5174-590000111.7W59 I65 E66 Q67 R83W59-S63 VanDerWaalsContact O-CB 3.27Å; W59-S63 WeakPolarHBondContact O-CB 3.39Å; W59-S63 PolarHBondContact O-N 2.89Å; W59-S63 PolarHBondContact O-OG 2.89Å; S63-I65 VanDerWaalsContact C-N 3.34Å; S63-I65 PolarHBondContact O-N 3.32Å; S63-E66 PolarHBondContact O-N 3.36Å; S63-Q67 WeakPolarHBondContact O-CG 3.48Å; S63-Q67 PolarHBondContact O-N 2.83Å; S63-Q67 VanDerWaalsContact O-N 3.08Å; S63-R83 WeakPolarHBondContact OG-CD 3.17Å
64S97.6Very high96.3Very high39 Ų3976.6 Ų76.627%0.27341%0.409SS..Hα-helixtrans-64.8-36.9173.8-1750000112.4R60 V61 V62 K68R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.35Å; V61-S64 PolarHBondContact O-N 3.43Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 3.26Å; S64-K68 WeakPolarHBondContact O-CB 3.4Å; S64-K68 VanDerWaalsContact O-CG 3.28Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.48Å; S64-K68 WeakPolarHBondContact OG-CE 3.49Å; S64-K68 PolarHBondContact OG-NZ 3.42Å
65I97.5Very high96.2Very high84 Ų8480.9 Ų80.943%0.43142%0.418SS..Hα-helixtrans-67.2-42.8175-67.7165.5000111V61 V62 S63 Q67 K68 T69 A79V61-I65 HydrophobicContact CG1-CD1 3.92Å; V61-I65 WeakPolarHBondContact O-CG1 3.25Å; V61-I65 PolarHBondContact O-N 3.03Å; V62-I65 WeakPolarHBondContact O-CB 3.36Å; V62-I65 PolarHBondContact O-N 3.21Å; V62-I65 VanDerWaalsContact O-N 3.14Å; S63-I65 VanDerWaalsContact C-N 3.34Å; S63-I65 PolarHBondContact O-N 3.32Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.16Å; I65-K68 PolarHBondContact O-N 3.42Å; I65-T69 HydrophobicContact CG2-CG2 4.28Å; I65-T69 WeakPolarHBondContact O-CB 3.25Å; I65-T69 WeakPolarHBondContact O-CG2 3.37Å; I65-T69 PolarHBondContact O-N 3.35Å; I65-T69 PolarHBondContact O-OG1 3.18Å; I65-A79 HydrophobicContact CG2-CB 4.2Å
66E96.7Very high96.2Very high21 Ų2180.1 Ų80.110%0.09842%0.417CS..Hα-helixtrans-57.6-47.1175.9-175.8-178.8174.600110.7V62 S63 T69 Q76 A79 R80 R83V62-E66 PolarHBondContact O-N 3.41Å; S63-E66 PolarHBondContact O-N 3.36Å; E66-T69 PolarHBondContact O-N 3.28Å; E66-T69 PolarHBondContact O-OG1 2.7Å; E66-T69 VanDerWaalsContact O-OG1 3.05Å; E66-Q76 HydrophobicContact CG-CG 4.04Å; E66-A79 HydrophobicContact CB-CB 3.83Å; E66-A79 HydrophobicContact CG-CB 4.38Å; E66-R80 HydrophobicContact CG-CB 4.45Å; E66-R80 WeakPolarHBondContact OE1-CB 3.37Å; E66-R80 IonicContact OE1-CZ 3.91Å; E66-R80 IonicContact OE1-NE 3.57Å; E66-R80 PolarHBondContact OE1-NE 3.05Å; E66-R80 IonicContact OE1-NH2 3.75Å; E66-R83 IonicContact OE1-NH2 3.18Å; E66-R83 WeakPolarHBondContact OE2-CD 3.36Å; E66-R83 IonicContact OE2-CZ 3.53Å; E66-R83 IonicContact OE2-NE 3.24Å; E66-R83 PolarHBondContact OE2-NE 3.42Å; E66-R83 IonicContact OE2-NH2 2.74Å
67Q95.6Very high96.1Very high143 Ų14382.7 Ų82.767%0.66843%0.431SS*.Hα-helixtrans-61.5-45.5176.7-71.2174.2-8.600112.2S63 I65 T69 E70S63-Q67 WeakPolarHBondContact O-CG 3.48Å; S63-Q67 PolarHBondContact O-N 2.83Å; S63-Q67 VanDerWaalsContact O-N 3.08Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.16Å; Q67-T69 PolarHBondContact O-N 3.29Å; Q67-E70 WeakPolarHBondContact O-CB 3.36Å; Q67-E70 PolarHBondContact O-N 3.19Å
68K96.4Very high96.1Very high167 Ų16784.9 Ų84.973%0.72644%0.435SS*.Hα-helixtrans-71.9-11.6-179.2-71.7171.3-178.2167.40114.4S64 I65S64-K68 WeakPolarHBondContact O-CB 3.4Å; S64-K68 VanDerWaalsContact O-CG 3.28Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.48Å; S64-K68 WeakPolarHBondContact OG-CE 3.49Å; S64-K68 PolarHBondContact OG-NZ 3.42Å; I65-K68 PolarHBondContact O-N 3.42Å
69T93.9Very high96.1Very high25 Ų2582.7 Ų82.715%0.15342%0.42CS..THydrogen-bonded Turntrans-100.212.3177.951.40000112.7I65 E66 Q67 G71 A72 K75 Q76I65-T69 HydrophobicContact CG2-CG2 4.28Å; I65-T69 WeakPolarHBondContact O-CB 3.25Å; I65-T69 WeakPolarHBondContact O-CG2 3.37Å; I65-T69 PolarHBondContact O-N 3.35Å; I65-T69 PolarHBondContact O-OG1 3.18Å; E66-T69 PolarHBondContact O-N 3.28Å; E66-T69 PolarHBondContact O-OG1 2.7Å; E66-T69 VanDerWaalsContact O-OG1 3.05Å; Q67-T69 PolarHBondContact O-N 3.29Å; T69-G71 PolarHBondContact O-N 3.35Å; T69-A72 WeakPolarHBondContact O-CA 3.29Å; T69-A72 WeakPolarHBondContact O-CB 3.24Å; T69-A72 PolarHBondContact O-N 3.19Å; T69-K75 HydrophobicContact CG2-CB 4.03Å; T69-Q76 WeakPolarHBondContact OG1-CA 3.33Å
70E88.8Confident96Very high161 Ų16185.3 Ų85.375%0.75243%0.43SS*.THydrogen-bonded Turntrans-52.6129.8170.8-169.7171.1-160.800111.2Q67 A72Q67-E70 WeakPolarHBondContact O-CB 3.36Å; Q67-E70 PolarHBondContact O-N 3.19Å; E70-A72 VanDerWaalsContact C-N 3.34Å
71G91.3Very high96Very high75 Ų7585.8 Ų85.877%0.77344%0.436SS*.THydrogen-bonded Turntrans87.8-12.2-172.800000115.2T69T69-G71 PolarHBondContact O-N 3.35Å
72A94.5Very high96Very high40 Ų4087.7 Ų87.733%0.33143%0.434SS..  trans-10671.9171.800000110.7T69 E70 K74 K75 Q76T69-A72 WeakPolarHBondContact O-CA 3.29Å; T69-A72 WeakPolarHBondContact O-CB 3.24Å; T69-A72 PolarHBondContact O-N 3.19Å; E70-A72 VanDerWaalsContact C-N 3.34Å; A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 3.44Å; A72-K75 HydrophobicContact CB-CB 4.19Å; A72-K75 HydrophobicContact CB-CD 4.36Å; A72-K75 WeakPolarHBondContact O-CA 3.32Å; A72-K75 PolarHBondContact O-N 2.93Å; A72-Q76 PolarHBondContact O-N 2.77Å
73E93.8Very high96Very high166 Ų16689.2 Ų89.278%0.77644%0.439SS*.Hα-helixtrans-40.7-52-168.7-65.9-179.1173.700114.5K75 Q76 Q77E73-K75 PolarHBondContact O-N 2.71Å; E73-Q76 PolarHBondContact O-N 2.89Å; E73-Q77 WeakPolarHBondContact O-CB 3.5Å; E73-Q77 PolarHBondContact O-N 3.27Å
74K96Very high96.1Very high169 Ų16992.6 Ų92.674%0.73545%0.453SS*.Hα-helixtrans-63.1-40.9-179.1-174.1176.1-179.41780112.8A72 M78A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 3.44Å; K74-M78 HydrophobicContact CG-SD 4.44Å; K74-M78 VanDerWaalsContact O-CG 3.27Å; K74-M78 WeakPolarHBondContact O-CG 3.5Å; K74-M78 PolarHBondContact O-N 3.23Å; K74-M78 VanDerWaalsContact O-N 3.14Å
75K95.8Very high96.1Very high142 Ų14296.3 Ų96.362%0.61746%0.464SS*.Hα-helixtrans-71-41.7179.1-70.9-176.1176.9178.70110.8T69 A72 E73 M78 A79T69-K75 HydrophobicContact CG2-CB 4.03Å; A72-K75 HydrophobicContact CB-CB 4.19Å; A72-K75 HydrophobicContact CB-CD 4.36Å; A72-K75 WeakPolarHBondContact O-CA 3.32Å; A72-K75 PolarHBondContact O-N 2.93Å; E73-K75 PolarHBondContact O-N 2.71Å; K75-M78 PolarHBondContact O-N 3.14Å; K75-A79 WeakPolarHBondContact O-CB 3.43Å; K75-A79 PolarHBondContact O-N 3.1Å
76Q97.1Very high96.1Very high44 Ų4492.5 Ų92.521%0.20644%0.444CS..Hα-helixtrans-61.9-44.4177.1-168.2177.225.700111.2E66 T69 A72 E73 M78 A79 R80E66-Q76 HydrophobicContact CG-CG 4.04Å; T69-Q76 WeakPolarHBondContact OG1-CA 3.33Å; A72-Q76 PolarHBondContact O-N 2.77Å; E73-Q76 PolarHBondContact O-N 2.89Å; Q76-M78 PolarHBondContact O-N 3.4Å; Q76-A79 PolarHBondContact O-N 3.33Å; Q76-R80 WeakPolarHBondContact O-CB 3.32Å; Q76-R80 PolarHBondContact O-N 2.92Å
77Q97.5Very high96.2Very high84 Ų8492.4 Ų92.439%0.39344%0.444SS..Hα-helixtrans-61.1-45.1176.3-177.459.427.900112E73 A79 R80 E81E73-Q77 WeakPolarHBondContact O-CB 3.5Å; E73-Q77 PolarHBondContact O-N 3.27Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; Q77-A79 PolarHBondContact O-N 3.17Å; Q77-R80 WeakPolarHBondContact O-CB 3.37Å; Q77-R80 PolarHBondContact O-N 2.92Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.48Å; Q77-E81 PolarHBondContact NE2-OE1 3.02Å; Q77-E81 WeakPolarHBondContact O-CG 3.08Å; Q77-E81 PolarHBondContact O-N 3.35Å
78M97.7Very high96.3Very high115 Ų11588.8 Ų88.857%0.56743%0.432SS*.Hα-helixtrans-61.8-39.9176-71.3174.666.900112.4K74 K75 Q76 Y82K74-M78 HydrophobicContact CG-SD 4.44Å; K74-M78 VanDerWaalsContact O-CG 3.27Å; K74-M78 WeakPolarHBondContact O-CG 3.5Å; K74-M78 PolarHBondContact O-N 3.23Å; K74-M78 VanDerWaalsContact O-N 3.14Å; K75-M78 PolarHBondContact O-N 3.14Å; Q76-M78 PolarHBondContact O-N 3.4Å; M78-Y82 WeakPolarHBondContact O-CB 3.35Å; M78-Y82 PolarHBondContact O-N 3.24Å; M78-Y82 VanDerWaalsContact O-N 3.17Å
79A97.8Very high96.4Very high10 Ų1083.7 Ų83.78%0.08341%0.411CS..Hα-helixtrans-65.8-42.3176.700000111.3V62 I65 E66 K75 Q76 Q77 Y82 R83V62-A79 VanDerWaalsContact CG1-O 3.27Å; V62-A79 WeakPolarHBondContact CG1-O 3.44Å; I65-A79 HydrophobicContact CG2-CB 4.2Å; E66-A79 HydrophobicContact CB-CB 3.83Å; E66-A79 HydrophobicContact CG-CB 4.38Å; K75-A79 WeakPolarHBondContact O-CB 3.43Å; K75-A79 PolarHBondContact O-N 3.1Å; Q76-A79 PolarHBondContact O-N 3.33Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; Q77-A79 PolarHBondContact O-N 3.17Å; A79-Y82 PolarHBondContact O-N 2.85Å; A79-R83 WeakPolarHBondContact O-CB 3.33Å; A79-R83 PolarHBondContact O-N 3.37Å
80R97.6Very high96.6Very high93 Ų9382.5 Ų82.535%0.35140%0.403SS..Hα-helixtrans-59.8-52.4175.8-178.8176.6-63.8176.12.7112.4E66 Q76 Q77 Y82 R83 E84E66-R80 HydrophobicContact CG-CB 4.45Å; E66-R80 WeakPolarHBondContact OE1-CB 3.37Å; E66-R80 IonicContact OE1-CZ 3.91Å; E66-R80 IonicContact OE1-NE 3.57Å; E66-R80 PolarHBondContact OE1-NE 3.05Å; E66-R80 IonicContact OE1-NH2 3.75Å; Q76-R80 WeakPolarHBondContact O-CB 3.32Å; Q76-R80 PolarHBondContact O-N 2.92Å; Q77-R80 WeakPolarHBondContact O-CB 3.37Å; Q77-R80 PolarHBondContact O-N 2.92Å; R80-Y82 PolarHBondContact O-N 2.95Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 2.61Å; R80-R83 VanDerWaalsContact O-N 3.09Å; R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 WeakPolarHBondContact CG-OE1 3.16Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 2.89Å
81E98.1Very high97Very high106 Ų10679.2 Ų79.250%0.49538%0.384SS..Hα-helixtrans-57.9-39.2179.4-73.3170.2-172.100111.3Q77 K85Q77-E81 WeakPolarHBondContact CG-OE1 3.48Å; Q77-E81 PolarHBondContact NE2-OE1 3.02Å; Q77-E81 WeakPolarHBondContact O-CG 3.08Å; Q77-E81 PolarHBondContact O-N 3.35Å; E81-K85 PolarHBondContact O-N 3.03Å; E81-K85 VanDerWaalsContact O-N 3.12Å
82Y98.2Very high97.3Very high127 Ų12780 Ų8050%0.49837%0.371SS..Hα-helixtrans-72.8-36.3177.3-164.5-123.4000112.6V62 M78 A79 R80 K85 I86V62-Y82 HydrophobicContact CG1-CD1 4.03Å; V62-Y82 HydrophobicContact CG2-CD1 3.64Å; V62-Y82 HydrophobicContact CG2-CE1 3.9Å; M78-Y82 WeakPolarHBondContact O-CB 3.35Å; M78-Y82 PolarHBondContact O-N 3.24Å; M78-Y82 VanDerWaalsContact O-N 3.17Å; A79-Y82 PolarHBondContact O-N 2.85Å; R80-Y82 PolarHBondContact O-N 2.95Å; Y82-K85 HydrophobicContact CD2-CD 4.37Å; Y82-K85 HydrophobicContact CE2-CD 4.37Å; Y82-K85 PolarHBondContact O-N 2.93Å; Y82-I86 HydrophobicContact CD1-CD1 4.07Å; Y82-I86 HydrophobicContact CE1-CD1 3.92Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.24Å; Y82-I86 VanDerWaalsContact O-N 3.14Å
83R97.8Very high97.5Very high46 Ų4679.2 Ų79.217%0.17436%0.36CS..Hα-helixtrans-58.3-51.1171.6-178.9-176.953.978.25.4110.4V62 S63 E66 A79 R80 K85 I86 E87V62-R83 HydrophobicContact CG1-CB 3.93Å; S63-R83 WeakPolarHBondContact OG-CD 3.17Å; E66-R83 IonicContact OE1-NH2 3.18Å; E66-R83 WeakPolarHBondContact OE2-CD 3.36Å; E66-R83 IonicContact OE2-CZ 3.53Å; E66-R83 IonicContact OE2-NE 3.24Å; E66-R83 PolarHBondContact OE2-NE 3.42Å; E66-R83 IonicContact OE2-NH2 2.74Å; A79-R83 WeakPolarHBondContact O-CB 3.33Å; A79-R83 PolarHBondContact O-N 3.37Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 2.61Å; R80-R83 VanDerWaalsContact O-N 3.09Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.41Å; R83-I86 WeakPolarHBondContact O-CB 3.23Å; R83-I86 PolarHBondContact O-N 3Å; R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 IonicContact CZ-OE1 2.76Å; R83-E87 IonicContact NH1-OE1 3.68Å; R83-E87 PolarHBondContact NH1-OE1 3.05Å; R83-E87 IonicContact NH1-OE2 3.27Å; R83-E87 PolarHBondContact NH1-OE2 3.47Å; R83-E87 VanDerWaalsContact NH1-OE2 3.12Å; R83-E87 WeakPolarHBondContact O-CG 3.5Å; R83-E87 PolarHBondContact O-N 3.32Å
84E97.5Very high97.7Very high87 Ų8771.3 Ų71.341%0.40732%0.323SS..Hα-helixtrans-61.4-35.2-178.9-71.6172-177.100112.4R80 E87 T88R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 WeakPolarHBondContact CG-OE1 3.16Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 2.89Å; E84-E87 PolarHBondContact O-N 3.23Å; E84-T88 PolarHBondContact O-N 3.42Å; E84-T88 PolarHBondContact O-OG1 3.44Å
85K98.4Very high97.8Very high117 Ų11766.9 Ų66.951%0.50931%0.308SS..Hα-helixtrans-60.4-48.5170.5-179-179174.6-179.10111.5E81 Y82 R83 E87 T88 E89E81-K85 PolarHBondContact O-N 3.03Å; E81-K85 VanDerWaalsContact O-N 3.12Å; Y82-K85 HydrophobicContact CD2-CD 4.37Å; Y82-K85 HydrophobicContact CE2-CD 4.37Å; Y82-K85 PolarHBondContact O-N 2.93Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.41Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 2.86Å; K85-T88 WeakPolarHBondContact O-CB 3.41Å; K85-T88 PolarHBondContact O-N 3.18Å; K85-E89 VanDerWaalsContact CE-OE1 3.28Å; K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 PolarHBondContact O-N 2.87Å; K85-E89 VanDerWaalsContact O-N 3.07Å
86I98.3Very high98Very high4 Ų463.3 Ų63.32%0.02130%0.296CS..Hα-helixtrans-64.5-38179.5-62.1163.1000110.9R55 W59 V62 Y82 R83 T88 E89 L90R55-I86 HydrophobicContact CB-CG2 4.33Å; R55-I86 HydrophobicContact CG-CG2 4.49Å; R55-I86 WeakPolarHBondContact O-CG2 3.29Å; W59-I86 HydrophobicContact CB-CG2 3.74Å; V62-I86 HydrophobicContact CB-CD1 4.23Å; V62-I86 HydrophobicContact CG2-CD1 3.75Å; Y82-I86 HydrophobicContact CD1-CD1 4.07Å; Y82-I86 HydrophobicContact CE1-CD1 3.92Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.24Å; Y82-I86 VanDerWaalsContact O-N 3.14Å; R83-I86 WeakPolarHBondContact O-CB 3.23Å; R83-I86 PolarHBondContact O-N 3Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 3.03Å; I86-E89 PolarHBondContact O-N 3.37Å; I86-L90 WeakPolarHBondContact O-CB 3.18Å; I86-L90 PolarHBondContact O-N 3.21Å
87E97.7Very high98Very high20 Ų2061.3 Ų61.39%0.09329%0.286CS..Hα-helixtrans-61.3-38175.1-69.8175.5172.700112.2W59 R83 E84 K85 R91 V132W59-E87 VanDerWaalsContact CD1-CG 3.46Å; W59-E87 VanDerWaalsContact NE1-CG 3.3Å; W59-E87 PolarHBondContact NE1-OE1 2.86Å; R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 IonicContact CZ-OE1 2.76Å; R83-E87 IonicContact NH1-OE1 3.68Å; R83-E87 PolarHBondContact NH1-OE1 3.05Å; R83-E87 IonicContact NH1-OE2 3.27Å; R83-E87 PolarHBondContact NH1-OE2 3.47Å; R83-E87 VanDerWaalsContact NH1-OE2 3.12Å; R83-E87 WeakPolarHBondContact O-CG 3.5Å; R83-E87 PolarHBondContact O-N 3.32Å; E84-E87 PolarHBondContact O-N 3.23Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 2.86Å; E87-R91 VanDerWaalsContact O-CB 3.26Å; E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 PolarHBondContact O-N 3.45Å; E87-V132 HydrophobicContact CG-CB 4.06Å; E87-V132 HydrophobicContact CG-CG1 4.36Å
88T97.8Very high98.1Very high66 Ų6657.6 Ų57.641%0.40527%0.269SS..Hα-helixtrans-64.4-49.3174.7-56.80000110.9E84 K85 I86 L90 R91 D92E84-T88 PolarHBondContact O-N 3.42Å; E84-T88 PolarHBondContact O-OG1 3.44Å; K85-T88 WeakPolarHBondContact O-CB 3.41Å; K85-T88 PolarHBondContact O-N 3.18Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 3.03Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.27Å; T88-R91 PolarHBondContact O-N 3.46Å; T88-D92 VanDerWaalsContact O-CG 3.26Å; T88-D92 PolarHBondContact O-N 3.48Å
89E98.2Very high98.1Very high61 Ų6153.7 Ų53.729%0.28525%0.253SS..Hα-helixtrans-58-44.8175.8-66.7176.9-163.500111.9R55 K85 I86 R91 D92 I93R55-E89 HydrophobicContact CG-CB 4.19Å; R55-E89 IonicContact NE-OE2 3.7Å; R55-E89 PolarHBondContact NE-OE2 2.92Å; K85-E89 VanDerWaalsContact CE-OE1 3.28Å; K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 PolarHBondContact O-N 2.87Å; K85-E89 VanDerWaalsContact O-N 3.07Å; I86-E89 PolarHBondContact O-N 3.37Å; E89-R91 PolarHBondContact O-N 2.94Å; E89-D92 PolarHBondContact O-N 3.41Å; E89-I93 VanDerWaalsContact O-CD1 3.29Å; E89-I93 WeakPolarHBondContact O-CD1 3.46Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 2.99Å; E89-I93 PolarHBondContact O-N 3.39Å
90L98Very high98.2Very high0 Ų053.3 Ų53.30%025%0.25CC..Hα-helixtrans-62-44.1178.1-173.3153.7000111.2V52 R55 R56 I86 T88 I93 C94 L129 V132V52-L90 HydrophobicContact CG2-CG 4.36Å; R55-L90 HydrophobicContact CB-CB 4.39Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.48Å; R56-L90 VanDerWaalsContact CG-CD1 3.48Å; I86-L90 WeakPolarHBondContact O-CB 3.18Å; I86-L90 PolarHBondContact O-N 3.21Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.27Å; L90-I93 PolarHBondContact O-N 3.45Å; L90-C94 WeakPolarHBondContact O-CB 3.47Å; L90-C94 PolarHBondContact O-N 3.31Å; L90-C94 PolarHBondContact O-SG 2.79Å; L90-L129 HydrophobicContact CD2-CD2 4.48Å; L90-V132 HydrophobicContact CD1-CG1 4.06Å; L90-V132 HydrophobicContact CD2-CG1 4.37Å; L90-V132 HydrophobicContact CD2-CG2 3.89Å
91R97.8Very high98.2Very high92 Ų9249 Ų4935%0.34723%0.233SC..Hα-helixtrans-61.6-44.2178-174.7-177.6-5799.83.2111.4E87 T88 E89 C94 N95 L129E87-R91 VanDerWaalsContact O-CB 3.26Å; E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 PolarHBondContact O-N 3.45Å; T88-R91 PolarHBondContact O-N 3.46Å; E89-R91 PolarHBondContact O-N 2.94Å; R91-C94 PolarHBondContact O-N 3.28Å; R91-N95 WeakPolarHBondContact O-CB 3.28Å; R91-N95 VanDerWaalsContact O-CG 3.3Å; R91-N95 PolarHBondContact O-N 2.86Å; R91-N95 PolarHBondContact O-ND2 2.56Å; R91-L129 HydrophobicContact CB-CD2 4.14Å; R91-L129 HydrophobicContact CG-CD2 3.95Å
92D98.3Very high98.3Very high92 Ų9247.9 Ų47.949%0.49223%0.228SC..Hα-helixtrans-62.8-46.6178.6-67.3-17.2000111.1T88 E89 C94 N95 D96T88-D92 VanDerWaalsContact O-CG 3.26Å; T88-D92 PolarHBondContact O-N 3.48Å; E89-D92 PolarHBondContact O-N 3.41Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 2.77Å; D92-N95 PolarHBondContact O-N 2.86Å; D92-D96 WeakPolarHBondContact O-CB 3.32Å; D92-D96 PolarHBondContact O-N 2.96Å
93I98.4Very high98.3Very high22 Ų2248.4 Ų48.411%0.11323%0.233CC..Hα-helixtrans-59.3-45.3176-66.6156.2000111Y48 V51 V52 R55 E89 L90 D96 V97Y48-I93 HydrophobicContact CD1-CG2 4.16Å; V51-I93 HydrophobicContact CG1-CD1 3.62Å; V51-I93 HydrophobicContact CG1-CG1 3.92Å; V51-I93 HydrophobicContact CG1-CG2 4.03Å; V52-I93 HydrophobicContact CB-CG2 4.11Å; V52-I93 HydrophobicContact CG2-CG2 4.43Å; R55-I93 HydrophobicContact CG-CD1 3.93Å; E89-I93 VanDerWaalsContact O-CD1 3.29Å; E89-I93 WeakPolarHBondContact O-CD1 3.46Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 2.99Å; E89-I93 PolarHBondContact O-N 3.39Å; L90-I93 PolarHBondContact O-N 3.45Å; I93-D96 WeakPolarHBondContact O-CB 3.4Å; I93-D96 PolarHBondContact O-N 3.41Å; I93-V97 WeakPolarHBondContact O-CG2 3.19Å; I93-V97 PolarHBondContact O-N 3.07Å
94C98.5Very high98.3Very high0 Ų048.6 Ų48.60%024%0.235CC..Hα-helixtrans-66.7-44.6-179.1-65.60000111.7L90 R91 D92 D96 V97 L98 Y125 L129L90-C94 WeakPolarHBondContact O-CB 3.47Å; L90-C94 PolarHBondContact O-N 3.31Å; L90-C94 PolarHBondContact O-SG 2.79Å; R91-C94 PolarHBondContact O-N 3.28Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 2.77Å; C94-D96 VanDerWaalsContact C-N 3.3Å; C94-D96 PolarHBondContact O-N 2.82Å; C94-V97 PolarHBondContact O-N 3Å; C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 VanDerWaalsContact O-CG 3.22Å; C94-L98 WeakPolarHBondContact O-CG 3.48Å; C94-L98 PolarHBondContact O-N 3.37Å; C94-Y125 HydrophobicContact CB-CD1 4.06Å; C94-L129 HydrophobicContact CB-CD1 4Å; C94-L129 HydrophobicContact CB-CD2 3.65Å; C94-L129 HydrophobicContact CB-CG 3.62Å
95N98.3Very high98.3Very high77 Ų7744.9 Ų44.941%0.41222%0.218SC..Hα-helixtrans-65.1-34.9178.7-74.9-25.9000112.5R91 D92 L98 S99R91-N95 WeakPolarHBondContact O-CB 3.28Å; R91-N95 VanDerWaalsContact O-CG 3.3Å; R91-N95 PolarHBondContact O-N 2.86Å; R91-N95 PolarHBondContact O-ND2 2.56Å; D92-N95 PolarHBondContact O-N 2.86Å; N95-L98 PolarHBondContact O-N 2.93Å; N95-S99 VanDerWaalsContact O-CB 3.3Å; N95-S99 WeakPolarHBondContact O-CB 3.28Å; N95-S99 PolarHBondContact O-N 3.21Å
96D98.2Very high98.3Very high67 Ų6740.8 Ų40.836%0.35820%0.201SC..Hα-helixtrans-58.2-50.5172-100.71.9000111.3K27 D92 I93 C94 S99 L100K27-D96 IonicContact NZ-OD1 2.7Å; K27-D96 PolarHBondContact NZ-OD1 3.19Å; K27-D96 IonicContact NZ-OD2 2.93Å; K27-D96 PolarHBondContact NZ-OD2 2.83Å; D92-D96 WeakPolarHBondContact O-CB 3.32Å; D92-D96 PolarHBondContact O-N 2.96Å; I93-D96 WeakPolarHBondContact O-CB 3.4Å; I93-D96 PolarHBondContact O-N 3.41Å; C94-D96 VanDerWaalsContact C-N 3.3Å; C94-D96 PolarHBondContact O-N 2.82Å; D96-S99 PolarHBondContact O-N 3.02Å; D96-L100 WeakPolarHBondContact O-CG 3.29Å; D96-L100 PolarHBondContact O-N 3.27Å; D96-L100 VanDerWaalsContact O-N 3.08Å
97V98.5Very high98.3Very high2 Ų244.6 Ų44.61%0.01223%0.227CC..Hα-helixtrans-64-45.6178.2172.60000111.9Y48 I93 C94 S99 L100 L101 M121 Y125Y48-V97 HydrophobicContact CD1-CG2 3.14Å; Y48-V97 HydrophobicContact CD2-CG2 3.82Å; Y48-V97 HydrophobicContact CE1-CG2 3.44Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.44Å; Y48-V97 HydrophobicContact CE2-CG2 4.08Å; Y48-V97 HydrophobicContact CG-CG2 3.33Å; I93-V97 WeakPolarHBondContact O-CG2 3.19Å; I93-V97 PolarHBondContact O-N 3.07Å; C94-V97 PolarHBondContact O-N 3Å; V97-S99 VanDerWaalsContact C-N 3.29Å; V97-S99 PolarHBondContact O-N 3.47Å; V97-L100 WeakPolarHBondContact O-CB 3.43Å; V97-L100 PolarHBondContact O-N 2.99Å; V97-L100 VanDerWaalsContact O-N 3.09Å; V97-L101 HydrophobicContact CG1-CD1 3.68Å; V97-L101 HydrophobicContact CG1-CG 4.16Å; V97-L101 VanDerWaalsContact O-CG 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 3.49Å; V97-M121 HydrophobicContact CG1-CE 3.69Å; V97-Y125 HydrophobicContact CB-CD1 3.97Å; V97-Y125 HydrophobicContact CB-CD2 4.29Å; V97-Y125 HydrophobicContact CB-CE1 4.03Å; V97-Y125 HydrophobicContact CB-CE2 4.4Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 4.09Å; V97-Y125 HydrophobicContact CG1-CD2 3.5Å; V97-Y125 HydrophobicContact CG1-CE1 4.16Å; V97-Y125 HydrophobicContact CG1-CE2 3.63Å; V97-Y125 HydrophobicContact CG1-CG 3.78Å; V97-Y125 HydrophobicContact CG2-CD1 4.17Å; V97-Y125 HydrophobicContact CG2-CE1 3.73Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å
98L98.8Very high98.2Very high5 Ų546.9 Ų46.93%0.02624%0.239CC..Hα-helixtrans-59.8-42.1178.8-70.2170.5000110.9C94 N95 L100 L101 E102 K122 Y126 L129C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 VanDerWaalsContact O-CG 3.22Å; C94-L98 WeakPolarHBondContact O-CG 3.48Å; C94-L98 PolarHBondContact O-N 3.37Å; N95-L98 PolarHBondContact O-N 2.93Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.4Å; L98-L101 HydrophobicContact CD2-CD1 4.48Å; L98-L101 PolarHBondContact O-N 3.38Å; L98-E102 WeakPolarHBondContact O-CB 3.41Å; L98-E102 VanDerWaalsContact O-CG 3.3Å; L98-E102 WeakPolarHBondContact O-CG 3.29Å; L98-E102 PolarHBondContact O-N 3.42Å; L98-K122 HydrophobicContact CD2-CG 3.9Å; L98-Y126 HydrophobicContact CD1-CD1 3.92Å; L98-Y126 HydrophobicContact CD1-CD2 4.45Å; L98-Y126 HydrophobicContact CD1-CE1 3.63Å; L98-Y126 HydrophobicContact CD1-CE2 4.18Å; L98-Y126 HydrophobicContact CD1-CG 4.32Å; L98-Y126 HydrophobicContact CD2-CD2 3.72Å; L98-Y126 HydrophobicContact CD2-CE1 4.48Å; L98-Y126 HydrophobicContact CD2-CE2 3.51Å; L98-Y126 HydrophobicContact CD2-CG 4.28Å; L98-Y126 HydrophobicContact CG-CE2 4.46Å; L98-L129 HydrophobicContact CD1-CD1 3.63Å
99S98.7Very high98.2Very high34 Ų3444.6 Ų44.624%0.23823%0.228CC..Hα-helixtrans-60.9-40.7174174.50000112.1N95 D96 V97 K103N95-S99 VanDerWaalsContact O-CB 3.3Å; N95-S99 WeakPolarHBondContact O-CB 3.28Å; N95-S99 PolarHBondContact O-N 3.21Å; D96-S99 PolarHBondContact O-N 3.02Å; V97-S99 VanDerWaalsContact C-N 3.29Å; V97-S99 PolarHBondContact O-N 3.47Å; S99-K103 VanDerWaalsContact O-CB 3.26Å; S99-K103 WeakPolarHBondContact O-CB 2.97Å; S99-K103 WeakPolarHBondContact O-CG 3.07Å; S99-K103 PolarHBondContact O-N 3.49Å; S99-K103 WeakPolarHBondContact OG-CE 3.36Å; S99-K103 PolarHBondContact OG-NZ 2.96Å
100L98.8Very high98.1Very high2 Ų245.5 Ų45.51%0.0124%0.24CC..Hα-helixtrans-65-44175.5-67.8175.8000112.1K27 T30 E31 L44 Y48 D96 V97 L98 F104 L105K27-L100 HydrophobicContact CB-CD1 4.23Å; K27-L100 HydrophobicContact CG-CD1 4.06Å; K27-L100 HydrophobicContact CG-CD2 4.12Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.94Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; L44-L100 HydrophobicContact CD1-CD1 4.4Å; Y48-L100 HydrophobicContact CE2-CD1 3.91Å; D96-L100 WeakPolarHBondContact O-CG 3.29Å; D96-L100 PolarHBondContact O-N 3.27Å; D96-L100 VanDerWaalsContact O-N 3.08Å; V97-L100 WeakPolarHBondContact O-CB 3.43Å; V97-L100 PolarHBondContact O-N 2.99Å; V97-L100 VanDerWaalsContact O-N 3.09Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.4Å; L100-F104 HydrophobicContact CD2-CD2 4.05Å; L100-F104 HydrophobicContact CD2-CE2 4.29Å; L100-F104 PolarHBondContact O-N 3.34Å; L100-L105 HydrophobicContact CB-CD1 4.31Å; L100-L105 PolarHBondContact O-N 2.72Å; L100-L105 VanDerWaalsContact O-N 3.12Å
101L98.8Very high98.1Very high1 Ų151.4 Ų51.41%0.00527%0.268CS..Iπ-helixtrans-60.9-47.5179.4-72.2167.1000111.4V97 L98 L105 I106 Y118 M121 K122V97-L101 HydrophobicContact CG1-CD1 3.68Å; V97-L101 HydrophobicContact CG1-CG 4.16Å; V97-L101 VanDerWaalsContact O-CG 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 3.49Å; L98-L101 HydrophobicContact CD2-CD1 4.48Å; L98-L101 PolarHBondContact O-N 3.38Å; L101-L105 HydrophobicContact CD2-CB 4.33Å; L101-L105 HydrophobicContact CD2-CD1 3.78Å; L101-L105 HydrophobicContact CG-CD1 4.29Å; L101-L105 PolarHBondContact O-N 3.23Å; L101-I106 HydrophobicContact CB-CD1 4.1Å; L101-I106 HydrophobicContact CB-CG1 4.48Å; L101-I106 WeakPolarHBondContact O-CB 3.35Å; L101-I106 WeakPolarHBondContact O-CG1 3.15Å; L101-I106 PolarHBondContact O-N 2.85Å; L101-Y118 HydrophobicContact CD2-CD1 3.85Å; L101-Y118 HydrophobicContact CD2-CG 4.14Å; L101-M121 HydrophobicContact CD1-CB 4.25Å; L101-M121 HydrophobicContact CD1-CG 4.14Å; L101-M121 HydrophobicContact CD2-CB 4.24Å; L101-M121 HydrophobicContact CD2-CG 4.41Å; L101-M121 HydrophobicContact CD2-SD 4.11Å; L101-K122 HydrophobicContact CD1-CB 3.99Å
102E98.4Very high98Very high84 Ų8448.4 Ų48.439%0.39326%0.263SS..Iπ-helixtrans-76-35.2-174.9-68.8-178.5155.800113.5L98 P107 K122L98-E102 WeakPolarHBondContact O-CB 3.41Å; L98-E102 VanDerWaalsContact O-CG 3.3Å; L98-E102 WeakPolarHBondContact O-CG 3.29Å; L98-E102 PolarHBondContact O-N 3.42Å; E102-P107 WeakPolarHBondContact O-CD 3.36Å; E102-P107 WeakPolarHBondContact O-CG 3.35Å; E102-K122 WeakPolarHBondContact OE1-CE 3.31Å; E102-K122 IonicContact OE1-NZ 3.67Å; E102-K122 PolarHBondContact OE1-NZ 2.95Å
103K98.3Very high98Very high137 Ų13746.8 Ų46.860%0.59625%0.252SS*.Iπ-helixtrans-90.1-33.2-175.2-66.2174.8-176.6160.20113.8S99S99-K103 VanDerWaalsContact O-CB 3.26Å; S99-K103 WeakPolarHBondContact O-CB 2.97Å; S99-K103 WeakPolarHBondContact O-CG 3.07Å; S99-K103 PolarHBondContact O-N 3.49Å; S99-K103 WeakPolarHBondContact OG-CE 3.36Å; S99-K103 PolarHBondContact OG-NZ 2.96Å
104F98.4Very high97.9Very high51 Ų5145.9 Ų45.922%0.22425%0.248CC..Iπ-helixtrans-125.8-38.9-168.1-56.6-79.9000113.9T30 E31 L100 N108T30-F104 HydrophobicContact CG2-CB 3.8Å; T30-F104 HydrophobicContact CG2-CD2 4.49Å; T30-F104 HydrophobicContact CG2-CG 4.38Å; E31-F104 HydrophobicContact CB-CE2 4.46Å; E31-F104 HydrophobicContact CB-CZ 4.24Å; E31-F104 HydrophobicContact CG-CD2 4.46Å; E31-F104 HydrophobicContact CG-CE2 3.84Å; E31-F104 HydrophobicContact CG-CZ 4.06Å; L100-F104 HydrophobicContact CD2-CD2 4.05Å; L100-F104 HydrophobicContact CD2-CE2 4.29Å; L100-F104 PolarHBondContact O-N 3.34Å; F104-N108 VanDerWaalsContact O-CB 3.24Å; F104-N108 WeakPolarHBondContact O-CB 3.5Å; F104-N108 VanDerWaalsContact O-CG 3.32Å; F104-N108 PolarHBondContact O-ND2 2.88Å
105L98.6Very high97.9Very high8 Ų849.3 Ų49.34%0.04226%0.263CS..Iπ-helixtrans-90.8-54.3-167.8-59.4166000112.9T30 L36 L44 L100 L101 N108 A109 Y118T30-L105 HydrophobicContact CG2-CD1 4.1Å; T30-L105 HydrophobicContact CG2-CD2 3.57Å; T30-L105 HydrophobicContact CG2-CG 3.71Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.87Å; L44-L105 HydrophobicContact CD2-CD1 3.5Å; L44-L105 HydrophobicContact CD2-CD2 4.34Å; L100-L105 HydrophobicContact CB-CD1 4.31Å; L100-L105 PolarHBondContact O-N 2.72Å; L100-L105 VanDerWaalsContact O-N 3.12Å; L101-L105 HydrophobicContact CD2-CB 4.33Å; L101-L105 HydrophobicContact CD2-CD1 3.78Å; L101-L105 HydrophobicContact CG-CD1 4.29Å; L101-L105 PolarHBondContact O-N 3.23Å; L105-N108 PolarHBondContact O-N 2.95Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.14Å; L105-A109 VanDerWaalsContact O-N 3.07Å; L105-Y118 HydrophobicContact CB-CD1 3.86Å; L105-Y118 HydrophobicContact CB-CD2 3.84Å; L105-Y118 HydrophobicContact CB-CE1 3.9Å; L105-Y118 HydrophobicContact CB-CE2 3.91Å; L105-Y118 HydrophobicContact CB-CG 3.85Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 3.99Å; L105-Y118 HydrophobicContact CD2-CE1 3.92Å; L105-Y118 HydrophobicContact CD2-CE2 4.46Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.16Å
106I98.4Very high97.9Very high31 Ų3145.6 Ų45.616%0.15924%0.243CC..Hα-helixtrans-63.8-45.1-179.6-63.6168000111.3L101 N108 A109 L119 K122L101-I106 HydrophobicContact CB-CD1 4.1Å; L101-I106 HydrophobicContact CB-CG1 4.48Å; L101-I106 WeakPolarHBondContact O-CB 3.35Å; L101-I106 WeakPolarHBondContact O-CG1 3.15Å; L101-I106 PolarHBondContact O-N 2.85Å; I106-N108 VanDerWaalsContact C-N 3.31Å; I106-N108 PolarHBondContact O-N 3.37Å; I106-A109 PolarHBondContact O-N 2.88Å; I106-L119 HydrophobicContact CD1-CD2 4.06Å; I106-K122 HydrophobicContact CD1-CB 4.39Å; I106-K122 HydrophobicContact CD1-CD 3.87Å
107P97.7Very high98Very high85 Ų8543.8 Ų43.855%0.55223%0.232SC*.Hα-helixtrans-65.7-30179.3-23.135.1000114.4E102E102-P107 WeakPolarHBondContact O-CD 3.36Å; E102-P107 WeakPolarHBondContact O-CG 3.35Å
108N96.3Very high98Very high67 Ų6743.7 Ų43.736%0.35823%0.232SC..Hα-helixtrans-96.6-0.3-177.6-65.7-37.3000113.7G33 F104 L105 I106 S110G33-N108 PolarHBondContact O-ND2 3.46Å; G33-N108 VanDerWaalsContact O-ND2 3.12Å; F104-N108 VanDerWaalsContact O-CB 3.24Å; F104-N108 WeakPolarHBondContact O-CB 3.5Å; F104-N108 VanDerWaalsContact O-CG 3.32Å; F104-N108 PolarHBondContact O-ND2 2.88Å; L105-N108 PolarHBondContact O-N 2.95Å; I106-N108 VanDerWaalsContact C-N 3.31Å; I106-N108 PolarHBondContact O-N 3.37Å; N108-S110 PolarHBondContact O-N 3.49Å; N108-S110 VanDerWaalsContact O-N 3.16Å
109A97.4Very high98Very high19 Ų1943.6 Ų43.616%0.15723%0.231CC..  trans-70.9108.8178.700000110.6E35 L105 I106 K115 Y118E35-A109 WeakPolarHBondContact OE1-CA 3.38Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.14Å; L105-A109 VanDerWaalsContact O-N 3.07Å; I106-A109 PolarHBondContact O-N 2.88Å; A109-K115 HydrophobicContact CB-CB 4.14Å; A109-Y118 HydrophobicContact CB-CD2 3.98Å; A109-Y118 HydrophobicContact CB-CE2 4.1Å
110S96.2Very high98Very high79 Ų7943.7 Ų43.755%0.55223%0.227SC*.  trans-83.6-28.2-179.764.50000112.9E35 N108E35-S110 VanDerWaalsContact CD-OG 3.26Å; E35-S110 PolarHBondContact OE1-N 2.95Å; E35-S110 PolarHBondContact OE1-OG 3.33Å; E35-S110 VanDerWaalsContact OE1-OG 3.05Å; E35-S110 VanDerWaalsContact OE2-CB 3.32Å; E35-S110 WeakPolarHBondContact OE2-CB 3.49Å; E35-S110 PolarHBondContact OE2-OG 3.29Å; N108-S110 PolarHBondContact O-N 3.49Å; N108-S110 VanDerWaalsContact O-N 3.16Å
111Q96.4Very high98Very high124 Ų12444 Ų4458%0.57923%0.229SC*.SBendtrans-99.7143.7-178.9-57.8-56.7-40.800112E113 S114 K115Q111-E113 PolarHBondContact O-N 3.49Å; Q111-S114 PolarHBondContact O-N 2.86Å; Q111-K115 PolarHBondContact O-N 2.92Å
112A96.9Very high98Very high30 Ų3045.5 Ų45.525%0.24824%0.235CC..Hα-helixtrans-56-40.3175.300000111.7K115 V116 I155 E159A112-K115 PolarHBondContact O-N 2.96Å; A112-V116 WeakPolarHBondContact O-CG2 3.38Å; A112-V116 PolarHBondContact O-N 3.46Å; A112-I155 HydrophobicContact CB-CG2 4.2Å; A112-E159 HydrophobicContact CB-CB 3.72Å; A112-E159 HydrophobicContact CB-CG 3.89Å
113E97Very high98Very high57 Ų5741.5 Ų41.527%0.26622%0.217SC..Hα-helixtrans-57.3-51.8177.2-170.3-163.6121.600112.1R41 Q111 K115 V116 F117 M160 H164 I166R41-E113 IonicContact CZ-OE1 2.93Å; R41-E113 VanDerWaalsContact CZ-OE1 3.32Å; R41-E113 IonicContact NH1-OE1 2.89Å; R41-E113 PolarHBondContact NH1-OE1 2.98Å; R41-E113 IonicContact NH2-OE1 3.01Å; R41-E113 PolarHBondContact NH2-OE1 3.24Å; Q111-E113 PolarHBondContact O-N 3.49Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.33Å; E113-V116 PolarHBondContact O-N 3.43Å; E113-F117 WeakPolarHBondContact O-CB 3.46Å; E113-F117 PolarHBondContact O-N 3.22Å; E113-M160 HydrophobicContact CG-CE 4.38Å; E113-H164 IonicContact OE2-NE2 2.75Å; E113-I166 HydrophobicContact CG-CD1 3.38Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.27Å
114S98Very high98Very high4 Ų435.4 Ų35.43%0.02819%0.19CC..Hα-helixtrans-61.9-40.6177.9-68.40000111.5Q111 F117 Y118Q111-S114 PolarHBondContact O-N 2.86Å; S114-F117 WeakPolarHBondContact O-CB 3.32Å; S114-F117 PolarHBondContact O-N 3.22Å; S114-Y118 WeakPolarHBondContact O-CD2 3.43Å; S114-Y118 VanDerWaalsContact O-CG 3.3Å; S114-Y118 PolarHBondContact O-N 3.47Å
115K98.4Very high98Very high71 Ų7133.3 Ų33.331%0.30918%0.181SC..Hα-helixtrans-63.4-46.1177.9-171.2170.4177.9-175.90111.9A109 Q111 A112 E113 F117 Y118 L119 E151 I155A109-K115 HydrophobicContact CB-CB 4.14Å; Q111-K115 PolarHBondContact O-N 2.92Å; A112-K115 PolarHBondContact O-N 2.96Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.33Å; K115-F117 VanDerWaalsContact C-N 3.34Å; K115-Y118 PolarHBondContact O-N 3.21Å; K115-L119 HydrophobicContact CG-CD1 3.88Å; K115-L119 HydrophobicContact CG-CG 4.48Å; K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å; K115-L119 PolarHBondContact O-N 3.17Å; K115-E151 IonicContact NZ-OE1 2.78Å; K115-I155 HydrophobicContact CD-CD1 3.77Å; K115-I155 HydrophobicContact CG-CD1 4.03Å
116V98.7Very high98Very high0 Ų034.4 Ų34.40%019%0.185CC..Hα-helixtrans-63-42175.6175.20000110.7A112 E113 Y118 L119 K120 A152 I155 M160 I166 L170A112-V116 WeakPolarHBondContact O-CG2 3.38Å; A112-V116 PolarHBondContact O-N 3.46Å; E113-V116 PolarHBondContact O-N 3.43Å; V116-Y118 PolarHBondContact O-N 3.34Å; V116-L119 PolarHBondContact O-N 2.95Å; V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 PolarHBondContact O-N 2.99Å; V116-A152 HydrophobicContact CG1-CB 4.34Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; V116-M160 HydrophobicContact CB-SD 4.03Å; V116-M160 HydrophobicContact CG1-SD 4Å; V116-M160 HydrophobicContact CG2-SD 3.86Å; V116-I166 HydrophobicContact CB-CG2 4.27Å; V116-I166 HydrophobicContact CG1-CG2 3.72Å; V116-L170 HydrophobicContact CG1-CD2 4.06Å
117F98.6Very high98Very high28 Ų2833.5 Ų33.512%0.12318%0.179CC..Hα-helixtrans-57.3-49.8176.8-172.2-80000111.8R41 E113 S114 K115 M121 I166R41-F117 VanDerWaalsContact CD-CD1 3.48Å; R41-F117 HydrophobicContact CG-CD1 3.6Å; R41-F117 HydrophobicContact CG-CE1 3.44Å; R41-F117 VanDerWaalsContact CG-CE1 3.44Å; R41-F117 HydrophobicContact CG-CE2 4.47Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.92Å; E113-F117 WeakPolarHBondContact O-CB 3.46Å; E113-F117 PolarHBondContact O-N 3.22Å; S114-F117 WeakPolarHBondContact O-CB 3.32Å; S114-F117 PolarHBondContact O-N 3.22Å; K115-F117 VanDerWaalsContact C-N 3.34Å; F117-M121 HydrophobicContact CE1-SD 4.48Å; F117-M121 WeakPolarHBondContact O-CB 3.45Å; F117-M121 PolarHBondContact O-N 2.89Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CD2-CD1 3.81Å; F117-I166 HydrophobicContact CD2-CG1 4.1Å
118Y98.8Very high98.1Very high1 Ų130.6 Ų30.60%0.00416%0.158CC..Hα-helixtrans-71.1-37.9-178.9-62.5-45.2000113R41 L101 L105 A109 S114 K115 V116 M121 K122R41-Y118 HydrophobicContact CG-CE1 3.68Å; L101-Y118 HydrophobicContact CD2-CD1 3.85Å; L101-Y118 HydrophobicContact CD2-CG 4.14Å; L105-Y118 HydrophobicContact CB-CD1 3.86Å; L105-Y118 HydrophobicContact CB-CD2 3.84Å; L105-Y118 HydrophobicContact CB-CE1 3.9Å; L105-Y118 HydrophobicContact CB-CE2 3.91Å; L105-Y118 HydrophobicContact CB-CG 3.85Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 3.99Å; L105-Y118 HydrophobicContact CD2-CE1 3.92Å; L105-Y118 HydrophobicContact CD2-CE2 4.46Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.16Å; A109-Y118 HydrophobicContact CB-CD2 3.98Å; A109-Y118 HydrophobicContact CB-CE2 4.1Å; S114-Y118 WeakPolarHBondContact O-CD2 3.43Å; S114-Y118 VanDerWaalsContact O-CG 3.3Å; S114-Y118 PolarHBondContact O-N 3.47Å; K115-Y118 PolarHBondContact O-N 3.21Å; V116-Y118 PolarHBondContact O-N 3.34Å; Y118-M121 WeakPolarHBondContact O-CB 3.45Å; Y118-M121 PolarHBondContact O-N 3.15Å; Y118-K122 WeakPolarHBondContact O-CB 3.33Å; Y118-K122 PolarHBondContact O-N 3.43Å
119L98.9Very high98.1Very high2 Ų227.9 Ų27.91%0.0114%0.143CC..Hα-helixtrans-67.5-40.7175.5-73.5167.5000111.9I106 K115 V116 M121 K122 G123 E151 A152 I155I106-L119 HydrophobicContact CD1-CD2 4.06Å; K115-L119 HydrophobicContact CG-CD1 3.88Å; K115-L119 HydrophobicContact CG-CG 4.48Å; K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å; K115-L119 PolarHBondContact O-N 3.17Å; V116-L119 PolarHBondContact O-N 2.95Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.48Å; L119-K122 WeakPolarHBondContact O-CB 3.38Å; L119-K122 PolarHBondContact O-N 3.31Å; L119-G123 PolarHBondContact O-N 3.01Å; L119-E151 HydrophobicContact CD1-CB 4.11Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; L119-E151 HydrophobicContact CD2-CB 4.45Å; L119-E151 HydrophobicContact CD2-CG 4.44Å; L119-A152 HydrophobicContact CB-CB 3.66Å; L119-I155 HydrophobicContact CD1-CD1 3.74Å
120K98.7Very high98.1Very high37 Ų3727 Ų2716%0.16114%0.136CC..Hα-helixtrans-56.4-47.7170.4177.8-168.2168.7-67.10110.5V116 K122 G123 D124 G169 L170 N173V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 PolarHBondContact O-N 2.99Å; K120-K122 PolarHBondContact O-N 3.14Å; K120-G123 PolarHBondContact O-N 3.06Å; K120-D124 IonicContact NZ-OD2 2.92Å; K120-D124 PolarHBondContact NZ-OD2 2.89Å; K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.48Å; K120-G169 WeakPolarHBondContact CE-O 3.46Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.12Å; K120-L170 HydrophobicContact CG-CB 4.31Å; K120-L170 HydrophobicContact CG-CD1 4Å; K120-N173 WeakPolarHBondContact CE-ND2 3.43Å; K120-N173 PolarHBondContact NZ-ND2 3.42Å
121M98.7Very high98.1Very high8 Ų825 Ų254%0.03912%0.117CC..Hα-helixtrans-59.9-45.2176.8-165.4175.6177.300110.7V97 L101 F117 Y118 L119 G123 D124 Y125V97-M121 HydrophobicContact CG1-CE 3.69Å; L101-M121 HydrophobicContact CD1-CB 4.25Å; L101-M121 HydrophobicContact CD1-CG 4.14Å; L101-M121 HydrophobicContact CD2-CB 4.24Å; L101-M121 HydrophobicContact CD2-CG 4.41Å; L101-M121 HydrophobicContact CD2-SD 4.11Å; F117-M121 HydrophobicContact CE1-SD 4.48Å; F117-M121 WeakPolarHBondContact O-CB 3.45Å; F117-M121 PolarHBondContact O-N 2.89Å; Y118-M121 WeakPolarHBondContact O-CB 3.45Å; Y118-M121 PolarHBondContact O-N 3.15Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.48Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.35Å; M121-D124 WeakPolarHBondContact O-CB 3.45Å; M121-D124 PolarHBondContact O-N 3Å; M121-D124 VanDerWaalsContact O-N 3.08Å; M121-Y125 HydrophobicContact CE-CD2 4.44Å; M121-Y125 HydrophobicContact CE-CE2 3.62Å; M121-Y125 HydrophobicContact CG-CD2 3.77Å; M121-Y125 HydrophobicContact CG-CE2 3.6Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.24Å; M121-Y125 PolarHBondContact O-N 3.5Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å
122K98.9Very high98Very high33 Ų3319.6 Ų19.614%0.1439%0.093CC..Hα-helixtrans-55-47.1174.7-174.1175.4-177.1169.70111.6L98 L101 E102 I106 Y118 L119 K120 D124 Y125 Y126 A148L98-K122 HydrophobicContact CD2-CG 3.9Å; L101-K122 HydrophobicContact CD1-CB 3.99Å; E102-K122 WeakPolarHBondContact OE1-CE 3.31Å; E102-K122 IonicContact OE1-NZ 3.67Å; E102-K122 PolarHBondContact OE1-NZ 2.95Å; I106-K122 HydrophobicContact CD1-CB 4.39Å; I106-K122 HydrophobicContact CD1-CD 3.87Å; Y118-K122 WeakPolarHBondContact O-CB 3.33Å; Y118-K122 PolarHBondContact O-N 3.43Å; L119-K122 WeakPolarHBondContact O-CB 3.38Å; L119-K122 PolarHBondContact O-N 3.31Å; K120-K122 PolarHBondContact O-N 3.14Å; K122-D124 PolarHBondContact O-N 3.46Å; K122-Y125 PolarHBondContact O-N 3.49Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.93Å; K122-Y126 HydrophobicContact CG-CE2 3.78Å; K122-Y126 VanDerWaalsContact O-CD2 3.31Å; K122-Y126 WeakPolarHBondContact O-CD2 3.34Å; K122-Y126 PolarHBondContact O-N 3.42Å; K122-Y126 VanDerWaalsContact O-N 3.08Å; K122-A148 HydrophobicContact CB-CB 3.99Å; K122-A148 HydrophobicContact CD-CB 4.12Å; K122-A148 HydrophobicContact CG-CB 3.88Å
123G98.8Very high97.8Very high0 Ų019 Ų190%09%0.088CC..Hα-helixtrans-57.9-45.1174.400000112.7L119 K120 M121 Y126 R127 S145L119-G123 PolarHBondContact O-N 3.01Å; K120-G123 PolarHBondContact O-N 3.06Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.35Å; G123-Y126 PolarHBondContact O-N 3.35Å; G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.19Å; G123-S145 PolarHBondContact O-OG 3.35Å
124D98.8Very high97.2Very high8 Ų820.2 Ų20.24%0.04311%0.108CC..Hα-helixtrans-59.7-46.9177.6-69.5-34.2000112.4K120 M121 K122 R127 Y128 Y149 N173K120-D124 IonicContact NZ-OD2 2.92Å; K120-D124 PolarHBondContact NZ-OD2 2.89Å; K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.48Å; M121-D124 WeakPolarHBondContact O-CB 3.45Å; M121-D124 PolarHBondContact O-N 3Å; M121-D124 VanDerWaalsContact O-N 3.08Å; K122-D124 PolarHBondContact O-N 3.46Å; D124-R127 WeakPolarHBondContact O-CB 3.2Å; D124-R127 PolarHBondContact O-N 2.82Å; D124-R127 IonicContact OD1-NH2 3.85Å; D124-Y128 HydrophobicContact CB-CE2 4.12Å; D124-Y128 WeakPolarHBondContact O-CD1 3.38Å; D124-Y128 WeakPolarHBondContact O-CD2 3.47Å; D124-Y128 WeakPolarHBondContact O-CE2 3.15Å; D124-Y128 PolarHBondContact O-N 3.47Å; D124-Y149 VanDerWaalsContact CA-OH 3.29Å; D124-Y149 WeakPolarHBondContact CA-OH 3.36Å; D124-Y149 PolarHBondContact N-OH 3.49Å; D124-Y149 PolarHBondContact OD1-OH 3.24Å; D124-N173 VanDerWaalsContact OD1-CB 3.28Å; D124-N173 WeakPolarHBondContact OD1-CB 3.47Å; D124-N173 PolarHBondContact OD1-ND2 3.47Å; D124-N173 PolarHBondContact OD2-ND2 2.87Å
125Y98.7Very high96.6Very high7 Ų723.1 Ų23.13%0.02714%0.138CC..Hα-helixtrans-72.1-35.6-177.9-79.4-86.2000112.9Y48 K49 V52 C94 V97 M121 K122 R127 Y128 L129Y48-Y125 WeakPolarHBondContact CB-OH 3.38Å; Y48-Y125 PolarHBondContact O-OH 3.36Å; Y48-Y125 VanDerWaalsContact O-OH 3.05Å; K49-Y125 PolarHBondContact N-OH 3.25Å; V52-Y125 HydrophobicContact CB-CE1 4.09Å; V52-Y125 HydrophobicContact CG1-CE1 3.99Å; V52-Y125 HydrophobicContact CG2-CE1 4.26Å; C94-Y125 HydrophobicContact CB-CD1 4.06Å; V97-Y125 HydrophobicContact CB-CD1 3.97Å; V97-Y125 HydrophobicContact CB-CD2 4.29Å; V97-Y125 HydrophobicContact CB-CE1 4.03Å; V97-Y125 HydrophobicContact CB-CE2 4.4Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 4.09Å; V97-Y125 HydrophobicContact CG1-CD2 3.5Å; V97-Y125 HydrophobicContact CG1-CE1 4.16Å; V97-Y125 HydrophobicContact CG1-CE2 3.63Å; V97-Y125 HydrophobicContact CG1-CG 3.78Å; V97-Y125 HydrophobicContact CG2-CD1 4.17Å; V97-Y125 HydrophobicContact CG2-CE1 3.73Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å; M121-Y125 HydrophobicContact CE-CD2 4.44Å; M121-Y125 HydrophobicContact CE-CE2 3.62Å; M121-Y125 HydrophobicContact CG-CD2 3.77Å; M121-Y125 HydrophobicContact CG-CE2 3.6Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.24Å; M121-Y125 PolarHBondContact O-N 3.5Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å; K122-Y125 PolarHBondContact O-N 3.49Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-Y128 HydrophobicContact CD1-CD2 4.03Å; Y125-Y128 HydrophobicContact CD1-CE2 4.48Å; Y125-Y128 HydrophobicContact CE1-CD2 4.3Å; Y125-Y128 HydrophobicContact CE1-CE2 4.46Å; Y125-Y128 HydrophobicContact CG-CD2 4.31Å; Y125-Y128 PolarHBondContact O-N 3.08Å; Y125-L129 WeakPolarHBondContact O-CG 3.33Å; Y125-L129 PolarHBondContact O-N 2.81Å
126Y98.7Very high95.7Very high31 Ų3127.2 Ų27.212%0.12216%0.164CC..Hα-helixtrans-66.6-35.2168.3-79.4-63.3000112.5L98 K122 G123 Y128 L129 A130 I141 Q144L98-Y126 HydrophobicContact CD1-CD1 3.92Å; L98-Y126 HydrophobicContact CD1-CD2 4.45Å; L98-Y126 HydrophobicContact CD1-CE1 3.63Å; L98-Y126 HydrophobicContact CD1-CE2 4.18Å; L98-Y126 HydrophobicContact CD1-CG 4.32Å; L98-Y126 HydrophobicContact CD2-CD2 3.72Å; L98-Y126 HydrophobicContact CD2-CE1 4.48Å; L98-Y126 HydrophobicContact CD2-CE2 3.51Å; L98-Y126 HydrophobicContact CD2-CG 4.28Å; L98-Y126 HydrophobicContact CG-CE2 4.46Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.93Å; K122-Y126 HydrophobicContact CG-CE2 3.78Å; K122-Y126 VanDerWaalsContact O-CD2 3.31Å; K122-Y126 WeakPolarHBondContact O-CD2 3.34Å; K122-Y126 PolarHBondContact O-N 3.42Å; K122-Y126 VanDerWaalsContact O-N 3.08Å; G123-Y126 PolarHBondContact O-N 3.35Å; Y126-Y128 VanDerWaalsContact C-N 3.34Å; Y126-Y128 PolarHBondContact O-N 3.47Å; Y126-L129 HydrophobicContact CD1-CD1 4.07Å; Y126-L129 HydrophobicContact CE1-CD1 4.44Å; Y126-L129 WeakPolarHBondContact O-CB 3.5Å; Y126-L129 PolarHBondContact O-N 3.29Å; Y126-A130 WeakPolarHBondContact O-CB 3.38Å; Y126-A130 PolarHBondContact O-N 2.88Å; Y126-I141 HydrophobicContact CD1-CG2 4.17Å; Y126-I141 WeakPolarHBondContact O-CG2 3.45Å; Y126-Q144 HydrophobicContact CD1-CB 3.8Å; Y126-Q144 HydrophobicContact CD2-CB 3.7Å; Y126-Q144 HydrophobicContact CE1-CB 3.79Å; Y126-Q144 HydrophobicContact CE1-CG 4.12Å; Y126-Q144 HydrophobicContact CE2-CB 3.68Å; Y126-Q144 HydrophobicContact CE2-CG 4.36Å; Y126-Q144 HydrophobicContact CG-CB 3.77Å
127R98.4Very high95Very high12 Ų1233.2 Ų33.25%0.04520%0.196CC..Hα-helixtrans-61.4-42.8173.7171167.472.288.53.7111.6G123 D124 Y125 L129 A130 E131 S145 Y149 F177 E180 I181G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.19Å; D124-R127 WeakPolarHBondContact O-CB 3.2Å; D124-R127 PolarHBondContact O-N 2.82Å; D124-R127 IonicContact OD1-NH2 3.85Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.38Å; R127-A130 WeakPolarHBondContact O-CB 3.25Å; R127-A130 PolarHBondContact O-N 3.47Å; R127-E131 PolarHBondContact O-N 3.12Å; R127-S145 PolarHBondContact N-OG 2.91Å; R127-Y149 PolarHBondContact NE-OH 3.45Å; R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.32Å; R127-E180 IonicContact NH1-OE2 3.55Å; R127-E180 PolarHBondContact NH1-OE2 3.34Å; R127-I181 HydrophobicContact CG-CD1 4.16Å; R127-I181 HydrophobicContact CG-CG1 3.75Å
128Y98.2Very high94.8Very high25 Ų2535.9 Ų35.910%0.09821%0.207CC..Hα-helixtrans-64.4-37.2175.5-54.9-32.2000112.3V52 R56 D124 Y125 Y126 E131V52-Y128 HydrophobicContact CG1-CD2 4.01Å; V52-Y128 HydrophobicContact CG1-CE2 3.84Å; V52-Y128 HydrophobicContact CG2-CD2 3.91Å; V52-Y128 HydrophobicContact CG2-CG 4.44Å; R56-Y128 VanDerWaalsContact NE-CD1 3.31Å; D124-Y128 HydrophobicContact CB-CE2 4.12Å; D124-Y128 WeakPolarHBondContact O-CD1 3.38Å; D124-Y128 WeakPolarHBondContact O-CD2 3.47Å; D124-Y128 WeakPolarHBondContact O-CE2 3.15Å; D124-Y128 PolarHBondContact O-N 3.47Å; Y125-Y128 HydrophobicContact CD1-CD2 4.03Å; Y125-Y128 HydrophobicContact CD1-CE2 4.48Å; Y125-Y128 HydrophobicContact CE1-CD2 4.3Å; Y125-Y128 HydrophobicContact CE1-CE2 4.46Å; Y125-Y128 HydrophobicContact CG-CD2 4.31Å; Y125-Y128 PolarHBondContact O-N 3.08Å; Y126-Y128 VanDerWaalsContact C-N 3.34Å; Y126-Y128 PolarHBondContact O-N 3.47Å; Y128-E131 WeakPolarHBondContact O-CB 3.32Å; Y128-E131 PolarHBondContact O-N 3.43Å
129L97.8Very high94.6Very high9 Ų943 Ų435%0.04724%0.238CC..Hα-helixtrans-63.8-42171-72.5174.8000111.7L90 R91 C94 L98 Y125 Y126 R127 E131 V132 A133 I141L90-L129 HydrophobicContact CD2-CD2 4.48Å; R91-L129 HydrophobicContact CB-CD2 4.14Å; R91-L129 HydrophobicContact CG-CD2 3.95Å; C94-L129 HydrophobicContact CB-CD1 4Å; C94-L129 HydrophobicContact CB-CD2 3.65Å; C94-L129 HydrophobicContact CB-CG 3.62Å; L98-L129 HydrophobicContact CD1-CD1 3.63Å; Y125-L129 WeakPolarHBondContact O-CG 3.33Å; Y125-L129 PolarHBondContact O-N 2.81Å; Y126-L129 HydrophobicContact CD1-CD1 4.07Å; Y126-L129 HydrophobicContact CE1-CD1 4.44Å; Y126-L129 WeakPolarHBondContact O-CB 3.5Å; Y126-L129 PolarHBondContact O-N 3.29Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.38Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.95Å; L129-V132 WeakPolarHBondContact O-CG2 3.45Å; L129-V132 PolarHBondContact O-N 3.08Å; L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.23Å; L129-A133 PolarHBondContact O-N 2.96Å; L129-I141 HydrophobicContact CB-CD1 4.42Å; L129-I141 HydrophobicContact CB-CG2 3.61Å
130A97Very high94.4Very high0 Ų044.8 Ų44.80%026%0.258CS..Hα-helixtrans-64.9-31.6-179.700000112.7Y126 R127 V132 K138 I141 V142 I181Y126-A130 WeakPolarHBondContact O-CB 3.38Å; Y126-A130 PolarHBondContact O-N 2.88Å; R127-A130 WeakPolarHBondContact O-CB 3.25Å; R127-A130 PolarHBondContact O-N 3.47Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 2.79Å; A130-K138 WeakPolarHBondContact O-CE 3.39Å; A130-I141 HydrophobicContact CB-CG2 3.85Å; A130-V142 HydrophobicContact CB-CG2 3.85Å; A130-I181 HydrophobicContact CB-CD1 4.33Å; A130-I181 HydrophobicContact CB-CG2 3.94Å
131E95.5Very high94.3Very high37 Ų3744.7 Ų44.717%0.17326%0.258CS..Hα-helixtrans-60.6-36.7176-175.8176.1-163.800111.9R56 W59 R60 R127 Y128 L129 I181R56-E131 IonicContact CZ-OE2 2.86Å; R56-E131 IonicContact NE-OE2 3.52Å; R56-E131 PolarHBondContact NE-OE2 3.3Å; R56-E131 IonicContact NH2-OE1 2.61Å; R56-E131 IonicContact NH2-OE2 2.95Å; R56-E131 PolarHBondContact NH2-OE2 3.35Å; W59-E131 HydrophobicContact CH2-CG 4.05Å; W59-E131 HydrophobicContact CZ3-CG 3.73Å; R60-E131 IonicContact CZ-OE1 3.68Å; R60-E131 IonicContact NE-OE1 3.52Å; R60-E131 PolarHBondContact NE-OE1 3.22Å; R60-E131 IonicContact NH2-OE1 2.82Å; R60-E131 PolarHBondContact NH2-OE1 3.18Å; R60-E131 IonicContact NH2-OE2 3.32Å; R127-E131 PolarHBondContact O-N 3.12Å; Y128-E131 WeakPolarHBondContact O-CB 3.32Å; Y128-E131 PolarHBondContact O-N 3.43Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.95Å; E131-I181 HydrophobicContact CB-CD1 4.48Å
132V94.8Very high94.3Very high11 Ų1145 Ų457%0.06726%0.261CS..Hα-helixtrans-105.3-5.6-177.6-540000114.1W59 E87 L90 L129 A130W59-V132 HydrophobicContact CD2-CG1 3.86Å; W59-V132 HydrophobicContact CE3-CG1 4.28Å; W59-V132 HydrophobicContact CG-CG1 4.27Å; W59-V132 HydrophobicContact CH2-CG1 4.33Å; W59-V132 HydrophobicContact CZ2-CB 4.41Å; W59-V132 HydrophobicContact CZ2-CG1 3.92Å; E87-V132 HydrophobicContact CG-CB 4.06Å; E87-V132 HydrophobicContact CG-CG1 4.36Å; L90-V132 HydrophobicContact CD1-CG1 4.06Å; L90-V132 HydrophobicContact CD2-CG1 4.37Å; L90-V132 HydrophobicContact CD2-CG2 3.89Å; L129-V132 WeakPolarHBondContact O-CG2 3.45Å; L129-V132 PolarHBondContact O-N 3.08Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 2.79Å
133A92.8Very high94.2Very high17 Ų1747.1 Ų47.114%0.1427%0.274CS..  trans-73.6143.2-178.900000111.6L129 K138 I141L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.23Å; L129-A133 PolarHBondContact O-N 2.96Å; A133-K138 HydrophobicContact CB-CB 3.94Å; A133-K138 HydrophobicContact CB-CG 4.12Å; A133-I141 HydrophobicContact CB-CD1 3.76Å
134A84.3Confident94.2Very high84 Ų8450.3 Ų50.369%0.69429%0.288SS*.  trans-125.5155.7174.400000110.5
135G84.6Confident94.2Very high64 Ų6449.9 Ų49.966%0.6629%0.286SS*.THydrogen-bonded Turntrans67.7-153.8176.400000114.3D137 K138G135-D137 VanDerWaalsContact C-N 3.3Å; G135-D137 PolarHBondContact O-N 3.12Å; G135-K138 WeakPolarHBondContact O-CB 3.41Å; G135-K138 PolarHBondContact O-N 3.04Å
136D80.1Confident94.2Very high158 Ų15852.6 Ų52.685%0.84530%0.299SS*.THydrogen-bonded Turntrans-67.3-28.4-170.3-65.3-30.7000113.5K138 K139D136-K138 PolarHBondContact O-N 3.16Å; D136-K139 PolarHBondContact O-N 3.33Å
137D84.8Confident94.2Very high125 Ų12556.7 Ų56.767%0.66832%0.319SS*.Hα-helixtrans-61.4-28.1178.1-69.6-19.1000112.2G135 K139 G140 I141G135-D137 VanDerWaalsContact C-N 3.3Å; G135-D137 PolarHBondContact O-N 3.12Å; D137-K139 VanDerWaalsContact C-N 3.29Å; D137-K139 PolarHBondContact O-N 3.39Å; D137-G140 PolarHBondContact O-N 2.76Å; D137-I141 WeakPolarHBondContact O-CG1 3.14Å; D137-I141 PolarHBondContact O-N 3.05Å
138K92.9Very high94.2Very high85 Ų8556.3 Ų56.337%0.3732%0.319SS..Hα-helixtrans-59.1-40.9-178.2-174.4171.3-174.6166.60111.7A130 A133 G135 D136 G140 I141 V142A130-K138 WeakPolarHBondContact O-CE 3.39Å; A133-K138 HydrophobicContact CB-CB 3.94Å; A133-K138 HydrophobicContact CB-CG 4.12Å; G135-K138 WeakPolarHBondContact O-CB 3.41Å; G135-K138 PolarHBondContact O-N 3.04Å; D136-K138 PolarHBondContact O-N 3.16Å; K138-G140 PolarHBondContact O-N 3.36Å; K138-I141 PolarHBondContact O-N 2.79Å; K138-V142 HydrophobicContact CG-CG2 4.14Å; K138-V142 WeakPolarHBondContact O-CB 3.44Å; K138-V142 WeakPolarHBondContact O-CG2 3.37Å; K138-V142 PolarHBondContact O-N 3.37Å
139K94.1Very high94.2Very high150 Ų15055.1 Ų55.165%0.65231%0.314SS*.Hα-helixtrans-62.3-47.3-177.3-175.2178177.5-178.60111.6D136 D137 I141 V142 D143D136-K139 PolarHBondContact O-N 3.33Å; D137-K139 VanDerWaalsContact C-N 3.29Å; D137-K139 PolarHBondContact O-N 3.39Å; K139-I141 VanDerWaalsContact C-N 3.32Å; K139-I141 PolarHBondContact O-N 2.7Å; K139-V142 PolarHBondContact O-N 2.71Å; K139-D143 VanDerWaalsContact O-CG 3.28Å; K139-D143 PolarHBondContact O-N 3.1Å
140G95.4Very high94.3Very high40 Ų4057.9 Ų57.941%0.41233%0.327SS..Hα-helixtrans-61.9-39.7178.300000112.6D137 K138 D143 Q144D137-G140 PolarHBondContact O-N 2.76Å; K138-G140 PolarHBondContact O-N 3.36Å; G140-D143 PolarHBondContact O-N 3.49Å; G140-Q144 VanDerWaalsContact O-CG 3.32Å; G140-Q144 WeakPolarHBondContact O-CG 3.46Å; G140-Q144 PolarHBondContact O-N 3.26Å
141I97.5Very high94.4Very high34 Ų3461.6 Ų61.617%0.17434%0.344CS..Hα-helixtrans-65.2-43.5176.7-65.9167.2000111.2Y126 L129 A130 A133 D137 K138 K139 Q144 S145Y126-I141 HydrophobicContact CD1-CG2 4.17Å; Y126-I141 WeakPolarHBondContact O-CG2 3.45Å; L129-I141 HydrophobicContact CB-CD1 4.42Å; L129-I141 HydrophobicContact CB-CG2 3.61Å; A130-I141 HydrophobicContact CB-CG2 3.85Å; A133-I141 HydrophobicContact CB-CD1 3.76Å; D137-I141 WeakPolarHBondContact O-CG1 3.14Å; D137-I141 PolarHBondContact O-N 3.05Å; K138-I141 PolarHBondContact O-N 2.79Å; K139-I141 VanDerWaalsContact C-N 3.32Å; K139-I141 PolarHBondContact O-N 2.7Å; I141-Q144 PolarHBondContact O-N 3.37Å; I141-S145 PolarHBondContact O-N 3.17Å
142V98Very high94.5Very high15 Ų1559.8 Ų59.89%0.09134%0.336CS..Hα-helixtrans-61.8-45.2176.91710000110.9A130 K138 K139 Q144 S145 Q146 F177 I181 L182A130-V142 HydrophobicContact CB-CG2 3.85Å; K138-V142 HydrophobicContact CG-CG2 4.14Å; K138-V142 WeakPolarHBondContact O-CB 3.44Å; K138-V142 WeakPolarHBondContact O-CG2 3.37Å; K138-V142 PolarHBondContact O-N 3.37Å; K139-V142 PolarHBondContact O-N 2.71Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 3.49Å; V142-S145 WeakPolarHBondContact O-CB 3.35Å; V142-S145 PolarHBondContact O-N 2.93Å; V142-Q146 PolarHBondContact O-N 3.1Å; V142-F177 HydrophobicContact CG1-CE2 4.32Å; V142-F177 HydrophobicContact CG1-CZ 3.99Å; V142-I181 HydrophobicContact CG1-CG2 4.27Å; V142-I181 HydrophobicContact CG2-CG2 3.64Å; V142-L182 HydrophobicContact CG1-CD2 3.48Å; V142-L182 VanDerWaalsContact CG1-CD2 3.48Å
143D97.6Very high94.7Very high78 Ų7860.4 Ų60.442%0.41734%0.338SS..Hα-helixtrans-61.1-41.6178.2-70-18.4000111.3K139 G140 Q146 Q147K139-D143 VanDerWaalsContact O-CG 3.28Å; K139-D143 PolarHBondContact O-N 3.1Å; G140-D143 PolarHBondContact O-N 3.49Å; D143-Q146 PolarHBondContact O-N 3.33Å; D143-Q147 WeakPolarHBondContact O-CB 3.39Å; D143-Q147 PolarHBondContact O-N 2.98Å
144Q98.3Very high95Very high66 Ų6663.4 Ų63.431%0.30835%0.349SS..Hα-helixtrans-64.3-41.5175.6-71.8-60.2-47.900112.6Y126 G140 I141 V142 Q147 A148Y126-Q144 HydrophobicContact CD1-CB 3.8Å; Y126-Q144 HydrophobicContact CD2-CB 3.7Å; Y126-Q144 HydrophobicContact CE1-CB 3.79Å; Y126-Q144 HydrophobicContact CE1-CG 4.12Å; Y126-Q144 HydrophobicContact CE2-CB 3.68Å; Y126-Q144 HydrophobicContact CE2-CG 4.36Å; Y126-Q144 HydrophobicContact CG-CB 3.77Å; G140-Q144 VanDerWaalsContact O-CG 3.32Å; G140-Q144 WeakPolarHBondContact O-CG 3.46Å; G140-Q144 PolarHBondContact O-N 3.26Å; I141-Q144 PolarHBondContact O-N 3.37Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 3.49Å; Q144-Q147 PolarHBondContact O-N 3.15Å; Q144-A148 WeakPolarHBondContact O-CB 3.47Å; Q144-A148 PolarHBondContact O-N 2.96Å
145S98.6Very high95.6Very high0 Ų060.9 Ų60.90%032%0.323CS..Hα-helixtrans-60.7-49.2175.4-172.80000110.9G123 R127 I141 V142 Q147 A148 Y149 F177G123-S145 PolarHBondContact O-OG 3.35Å; R127-S145 PolarHBondContact N-OG 2.91Å; I141-S145 PolarHBondContact O-N 3.17Å; V142-S145 WeakPolarHBondContact O-CB 3.35Å; V142-S145 PolarHBondContact O-N 2.93Å; S145-Q147 PolarHBondContact O-N 3.5Å; S145-A148 PolarHBondContact O-N 3.35Å; S145-Y149 WeakPolarHBondContact O-CD2 3.45Å; S145-Y149 PolarHBondContact O-N 2.93Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.39Å; S145-F177 WeakPolarHBondContact OG-CD2 3.34Å; S145-F177 WeakPolarHBondContact OG-CE2 3.33Å
146Q98.6Very high96.3Very high64 Ų6457.9 Ų57.930%0.29929%0.292SS..Hα-helixtrans-61.9-43.8179.4-173.7172.6-000112V142 D143 A148 Y149 Q150 F177V142-Q146 PolarHBondContact O-N 3.1Å; D143-Q146 PolarHBondContact O-N 3.33Å; Q146-A148 PolarHBondContact O-N 3.43Å; Q146-Y149 PolarHBondContact O-N 2.98Å; Q146-Q150 WeakPolarHBondContact O-CB 3.09Å; Q146-Q150 PolarHBondContact O-N 3Å; Q146-F177 HydrophobicContact CB-CE1 3.81Å; Q146-F177 HydrophobicContact CB-CZ 3.82Å; Q146-F177 HydrophobicContact CG-CE1 4.15Å
147Q98.7Very high97.1Very high116 Ų11655 Ų5554%0.54227%0.272SS..Hα-helixtrans-60.3-46.6178.6-176.5179.67.400111.4D143 Q144 S145 Q150 E151D143-Q147 WeakPolarHBondContact O-CB 3.39Å; D143-Q147 PolarHBondContact O-N 2.98Å; Q144-Q147 PolarHBondContact O-N 3.15Å; S145-Q147 PolarHBondContact O-N 3.5Å; Q147-Q150 PolarHBondContact O-N 2.98Å; Q147-E151 WeakPolarHBondContact O-CB 3.45Å; Q147-E151 PolarHBondContact O-N 2.85Å
148A98.8Very high97.7Very high4 Ų456.4 Ų56.43%0.03327%0.272CS..Hα-helixtrans-63.7-43.518000000112.1K122 Q144 S145 Q146 A152K122-A148 HydrophobicContact CB-CB 3.99Å; K122-A148 HydrophobicContact CD-CB 4.12Å; K122-A148 HydrophobicContact CG-CB 3.88Å; Q144-A148 WeakPolarHBondContact O-CB 3.47Å; Q144-A148 PolarHBondContact O-N 2.96Å; S145-A148 PolarHBondContact O-N 3.35Å; Q146-A148 PolarHBondContact O-N 3.43Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 3.37Å
149Y98.9Very high97.9Very high0 Ų058.7 Ų58.70%028%0.284CS..Hα-helixtrans-64.9-42.2175.2-74.8-53.2000112.5D124 R127 S145 Q146 A152 F153 L170 N173 F174 F177D124-Y149 VanDerWaalsContact CA-OH 3.29Å; D124-Y149 WeakPolarHBondContact CA-OH 3.36Å; D124-Y149 PolarHBondContact N-OH 3.49Å; D124-Y149 PolarHBondContact OD1-OH 3.24Å; R127-Y149 PolarHBondContact NE-OH 3.45Å; S145-Y149 WeakPolarHBondContact O-CD2 3.45Å; S145-Y149 PolarHBondContact O-N 2.93Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.39Å; Q146-Y149 PolarHBondContact O-N 2.98Å; Y149-A152 PolarHBondContact O-N 3.18Å; Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.38Å; Y149-F153 PolarHBondContact O-N 3.38Å; Y149-L170 HydrophobicContact CD1-CD1 3.68Å; Y149-L170 HydrophobicContact CE1-CD1 4.4Å; Y149-N173 HydrophobicContact CE1-CB 4.16Å; Y149-F174 VanDerWaalsContact CB-CD2 3.43Å; Y149-F174 VanDerWaalsContact CB-CE2 3.48Å; Y149-F174 HydrophobicContact CD1-CB 4.04Å; Y149-F174 HydrophobicContact CD1-CD2 4.42Å; Y149-F174 HydrophobicContact CD1-CG 4.29Å; Y149-F174 AromaticContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.27Å; Y149-F174 HydrophobicContact CE1-CB 4.5Å; Y149-F174 HydrophobicContact CE2-CD2 4.42Å; Y149-F174 HydrophobicContact CG-CB 4.07Å; Y149-F174 HydrophobicContact CG-CD1 4.48Å; Y149-F174 AromaticContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CE2 4.06Å; Y149-F174 AromaticContact CG-CG 3.84Å; Y149-F174 HydrophobicContact CG-CG 3.84Å; Y149-F177 HydrophobicContact CD2-CB 4.17Å; Y149-F177 HydrophobicContact CD2-CD1 4.25Å; Y149-F177 HydrophobicContact CD2-CG 4.06Å; Y149-F177 HydrophobicContact CE2-CB 3.68Å; Y149-F177 HydrophobicContact CE2-CD1 4.49Å; Y149-F177 HydrophobicContact CE2-CD2 4.14Å; Y149-F177 AromaticContact CE2-CG 3.86Å; Y149-F177 HydrophobicContact CE2-CG 3.86Å
150Q98.7Very high98Very high67 Ų6752.3 Ų52.331%0.31326%0.257SS..Hα-helixtrans-64.1-44.8178.5-169.766.547.300111.1Q146 Q147 A152 F153 E154Q146-Q150 WeakPolarHBondContact O-CB 3.09Å; Q146-Q150 PolarHBondContact O-N 3Å; Q147-Q150 PolarHBondContact O-N 2.98Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.19Å; Q150-F153 PolarHBondContact O-N 3.37Å; Q150-F153 VanDerWaalsContact O-N 3.13Å; Q150-E154 PolarHBondContact NE2-OE1 2.98Å; Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 2.89Å
151E98.6Very high98Very high78 Ų7855.8 Ų55.836%0.36426%0.262SS..Hα-helixtrans-60.7-45176.8-168.8-174.4164.300111.2K115 L119 Q147 F153 E154 I155K115-E151 IonicContact NZ-OE1 2.78Å; L119-E151 HydrophobicContact CD1-CB 4.11Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; L119-E151 HydrophobicContact CD2-CB 4.45Å; L119-E151 HydrophobicContact CD2-CG 4.44Å; Q147-E151 WeakPolarHBondContact O-CB 3.45Å; Q147-E151 PolarHBondContact O-N 2.85Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.04Å; E151-E154 PolarHBondContact O-N 3.27Å; E151-I155 HydrophobicContact CG-CD1 4.22Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.12Å
152A98.8Very high98Very high0 Ų054.9 Ų54.90%026%0.259CS..Hα-helixtrans-58.4-41.9174.500000111.4V116 L119 A148 Y149 Q150 I155 S156 L170V116-A152 HydrophobicContact CG1-CB 4.34Å; L119-A152 HydrophobicContact CB-CB 3.66Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 3.37Å; Y149-A152 PolarHBondContact O-N 3.18Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.19Å; A152-I155 PolarHBondContact O-N 3.24Å; A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.32Å; A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 PolarHBondContact O-OG 2.88Å; A152-L170 VanDerWaalsContact C-CD2 3.48Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.39Å
153F98.4Very high97.9Very high24 Ų2454.2 Ų54.211%0.10526%0.255CS..Hα-helixtrans-68.6-43.9-175.2-166.2-114.4000111.6Y149 Q150 E151 I155 S156 K157 L170 F174 L191Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.38Å; Y149-F153 PolarHBondContact O-N 3.38Å; Q150-F153 PolarHBondContact O-N 3.37Å; Q150-F153 VanDerWaalsContact O-N 3.13Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.04Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.31Å; F153-S156 WeakPolarHBondContact CA-OG 3.45Å; F153-S156 PolarHBondContact O-N 3.1Å; F153-S156 PolarHBondContact O-OG 3.43Å; F153-K157 HydrophobicContact CD1-CD 4.08Å; F153-K157 HydrophobicContact CE1-CD 3.8Å; F153-K157 HydrophobicContact CE1-CG 4.49Å; F153-K157 HydrophobicContact CZ-CD 4.22Å; F153-K157 PolarHBondContact O-N 3.05Å; F153-L170 HydrophobicContact CB-CD2 4.15Å; F153-L170 HydrophobicContact CD2-CD2 4.17Å; F153-F174 HydrophobicContact CB-CE1 4.49Å; F153-L191 HydrophobicContact CE1-CD1 4.23Å; F153-L191 HydrophobicContact CE2-CD1 3.63Å; F153-L191 HydrophobicContact CZ-CD1 3.39Å
154E98.3Very high97.9Very high80 Ų8052.8 Ų52.837%0.37425%0.245SC..Hα-helixtrans-60.7-40.5175.9-69.2-51.8135.200112.8Q150 E151 K158Q150-E154 PolarHBondContact NE2-OE1 2.98Å; Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 2.89Å; E151-E154 PolarHBondContact O-N 3.27Å; E154-K158 WeakPolarHBondContact O-CG 3.2Å
155I98.5Very high97.8Very high31 Ų3150.7 Ų50.716%0.15924%0.238CC..Hα-helixtrans-69.6-47176.2-61.8164.4000109.7A112 K115 V116 L119 E151 A152 F153 K157 K158 E159A112-I155 HydrophobicContact CB-CG2 4.2Å; K115-I155 HydrophobicContact CD-CD1 3.77Å; K115-I155 HydrophobicContact CG-CD1 4.03Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; L119-I155 HydrophobicContact CD1-CD1 3.74Å; E151-I155 HydrophobicContact CG-CD1 4.22Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.12Å; A152-I155 PolarHBondContact O-N 3.24Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.31Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.35Å; I155-K158 PolarHBondContact O-N 3.45Å; I155-K158 VanDerWaalsContact O-N 3.09Å; I155-E159 HydrophobicContact CG2-CG 4.24Å; I155-E159 PolarHBondContact O-N 3.22Å
156S98.3Very high97.7Very high0 Ų051.8 Ų51.80%024%0.243CC..Hα-helixtrans-61.6-35.6-177.175.10000113.1A152 F153 K158 M160A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.32Å; A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 PolarHBondContact O-OG 2.88Å; F153-S156 WeakPolarHBondContact CA-OG 3.45Å; F153-S156 PolarHBondContact O-N 3.1Å; F153-S156 PolarHBondContact O-OG 3.43Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 2.95Å; S156-M160 WeakPolarHBondContact O-CA 3.22Å; S156-M160 VanDerWaalsContact O-CB 3.28Å; S156-M160 WeakPolarHBondContact O-CB 3.48Å; S156-M160 PolarHBondContact O-N 3.04Å
157K97.2Very high97.7Very high97 Ų9749.9 Ų49.942%0.42223%0.233SC..Hα-helixtrans-66.5-31.5177-83.8-174.9161.4-179.70113.3F153 I155F153-K157 HydrophobicContact CD1-CD 4.08Å; F153-K157 HydrophobicContact CE1-CD 3.8Å; F153-K157 HydrophobicContact CE1-CG 4.49Å; F153-K157 HydrophobicContact CZ-CD 4.22Å; F153-K157 PolarHBondContact O-N 3.05Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.35Å
158K97.3Very high97.7Very high156 Ų15644.4 Ų44.468%0.67821%0.208SC*.Hα-helixtrans-86.1-38.1-177.4-67.7173.3-172.5174.50112.3E154 I155 S156E154-K158 WeakPolarHBondContact O-CG 3.2Å; I155-K158 PolarHBondContact O-N 3.45Å; I155-K158 VanDerWaalsContact O-N 3.09Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 2.95Å
159E97.5Very high97.7Very high133 Ų13344.7 Ų44.762%0.62121%0.211SC*.Hα-helixtrans-111.7-6.6-165-57.3-62.6145.400113.9A112 I155A112-E159 HydrophobicContact CB-CB 3.72Å; A112-E159 HydrophobicContact CB-CG 3.89Å; I155-E159 HydrophobicContact CG2-CG 4.24Å; I155-E159 PolarHBondContact O-N 3.22Å
160M96.3Very high97.7Very high15 Ų1544.7 Ų44.77%0.07421%0.211CC..SBendtrans-133.2138.8-171.6-47.8175.971.400111.6E113 V116 S156 H164 I166 R167E113-M160 HydrophobicContact CG-CE 4.38Å; V116-M160 HydrophobicContact CB-SD 4.03Å; V116-M160 HydrophobicContact CG1-SD 4Å; V116-M160 HydrophobicContact CG2-SD 3.86Å; S156-M160 WeakPolarHBondContact O-CA 3.22Å; S156-M160 VanDerWaalsContact O-CB 3.28Å; S156-M160 WeakPolarHBondContact O-CB 3.48Å; S156-M160 PolarHBondContact O-N 3.04Å; M160-H164 HydrophobicContact CB-CB 4.23Å; M160-H164 HydrophobicContact CE-CB 4.15Å; M160-H164 WeakPolarHBondContact CE-CE1 3.3Å; M160-H164 WeakPolarHBondContact CE-ND1 3.21Å; M160-I166 HydrophobicContact CE-CB 3.78Å; M160-I166 HydrophobicContact CE-CG2 3.9Å; M160-R167 HydrophobicContact CB-CB 4.35Å; M160-R167 HydrophobicContact CE-CB 4.46Å; M160-R167 PolarHBondContact O-NH1 3.43Å; M160-R167 HydrophobicContact SD-CB 4.49Å
161Q96Very high97.7Very high113 Ų11341.6 Ų41.653%0.52820%0.196SC..  trans-63.4147.9173.6-69.7179.9-13.600111.2T163 H164 R167Q161-T163 PolarHBondContact O-N 3.01Å; Q161-T163 VanDerWaalsContact O-N 3.13Å; Q161-H164 WeakPolarHBondContact O-CB 3.46Å; Q161-H164 PolarHBondContact O-N 2.74Å; Q161-R167 WeakPolarHBondContact O-CD 3.43Å
162P97.2Very high97.7Very high16 Ų1638.8 Ų38.810%0.10418%0.184CC..THydrogen-bonded Turntrans-51.7-32.4175.5-28.736.4000114.8H164 L168 E198 E202P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 2.93Å; P162-L168 WeakPolarHBondContact O-CG 3.26Å; P162-E198 HydrophobicContact CB-CB 3.84Å; P162-E198 HydrophobicContact CG-CB 4.27Å; P162-E202 WeakPolarHBondContact CD-OE2 3.43Å
163T96.4Very high97.7Very high1 Ų140.2 Ų40.21%0.00619%0.191CC..THydrogen-bonded Turntrans-80.9-5.1179.152.60000114Q161 A199 E202 S214Q161-T163 PolarHBondContact O-N 3.01Å; Q161-T163 VanDerWaalsContact O-N 3.13Å; T163-A199 HydrophobicContact CG2-CB 4.35Å; T163-A199 WeakPolarHBondContact CG2-O 3.29Å; T163-E202 HydrophobicContact CG2-CB 3.96Å; T163-E202 WeakPolarHBondContact CG2-O 3.28Å; T163-S214 WeakPolarHBondContact O-CB 3.48Å; T163-S214 PolarHBondContact O-OG 3.02Å
164H96.1Very high97.7Very high48 Ų4839.1 Ų39.122%0.22219%0.187CC..  trans-65.8128-176.4-170.2-56.4000111.3E113 M160 Q161 P162 I166 R167 L168E113-H164 IonicContact OE2-NE2 2.75Å; M160-H164 HydrophobicContact CB-CB 4.23Å; M160-H164 HydrophobicContact CE-CB 4.15Å; M160-H164 WeakPolarHBondContact CE-CE1 3.3Å; M160-H164 WeakPolarHBondContact CE-ND1 3.21Å; Q161-H164 WeakPolarHBondContact O-CB 3.46Å; Q161-H164 PolarHBondContact O-N 2.74Å; P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 2.93Å; H164-I166 VanDerWaalsContact C-N 3.35Å; H164-I166 PolarHBondContact ND1-N 2.92Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 3.06Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 PolarHBondContact O-N 3.49Å; H164-L168 PolarHBondContact O-N 3.18Å
165P96.6Very high97.7Very high22 Ų2235.3 Ų35.314%0.14317%0.169CC..Hα-helixtrans-52.6-44.3-175.6-27.429.8000114.7L168 G169 D213 S214 I217P165-L168 PolarHBondContact O-N 2.83Å; P165-G169 PolarHBondContact O-N 3.05Å; P165-D213 HydrophobicContact CB-CB 4.19Å; P165-D213 HydrophobicContact CG-CB 4.14Å; P165-S214 WeakPolarHBondContact CD-OG 3.22Å; P165-S214 WeakPolarHBondContact CG-OG 3.44Å; P165-I217 HydrophobicContact CB-CD1 4.17Å; P165-I217 VanDerWaalsContact O-CD1 3.29Å; P165-I217 WeakPolarHBondContact O-CD1 3.44Å
166I97.6Very high97.7Very high22 Ų2234.7 Ų34.711%0.11317%0.166CC..Hα-helixtrans-64.4-39.5177.2-68.9168.6000112.9E113 V116 F117 M160 H164 G169 L170E113-I166 HydrophobicContact CG-CD1 3.38Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.27Å; V116-I166 HydrophobicContact CB-CG2 4.27Å; V116-I166 HydrophobicContact CG1-CG2 3.72Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CD2-CD1 3.81Å; F117-I166 HydrophobicContact CD2-CG1 4.1Å; M160-I166 HydrophobicContact CE-CB 3.78Å; M160-I166 HydrophobicContact CE-CG2 3.9Å; H164-I166 VanDerWaalsContact C-N 3.35Å; H164-I166 PolarHBondContact ND1-N 2.92Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 3.06Å; I166-G169 PolarHBondContact O-N 3.48Å; I166-L170 WeakPolarHBondContact O-CB 3.42Å; I166-L170 PolarHBondContact O-N 3.38Å
167R98.1Very high97.7Very high24 Ų2434.7 Ų34.79%0.09117%0.166CC..Hα-helixtrans-66.6-45176.6177.3176.3167.7171.3-5.8110.8M160 Q161 H164 L170 A171 E198M160-R167 HydrophobicContact CB-CB 4.35Å; M160-R167 HydrophobicContact CE-CB 4.46Å; M160-R167 PolarHBondContact O-NH1 3.43Å; M160-R167 HydrophobicContact SD-CB 4.49Å; Q161-R167 WeakPolarHBondContact O-CD 3.43Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 PolarHBondContact O-N 3.49Å; R167-L170 WeakPolarHBondContact O-CB 3.45Å; R167-L170 PolarHBondContact O-N 3.03Å; R167-A171 PolarHBondContact O-N 3.38Å; R167-E198 IonicContact CZ-OE2 3.59Å; R167-E198 IonicContact NH2-OE2 2.86Å; R167-E198 PolarHBondContact NH2-OE2 3.38Å
168L98.5Very high97.8Very high2 Ų231.3 Ų31.31%0.0115%0.151CC..Hα-helixtrans-60.3-45.9173.9-75.1171.5000111.8P162 H164 P165 L170 A171 L172 A199 I217 M218 L221P162-L168 WeakPolarHBondContact O-CG 3.26Å; H164-L168 PolarHBondContact O-N 3.18Å; P165-L168 PolarHBondContact O-N 2.83Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.49Å; L168-A171 PolarHBondContact O-N 3.4Å; L168-L172 PolarHBondContact O-N 3.24Å; L168-A199 HydrophobicContact CD1-CB 4.5Å; L168-A199 HydrophobicContact CD2-CB 3.72Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.46Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L168-M218 HydrophobicContact CD1-CG 3.91Å; L168-M218 HydrophobicContact CD1-SD 4.37Å; L168-M218 HydrophobicContact CD2-CG 4.1Å; L168-L221 HydrophobicContact CD2-CD1 3.98Å
169G98.4Very high97.8Very high9 Ų926.4 Ų26.49%0.09313%0.129CC..Hα-helixtrans-64.8-32.7178.500000112.7K120 P165 I166 N173K120-G169 WeakPolarHBondContact CE-O 3.46Å; P165-G169 PolarHBondContact O-N 3.05Å; I166-G169 PolarHBondContact O-N 3.48Å; G169-N173 PolarHBondContact O-N 3.25Å; G169-N173 VanDerWaalsContact O-N 3.1Å
170L98.8Very high97.8Very high0 Ų024.9 Ų24.90%012%0.122CC..Hα-helixtrans-64.8-49.4170.8169.963.1000111.1V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174V116-L170 HydrophobicContact CG1-CD2 4.06Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.12Å; K120-L170 HydrophobicContact CG-CB 4.31Å; K120-L170 HydrophobicContact CG-CD1 4Å; Y149-L170 HydrophobicContact CD1-CD1 3.68Å; Y149-L170 HydrophobicContact CE1-CD1 4.4Å; A152-L170 VanDerWaalsContact C-CD2 3.48Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.39Å; F153-L170 HydrophobicContact CB-CD2 4.15Å; F153-L170 HydrophobicContact CD2-CD2 4.17Å; I166-L170 WeakPolarHBondContact O-CB 3.42Å; I166-L170 PolarHBondContact O-N 3.38Å; R167-L170 WeakPolarHBondContact O-CB 3.45Å; R167-L170 PolarHBondContact O-N 3.03Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.49Å; L170-L172 VanDerWaalsContact C-N 3.31Å; L170-L172 PolarHBondContact O-N 3.43Å; L170-N173 PolarHBondContact O-N 3.23Å; L170-F174 VanDerWaalsContact O-CB 3.24Å; L170-F174 WeakPolarHBondContact O-CB 3.47Å; L170-F174 PolarHBondContact O-N 2.87Å
171A98.8Very high97.8Very high2 Ų225.6 Ų25.62%0.01713%0.125CC..Hα-helixtrans-59.7-42.517800000111.9R167 L168 S175 A195R167-A171 PolarHBondContact O-N 3.38Å; L168-A171 PolarHBondContact O-N 3.4Å; A171-S175 VanDerWaalsContact O-CB 3.29Å; A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 3.27Å; A171-S175 PolarHBondContact O-OG 3.39Å; A171-A195 HydrophobicContact CB-CB 3.44Å; A171-A195 VanDerWaalsContact CB-CB 3.44Å
172L98.7Very high97.9Very high20 Ų2022.4 Ų22.411%0.10511%0.112CC..Hα-helixtrans-56-56.3174.5177.664.5000110.9L168 L170 F174 S175 V176 I217 L220 L221 N224L168-L172 PolarHBondContact O-N 3.24Å; L170-L172 VanDerWaalsContact C-N 3.31Å; L170-L172 PolarHBondContact O-N 3.43Å; L172-F174 PolarHBondContact O-N 3.09Å; L172-S175 PolarHBondContact O-N 3.14Å; L172-S175 PolarHBondContact O-OG 2.93Å; L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 2.9Å; L172-V176 VanDerWaalsContact O-N 3.14Å; L172-I217 HydrophobicContact CB-CG2 4.28Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.92Å; L172-L220 HydrophobicContact CD2-CD1 3.92Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.23Å; L172-L221 HydrophobicContact CD1-CD2 3.98Å; L172-L221 HydrophobicContact CD1-CG 4.19Å; L172-N224 VanDerWaalsContact CD1-ND2 3.32Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.46Å
173N98.6Very high97.8Very high29 Ų2928.4 Ų28.416%0.15514%0.143CC..Hα-helixtrans-68.7-35.8-175.7-7614.1000113.2K120 D124 Y149 G169 L170 V176 F177K120-N173 WeakPolarHBondContact CE-ND2 3.43Å; K120-N173 PolarHBondContact NZ-ND2 3.42Å; D124-N173 VanDerWaalsContact OD1-CB 3.28Å; D124-N173 WeakPolarHBondContact OD1-CB 3.47Å; D124-N173 PolarHBondContact OD1-ND2 3.47Å; D124-N173 PolarHBondContact OD2-ND2 2.87Å; Y149-N173 HydrophobicContact CE1-CB 4.16Å; G169-N173 PolarHBondContact O-N 3.25Å; G169-N173 VanDerWaalsContact O-N 3.1Å; L170-N173 PolarHBondContact O-N 3.23Å; N173-V176 PolarHBondContact O-N 3.3Å; N173-F177 PolarHBondContact O-N 3.47Å
174F98.8Very high97.9Very high2 Ų229.5 Ų29.51%0.00915%0.151CC..Hα-helixtrans-72-33.5178.3-167.7-167.6000111.7Y149 F153 L170 L172 F177 Y178 L191Y149-F174 VanDerWaalsContact CB-CD2 3.43Å; Y149-F174 VanDerWaalsContact CB-CE2 3.48Å; Y149-F174 HydrophobicContact CD1-CB 4.04Å; Y149-F174 HydrophobicContact CD1-CD2 4.42Å; Y149-F174 HydrophobicContact CD1-CG 4.29Å; Y149-F174 AromaticContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.27Å; Y149-F174 HydrophobicContact CE1-CB 4.5Å; Y149-F174 HydrophobicContact CE2-CD2 4.42Å; Y149-F174 HydrophobicContact CG-CB 4.07Å; Y149-F174 HydrophobicContact CG-CD1 4.48Å; Y149-F174 AromaticContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CE2 4.06Å; Y149-F174 AromaticContact CG-CG 3.84Å; Y149-F174 HydrophobicContact CG-CG 3.84Å; F153-F174 HydrophobicContact CB-CE1 4.49Å; L170-F174 VanDerWaalsContact O-CB 3.24Å; L170-F174 WeakPolarHBondContact O-CB 3.47Å; L170-F174 PolarHBondContact O-N 2.87Å; L172-F174 PolarHBondContact O-N 3.09Å; F174-F177 HydrophobicContact CD2-CB 4.25Å; F174-F177 AromaticContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CG 4.39Å; F174-F177 AromaticContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CE1 4.11Å; F174-F177 WeakPolarHBondContact O-CB 3.47Å; F174-F177 PolarHBondContact O-N 3.08Å; F174-Y178 HydrophobicContact CD1-CE2 4.16Å; F174-Y178 HydrophobicContact CD2-CD2 4.02Å; F174-Y178 AromaticContact CD2-CE2 3.67Å; F174-Y178 HydrophobicContact CD2-CE2 3.67Å; F174-Y178 AromaticContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE2-CD2 4.15Å; F174-Y178 HydrophobicContact CE2-CE1 4.31Å; F174-Y178 AromaticContact CE2-CE2 3.44Å; F174-Y178 HydrophobicContact CE2-CE2 3.44Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.44Å; F174-Y178 AromaticContact CE2-CZ 3.54Å; F174-Y178 HydrophobicContact CG-CD2 4.44Å; F174-Y178 HydrophobicContact CG-CE2 4.03Å; F174-Y178 AromaticContact CZ-CE2 3.62Å; F174-Y178 HydrophobicContact CZ-CE2 3.62Å; F174-Y178 AromaticContact CZ-CZ 3.58Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.36Å; F174-Y178 VanDerWaalsContact O-CD2 3.23Å; F174-Y178 WeakPolarHBondContact O-CD2 3.37Å; F174-Y178 PolarHBondContact O-N 3.37Å; F174-L191 HydrophobicContact CB-CD2 3.81Å; F174-L191 HydrophobicContact CD1-CD2 3.75Å; F174-L191 HydrophobicContact CG-CD2 3.82Å
175S98.6Very high97.9Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-64.1-41.2171.3700000111.8A171 L172 F177 Y178 Y179 A188 W228A171-S175 VanDerWaalsContact O-CB 3.29Å; A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 3.27Å; A171-S175 PolarHBondContact O-OG 3.39Å; L172-S175 PolarHBondContact O-N 3.14Å; L172-S175 PolarHBondContact O-OG 2.93Å; S175-F177 VanDerWaalsContact C-N 3.31Å; S175-F177 PolarHBondContact O-N 3.48Å; S175-Y178 PolarHBondContact O-N 3.2Å; S175-Y179 PolarHBondContact O-N 3.42Å; S175-A188 WeakPolarHBondContact CB-O 3.38Å; S175-A188 VanDerWaalsContact O-CB 3.25Å; S175-A188 WeakPolarHBondContact O-CB 3.38Å; S175-W228 WeakPolarHBondContact OG-CH2 3.4Å
176V98.4Very high97.9Very high17 Ų1733.7 Ų33.710%0.10317%0.17CC..Hα-helixtrans-62-39173.8175.20000111.2L172 N173 Y179 E180 W228L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 2.9Å; L172-V176 VanDerWaalsContact O-N 3.14Å; N173-V176 PolarHBondContact O-N 3.3Å; V176-Y179 PolarHBondContact O-N 3.35Å; V176-E180 HydrophobicContact CG1-CG 3.9Å; V176-E180 VanDerWaalsContact CG1-OE2 3.28Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.43Å; V176-E180 WeakPolarHBondContact O-CB 3.42Å; V176-E180 PolarHBondContact O-N 3Å; V176-W228 HydrophobicContact CG2-CH2 3.96Å; V176-W228 HydrophobicContact CG2-CZ2 3.98Å
177F98.7Very high97.9Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-59.2-47.8172.5170.8-102.4000112.4R127 V142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.32Å; V142-F177 HydrophobicContact CG1-CE2 4.32Å; V142-F177 HydrophobicContact CG1-CZ 3.99Å; S145-F177 WeakPolarHBondContact OG-CD2 3.34Å; S145-F177 WeakPolarHBondContact OG-CE2 3.33Å; Q146-F177 HydrophobicContact CB-CE1 3.81Å; Q146-F177 HydrophobicContact CB-CZ 3.82Å; Q146-F177 HydrophobicContact CG-CE1 4.15Å; Y149-F177 HydrophobicContact CD2-CB 4.17Å; Y149-F177 HydrophobicContact CD2-CD1 4.25Å; Y149-F177 HydrophobicContact CD2-CG 4.06Å; Y149-F177 HydrophobicContact CE2-CB 3.68Å; Y149-F177 HydrophobicContact CE2-CD1 4.49Å; Y149-F177 HydrophobicContact CE2-CD2 4.14Å; Y149-F177 AromaticContact CE2-CG 3.86Å; Y149-F177 HydrophobicContact CE2-CG 3.86Å; N173-F177 PolarHBondContact O-N 3.47Å; F174-F177 HydrophobicContact CD2-CB 4.25Å; F174-F177 AromaticContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CG 4.39Å; F174-F177 AromaticContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CE1 4.11Å; F174-F177 WeakPolarHBondContact O-CB 3.47Å; F174-F177 PolarHBondContact O-N 3.08Å; S175-F177 VanDerWaalsContact C-N 3.31Å; S175-F177 PolarHBondContact O-N 3.48Å; F177-Y179 VanDerWaalsContact C-N 3.27Å; F177-Y179 PolarHBondContact O-N 2.83Å; F177-I181 HydrophobicContact CD2-CB 3.75Å; F177-I181 HydrophobicContact CD2-CG1 3.81Å; F177-I181 HydrophobicContact CD2-CG2 4.11Å; F177-I181 HydrophobicContact CE2-CB 3.84Å; F177-I181 HydrophobicContact CE2-CG1 4.26Å; F177-I181 HydrophobicContact CE2-CG2 3.69Å; F177-I181 WeakPolarHBondContact O-CB 3.34Å; F177-I181 PolarHBondContact O-N 2.91Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.32Å; F177-L182 HydrophobicContact CE1-CD1 3.31Å; F177-L182 HydrophobicContact CE1-CD2 4.44Å; F177-L182 HydrophobicContact CE1-CG 3.64Å; F177-L182 HydrophobicContact CE2-CG 4.5Å; F177-L182 HydrophobicContact CZ-CD1 3.85Å; F177-L182 HydrophobicContact CZ-CD2 4.14Å; F177-L182 HydrophobicContact CZ-CG 3.74Å; F177-L182 PolarHBondContact O-N 3.24Å
178Y98.5Very high97.9Very high26 Ų2637.2 Ų37.210%0.10219%0.185CC..Hα-helixtrans-58.9-40.8177-79.4-60.3000112F174 S175 L182 N183 S184 K187 L191F174-Y178 HydrophobicContact CD1-CE2 4.16Å; F174-Y178 HydrophobicContact CD2-CD2 4.02Å; F174-Y178 AromaticContact CD2-CE2 3.67Å; F174-Y178 HydrophobicContact CD2-CE2 3.67Å; F174-Y178 AromaticContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE2-CD2 4.15Å; F174-Y178 HydrophobicContact CE2-CE1 4.31Å; F174-Y178 AromaticContact CE2-CE2 3.44Å; F174-Y178 HydrophobicContact CE2-CE2 3.44Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.44Å; F174-Y178 AromaticContact CE2-CZ 3.54Å; F174-Y178 HydrophobicContact CG-CD2 4.44Å; F174-Y178 HydrophobicContact CG-CE2 4.03Å; F174-Y178 AromaticContact CZ-CE2 3.62Å; F174-Y178 HydrophobicContact CZ-CE2 3.62Å; F174-Y178 AromaticContact CZ-CZ 3.58Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.36Å; F174-Y178 VanDerWaalsContact O-CD2 3.23Å; F174-Y178 WeakPolarHBondContact O-CD2 3.37Å; F174-Y178 PolarHBondContact O-N 3.37Å; S175-Y178 PolarHBondContact O-N 3.2Å; Y178-L182 HydrophobicContact CD1-CB 4.49Å; Y178-L182 HydrophobicContact CD1-CD1 3.59Å; Y178-L182 HydrophobicContact CE1-CD1 3.72Å; Y178-L182 CarbonylContact O-C 3.59Å; Y178-N183 PolarHBondContact O-N 3Å; Y178-S184 PolarHBondContact O-N 3.49Å; Y178-K187 HydrophobicContact CD1-CB 3.91Å; Y178-K187 HydrophobicContact CD1-CD 4.05Å; Y178-K187 HydrophobicContact CD2-CB 4.45Å; Y178-K187 HydrophobicContact CE1-CB 4.37Å; Y178-K187 HydrophobicContact CE1-CD 3.97Å; Y178-K187 HydrophobicContact CG-CB 3.98Å; Y178-L191 HydrophobicContact CD2-CD2 4Å; Y178-L191 HydrophobicContact CE2-CD2 3.91Å
179Y98.1Very high97.9Very high53 Ų5338.1 Ų38.121%0.20819%0.192CC..Hα-helixtrans-70.7-62.4179.5-166.8-98.1000112S175 V176 F177 N183 P185 A188 W228 D231S175-Y179 PolarHBondContact O-N 3.42Å; V176-Y179 PolarHBondContact O-N 3.35Å; F177-Y179 VanDerWaalsContact C-N 3.27Å; F177-Y179 PolarHBondContact O-N 2.83Å; Y179-N183 WeakPolarHBondContact O-CA 3.2Å; Y179-N183 PolarHBondContact O-N 3.45Å; Y179-P185 HydrophobicContact CD2-CB 3.97Å; Y179-P185 HydrophobicContact CE2-CB 3.9Å; Y179-A188 HydrophobicContact CD2-CB 4.35Å; Y179-W228 AromaticContact CD1-CD1 3.81Å; Y179-W228 AromaticContact CD1-CE2 3.95Å; Y179-W228 HydrophobicContact CD1-CZ2 4.47Å; Y179-W228 AromaticContact CD1-NE1 3.4Å; Y179-W228 HydrophobicContact CD2-CB 4.07Å; Y179-W228 AromaticContact CD2-CD1 3.58Å; Y179-W228 AromaticContact CD2-CD2 3.77Å; Y179-W228 HydrophobicContact CD2-CD2 3.77Å; Y179-W228 AromaticContact CD2-CE2 3.91Å; Y179-W228 HydrophobicContact CD2-CE3 4.49Å; Y179-W228 AromaticContact CD2-CG 3.55Å; Y179-W228 HydrophobicContact CD2-CG 3.55Å; Y179-W228 AromaticContact CD2-NE1 3.79Å; Y179-W228 AromaticContact CE1-CD1 3.49Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.49Å; Y179-W228 HydrophobicContact CE1-CG 4.4Å; Y179-W228 AromaticContact CE1-NE1 3.48Å; Y179-W228 HydrophobicContact CE2-CB 3.68Å; Y179-W228 AromaticContact CE2-CD1 3.27Å; Y179-W228 HydrophobicContact CE2-CD2 4.16Å; Y179-W228 AromaticContact CE2-CG 3.43Å; Y179-W228 HydrophobicContact CE2-CG 3.43Å; Y179-W228 VanDerWaalsContact CE2-CG 3.43Å; Y179-W228 AromaticContact CE2-NE1 3.88Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 HydrophobicContact CG-CD2 4.02Å; Y179-W228 AromaticContact CG-CE2 3.67Å; Y179-W228 HydrophobicContact CG-CG 4.12Å; Y179-W228 HydrophobicContact CG-CZ2 4.15Å; Y179-W228 AromaticContact CG-NE1 3.56Å; Y179-W228 AromaticContact CZ-CD1 3.21Å; Y179-W228 AromaticContact CZ-CG 3.88Å; Y179-W228 AromaticContact CZ-NE1 3.73Å; Y179-D231 PolarHBondContact OH-OD2 3.03Å
180E96.1Very high97.8Very high102 Ų10241.1 Ų41.148%0.47721%0.212SC..Hα-helixtrans-77.9-30.8-167.9-63.5-177.6163.200113.6R127 V176R127-E180 IonicContact NH1-OE2 3.55Å; R127-E180 PolarHBondContact NH1-OE2 3.34Å; V176-E180 HydrophobicContact CG1-CG 3.9Å; V176-E180 VanDerWaalsContact CG1-OE2 3.28Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.43Å; V176-E180 WeakPolarHBondContact O-CB 3.42Å; V176-E180 PolarHBondContact O-N 3Å
181I97.1Very high97.8Very high29 Ų2942 Ų4215%0.14922%0.216CC..THydrogen-bonded Turntrans-106.2-45.1-172.1-53.9-55.8000112.3R127 A130 E131 V142 F177R127-I181 HydrophobicContact CG-CD1 4.16Å; R127-I181 HydrophobicContact CG-CG1 3.75Å; A130-I181 HydrophobicContact CB-CD1 4.33Å; A130-I181 HydrophobicContact CB-CG2 3.94Å; E131-I181 HydrophobicContact CB-CD1 4.48Å; V142-I181 HydrophobicContact CG1-CG2 4.27Å; V142-I181 HydrophobicContact CG2-CG2 3.64Å; F177-I181 HydrophobicContact CD2-CB 3.75Å; F177-I181 HydrophobicContact CD2-CG1 3.81Å; F177-I181 HydrophobicContact CD2-CG2 4.11Å; F177-I181 HydrophobicContact CE2-CB 3.84Å; F177-I181 HydrophobicContact CE2-CG1 4.26Å; F177-I181 HydrophobicContact CE2-CG2 3.69Å; F177-I181 WeakPolarHBondContact O-CB 3.34Å; F177-I181 PolarHBondContact O-N 2.91Å
182L96.9Very high97.8Very high46 Ų4642 Ų4224%0.24122%0.216CC..THydrogen-bonded Turntrans-90.3-2.7-180-68-176000113.6V142 F177 Y178 S184V142-L182 HydrophobicContact CG1-CD2 3.48Å; V142-L182 VanDerWaalsContact CG1-CD2 3.48Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.32Å; F177-L182 HydrophobicContact CE1-CD1 3.31Å; F177-L182 HydrophobicContact CE1-CD2 4.44Å; F177-L182 HydrophobicContact CE1-CG 3.64Å; F177-L182 HydrophobicContact CE2-CG 4.5Å; F177-L182 HydrophobicContact CZ-CD1 3.85Å; F177-L182 HydrophobicContact CZ-CD2 4.14Å; F177-L182 HydrophobicContact CZ-CG 3.74Å; F177-L182 PolarHBondContact O-N 3.24Å; Y178-L182 HydrophobicContact CD1-CB 4.49Å; Y178-L182 HydrophobicContact CD1-CD1 3.59Å; Y178-L182 HydrophobicContact CE1-CD1 3.72Å; Y178-L182 CarbonylContact O-C 3.59Å; L182-S184 PolarHBondContact O-N 3.44Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 2.79Å
183N96.1Very high97.8Very high142 Ų14246.4 Ų46.476%0.75923%0.234SC*.  trans46.445.1-177.4-164.552.6000111.9Y178 Y179 P185Y178-N183 PolarHBondContact O-N 3Å; Y179-N183 WeakPolarHBondContact O-CA 3.2Å; Y179-N183 PolarHBondContact O-N 3.45Å; N183-P185 VanDerWaalsContact C-CD 3.44Å; N183-P185 WeakPolarHBondContact O-CD 3.49Å
184S97.4Very high97.8Very high24 Ų2447.8 Ų47.817%0.16824%0.244CC..  trans-121.769.5-174.2-64.90000109.9Y178 L182 E186 K187 A188Y178-S184 PolarHBondContact O-N 3.49Å; L182-S184 PolarHBondContact O-N 3.44Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 2.79Å; S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 PolarHBondContact O-N 3.39Å; S184-K187 PolarHBondContact O-N 3.46Å; S184-K187 VanDerWaalsContact O-N 3.16Å; S184-A188 PolarHBondContact O-N 3.32Å
185P96.7Very high97.7Very high22 Ų2248.2 Ų48.214%0.14325%0.247CC..Hα-helixtrans-60.2-33.7-174.124.4-33.7000113Y179 N183 K187 A188 C189 T232Y179-P185 HydrophobicContact CD2-CB 3.97Å; Y179-P185 HydrophobicContact CE2-CB 3.9Å; N183-P185 VanDerWaalsContact C-CD 3.44Å; N183-P185 WeakPolarHBondContact O-CD 3.49Å; P185-K187 PolarHBondContact O-N 3.31Å; P185-A188 PolarHBondContact O-N 2.93Å; P185-C189 WeakPolarHBondContact O-CB 3.35Å; P185-C189 PolarHBondContact O-N 3.16Å; P185-C189 PolarHBondContact O-SG 3.14Å; P185-C189 VanDerWaalsContact O-SG 3.33Å; P185-T232 HydrophobicContact CB-CG2 4.14Å; P185-T232 HydrophobicContact CG-CG2 4.21Å
186E96.4Very high97.7Very high136 Ų13649.9 Ų49.964%0.63626%0.255SS*.Hα-helixtrans-64.7-41.6178.5-54.275.9-166.100111.1S184 S190S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 PolarHBondContact O-N 3.39Å; E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.01Å
187K97.7Very high97.7Very high120 Ų12052.4 Ų52.452%0.52227%0.268SS..Hα-helixtrans-68.6-41.1176.1-69.9-176.9-179.4170.90111.3Y178 S184 P185 S190 L191Y178-K187 HydrophobicContact CD1-CB 3.91Å; Y178-K187 HydrophobicContact CD1-CD 4.05Å; Y178-K187 HydrophobicContact CD2-CB 4.45Å; Y178-K187 HydrophobicContact CE1-CB 4.37Å; Y178-K187 HydrophobicContact CE1-CD 3.97Å; Y178-K187 HydrophobicContact CG-CB 3.98Å; S184-K187 PolarHBondContact O-N 3.46Å; S184-K187 VanDerWaalsContact O-N 3.16Å; P185-K187 PolarHBondContact O-N 3.31Å; K187-S190 PolarHBondContact O-N 3.04Å; K187-L191 WeakPolarHBondContact O-CB 3.49Å; K187-L191 PolarHBondContact O-N 3.27Å
188A98.1Very high97.6Very high0 Ų055.6 Ų55.60%028%0.283CS..Hα-helixtrans-59.1-52.5176.500000111S175 Y179 S184 P185 L191 A192 W228S175-A188 WeakPolarHBondContact CB-O 3.38Å; S175-A188 VanDerWaalsContact O-CB 3.25Å; S175-A188 WeakPolarHBondContact O-CB 3.38Å; Y179-A188 HydrophobicContact CD2-CB 4.35Å; S184-A188 PolarHBondContact O-N 3.32Å; P185-A188 PolarHBondContact O-N 2.93Å; A188-L191 PolarHBondContact O-N 3.01Å; A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.19Å; A188-W228 HydrophobicContact CB-CE3 4.08Å; A188-W228 HydrophobicContact CB-CZ3 3.97Å
189C98.1Very high97.6Very high21 Ų2154.4 Ų54.414%0.14228%0.278CS..Hα-helixtrans-63.6-44178.5-70.80000112P185 L191 A192 K193 L225P185-C189 WeakPolarHBondContact O-CB 3.35Å; P185-C189 PolarHBondContact O-N 3.16Å; P185-C189 PolarHBondContact O-SG 3.14Å; P185-C189 VanDerWaalsContact O-SG 3.33Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 3.22Å; C189-A192 PolarHBondContact O-N 3.17Å; C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 2.93Å; C189-L225 HydrophobicContact CB-CD2 4.12Å; C189-L225 WeakPolarHBondContact O-CD2 3.41Å
190S98Very high97.5Very high73 Ų7355.9 Ų55.951%0.5129%0.289SS..Hα-helixtrans-59.2-44.3177.2-177.20000111.8E186 K187 T194E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.01Å; K187-S190 PolarHBondContact O-N 3.04Å; S190-T194 WeakPolarHBondContact O-CB 3.48Å; S190-T194 PolarHBondContact O-N 3.24Å; S190-T194 PolarHBondContact O-OG1 3.09Å
191L98.4Very high97.5Very high19 Ų1955.2 Ų55.210%0.09930%0.301CS..Hα-helixtrans-67.3-49.7179.5178.162.2000111.5F153 F174 Y178 K187 A188 C189 K193 T194 A195F153-L191 HydrophobicContact CE1-CD1 4.23Å; F153-L191 HydrophobicContact CE2-CD1 3.63Å; F153-L191 HydrophobicContact CZ-CD1 3.39Å; F174-L191 HydrophobicContact CB-CD2 3.81Å; F174-L191 HydrophobicContact CD1-CD2 3.75Å; F174-L191 HydrophobicContact CG-CD2 3.82Å; Y178-L191 HydrophobicContact CD2-CD2 4Å; Y178-L191 HydrophobicContact CE2-CD2 3.91Å; K187-L191 WeakPolarHBondContact O-CB 3.49Å; K187-L191 PolarHBondContact O-N 3.27Å; A188-L191 PolarHBondContact O-N 3.01Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 3.22Å; L191-K193 PolarHBondContact O-N 2.89Å; L191-T194 PolarHBondContact O-N 3.26Å; L191-A195 PolarHBondContact O-N 3.41Å
192A98.4Very high97.4Very high0 Ų057.4 Ų57.40%031%0.31CS..Hα-helixtrans-62.8-42.7-178.800000111.8A188 C189 A195 F196 L221 L225 W228A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.19Å; C189-A192 PolarHBondContact O-N 3.17Å; A192-A195 PolarHBondContact O-N 3.33Å; A192-F196 WeakPolarHBondContact O-CB 3.28Å; A192-F196 PolarHBondContact O-N 3.31Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CG 3.92Å; A192-W228 HydrophobicContact CB-CZ3 4.37Å
193K98.1Very high97.2Very high113 Ų11357.1 Ų57.149%0.49131%0.309SS..Hα-helixtrans-64-46177.2-175.1178.4-175.3-61.10111.6C189 L191 A195 F196 D197 L225C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 2.93Å; L191-K193 PolarHBondContact O-N 2.89Å; K193-A195 PolarHBondContact O-N 3.01Å; K193-F196 PolarHBondContact O-N 3.43Å; K193-D197 WeakPolarHBondContact CG-OD2 3.42Å; K193-D197 IonicContact NZ-OD2 2.7Å; K193-D197 PolarHBondContact NZ-OD2 3.35Å; K193-D197 WeakPolarHBondContact O-CB 3.36Å; K193-D197 VanDerWaalsContact O-CG 3.22Å; K193-D197 PolarHBondContact O-N 3.49Å; K193-L225 HydrophobicContact CB-CD1 4.18Å; K193-L225 HydrophobicContact CB-CD2 4.07Å
194T98.4Very high96.9Very high58 Ų5858.5 Ų58.536%0.35632%0.316SS..Hα-helixtrans-59.4-47.9177.9-57.80000111S190 L191 F196 D197 E198S190-T194 WeakPolarHBondContact O-CB 3.48Å; S190-T194 PolarHBondContact O-N 3.24Å; S190-T194 PolarHBondContact O-OG1 3.09Å; L191-T194 PolarHBondContact O-N 3.26Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 3.22Å; T194-D197 PolarHBondContact O-N 2.92Å; T194-E198 HydrophobicContact CG2-CG 4.26Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.49Å; T194-E198 WeakPolarHBondContact O-CB 3.21Å; T194-E198 VanDerWaalsContact O-CG 3.26Å; T194-E198 WeakPolarHBondContact O-CG 3.27Å; T194-E198 PolarHBondContact O-N 3.31Å
195A98.3Very high96.5Very high11 Ų1161.7 Ų61.79%0.09134%0.335CS..Hα-helixtrans-63.3-39.6179.200000112.6A171 L191 A192 K193 A199 L221A171-A195 HydrophobicContact CB-CB 3.44Å; A171-A195 VanDerWaalsContact CB-CB 3.44Å; L191-A195 PolarHBondContact O-N 3.41Å; A192-A195 PolarHBondContact O-N 3.33Å; K193-A195 PolarHBondContact O-N 3.01Å; A195-A199 VanDerWaalsContact O-CB 3.27Å; A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.31Å; A195-A199 VanDerWaalsContact O-N 3.08Å; A195-L221 HydrophobicContact CB-CD1 4.36Å
196F98Very high96Very high36 Ų3661.9 Ų61.916%0.15833%0.334CS..Hα-helixtrans-65.9-47.4176.7-175.7-99.3000112A192 K193 T194 A199 I200 M218 L221 R222A192-F196 WeakPolarHBondContact O-CB 3.28Å; A192-F196 PolarHBondContact O-N 3.31Å; K193-F196 PolarHBondContact O-N 3.43Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 3.22Å; F196-A199 PolarHBondContact O-N 3.26Å; F196-I200 HydrophobicContact CD1-CD1 3.63Å; F196-I200 HydrophobicContact CD1-CG1 4.35Å; F196-I200 HydrophobicContact CE1-CD1 3.08Å; F196-I200 HydrophobicContact CE1-CG1 4.14Å; F196-I200 HydrophobicContact CE2-CD1 4.19Å; F196-I200 HydrophobicContact CG-CD1 4.39Å; F196-I200 HydrophobicContact CZ-CD1 3.41Å; F196-I200 VanDerWaalsContact CZ-CD1 3.41Å; F196-I200 HydrophobicContact CZ-CG1 4.28Å; F196-I200 WeakPolarHBondContact O-CB 3.26Å; F196-I200 WeakPolarHBondContact O-CG1 3.35Å; F196-I200 PolarHBondContact O-N 2.89Å; F196-M218 HydrophobicContact CD2-CB 4.08Å; F196-M218 WeakPolarHBondContact CD2-O 3.4Å; F196-M218 HydrophobicContact CE2-CB 4.08Å; F196-M218 WeakPolarHBondContact CE2-O 3.32Å; F196-L221 HydrophobicContact CD2-CB 4.42Å; F196-R222 HydrophobicContact CD2-CB 4.41Å; F196-R222 HydrophobicContact CE2-CB 3.86Å; F196-R222 HydrophobicContact CE2-CG 4.48Å; F196-R222 HydrophobicContact CZ-CB 4.13Å; F196-R222 HydrophobicContact CZ-CG 4.25Å
197D98.1Very high95.6Very high70 Ų7058.3 Ų58.337%0.37432%0.324SS..Hα-helixtrans-65-43.8-179.6-69.1-15.4000111.4K193 T194 A199 I200 A201K193-D197 WeakPolarHBondContact CG-OD2 3.42Å; K193-D197 IonicContact NZ-OD2 2.7Å; K193-D197 PolarHBondContact NZ-OD2 3.35Å; K193-D197 WeakPolarHBondContact O-CB 3.36Å; K193-D197 VanDerWaalsContact O-CG 3.22Å; K193-D197 PolarHBondContact O-N 3.49Å; T194-D197 PolarHBondContact O-N 2.92Å; D197-A199 PolarHBondContact O-N 3.22Å; D197-I200 PolarHBondContact O-N 2.96Å; D197-A201 PolarHBondContact O-N 3.2Å; D197-A201 VanDerWaalsContact O-N 3.1Å
198E97.6Very high95.1Very high67 Ų6761.4 Ų61.431%0.31334%0.341SS..Hα-helixtrans-61.2-43.1175.4-72.1177.4174.900111.5P162 R167 T194 A201 E202P162-E198 HydrophobicContact CB-CB 3.84Å; P162-E198 HydrophobicContact CG-CB 4.27Å; R167-E198 IonicContact CZ-OE2 3.59Å; R167-E198 IonicContact NH2-OE2 2.86Å; R167-E198 PolarHBondContact NH2-OE2 3.38Å; T194-E198 HydrophobicContact CG2-CG 4.26Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.49Å; T194-E198 WeakPolarHBondContact O-CB 3.21Å; T194-E198 VanDerWaalsContact O-CG 3.26Å; T194-E198 WeakPolarHBondContact O-CG 3.27Å; T194-E198 PolarHBondContact O-N 3.31Å; E198-A201 PolarHBondContact O-N 3.49Å; E198-E202 PolarHBondContact O-N 3.42Å
199A97Very high94.5Very high0 Ų069.8 Ų69.80%038%0.38CS..Hα-helixtrans-72.5-34.3179.900000113.1T163 L168 A195 F196 D197 A201 E202 L203 M218T163-A199 HydrophobicContact CG2-CB 4.35Å; T163-A199 WeakPolarHBondContact CG2-O 3.29Å; L168-A199 HydrophobicContact CD1-CB 4.5Å; L168-A199 HydrophobicContact CD2-CB 3.72Å; A195-A199 VanDerWaalsContact O-CB 3.27Å; A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.31Å; A195-A199 VanDerWaalsContact O-N 3.08Å; F196-A199 PolarHBondContact O-N 3.26Å; D197-A199 PolarHBondContact O-N 3.22Å; A199-A201 VanDerWaalsContact C-N 3.32Å; A199-E202 CarbonylContact O-C 3.42Å; A199-E202 PolarHBondContact O-N 3.33Å; A199-L203 WeakPolarHBondContact O-CA 3.34Å; A199-L203 WeakPolarHBondContact O-CB 3.5Å; A199-L203 PolarHBondContact O-N 3.01Å; A199-M218 HydrophobicContact CB-CE 3.87Å; A199-M218 HydrophobicContact CB-CG 4.3Å; A199-M218 HydrophobicContact CB-SD 3.94Å
200I96.3Very high94.1Very high85 Ų8570.4 Ų70.444%0.43639%0.385SS..Hα-helixtrans-61.2-43.9172.1-79.8-176000110.8F196 D197 E202 L203 M218F196-I200 HydrophobicContact CD1-CD1 3.63Å; F196-I200 HydrophobicContact CD1-CG1 4.35Å; F196-I200 HydrophobicContact CE1-CD1 3.08Å; F196-I200 HydrophobicContact CE1-CG1 4.14Å; F196-I200 HydrophobicContact CE2-CD1 4.19Å; F196-I200 HydrophobicContact CG-CD1 4.39Å; F196-I200 HydrophobicContact CZ-CD1 3.41Å; F196-I200 VanDerWaalsContact CZ-CD1 3.41Å; F196-I200 HydrophobicContact CZ-CG1 4.28Å; F196-I200 WeakPolarHBondContact O-CB 3.26Å; F196-I200 WeakPolarHBondContact O-CG1 3.35Å; F196-I200 PolarHBondContact O-N 2.89Å; D197-I200 PolarHBondContact O-N 2.96Å; I200-E202 PolarHBondContact O-N 2.77Å; I200-L203 WeakPolarHBondContact O-CB 3.24Å; I200-L203 PolarHBondContact O-N 2.9Å; I200-M218 HydrophobicContact CB-CE 4.4Å; I200-M218 HydrophobicContact CG1-CE 3.49Å; I200-M218 VanDerWaalsContact CG1-CE 3.49Å
201A96.4Very high93.8Very high88 Ų8872.7 Ų72.773%0.72738%0.383SS*.Hα-helixtrans-62.7-24.8-177.400000113.3D197 E198 A199D197-A201 PolarHBondContact O-N 3.2Å; D197-A201 VanDerWaalsContact O-N 3.1Å; E198-A201 PolarHBondContact O-N 3.49Å; A199-A201 VanDerWaalsContact C-N 3.32Å
202E95.3Very high93.6Very high75 Ų7579.4 Ų79.435%0.3541%0.411SS..THydrogen-bonded Turntrans-113.610.5-179.6-65.2-173.3-152.800113P162 T163 E198 A199 I200 D204 T205P162-E202 WeakPolarHBondContact CD-OE2 3.43Å; T163-E202 HydrophobicContact CG2-CB 3.96Å; T163-E202 WeakPolarHBondContact CG2-O 3.28Å; E198-E202 PolarHBondContact O-N 3.42Å; A199-E202 CarbonylContact O-C 3.42Å; A199-E202 PolarHBondContact O-N 3.33Å; I200-E202 PolarHBondContact O-N 2.77Å; E202-D204 PolarHBondContact O-N 2.94Å; E202-T205 PolarHBondContact O-N 3.41Å; E202-T205 PolarHBondContact O-OG1 2.95Å
203L92.3Very high93.4Very high40 Ų4083.6 Ų83.621%0.20943%0.433CS..G310 helixtrans-61.2-33.8-173-170.962.1000112.7A199 I200 T205 L206 T215 M218A199-L203 WeakPolarHBondContact O-CA 3.34Å; A199-L203 WeakPolarHBondContact O-CB 3.5Å; A199-L203 PolarHBondContact O-N 3.01Å; I200-L203 WeakPolarHBondContact O-CB 3.24Å; I200-L203 PolarHBondContact O-N 2.9Å; L203-T205 PolarHBondContact O-N 2.94Å; L203-L206 HydrophobicContact CD1-CD2 3.97Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.29Å; L203-L206 PolarHBondContact O-N 3.36Å; L203-T215 HydrophobicContact CD1-CG2 4.16Å; L203-M218 HydrophobicContact CD1-CE 4.31Å; L203-M218 HydrophobicContact CD1-SD 3.93Å; L203-M218 HydrophobicContact CD2-CE 4.49Å
204D90.6Very high93.3Very high171 Ų17178.2 Ų78.291%0.91441%0.41SS*.G310 helixtrans-66.9-15.2179.3-68.1-24.8000113.4E202E202-D204 PolarHBondContact O-N 2.94Å
205T87.4Confident93.2Very high91 Ų9177.5 Ų77.556%0.55841%0.406SS*.G310 helixtrans-91.2-1.9178.375.10000113.1E202 L203E202-T205 PolarHBondContact O-N 3.41Å; E202-T205 PolarHBondContact O-OG1 2.95Å; L203-T205 PolarHBondContact O-N 2.94Å
206L87.9Confident93.2Very high26 Ų2681.8 Ų81.814%0.13643%0.427CS..  trans-75.3137.7-171.9-167.656.1000111.8L203 Y211L203-L206 HydrophobicContact CD1-CD2 3.97Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.29Å; L203-L206 PolarHBondContact O-N 3.36Å; L206-Y211 HydrophobicContact CB-CD2 4.45Å; L206-Y211 HydrophobicContact CD2-CD2 4.08Å; L206-Y211 HydrophobicContact CG-CD2 4.48Å
207S87.2Confident93.2Very high60 Ų6081.4 Ų81.442%0.4243%0.426SS..  trans-70.4151.8174.1690000111.5E209 S210 Y211S207-E209 PolarHBondContact O-N 3.08Å; S207-S210 PolarHBondContact O-N 2.78Å; S207-S210 VanDerWaalsContact O-N 3.15Å; S207-S210 PolarHBondContact OG-N 2.92Å; S207-Y211 WeakPolarHBondContact O-CB 3.37Å; S207-Y211 PolarHBondContact O-N 3.28Å
208E87.1Confident93.2Very high185 Ų18578.5 Ų78.586%0.86441%0.41SS*.Hα-helixtrans-56.7-35.6176.9-169.5176.3-179.700112.2Y211E208-Y211 PolarHBondContact O-N 3.36Å
209E86.7Confident93.2Very high176 Ų17678.3 Ų78.382%0.82241%0.41SS*.Hα-helixtrans-63.5-41.4178.4-174.2177.7-170.800112.7S207S207-E209 PolarHBondContact O-N 3.08Å
210S89.7Confident93.3Very high35 Ų3581.9 Ų81.925%0.24543%0.428CS..Hα-helixtrans-90.9-11.5-179.2-66.80000113.6S207 K212 D213 S214S207-S210 PolarHBondContact O-N 2.78Å; S207-S210 VanDerWaalsContact O-N 3.15Å; S207-S210 PolarHBondContact OG-N 2.92Å; S210-K212 PolarHBondContact O-N 3.45Å; S210-D213 PolarHBondContact O-N 3.45Å; S210-S214 WeakPolarHBondContact O-CB 3.38Å; S210-S214 PolarHBondContact O-N 2.75Å; S210-S214 PolarHBondContact O-OG 3.36Å
211Y91.4Very high93.4Very high120 Ų12077.9 Ų77.947%0.47141%0.407SS..Hα-helixtrans-57.2-49.3-173.1-169.7-91.2000112.5L206 S207 E208 T215L206-Y211 HydrophobicContact CB-CD2 4.45Å; L206-Y211 HydrophobicContact CD2-CD2 4.08Å; L206-Y211 HydrophobicContact CG-CD2 4.48Å; S207-Y211 WeakPolarHBondContact O-CB 3.37Å; S207-Y211 PolarHBondContact O-N 3.28Å; E208-Y211 PolarHBondContact O-N 3.36Å; Y211-T215 HydrophobicContact CD1-CG2 4.17Å; Y211-T215 HydrophobicContact CE1-CG2 3.87Å; Y211-T215 HydrophobicContact CE2-CG2 4.24Å; Y211-T215 HydrophobicContact CG-CG2 4.49Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.29Å; Y211-T215 WeakPolarHBondContact O-CG2 3.4Å; Y211-T215 PolarHBondContact O-N 3.45Å; Y211-T215 PolarHBondContact O-OG1 3.49Å
212K93.8Very high93.4Very high160 Ų16079.2 Ų79.270%0.69639%0.394SS*.Hα-helixtrans-62.7-47.2-177.4-175.3-176.8175.4-172.80112.4S210 T215 L216S210-K212 PolarHBondContact O-N 3.45Å; K212-T215 PolarHBondContact O-OG1 3.45Å; K212-L216 WeakPolarHBondContact O-CB 3.4Å; K212-L216 PolarHBondContact O-N 2.86Å; K212-L216 VanDerWaalsContact O-N 3.13Å
213D94.5Very high93.6Very high88 Ų8878.8 Ų78.847%0.47139%0.394SS..Hα-helixtrans-70.3-42.2-176.3-70.8-13.6000111.3P165 S210 L216 I217P165-D213 HydrophobicContact CB-CB 4.19Å; P165-D213 HydrophobicContact CG-CB 4.14Å; S210-D213 PolarHBondContact O-N 3.45Å; D213-L216 PolarHBondContact O-N 3.29Å; D213-I217 WeakPolarHBondContact O-CD1 3.43Å; D213-I217 VanDerWaalsContact O-CG1 3.25Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.02Å; D213-I217 VanDerWaalsContact O-N 3.08Å
214S96.2Very high93.8Very high0 Ų078.7 Ų78.70%039%0.393CS..Hα-helixtrans-66-46.4-179.5-48.60000111.4T163 P165 S210 L216 I217 M218T163-S214 WeakPolarHBondContact O-CB 3.48Å; T163-S214 PolarHBondContact O-OG 3.02Å; P165-S214 WeakPolarHBondContact CD-OG 3.22Å; P165-S214 WeakPolarHBondContact CG-OG 3.44Å; S210-S214 WeakPolarHBondContact O-CB 3.38Å; S210-S214 PolarHBondContact O-N 2.75Å; S210-S214 PolarHBondContact O-OG 3.36Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; S214-I217 PolarHBondContact O-N 2.84Å; S214-I217 VanDerWaalsContact O-N 3.15Å; S214-M218 VanDerWaalsContact O-CG 3.27Å; S214-M218 WeakPolarHBondContact O-CG 3.33Å; S214-M218 PolarHBondContact O-N 3.14Å
215T96.5Very high94.1Very high43 Ų4371.7 Ų71.726%0.26436%0.356SS..Hα-helixtrans-65-36.3179.152.80000112.4L203 Y211 K212 M218 Q219L203-T215 HydrophobicContact CD1-CG2 4.16Å; Y211-T215 HydrophobicContact CD1-CG2 4.17Å; Y211-T215 HydrophobicContact CE1-CG2 3.87Å; Y211-T215 HydrophobicContact CE2-CG2 4.24Å; Y211-T215 HydrophobicContact CG-CG2 4.49Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.29Å; Y211-T215 WeakPolarHBondContact O-CG2 3.4Å; Y211-T215 PolarHBondContact O-N 3.45Å; Y211-T215 PolarHBondContact O-OG1 3.49Å; K212-T215 PolarHBondContact O-OG1 3.45Å; T215-M218 PolarHBondContact O-N 2.99Å; T215-Q219 WeakPolarHBondContact O-CB 3.45Å; T215-Q219 PolarHBondContact O-N 2.98Å
216L97.2Very high94.5Very high101 Ų10171.4 Ų71.453%0.52935%0.354SS..Hα-helixtrans-61.6-43.1172.2178.462.1000111.6K212 D213 S214 Q219 L220K212-L216 WeakPolarHBondContact O-CB 3.4Å; K212-L216 PolarHBondContact O-N 2.86Å; K212-L216 VanDerWaalsContact O-N 3.13Å; D213-L216 PolarHBondContact O-N 3.29Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; L216-Q219 WeakPolarHBondContact O-CB 3.5Å; L216-Q219 PolarHBondContact O-N 3.36Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 2.64Å; L216-L220 VanDerWaalsContact O-N 3.15Å
217I98Very high94.8Very high28 Ų2874.5 Ų74.514%0.14437%0.371CS..Hα-helixtrans-70-39.9178.8-61.8164.1000111.2P165 L168 L172 D213 S214 Q219 L220 L221P165-I217 HydrophobicContact CB-CD1 4.17Å; P165-I217 VanDerWaalsContact O-CD1 3.29Å; P165-I217 WeakPolarHBondContact O-CD1 3.44Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.46Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L172-I217 HydrophobicContact CB-CG2 4.28Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; D213-I217 WeakPolarHBondContact O-CD1 3.43Å; D213-I217 VanDerWaalsContact O-CG1 3.25Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.02Å; D213-I217 VanDerWaalsContact O-N 3.08Å; S214-I217 PolarHBondContact O-N 2.84Å; S214-I217 VanDerWaalsContact O-N 3.15Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.2Å; I217-L220 WeakPolarHBondContact O-CB 3.46Å; I217-L220 PolarHBondContact O-N 2.94Å; I217-L220 VanDerWaalsContact O-N 3.16Å; I217-L221 PolarHBondContact O-N 3.38Å
218M98Very high95.2Very high9 Ų972 Ų724%0.04435%0.352CS..Hα-helixtrans-60.4-38.9174.2-70.1169.972.500111.7L168 F196 A199 I200 L203 S214 T215 L221 R222L168-M218 HydrophobicContact CD1-CG 3.91Å; L168-M218 HydrophobicContact CD1-SD 4.37Å; L168-M218 HydrophobicContact CD2-CG 4.1Å; F196-M218 HydrophobicContact CD2-CB 4.08Å; F196-M218 WeakPolarHBondContact CD2-O 3.4Å; F196-M218 HydrophobicContact CE2-CB 4.08Å; F196-M218 WeakPolarHBondContact CE2-O 3.32Å; A199-M218 HydrophobicContact CB-CE 3.87Å; A199-M218 HydrophobicContact CB-CG 4.3Å; A199-M218 HydrophobicContact CB-SD 3.94Å; I200-M218 HydrophobicContact CB-CE 4.4Å; I200-M218 HydrophobicContact CG1-CE 3.49Å; I200-M218 VanDerWaalsContact CG1-CE 3.49Å; L203-M218 HydrophobicContact CD1-CE 4.31Å; L203-M218 HydrophobicContact CD1-SD 3.93Å; L203-M218 HydrophobicContact CD2-CE 4.49Å; S214-M218 VanDerWaalsContact O-CG 3.27Å; S214-M218 WeakPolarHBondContact O-CG 3.33Å; S214-M218 PolarHBondContact O-N 3.14Å; T215-M218 PolarHBondContact O-N 2.99Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 2.85Å; M218-R222 PolarHBondContact O-N 3.42Å
219Q98Very high95.4Very high64 Ų6466 Ų6630%0.29933%0.328SS..Hα-helixtrans-59.9-46.1173.3177.455.638.800111.5T215 L216 I217 L221 R222 D223T215-Q219 WeakPolarHBondContact O-CB 3.45Å; T215-Q219 PolarHBondContact O-N 2.98Å; L216-Q219 WeakPolarHBondContact O-CB 3.5Å; L216-Q219 PolarHBondContact O-N 3.36Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.2Å; Q219-L221 PolarHBondContact O-N 3.36Å; Q219-R222 WeakPolarHBondContact O-CB 3.27Å; Q219-R222 PolarHBondContact O-N 3.03Å; Q219-D223 PolarHBondContact NE2-OD1 3.05Å; Q219-D223 PolarHBondContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 3.3Å
220L98.4Very high95.4Very high75 Ų7560.6 Ų60.639%0.39331%0.309SS..Hα-helixtrans-63.4-39.3176.7-65.9171.7000112.6L172 L216 I217 R222 D223 N224L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.92Å; L172-L220 HydrophobicContact CD2-CD1 3.92Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 2.64Å; L216-L220 VanDerWaalsContact O-N 3.15Å; I217-L220 WeakPolarHBondContact O-CB 3.46Å; I217-L220 PolarHBondContact O-N 2.94Å; I217-L220 VanDerWaalsContact O-N 3.16Å; L220-R222 VanDerWaalsContact C-N 3.35Å; L220-D223 PolarHBondContact O-N 3.24Å; L220-N224 PolarHBondContact O-N 3.3Å
221L98.4Very high94.8Very high0 Ų062.2 Ų62.20%032%0.315CS..Hα-helixtrans-59.6-45.7173.8-78.2167.9000111.5L168 L172 A192 A195 F196 I217 M218 Q219 N224 L225L168-L221 HydrophobicContact CD2-CD1 3.98Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.23Å; L172-L221 HydrophobicContact CD1-CD2 3.98Å; L172-L221 HydrophobicContact CD1-CG 4.19Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A195-L221 HydrophobicContact CB-CD1 4.36Å; F196-L221 HydrophobicContact CD2-CB 4.42Å; I217-L221 PolarHBondContact O-N 3.38Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 2.85Å; Q219-L221 PolarHBondContact O-N 3.36Å; L221-N224 PolarHBondContact O-N 3.2Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.28Å
222R97.7Very high93.8Very high116 Ų11658.6 Ų58.644%0.43831%0.306SS..Hα-helixtrans-63-41.5177.3-172-172.373.7-173.16.1112.3F196 M218 Q219 L220 L225 T226F196-R222 HydrophobicContact CD2-CB 4.41Å; F196-R222 HydrophobicContact CE2-CB 3.86Å; F196-R222 HydrophobicContact CE2-CG 4.48Å; F196-R222 HydrophobicContact CZ-CB 4.13Å; F196-R222 HydrophobicContact CZ-CG 4.25Å; M218-R222 PolarHBondContact O-N 3.42Å; Q219-R222 WeakPolarHBondContact O-CB 3.27Å; Q219-R222 PolarHBondContact O-N 3.03Å; L220-R222 VanDerWaalsContact C-N 3.35Å; R222-L225 PolarHBondContact O-N 2.91Å; R222-T226 PolarHBondContact O-N 3.27Å; R222-T226 PolarHBondContact O-OG1 3.45Å
223D97.9Very high92.4Very high67 Ų6757.3 Ų57.336%0.35830%0.302SS..Hα-helixtrans-66.9-41.2-179-65-13000110.7Q219 L220 T226 L227Q219-D223 PolarHBondContact NE2-OD1 3.05Å; Q219-D223 PolarHBondContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 3.3Å; L220-D223 PolarHBondContact O-N 3.24Å; D223-T226 PolarHBondContact O-N 2.88Å; D223-L227 PolarHBondContact O-N 2.93Å
224N97.1Very high90.6Very high37 Ų3755 Ų5520%0.19830%0.299CS..Hα-helixtrans-61.4-45.1172-78.61.5000112.4L172 L220 L221 T226 L227 W228L172-N224 VanDerWaalsContact CD1-ND2 3.32Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.46Å; L220-N224 PolarHBondContact O-N 3.3Å; L221-N224 PolarHBondContact O-N 3.2Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 3.42Å; N224-L227 PolarHBondContact O-N 2.7Å; N224-W228 HydrophobicContact CB-CD2 4.19Å; N224-W228 HydrophobicContact CB-CE3 4.05Å; N224-W228 HydrophobicContact CB-CH2 3.66Å; N224-W228 HydrophobicContact CB-CZ2 3.78Å; N224-W228 HydrophobicContact CB-CZ3 3.79Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.49Å; N224-W228 WeakPolarHBondContact O-CB 3.42Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.14Å
225L96.9Very high88.6Confident25 Ų2560.6 Ų60.613%0.13133%0.329CS..Hα-helixtrans-58-42.5176.4-76.8167.7000111.7C189 A192 K193 L221 R222 T229C189-L225 HydrophobicContact CB-CD2 4.12Å; C189-L225 WeakPolarHBondContact O-CD2 3.41Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CG 3.92Å; K193-L225 HydrophobicContact CB-CD1 4.18Å; K193-L225 HydrophobicContact CB-CD2 4.07Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.28Å; R222-L225 PolarHBondContact O-N 2.91Å; L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 VanDerWaalsContact O-CG2 3.24Å; L225-T229 WeakPolarHBondContact O-CG2 3.49Å; L225-T229 PolarHBondContact O-N 3.09Å; L225-T229 PolarHBondContact O-OG1 3.12Å
226T96.1Very high86.3Confident85 Ų8565.5 Ų65.552%0.52135%0.349SS..Hα-helixtrans-62.2-46.7177.9-54.10000110.9R222 D223 N224 T229 S230R222-T226 PolarHBondContact O-N 3.27Å; R222-T226 PolarHBondContact O-OG1 3.45Å; D223-T226 PolarHBondContact O-N 2.88Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 3.42Å; T226-T229 PolarHBondContact O-OG1 3.41Å; T226-S230 PolarHBondContact O-N 2.85Å; T226-S230 PolarHBondContact O-OG 2.9Å
227L94.8Very high84Confident91 Ų9163.8 Ų63.848%0.47635%0.349SS..Hα-helixtrans-62.7-49.1179.5-178.666.1000112.3D223 N224 T229 S230 D231D223-L227 PolarHBondContact O-N 2.93Å; N224-L227 PolarHBondContact O-N 2.7Å; L227-T229 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 3.34Å; L227-S230 PolarHBondContact O-N 3.07Å; L227-S230 PolarHBondContact O-OG 3.02Å; L227-D231 PolarHBondContact O-N 2.92Å
228W95.2Very high81.4Confident8 Ų870.6 Ų70.63%0.0338%0.38CS..Hα-helixtrans-74.4-25.6-174.4-57.3-26.8000113.3S175 V176 Y179 A188 A192 N224 T232S175-W228 WeakPolarHBondContact OG-CH2 3.4Å; V176-W228 HydrophobicContact CG2-CH2 3.96Å; V176-W228 HydrophobicContact CG2-CZ2 3.98Å; Y179-W228 AromaticContact CD1-CD1 3.81Å; Y179-W228 AromaticContact CD1-CE2 3.95Å; Y179-W228 HydrophobicContact CD1-CZ2 4.47Å; Y179-W228 AromaticContact CD1-NE1 3.4Å; Y179-W228 HydrophobicContact CD2-CB 4.07Å; Y179-W228 AromaticContact CD2-CD1 3.58Å; Y179-W228 AromaticContact CD2-CD2 3.77Å; Y179-W228 HydrophobicContact CD2-CD2 3.77Å; Y179-W228 AromaticContact CD2-CE2 3.91Å; Y179-W228 HydrophobicContact CD2-CE3 4.49Å; Y179-W228 AromaticContact CD2-CG 3.55Å; Y179-W228 HydrophobicContact CD2-CG 3.55Å; Y179-W228 AromaticContact CD2-NE1 3.79Å; Y179-W228 AromaticContact CE1-CD1 3.49Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.49Å; Y179-W228 HydrophobicContact CE1-CG 4.4Å; Y179-W228 AromaticContact CE1-NE1 3.48Å; Y179-W228 HydrophobicContact CE2-CB 3.68Å; Y179-W228 AromaticContact CE2-CD1 3.27Å; Y179-W228 HydrophobicContact CE2-CD2 4.16Å; Y179-W228 AromaticContact CE2-CG 3.43Å; Y179-W228 HydrophobicContact CE2-CG 3.43Å; Y179-W228 VanDerWaalsContact CE2-CG 3.43Å; Y179-W228 AromaticContact CE2-NE1 3.88Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 HydrophobicContact CG-CD2 4.02Å; Y179-W228 AromaticContact CG-CE2 3.67Å; Y179-W228 HydrophobicContact CG-CG 4.12Å; Y179-W228 HydrophobicContact CG-CZ2 4.15Å; Y179-W228 AromaticContact CG-NE1 3.56Å; Y179-W228 AromaticContact CZ-CD1 3.21Å; Y179-W228 AromaticContact CZ-CG 3.88Å; Y179-W228 AromaticContact CZ-NE1 3.73Å; A188-W228 HydrophobicContact CB-CE3 4.08Å; A188-W228 HydrophobicContact CB-CZ3 3.97Å; A192-W228 HydrophobicContact CB-CZ3 4.37Å; N224-W228 HydrophobicContact CB-CD2 4.19Å; N224-W228 HydrophobicContact CB-CE3 4.05Å; N224-W228 HydrophobicContact CB-CH2 3.66Å; N224-W228 HydrophobicContact CB-CZ2 3.78Å; N224-W228 HydrophobicContact CB-CZ3 3.79Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.49Å; N224-W228 WeakPolarHBondContact O-CB 3.42Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.14Å; W228-T232 PolarHBondContact O-N 2.82Å; W228-T232 PolarHBondContact O-OG1 3.37Å
229T90.5Very high78.9Confident59 Ų5974.3 Ų74.336%0.36241%0.412SS..Hα-helixtrans-79.7-26.3174.254.20000113L225 T226 L227 T232 Q233L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 VanDerWaalsContact O-CG2 3.24Å; L225-T229 WeakPolarHBondContact O-CG2 3.49Å; L225-T229 PolarHBondContact O-N 3.09Å; L225-T229 PolarHBondContact O-OG1 3.12Å; T226-T229 PolarHBondContact O-OG1 3.41Å; L227-T229 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 3.34Å; T229-T232 WeakPolarHBondContact CA-OG1 3.27Å; T229-T232 PolarHBondContact O-OG1 2.95Å; T229-Q233 WeakPolarHBondContact O-CG 3.33Å; T229-Q233 PolarHBondContact O-N 3.05Å
230S86.7Confident76.2Confident61 Ų6174.1 Ų74.143%0.42743%0.428SS..Hα-helixtrans-72-37.7169.755.10000112.5T226 L227 Q233 G234T226-S230 PolarHBondContact O-N 2.85Å; T226-S230 PolarHBondContact O-OG 2.9Å; L227-S230 PolarHBondContact O-N 3.07Å; L227-S230 PolarHBondContact O-OG 3.02Å; S230-Q233 PolarHBondContact O-N 2.96Å; S230-G234 PolarHBondContact O-N 2.87Å
231D77.6Confident73.6Confident69 Ų6979.5 Ų79.537%0.36945%0.451SS..Hα-helixtrans-64.8-42.4179.6-69.9-5000111.1Y179 L227 Q233 G234 D235Y179-D231 PolarHBondContact OH-OD2 3.03Å; L227-D231 PolarHBondContact O-N 2.92Å; D231-Q233 PolarHBondContact O-N 2.85Å; D231-G234 PolarHBondContact O-N 3.24Å; D231-D235 PolarHBondContact O-N 3.49Å
232T70.7Confident70.8Confident44 Ų4483.3 Ų83.327%0.2749%0.49SS..Hα-helixtrans-67.6-33.5178.335.20000113.8P185 W228 T229 E236P185-T232 HydrophobicContact CB-CG2 4.14Å; P185-T232 HydrophobicContact CG-CG2 4.21Å; W228-T232 PolarHBondContact O-N 2.82Å; W228-T232 PolarHBondContact O-OG1 3.37Å; T229-T232 WeakPolarHBondContact CA-OG1 3.27Å; T229-T232 PolarHBondContact O-OG1 2.95Å; T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.36Å
233Q63.9Low67.7Low134 Ų13481 Ų8163%0.62650%0.502SS*.Hα-helixtrans-72.9-29.4175-72.1176.322.700112.9T229 S230 D231 A237T229-Q233 WeakPolarHBondContact O-CG 3.33Å; T229-Q233 PolarHBondContact O-N 3.05Å; S230-Q233 PolarHBondContact O-N 2.96Å; D231-Q233 PolarHBondContact O-N 2.85Å; Q233-A237 PolarHBondContact O-N 3.35Å
234G57.4Low65Low38 Ų3887.1 Ų87.139%0.39253%0.528SS..Hα-helixtrans-66.1-44.5174.500000112.4S230 D231 A237 E238S230-G234 PolarHBondContact O-N 2.87Å; D231-G234 PolarHBondContact O-N 3.24Å; G234-A237 PolarHBondContact O-N 3.43Å; G234-E238 PolarHBondContact O-N 3.14Å
235D53.4Low62.3Low119 Ų11997 Ų9764%0.63658%0.581SS**Hα-helixtrans-68.5-34.5179-72.1-15000112.5D231 A239D231-D235 PolarHBondContact O-N 3.49Å; D235-A239 PolarHBondContact O-N 3.43Å
236E49Very low60.5Low146 Ų146100.6 Ų100.668%0.68260%0.604SS**Hα-helixtrans-69.7-34175-75.3-177.3177.100112.8T232 A239 G240T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.36Å; E236-A239 PolarHBondContact O-N 3.37Å; E236-G240 PolarHBondContact O-N 2.97Å
237A47.6Very low58.7Low64 Ų64101.4 Ų101.453%0.52961%0.608SS.*Hα-helixtrans-67.9-37.217700000112.2Q233 G234 G240Q233-A237 PolarHBondContact O-N 3.35Å; G234-A237 PolarHBondContact O-N 3.43Å; A237-G240 PolarHBondContact O-N 3.17Å
238E43.2Very low56.7Low172 Ų172102 Ų10280%0.80462%0.615SS**Hα-helixtrans-73-27.8175.3-69.7-166172.600112.9G234 G240G234-E238 PolarHBondContact O-N 3.14Å; E238-G240 VanDerWaalsContact C-N 3.33Å
239A47Very low54.4Low86 Ų86107.5 Ų107.571%0.71165%0.65SS**Hα-helixtrans-76.4-17.7174.700000113.7D235 E236D235-A239 PolarHBondContact O-N 3.43Å; E236-A239 PolarHBondContact O-N 3.37Å
240G41.3Very low52.1Low61 Ų61110.6 Ų110.663%0.62967%0.668SS**Hα-helixtrans-86.7-21.1-174.500000116.2E236 A237 E238 G242E236-G240 PolarHBondContact O-N 2.97Å; A237-G240 PolarHBondContact O-N 3.17Å; E238-G240 VanDerWaalsContact C-N 3.33Å; G240-G242 VanDerWaalsContact C-N 3.33Å; G240-G242 PolarHBondContact O-N 2.83Å
241E43.6Very low49.8Very low188 Ų188113.9 Ų113.988%0.87968%0.684SS**THydrogen-bonded Turntrans-93.131.3-174.1-68.7-163168.100114.5
242G38.7Very low47.8Very low79 Ų79117.1 Ų117.181%0.81471%0.706SS**THydrogen-bonded Turntrans-107.25.6-178.900000116.7G240G240-G242 VanDerWaalsContact C-N 3.33Å; G240-G242 PolarHBondContact O-N 2.83Å
243G34.1Very low46.1Very low67 Ų67122.7 Ų122.769%0.69174%0.74SS**  trans-146.376.2-167.200000115.9
244E41Very low44.6Very low196 Ų196121.8 Ų121.892%0.91675%0.749SS**  trans-138110.6154.2-70.8-166.2160.100110.8
245N38.9Very low43.4Very low245 Ų245129.4 Ų129.4100%1.3178%0.782SS**  trans120159.9-63.9-30.7000120.4

Retrieved 245 of 245 residues in 298.8 ms (Link to these results)

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