A0A087XA72_POEFO Loading...

Synembryn

Chaperone that specifically binds and folds nascent G alpha proteins prior to G protein heterotrimer formation. Also acts as a guanine nucleotide exchange factor (GEF) for G alpha proteins by stimulating exchange of bound GDP for free GTP.

AlphaFold DB , UniProt , Accession A0A087XA72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 585 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M64.8Low87.2Confident110 Ų11066.2 Ų66.254%0.54232%0.315SS..  01570-86.4-166.3176.100110.6L3 I6 S24 E28M1-L3 PolarHBondContact O-N 3.2Å; M1-I6 HydrophobicContact CB-CD1 4.17Å; M1-I6 HydrophobicContact SD-CD1 4.48Å; M1-S24 VanDerWaalsContact CE-CB 3.44Å; M1-S24 WeakPolarHBondContact CE-OG 3.24Å; M1-E28 PolarHBondContact N-OE1 2.91Å; M1-E28 PolarHBondContact N-OE2 2.98Å
2D83.6Confident87.3Confident88 Ų8865.5 Ų65.547%0.47132%0.319SS..  trans-75.6116.3170.2-174.9-9.5000110.1R4 V5 I6D2-R4 PolarHBondContact O-N 3.41Å; D2-R4 WeakPolarHBondContact OD1-CB 3.29Å; D2-R4 WeakPolarHBondContact OD1-CG 3.28Å; D2-R4 PolarHBondContact OD1-N 2.92Å; D2-V5 HydrophobicContact CB-CG2 4.05Å; D2-V5 PolarHBondContact O-N 2.99Å; D2-I6 PolarHBondContact O-N 3.27Å
3L87.3Confident87.1Confident8 Ų869.8 Ų69.84%0.04234%0.338CS..Hα-helixtrans-56.7-28.3178.2-83.5158.7000112.7M1 I6 I7 F25 E39 E42 R43 L46M1-L3 PolarHBondContact O-N 3.2Å; L3-I6 HydrophobicContact CD2-CD1 4.44Å; L3-I6 WeakPolarHBondContact O-CB 3.49Å; L3-I6 PolarHBondContact O-N 3.46Å; L3-I7 WeakPolarHBondContact O-CD1 2.91Å; L3-I7 VanDerWaalsContact O-CG1 3.27Å; L3-I7 WeakPolarHBondContact O-CG1 3.48Å; L3-I7 PolarHBondContact O-N 2.84Å; L3-F25 HydrophobicContact CD2-CE2 3.9Å; L3-E39 HydrophobicContact CD1-CB 3.72Å; L3-E39 HydrophobicContact CD1-CG 4.15Å; L3-E42 HydrophobicContact CB-CB 3.99Å; L3-E42 HydrophobicContact CD1-CB 4.35Å; L3-R43 HydrophobicContact CD1-CG 3.85Å; L3-R43 HydrophobicContact CD2-CG 4.44Å; L3-L46 HydrophobicContact CD2-CD2 3.72Å
4R88.4Confident87.3Confident149 Ų14971.6 Ų71.656%0.56235%0.345SS*.Hα-helixtrans-67.4-41.9179.6-63.2178.6177.5-179.92.4111.8D2 I6 I7 E8 E42D2-R4 PolarHBondContact O-N 3.41Å; D2-R4 WeakPolarHBondContact OD1-CB 3.29Å; D2-R4 WeakPolarHBondContact OD1-CG 3.28Å; D2-R4 PolarHBondContact OD1-N 2.92Å; R4-I6 PolarHBondContact O-N 3.04Å; R4-I7 PolarHBondContact O-N 2.78Å; R4-E8 WeakPolarHBondContact O-CG 3.45Å; R4-E8 PolarHBondContact O-N 2.93Å; R4-E42 HydrophobicContact CG-CG 4.1Å; R4-E42 IonicContact CZ-OE1 2.64Å; R4-E42 IonicContact NE-OE1 3.97Å; R4-E42 PolarHBondContact NE-OE1 2.88Å; R4-E42 IonicContact NH2-OE1 3.41Å; R4-E42 PolarHBondContact NH2-OE1 3.4Å
5V88.9Confident87.6Confident73 Ų7370.3 Ų70.344%0.44234%0.339SS..Hα-helixtrans-62.6-36.7174.6179.10000110.3D2 Q9D2-V5 HydrophobicContact CB-CG2 4.05Å; D2-V5 PolarHBondContact O-N 2.99Å; V5-Q9 VanDerWaalsContact O-CG 3.29Å; V5-Q9 WeakPolarHBondContact O-CG 3.44Å; V5-Q9 PolarHBondContact O-N 3.04Å; V5-Q9 VanDerWaalsContact O-N 3.15Å
6I90.5Very high87.7Confident2 Ų272.8 Ų72.81%0.0135%0.354CS..Hα-helixtrans-63.7-49.9177-60.4174.5000110.7M1 D2 L3 R4 Q9 M10 V21 L22 F25 L46M1-I6 HydrophobicContact CB-CD1 4.17Å; M1-I6 HydrophobicContact SD-CD1 4.48Å; D2-I6 PolarHBondContact O-N 3.27Å; L3-I6 HydrophobicContact CD2-CD1 4.44Å; L3-I6 WeakPolarHBondContact O-CB 3.49Å; L3-I6 PolarHBondContact O-N 3.46Å; R4-I6 PolarHBondContact O-N 3.04Å; I6-Q9 PolarHBondContact O-N 3.17Å; I6-M10 HydrophobicContact CG2-SD 4.49Å; I6-M10 WeakPolarHBondContact O-CG 3.46Å; I6-M10 PolarHBondContact O-N 2.66Å; I6-V21 HydrophobicContact CB-CG1 3.75Å; I6-V21 HydrophobicContact CG1-CG1 3.55Å; I6-V21 HydrophobicContact CG2-CG1 3.61Å; I6-L22 HydrophobicContact CG2-CD2 4.47Å; I6-F25 HydrophobicContact CD1-CB 3.91Å; I6-F25 HydrophobicContact CD1-CD2 3.52Å; I6-F25 HydrophobicContact CD1-CE2 4.41Å; I6-F25 HydrophobicContact CD1-CG 4.03Å; I6-L46 HydrophobicContact CG2-CD1 3.77Å; I6-L46 HydrophobicContact CG2-CD2 4.32Å
7I92.1Very high87.9Confident17 Ų1773.1 Ų73.19%0.08735%0.354CS..Hα-helixtrans-59.3-48.3179.2-69.4163.7000110.7L3 R4 Q9 M10 E11 E42 R45 L46 L49L3-I7 WeakPolarHBondContact O-CD1 2.91Å; L3-I7 VanDerWaalsContact O-CG1 3.27Å; L3-I7 WeakPolarHBondContact O-CG1 3.48Å; L3-I7 PolarHBondContact O-N 2.84Å; R4-I7 PolarHBondContact O-N 2.78Å; I7-Q9 VanDerWaalsContact C-N 3.3Å; I7-Q9 PolarHBondContact O-N 3.38Å; I7-M10 PolarHBondContact O-N 2.97Å; I7-M10 VanDerWaalsContact O-N 3.11Å; I7-E11 HydrophobicContact CG2-CG 4.4Å; I7-E11 WeakPolarHBondContact O-CG 3.19Å; I7-E11 PolarHBondContact O-N 3.06Å; I7-E42 HydrophobicContact CD1-CB 3.87Å; I7-E42 HydrophobicContact CD1-CG 4.25Å; I7-E42 WeakPolarHBondContact CD1-O 3.44Å; I7-R45 HydrophobicContact CD1-CB 4.29Å; I7-R45 HydrophobicContact CD1-CG 4.31Å; I7-R45 HydrophobicContact CG2-CG 4.16Å; I7-L46 HydrophobicContact CG1-CB 4.29Å; I7-L46 HydrophobicContact CG1-CD1 4.46Å; I7-L49 HydrophobicContact CB-CD1 4.45Å; I7-L49 HydrophobicContact CG2-CD1 3.83Å
8E91.7Very high88.1Confident119 Ų11969.1 Ų69.156%0.55633%0.334SS*.Hα-helixtrans-57.4-41.6178.6-75.8176.4-174.600112.4R4 E11R4-E8 WeakPolarHBondContact O-CG 3.45Å; R4-E8 PolarHBondContact O-N 2.93Å; E8-E11 PolarHBondContact O-N 3.19Å
9Q89.5Confident88.3Confident65 Ų6566.6 Ų66.630%0.30432%0.322SS..Hα-helixtrans-70.3-36.2177.5-66.8-61.1-46.100112V5 I6 I7 T12 V21V5-Q9 VanDerWaalsContact O-CG 3.29Å; V5-Q9 WeakPolarHBondContact O-CG 3.44Å; V5-Q9 PolarHBondContact O-N 3.04Å; V5-Q9 VanDerWaalsContact O-N 3.15Å; I6-Q9 PolarHBondContact O-N 3.17Å; I7-Q9 VanDerWaalsContact C-N 3.3Å; I7-Q9 PolarHBondContact O-N 3.38Å; Q9-T12 PolarHBondContact O-N 2.69Å; Q9-T12 PolarHBondContact O-OG1 3.31Å; Q9-V21 HydrophobicContact CB-CG2 3.91Å; Q9-V21 HydrophobicContact CG-CG2 4.04Å
10M90.4Very high88.5Confident0 Ų066.3 Ų66.30%033%0.331CS..Hα-helixtrans-68.5-34175.5-73.9-162.870.600113.1I6 I7 T12 E13 A18 L22 L46 L49 V50 F53I6-M10 HydrophobicContact CG2-SD 4.49Å; I6-M10 WeakPolarHBondContact O-CG 3.46Å; I6-M10 PolarHBondContact O-N 2.66Å; I7-M10 PolarHBondContact O-N 2.97Å; I7-M10 VanDerWaalsContact O-N 3.11Å; M10-T12 PolarHBondContact O-N 3.31Å; M10-E13 PolarHBondContact O-N 2.96Å; M10-E13 VanDerWaalsContact O-N 3.12Å; M10-A18 HydrophobicContact CG-CB 4.44Å; M10-L22 HydrophobicContact CE-CD1 4.15Å; M10-L22 HydrophobicContact SD-CD1 4.32Å; M10-L22 HydrophobicContact SD-CD2 3.69Å; M10-L22 HydrophobicContact SD-CG 4.2Å; M10-L46 HydrophobicContact SD-CD1 3.28Å; M10-L46 WeakPolarHBondContact SD-CD1 3.33Å; M10-L49 HydrophobicContact CB-CD1 4.16Å; M10-L49 HydrophobicContact CE-CB 4.13Å; M10-V50 HydrophobicContact CE-CG2 3.74Å; M10-V50 HydrophobicContact SD-CG2 4.12Å; M10-F53 HydrophobicContact CE-CD2 4Å; M10-F53 HydrophobicContact CE-CE2 4.12Å; M10-F53 HydrophobicContact CE-CG 4.42Å; M10-F53 WeakPolarHBondContact O-CE2 3.46Å
11E91.4Very high88.8Confident97 Ų9764.3 Ų64.345%0.45332%0.323SS..Hα-helixtrans-65.9-16.5176.9-73.9-175.9158.800113.2I7 E8 E13 R45 L49I7-E11 HydrophobicContact CG2-CG 4.4Å; I7-E11 WeakPolarHBondContact O-CG 3.19Å; I7-E11 PolarHBondContact O-N 3.06Å; E8-E11 PolarHBondContact O-N 3.19Å; E11-E13 PolarHBondContact O-N 3.5Å; E11-R45 IonicContact OE1-CZ 3.06Å; E11-R45 IonicContact OE1-NE 2.86Å; E11-R45 IonicContact OE1-NH2 3.93Å; E11-R45 PolarHBondContact OE1-NH2 3.49Å; E11-L49 HydrophobicContact CG-CD1 3.9Å; E11-L49 HydrophobicContact CG-CD2 4.12Å
12T88.4Confident90.1Very high58 Ų5859 Ų5936%0.35630%0.297SS..THydrogen-bonded Turntrans-69.7-10.6172.870.80000113.8Q9 M10 E14Q9-T12 PolarHBondContact O-N 2.69Å; Q9-T12 PolarHBondContact O-OG1 3.31Å; M10-T12 PolarHBondContact O-N 3.31Å; T12-E14 PolarHBondContact O-N 3.08Å
13E84.9Confident90.6Very high121 Ų12159.7 Ų59.757%0.56530%0.297SS*.  trans57.77.1-176.4-54.6-156.2150.100115.7M10 E11 Q15 K56M10-E13 PolarHBondContact O-N 2.96Å; M10-E13 VanDerWaalsContact O-N 3.12Å; E11-E13 PolarHBondContact O-N 3.5Å; E13-Q15 PolarHBondContact O-N 3.37Å; E13-K56 IonicContact OE1-NZ 2.78Å; E13-K56 PolarHBondContact OE1-NZ 3.37Å; E13-K56 IonicContact OE2-NZ 2.84Å; E13-K56 PolarHBondContact OE2-NZ 3.29Å
14E90.1Very high90.9Very high95 Ų9561.5 Ų61.544%0.44431%0.31SS..  trans-80.4116.2176.3-71.8179.3-144.900110.8T12 D16 K17 A18T12-E14 PolarHBondContact O-N 3.08Å; E14-D16 VanDerWaalsContact C-N 3.34Å; E14-D16 PolarHBondContact O-N 3.16Å; E14-K17 HydrophobicContact CB-CB 4.26Å; E14-K17 HydrophobicContact CB-CD 4.16Å; E14-K17 HydrophobicContact CB-CG 4.3Å; E14-K17 PolarHBondContact O-N 3Å; E14-K17 IonicContact OE1-NZ 3.5Å; E14-K17 PolarHBondContact OE1-NZ 3.24Å; E14-K17 WeakPolarHBondContact OE2-CD 3.46Å; E14-K17 WeakPolarHBondContact OE2-CE 3.08Å; E14-K17 IonicContact OE2-NZ 3.7Å; E14-K17 PolarHBondContact OE2-NZ 3.31Å; E14-A18 WeakPolarHBondContact O-CB 3.29Å; E14-A18 PolarHBondContact O-N 3.37Å
15Q91.3Very high91.2Very high52 Ų5254.8 Ų54.824%0.24329%0.285CS..Hα-helixtrans-60.2-38.6-175.5-65-169.915.900113.4E13 A18 L19 E57 L58E13-Q15 PolarHBondContact O-N 3.37Å; Q15-A18 PolarHBondContact O-N 2.94Å; Q15-L19 VanDerWaalsContact O-CB 3.23Å; Q15-L19 WeakPolarHBondContact O-CB 3.4Å; Q15-L19 PolarHBondContact O-N 3.21Å; Q15-E57 PolarHBondContact NE2-O 2.89Å; Q15-L58 HydrophobicContact CG-CD2 4.26Å
16D90.5Very high91.4Very high111 Ų11151.7 Ų51.759%0.59427%0.266SS*.Hα-helixtrans-67.2-40.1-178.4-65.2-30.5000112E14 A20E14-D16 VanDerWaalsContact C-N 3.34Å; E14-D16 PolarHBondContact O-N 3.16Å; D16-A20 PolarHBondContact O-N 3.26Å; D16-A20 VanDerWaalsContact O-N 3.12Å
17K91.1Very high91.6Very high78 Ų7860 Ų6034%0.33930%0.302SS..Hα-helixtrans-68.2-46.3175.4-71.2179.8-179.6152.20110.8E14 L19 A20 V21E14-K17 HydrophobicContact CB-CB 4.26Å; E14-K17 HydrophobicContact CB-CD 4.16Å; E14-K17 HydrophobicContact CB-CG 4.3Å; E14-K17 PolarHBondContact O-N 3Å; E14-K17 IonicContact OE1-NZ 3.5Å; E14-K17 PolarHBondContact OE1-NZ 3.24Å; E14-K17 WeakPolarHBondContact OE2-CD 3.46Å; E14-K17 WeakPolarHBondContact OE2-CE 3.08Å; E14-K17 IonicContact OE2-NZ 3.7Å; E14-K17 PolarHBondContact OE2-NZ 3.31Å; K17-L19 VanDerWaalsContact C-N 3.33Å; K17-L19 PolarHBondContact O-N 3.26Å; K17-A20 PolarHBondContact O-N 2.87Å; K17-V21 VanDerWaalsContact O-CG2 3.27Å; K17-V21 WeakPolarHBondContact O-CG2 3.38Å; K17-V21 PolarHBondContact O-N 3.48Å
18A90.1Very high91.6Very high0 Ų064.5 Ų64.50%032%0.323CS..Hα-helixtrans-57.7-46.9176.100000110.9M10 E14 Q15 A20 V21 L22 F53M10-A18 HydrophobicContact CG-CB 4.44Å; E14-A18 WeakPolarHBondContact O-CB 3.29Å; E14-A18 PolarHBondContact O-N 3.37Å; Q15-A18 PolarHBondContact O-N 2.94Å; A18-A20 PolarHBondContact O-N 3.31Å; A18-V21 PolarHBondContact O-N 3.1Å; A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 3.41Å; A18-L22 WeakPolarHBondContact O-CG 3.44Å; A18-L22 PolarHBondContact O-N 3.24Å; A18-F53 HydrophobicContact CB-CE1 3.79Å; A18-F53 HydrophobicContact CB-CZ 4.02Å
19L92.6Very high91.5Very high22 Ų2260.7 Ų60.712%0.11531%0.306CS..Hα-helixtrans-56.8-52178174.762.8000112.2Q15 K17 V21 L22 Q23 S61 A65Q15-L19 VanDerWaalsContact O-CB 3.23Å; Q15-L19 WeakPolarHBondContact O-CB 3.4Å; Q15-L19 PolarHBondContact O-N 3.21Å; K17-L19 VanDerWaalsContact C-N 3.33Å; K17-L19 PolarHBondContact O-N 3.26Å; L19-V21 VanDerWaalsContact C-N 3.28Å; L19-V21 PolarHBondContact O-N 3.3Å; L19-L22 PolarHBondContact O-N 3.47Å; L19-Q23 HydrophobicContact CD1-CG 3.84Å; L19-Q23 HydrophobicContact CG-CG 4.44Å; L19-Q23 WeakPolarHBondContact O-CB 3.42Å; L19-Q23 VanDerWaalsContact O-CG 3.31Å; L19-Q23 WeakPolarHBondContact O-CG 3.46Å; L19-Q23 PolarHBondContact O-N 2.96Å; L19-S61 WeakPolarHBondContact CD1-O 3.46Å; L19-A65 HydrophobicContact CD1-CB 3.81Å
20A92.8Very high91.5Very high60 Ų6059.5 Ų59.550%0.49631%0.305SS..Hα-helixtrans-60.6-40-176.500000112.3D16 K17 A18 S24D16-A20 PolarHBondContact O-N 3.26Å; D16-A20 VanDerWaalsContact O-N 3.12Å; K17-A20 PolarHBondContact O-N 2.87Å; A18-A20 PolarHBondContact O-N 3.31Å; A20-S24 PolarHBondContact O-N 3.28Å
21V93.9Very high91.5Very high25 Ų2566.6 Ų66.615%0.15234%0.337CS..Hα-helixtrans-73.2-45.9-179.7175.70000111I6 Q9 K17 A18 L19 S24 F25I6-V21 HydrophobicContact CB-CG1 3.75Å; I6-V21 HydrophobicContact CG1-CG1 3.55Å; I6-V21 HydrophobicContact CG2-CG1 3.61Å; Q9-V21 HydrophobicContact CB-CG2 3.91Å; Q9-V21 HydrophobicContact CG-CG2 4.04Å; K17-V21 VanDerWaalsContact O-CG2 3.27Å; K17-V21 WeakPolarHBondContact O-CG2 3.38Å; K17-V21 PolarHBondContact O-N 3.48Å; A18-V21 PolarHBondContact O-N 3.1Å; L19-V21 VanDerWaalsContact C-N 3.28Å; L19-V21 PolarHBondContact O-N 3.3Å; V21-S24 PolarHBondContact O-N 3.46Å; V21-F25 PolarHBondContact O-N 3.07Å
22L93.7Very high91.4Very high0 Ų063.1 Ų63.10%032%0.324CS..Hα-helixtrans-63.9-40.9178.7-70.5-179.8000112I6 M10 A18 L19 S24 F25 N26 A65 T69I6-L22 HydrophobicContact CG2-CD2 4.47Å; M10-L22 HydrophobicContact CE-CD1 4.15Å; M10-L22 HydrophobicContact SD-CD1 4.32Å; M10-L22 HydrophobicContact SD-CD2 3.69Å; M10-L22 HydrophobicContact SD-CG 4.2Å; A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 3.41Å; A18-L22 WeakPolarHBondContact O-CG 3.44Å; A18-L22 PolarHBondContact O-N 3.24Å; L19-L22 PolarHBondContact O-N 3.47Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 2.89Å; L22-F25 WeakPolarHBondContact O-CB 3.49Å; L22-F25 PolarHBondContact O-N 3Å; L22-N26 WeakPolarHBondContact O-CB 3.45Å; L22-N26 PolarHBondContact O-N 3.11Å; L22-N26 PolarHBondContact O-ND2 3.41Å; L22-N26 PolarHBondContact O-OD1 3.3Å; L22-A65 HydrophobicContact CB-CB 4.18Å; L22-T69 HydrophobicContact CD2-CG2 4.02Å
23Q93.9Very high91.4Very high101 Ų10166.7 Ų66.747%0.47234%0.335SS..Hα-helixtrans-60.1-39.9175.2-77.6-179.8-23.300112.3L19 K27 A65L19-Q23 HydrophobicContact CD1-CG 3.84Å; L19-Q23 HydrophobicContact CG-CG 4.44Å; L19-Q23 WeakPolarHBondContact O-CB 3.42Å; L19-Q23 VanDerWaalsContact O-CG 3.31Å; L19-Q23 WeakPolarHBondContact O-CG 3.46Å; L19-Q23 PolarHBondContact O-N 2.96Å; Q23-K27 WeakPolarHBondContact O-CB 3.4Å; Q23-K27 PolarHBondContact O-N 2.99Å; Q23-A65 HydrophobicContact CG-CB 4.32Å
24S93.1Very high91.6Very high47 Ų4766.7 Ų66.733%0.32934%0.343SS..Hα-helixtrans-67.9-43.3177.9-153.70000111.7M1 A20 V21 L22 K27 E28M1-S24 VanDerWaalsContact CE-CB 3.44Å; M1-S24 WeakPolarHBondContact CE-OG 3.24Å; A20-S24 PolarHBondContact O-N 3.28Å; V21-S24 PolarHBondContact O-N 3.46Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 2.89Å; S24-K27 PolarHBondContact O-N 3.41Å; S24-E28 PolarHBondContact O-N 2.64Å; S24-E28 VanDerWaalsContact O-N 3.14Å
25F93.8Very high91.5Very high8 Ų864 Ų644%0.03533%0.33CS..Hα-helixtrans-58.9-49.4172.7176.4-97.5000112.1L3 I6 V21 L22 K27 E28 M29 L46 T69 I72 L73L3-F25 HydrophobicContact CD2-CE2 3.9Å; I6-F25 HydrophobicContact CD1-CB 3.91Å; I6-F25 HydrophobicContact CD1-CD2 3.52Å; I6-F25 HydrophobicContact CD1-CE2 4.41Å; I6-F25 HydrophobicContact CD1-CG 4.03Å; V21-F25 PolarHBondContact O-N 3.07Å; L22-F25 WeakPolarHBondContact O-CB 3.49Å; L22-F25 PolarHBondContact O-N 3Å; F25-K27 VanDerWaalsContact C-N 3.3Å; F25-K27 PolarHBondContact O-N 3.2Å; F25-E28 PolarHBondContact O-N 3.23Å; F25-M29 HydrophobicContact CD2-CG 3.96Å; F25-M29 HydrophobicContact CE1-CB 4.3Å; F25-M29 HydrophobicContact CE1-CG 4.39Å; F25-M29 HydrophobicContact CE2-CB 4.38Å; F25-M29 HydrophobicContact CE2-CG 3.62Å; F25-M29 HydrophobicContact CZ-CB 4.15Å; F25-M29 HydrophobicContact CZ-CG 3.85Å; F25-M29 WeakPolarHBondContact O-CB 3.37Å; F25-M29 PolarHBondContact O-N 3.12Å; F25-L46 HydrophobicContact CZ-CD2 4.42Å; F25-T69 HydrophobicContact CD1-CG2 4.09Å; F25-T69 HydrophobicContact CE1-CG2 3.95Å; F25-I72 HydrophobicContact CE1-CD1 4.49Å; F25-I72 HydrophobicContact CE1-CG2 4.06Å; F25-I72 HydrophobicContact CZ-CG2 4.29Å; F25-L73 HydrophobicContact CZ-CD2 4.41Å
26N94.2Very high91.2Very high7 Ų765.1 Ų65.14%0.03734%0.337CS..Hα-helixtrans-60.5-41.1-179.3-69.5-12.3000111.4L22 M29 S30 A65 E68 T69 I72L22-N26 WeakPolarHBondContact O-CB 3.45Å; L22-N26 PolarHBondContact O-N 3.11Å; L22-N26 PolarHBondContact O-ND2 3.41Å; L22-N26 PolarHBondContact O-OD1 3.3Å; N26-M29 PolarHBondContact O-N 3.21Å; N26-S30 WeakPolarHBondContact O-CA 3.29Å; N26-S30 WeakPolarHBondContact O-CB 3.47Å; N26-S30 PolarHBondContact O-N 3.36Å; N26-A65 PolarHBondContact ND2-O 2.93Å; N26-E68 WeakPolarHBondContact ND2-CB 3.35Å; N26-E68 PolarHBondContact ND2-OE2 3.21Å; N26-T69 WeakPolarHBondContact OD1-CA 3.27Å; N26-T69 PolarHBondContact OD1-OG1 3.12Å; N26-I72 HydrophobicContact CB-CD1 4.22Å
27K93.2Very high91Very high176 Ų17668.9 Ų68.977%0.76534%0.344SS*.Hα-helixtrans-61.5-45.1176.8-173.5176.1179.61780111.8Q23 S24 F25 S30Q23-K27 WeakPolarHBondContact O-CB 3.4Å; Q23-K27 PolarHBondContact O-N 2.99Å; S24-K27 PolarHBondContact O-N 3.41Å; F25-K27 VanDerWaalsContact C-N 3.3Å; F25-K27 PolarHBondContact O-N 3.2Å; K27-S30 PolarHBondContact O-OG 3Å
28E92.1Very high90.8Very high113 Ų11373 Ų7353%0.52836%0.364SS..Hα-helixtrans-69-41.3179.6-168.2177.8170.200111.9M1 S24 F25M1-E28 PolarHBondContact N-OE1 2.91Å; M1-E28 PolarHBondContact N-OE2 2.98Å; S24-E28 PolarHBondContact O-N 2.64Å; S24-E28 VanDerWaalsContact O-N 3.14Å; F25-E28 PolarHBondContact O-N 3.23Å
29M91Very high90.6Very high39 Ų3976.5 Ų76.519%0.19238%0.38CS..Hα-helixtrans-100.41.2-170.3-61.7-62.7-77.200114.6F25 N26 Q31 C32 F35 I72F25-M29 HydrophobicContact CD2-CG 3.96Å; F25-M29 HydrophobicContact CE1-CB 4.3Å; F25-M29 HydrophobicContact CE1-CG 4.39Å; F25-M29 HydrophobicContact CE2-CB 4.38Å; F25-M29 HydrophobicContact CE2-CG 3.62Å; F25-M29 HydrophobicContact CZ-CB 4.15Å; F25-M29 HydrophobicContact CZ-CG 3.85Å; F25-M29 WeakPolarHBondContact O-CB 3.37Å; F25-M29 PolarHBondContact O-N 3.12Å; N26-M29 PolarHBondContact O-N 3.21Å; M29-Q31 PolarHBondContact O-N 3.14Å; M29-Q31 VanDerWaalsContact O-N 3.11Å; M29-C32 HydrophobicContact CB-CB 4.34Å; M29-C32 HydrophobicContact CE-CB 3.76Å; M29-C32 VanDerWaalsContact CE-SG 3.53Å; M29-C32 VanDerWaalsContact O-CB 3.32Å; M29-C32 WeakPolarHBondContact O-CB 3.18Å; M29-C32 PolarHBondContact O-N 3.44Å; M29-C32 HydrophobicContact SD-CB 4.08Å; M29-F35 HydrophobicContact CE-CD1 4.11Å; M29-F35 HydrophobicContact CE-CE1 3.91Å; M29-I72 HydrophobicContact CB-CD1 4.21Å; M29-I72 HydrophobicContact CB-CG2 3.86Å
30S89.4Confident90.5Very high40 Ų4077.6 Ų77.628%0.2839%0.385SS..THydrogen-bonded Turntrans-52.8-36.1-175.956.40000114.5N26 K27 R75N26-S30 WeakPolarHBondContact O-CA 3.29Å; N26-S30 WeakPolarHBondContact O-CB 3.47Å; N26-S30 PolarHBondContact O-N 3.36Å; K27-S30 PolarHBondContact O-OG 3Å; S30-R75 VanDerWaalsContact O-CZ 3.31Å; S30-R75 PolarHBondContact O-NH1 3.15Å; S30-R75 PolarHBondContact O-NH2 2.99Å
31Q90.5Very high90.4Very high148 Ų14881.1 Ų81.169%0.69239%0.391SS*.THydrogen-bonded Turntrans-106.914.3178.9-59.9-59.8-27.200113.3M29 F33M29-Q31 PolarHBondContact O-N 3.14Å; M29-Q31 VanDerWaalsContact O-N 3.11Å; Q31-F33 VanDerWaalsContact O-CD2 3.22Å; Q31-F33 WeakPolarHBondContact O-CD2 3.41Å
32C89.1Confident90.3Very high25 Ų2581.4 Ų81.417%0.16939%0.391CS..  trans-82.9126.8178.6-166.40000111.1M29 T34 R75M29-C32 HydrophobicContact CB-CB 4.34Å; M29-C32 HydrophobicContact CE-CB 3.76Å; M29-C32 VanDerWaalsContact CE-SG 3.53Å; M29-C32 VanDerWaalsContact O-CB 3.32Å; M29-C32 WeakPolarHBondContact O-CB 3.18Å; M29-C32 PolarHBondContact O-N 3.44Å; M29-C32 HydrophobicContact SD-CB 4.08Å; C32-T34 PolarHBondContact SG-O 2.94Å; C32-R75 WeakPolarHBondContact O-CD 3.44Å; C32-R75 PolarHBondContact O-NH1 3.43Å
33F89.4Confident90.3Very high133 Ų13381.8 Ų81.858%0.58339%0.392SS*.  trans-124.6-0.2176-64.5-86.7000112.6Q31Q31-F33 VanDerWaalsContact O-CD2 3.22Å; Q31-F33 WeakPolarHBondContact O-CD2 3.41Å
34T87Confident90.3Very high121 Ų12178.5 Ų78.574%0.74238%0.376SS*.  trans-130119.2-178.552.30000109.3C32C32-T34 PolarHBondContact SG-O 2.94Å
35F88.1Confident90.3Very high39 Ų3981.2 Ų81.217%0.17138%0.379CS..  trans-113.2144.5-172.3-60.2-89.4000111.5M29 I72 R75 D76M29-F35 HydrophobicContact CE-CD1 4.11Å; M29-F35 HydrophobicContact CE-CE1 3.91Å; F35-I72 HydrophobicContact CE1-CG2 4.31Å; F35-I72 HydrophobicContact CZ-CG2 4.39Å; F35-I72 WeakPolarHBondContact CZ-O 3.45Å; F35-R75 HydrophobicContact CE2-CB 3.85Å; F35-R75 HydrophobicContact CZ-CB 4.09Å; F35-D76 HydrophobicContact CB-CB 4.41Å; F35-D76 HydrophobicContact CD1-CB 4.48Å; F35-D76 HydrophobicContact CD2-CB 3.54Å; F35-D76 HydrophobicContact CE2-CB 3.84Å; F35-D76 HydrophobicContact CG-CB 3.89Å; F35-D76 HydrophobicContact CZ-CB 4.43Å
36N86Confident90.3Very high74 Ų7480.8 Ų80.840%0.39638%0.377SS..  trans-72.3135.5176-173.93.5000110E38 R43N36-E38 VanDerWaalsContact C-N 3.29Å; N36-E38 PolarHBondContact ND2-OE2 3.17Å; N36-E38 PolarHBondContact O-N 2.94Å; N36-E38 PolarHBondContact OD1-N 2.89Å; N36-E38 VanDerWaalsContact OD1-N 3.13Å; N36-R43 VanDerWaalsContact O-CZ 3.25Å; N36-R43 PolarHBondContact O-NH1 2.9Å; N36-R43 PolarHBondContact O-NH2 3.45Å
37R85.9Confident90.3Very high191 Ų19180.5 Ų80.572%0.72138%0.376SS*.G310 helixtrans-68.5-27.5176.2-76.2-173.9151.4-172-8.5113.3E39 E40R37-E39 PolarHBondContact O-N 3.26Å; R37-E40 WeakPolarHBondContact O-CB 2.93Å; R37-E40 PolarHBondContact O-N 3.47Å
38E86.7Confident90.4Very high165 Ų16576.7 Ų76.777%0.77136%0.361SS*.G310 helixtrans-66.9-26.7-177.1-63.1174.7160.400112.9N36N36-E38 VanDerWaalsContact C-N 3.29Å; N36-E38 PolarHBondContact ND2-OE2 3.17Å; N36-E38 PolarHBondContact O-N 2.94Å; N36-E38 PolarHBondContact OD1-N 2.89Å; N36-E38 VanDerWaalsContact OD1-N 3.13Å
39E86.9Confident90.5Very high73 Ų7372.1 Ų72.134%0.34134%0.34SS..G310 helixtrans-101.113.9-177.3-62.3174.2153.300112.8L3 R37 Q41 E42 R43L3-E39 HydrophobicContact CD1-CB 3.72Å; L3-E39 HydrophobicContact CD1-CG 4.15Å; R37-E39 PolarHBondContact O-N 3.26Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.11Å; E39-E42 WeakPolarHBondContact CA-OE2 3.48Å; E39-E42 PolarHBondContact O-N 3.46Å; E39-R43 WeakPolarHBondContact O-CG 3.31Å; E39-R43 PolarHBondContact O-N 3.07Å; E39-R43 PolarHBondContact O-NH1 3.11Å
40E89.3Confident90.6Very high44 Ų4470.3 Ų70.321%0.20633%0.331CS..Hα-helixtrans-59.8-43.7-176.5-174.4-166.4140.100112R37 R43 K44 E78R37-E40 WeakPolarHBondContact O-CB 2.93Å; R37-E40 PolarHBondContact O-N 3.47Å; E40-R43 PolarHBondContact O-N 3.23Å; E40-K44 WeakPolarHBondContact O-CG 3.27Å; E40-K44 PolarHBondContact O-N 3.24Å; E40-K44 VanDerWaalsContact OE1-CE 3.27Å; E40-K44 WeakPolarHBondContact OE1-CE 3.18Å; E40-K44 IonicContact OE1-NZ 3.63Å; E40-K44 PolarHBondContact OE1-NZ 2.96Å; E40-E78 HydrophobicContact CG-CB 4.24Å
41Q90.6Very high90.8Very high134 Ų13469.6 Ų69.663%0.62632%0.324SS*.Hα-helixtrans-66.3-43.4-179.6-70.6-67.7-25.900111.3E39 R43 K44 R45E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.11Å; Q41-R43 VanDerWaalsContact C-N 3.32Å; Q41-R43 PolarHBondContact O-N 2.9Å; Q41-K44 PolarHBondContact O-N 2.9Å; Q41-R45 WeakPolarHBondContact O-CB 3.43Å; Q41-R45 PolarHBondContact O-N 3.16Å
42E92.8Very high90.9Very high32 Ų3264.5 Ų64.515%0.1530%0.304CS..Hα-helixtrans-59.8-41.9174.1-70.388.9163.400111.5L3 R4 I7 E39 R45 L46L3-E42 HydrophobicContact CB-CB 3.99Å; L3-E42 HydrophobicContact CD1-CB 4.35Å; R4-E42 HydrophobicContact CG-CG 4.1Å; R4-E42 IonicContact CZ-OE1 2.64Å; R4-E42 IonicContact NE-OE1 3.97Å; R4-E42 PolarHBondContact NE-OE1 2.88Å; R4-E42 IonicContact NH2-OE1 3.41Å; R4-E42 PolarHBondContact NH2-OE1 3.4Å; I7-E42 HydrophobicContact CD1-CB 3.87Å; I7-E42 HydrophobicContact CD1-CG 4.25Å; I7-E42 WeakPolarHBondContact CD1-O 3.44Å; E39-E42 WeakPolarHBondContact CA-OE2 3.48Å; E39-E42 PolarHBondContact O-N 3.46Å; E42-R45 PolarHBondContact O-N 3.04Å; E42-L46 WeakPolarHBondContact O-CB 3.44Å; E42-L46 PolarHBondContact O-N 3.24Å
43R93.5Very high91Very high8 Ų863.4 Ų63.43%0.0330%0.297CS..Hα-helixtrans-65.2-41.8176.5-73.3-165.7-58.9-77.41113L3 N36 E39 E40 Q41 R45 L46 G47 L73 D76 C79L3-R43 HydrophobicContact CD1-CG 3.85Å; L3-R43 HydrophobicContact CD2-CG 4.44Å; N36-R43 VanDerWaalsContact O-CZ 3.25Å; N36-R43 PolarHBondContact O-NH1 2.9Å; N36-R43 PolarHBondContact O-NH2 3.45Å; E39-R43 WeakPolarHBondContact O-CG 3.31Å; E39-R43 PolarHBondContact O-N 3.07Å; E39-R43 PolarHBondContact O-NH1 3.11Å; E40-R43 PolarHBondContact O-N 3.23Å; Q41-R43 VanDerWaalsContact C-N 3.32Å; Q41-R43 PolarHBondContact O-N 2.9Å; R43-R45 VanDerWaalsContact C-N 3.32Å; R43-R45 PolarHBondContact O-N 3.03Å; R43-L46 PolarHBondContact O-N 3.43Å; R43-G47 PolarHBondContact O-N 2.86Å; R43-L73 HydrophobicContact CB-CD2 4.1Å; R43-L73 HydrophobicContact CG-CD2 4.1Å; R43-D76 IonicContact CZ-OD2 2.7Å; R43-D76 IonicContact NE-OD2 2.86Å; R43-D76 PolarHBondContact NE-OD2 2.82Å; R43-D76 IonicContact NH2-OD2 2.65Å; R43-D76 PolarHBondContact NH2-OD2 3.32Å; R43-C79 VanDerWaalsContact CB-SG 3.6Å
44K92.9Very high91.1Very high31 Ų3157.2 Ų57.214%0.13527%0.27CS..Hα-helixtrans-60.2-45.8175-73.3-178.1-176.1-171.80110.8E40 Q41 L46 G47 E48 E78 C79 D81 P82E40-K44 WeakPolarHBondContact O-CG 3.27Å; E40-K44 PolarHBondContact O-N 3.24Å; E40-K44 VanDerWaalsContact OE1-CE 3.27Å; E40-K44 WeakPolarHBondContact OE1-CE 3.18Å; E40-K44 IonicContact OE1-NZ 3.63Å; E40-K44 PolarHBondContact OE1-NZ 2.96Å; Q41-K44 PolarHBondContact O-N 2.9Å; K44-L46 VanDerWaalsContact C-N 3.35Å; K44-L46 PolarHBondContact O-N 3.46Å; K44-G47 PolarHBondContact O-N 3.13Å; K44-G47 VanDerWaalsContact O-N 3.12Å; K44-E48 PolarHBondContact O-N 3.14Å; K44-E78 WeakPolarHBondContact CE-O 3.42Å; K44-E78 PolarHBondContact NZ-O 3.39Å; K44-C79 PolarHBondContact N-SG 2.83Å; K44-D81 WeakPolarHBondContact CE-OD2 3.49Å; K44-D81 IonicContact NZ-OD2 3.85Å; K44-D81 PolarHBondContact NZ-OD2 2.64Å; K44-P82 HydrophobicContact CB-CG 4.31Å; K44-P82 WeakPolarHBondContact O-CG 3.43Å
45R94Very high91.2Very high104 Ų10455.8 Ų55.839%0.39227%0.265SS..Hα-helixtrans-61.1-42.9177.3-177.357176.9172.92112.3I7 E11 Q41 E42 R43 G47 E48 L49I7-R45 HydrophobicContact CD1-CB 4.29Å; I7-R45 HydrophobicContact CD1-CG 4.31Å; I7-R45 HydrophobicContact CG2-CG 4.16Å; E11-R45 IonicContact OE1-CZ 3.06Å; E11-R45 IonicContact OE1-NE 2.86Å; E11-R45 IonicContact OE1-NH2 3.93Å; E11-R45 PolarHBondContact OE1-NH2 3.49Å; Q41-R45 WeakPolarHBondContact O-CB 3.43Å; Q41-R45 PolarHBondContact O-N 3.16Å; E42-R45 PolarHBondContact O-N 3.04Å; R43-R45 VanDerWaalsContact C-N 3.32Å; R43-R45 PolarHBondContact O-N 3.03Å; R45-G47 VanDerWaalsContact C-N 3.31Å; R45-G47 PolarHBondContact O-N 3.49Å; R45-E48 IonicContact NH1-OE2 3.88Å; R45-E48 PolarHBondContact NH1-OE2 3.35Å; R45-E48 PolarHBondContact O-N 2.78Å; R45-L49 WeakPolarHBondContact O-CG 3.44Å; R45-L49 PolarHBondContact O-N 3.49Å; R45-L49 VanDerWaalsContact O-N 3.1Å
46L94.3Very high91.2Very high0 Ų057.4 Ų57.40%027%0.272CS..Hα-helixtrans-59.9-42.9173.8-17860.3000111.3L3 I6 I7 M10 F25 E42 R43 K44 E48 L49 V50 T69 L73L3-L46 HydrophobicContact CD2-CD2 3.72Å; I6-L46 HydrophobicContact CG2-CD1 3.77Å; I6-L46 HydrophobicContact CG2-CD2 4.32Å; I7-L46 HydrophobicContact CG1-CB 4.29Å; I7-L46 HydrophobicContact CG1-CD1 4.46Å; M10-L46 HydrophobicContact SD-CD1 3.28Å; M10-L46 WeakPolarHBondContact SD-CD1 3.33Å; F25-L46 HydrophobicContact CZ-CD2 4.42Å; E42-L46 WeakPolarHBondContact O-CB 3.44Å; E42-L46 PolarHBondContact O-N 3.24Å; R43-L46 PolarHBondContact O-N 3.43Å; K44-L46 VanDerWaalsContact C-N 3.35Å; K44-L46 PolarHBondContact O-N 3.46Å; L46-E48 PolarHBondContact O-N 3.5Å; L46-L49 PolarHBondContact O-N 2.97Å; L46-V50 HydrophobicContact CD1-CG2 4.28Å; L46-V50 HydrophobicContact CG-CG2 4.41Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.36Å; L46-V50 PolarHBondContact O-N 3.34Å; L46-T69 HydrophobicContact CD2-CG2 4.34Å; L46-L73 HydrophobicContact CB-CD1 4.42Å; L46-L73 HydrophobicContact CD2-CD1 4.3Å; L46-L73 HydrophobicContact CD2-CD2 4.47Å; L46-L73 HydrophobicContact CG-CD1 4.14Å
47G94Very high91.2Very high0 Ų062.8 Ų62.80%029%0.294CS..Hα-helixtrans-59.6-43.6176.200000113.6R43 K44 R45 V50 L51R43-G47 PolarHBondContact O-N 2.86Å; K44-G47 PolarHBondContact O-N 3.13Å; K44-G47 VanDerWaalsContact O-N 3.12Å; R45-G47 VanDerWaalsContact C-N 3.31Å; R45-G47 PolarHBondContact O-N 3.49Å; G47-V50 PolarHBondContact O-N 3.16Å; G47-L51 WeakPolarHBondContact O-CG 3.4Å; G47-L51 PolarHBondContact O-N 3.5Å
48E94.2Very high91.3Very high97 Ų9755.1 Ų55.145%0.45327%0.268SS..Hα-helixtrans-60.1-45.4174.1-67.3173.9173.700112.1K44 R45 L46 L51 S52 P82K44-E48 PolarHBondContact O-N 3.14Å; R45-E48 IonicContact NH1-OE2 3.88Å; R45-E48 PolarHBondContact NH1-OE2 3.35Å; R45-E48 PolarHBondContact O-N 2.78Å; L46-E48 PolarHBondContact O-N 3.5Å; E48-L51 PolarHBondContact O-N 3.44Å; E48-S52 PolarHBondContact O-N 3.22Å; E48-P82 HydrophobicContact CG-CB 4.1Å; E48-P82 HydrophobicContact CG-CG 4.22Å
49L94.3Very high91.5Very high17 Ų1751.3 Ų51.39%0.08925%0.25CC..Hα-helixtrans-63.9-45.9179.2-72.2172.5000111.1I7 M10 E11 R45 L46 L51 S52 F53I7-L49 HydrophobicContact CB-CD1 4.45Å; I7-L49 HydrophobicContact CG2-CD1 3.83Å; M10-L49 HydrophobicContact CB-CD1 4.16Å; M10-L49 HydrophobicContact CE-CB 4.13Å; E11-L49 HydrophobicContact CG-CD1 3.9Å; E11-L49 HydrophobicContact CG-CD2 4.12Å; R45-L49 WeakPolarHBondContact O-CG 3.44Å; R45-L49 PolarHBondContact O-N 3.49Å; R45-L49 VanDerWaalsContact O-N 3.1Å; L46-L49 PolarHBondContact O-N 2.97Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 3.48Å; L49-S52 WeakPolarHBondContact O-CB 3.48Å; L49-S52 PolarHBondContact O-N 2.85Å; L49-S52 VanDerWaalsContact O-N 3.11Å; L49-S52 PolarHBondContact O-OG 3.37Å; L49-F53 WeakPolarHBondContact O-CD2 3.32Å; L49-F53 PolarHBondContact O-N 3.14Å
50V94.7Very high91.6Very high0 Ų051.9 Ų51.90%026%0.26CS..Hα-helixtrans-60-43.7177.1174.50000111M10 L46 G47 S52 F53 L54 C66 T69 V70M10-V50 HydrophobicContact CE-CG2 3.74Å; M10-V50 HydrophobicContact SD-CG2 4.12Å; L46-V50 HydrophobicContact CD1-CG2 4.28Å; L46-V50 HydrophobicContact CG-CG2 4.41Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.36Å; L46-V50 PolarHBondContact O-N 3.34Å; G47-V50 PolarHBondContact O-N 3.16Å; V50-S52 VanDerWaalsContact C-N 3.3Å; V50-S52 PolarHBondContact O-N 3.5Å; V50-F53 WeakPolarHBondContact O-CB 3.42Å; V50-F53 PolarHBondContact O-N 3.22Å; V50-L54 HydrophobicContact CG1-CD1 4.26Å; V50-L54 WeakPolarHBondContact O-CG 3.39Å; V50-L54 PolarHBondContact O-N 3.03Å; V50-C66 HydrophobicContact CG1-CB 3.84Å; V50-C66 WeakPolarHBondContact CG1-O 3.28Å; V50-T69 HydrophobicContact CG2-CG2 3.95Å; V50-V70 HydrophobicContact CG1-CG2 3.49Å; V50-V70 VanDerWaalsContact CG1-CG2 3.49Å
51L92.9Very high91.6Very high26 Ų2652.2 Ų52.214%0.13627%0.267CS..Hα-helixtrans-63.1-36.3175.3-75.5171.1000112.6G47 E48 L49 F53 L54 S55 P82 F83 A88G47-L51 WeakPolarHBondContact O-CG 3.4Å; G47-L51 PolarHBondContact O-N 3.5Å; E48-L51 PolarHBondContact O-N 3.44Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 3.48Å; L51-F53 VanDerWaalsContact C-N 3.34Å; L51-L54 HydrophobicContact CD2-CD1 4.33Å; L51-L54 PolarHBondContact O-N 3.12Å; L51-S55 PolarHBondContact O-N 3.46Å; L51-P82 HydrophobicContact CD1-CB 4.01Å; L51-P82 WeakPolarHBondContact CD1-O 3.15Å; L51-F83 HydrophobicContact CD1-CD1 3.68Å; L51-F83 HydrophobicContact CD1-CE1 3.99Å; L51-F83 HydrophobicContact CD2-CD1 4.06Å; L51-F83 HydrophobicContact CD2-CE1 4.38Å; L51-F83 HydrophobicContact CG-CD1 3.93Å; L51-F83 HydrophobicContact CG-CE1 3.94Å; L51-A88 HydrophobicContact CD1-CB 3.88Å; L51-A88 HydrophobicContact CD2-CB 3.87Å
52S91.9Very high91.6Very high40 Ų4045.9 Ų45.928%0.2824%0.237SC..Hα-helixtrans-64.8-38.817580.60000111.9E48 L49 V50 S55E48-S52 PolarHBondContact O-N 3.22Å; L49-S52 WeakPolarHBondContact O-CB 3.48Å; L49-S52 PolarHBondContact O-N 2.85Å; L49-S52 VanDerWaalsContact O-N 3.11Å; L49-S52 PolarHBondContact O-OG 3.37Å; V50-S52 VanDerWaalsContact C-N 3.3Å; V50-S52 PolarHBondContact O-N 3.5Å; S52-S55 PolarHBondContact O-N 3.27Å; S52-S55 PolarHBondContact O-OG 3.23Å
53F92.5Very high91.7Very high3 Ų345.5 Ų45.51%0.01324%0.236CC..Hα-helixtrans-64.5-42.6172.9-90.4-110.5000111.6M10 A18 L49 V50 L51 S55 K56 L58M10-F53 HydrophobicContact CE-CD2 4Å; M10-F53 HydrophobicContact CE-CE2 4.12Å; M10-F53 HydrophobicContact CE-CG 4.42Å; M10-F53 WeakPolarHBondContact O-CE2 3.46Å; A18-F53 HydrophobicContact CB-CE1 3.79Å; A18-F53 HydrophobicContact CB-CZ 4.02Å; L49-F53 WeakPolarHBondContact O-CD2 3.32Å; L49-F53 PolarHBondContact O-N 3.14Å; V50-F53 WeakPolarHBondContact O-CB 3.42Å; V50-F53 PolarHBondContact O-N 3.22Å; L51-F53 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.17Å; F53-S55 VanDerWaalsContact O-N 3.11Å; F53-K56 WeakPolarHBondContact O-CB 3.34Å; F53-K56 PolarHBondContact O-N 2.84Å; F53-L58 HydrophobicContact CB-CD1 4.32Å; F53-L58 HydrophobicContact CB-CD2 4.3Å; F53-L58 HydrophobicContact CD1-CD2 3.81Å; F53-L58 WeakPolarHBondContact O-CD1 3.39Å; F53-L58 WeakPolarHBondContact O-CG 3.49Å
54L91.5Very high91.6Very high3 Ų346.7 Ų46.72%0.01624%0.243CC..THydrogen-bonded Turntrans-64-12.1176.2-69.8174.9000113.7V50 L51 L58 L63 C66 L67 V70 T91 Y95V50-L54 HydrophobicContact CG1-CD1 4.26Å; V50-L54 WeakPolarHBondContact O-CG 3.39Å; V50-L54 PolarHBondContact O-N 3.03Å; L51-L54 HydrophobicContact CD2-CD1 4.33Å; L51-L54 PolarHBondContact O-N 3.12Å; L54-L58 HydrophobicContact CD2-CD1 4.32Å; L54-L63 HydrophobicContact CD2-CD1 3.48Å; L54-L63 VanDerWaalsContact CD2-CD1 3.48Å; L54-C66 HydrophobicContact CD2-CB 3.76Å; L54-C66 HydrophobicContact CG-CB 4.14Å; L54-L67 HydrophobicContact CD1-CD2 4.01Å; L54-L67 HydrophobicContact CD2-CD2 4.08Å; L54-L67 HydrophobicContact CD2-CG 4.13Å; L54-V70 HydrophobicContact CD1-CG2 3.9Å; L54-T91 HydrophobicContact CB-CG2 4.09Å; L54-Y95 HydrophobicContact CB-CE2 4.11Å; L54-Y95 HydrophobicContact CD2-CE2 3.97Å; L54-Y95 PolarHBondContact O-OH 3.46Å
55S87.4Confident91.7Very high90 Ų9045.3 Ų45.363%0.62924%0.237SC*.THydrogen-bonded Turntrans-89.3-5.5171.873.60000113.8L51 S52 F53L51-S55 PolarHBondContact O-N 3.46Å; S52-S55 PolarHBondContact O-N 3.27Å; S52-S55 PolarHBondContact O-OG 3.23Å; F53-S55 PolarHBondContact O-N 3.17Å; F53-S55 VanDerWaalsContact O-N 3.11Å
56K88.6Confident91.8Very high74 Ų7440.3 Ų40.332%0.32222%0.219SC..SBendtrans-105.1165.9-179.7-60.3178.4-176.4178.90110.8E13 F53 L58E13-K56 IonicContact OE1-NZ 2.78Å; E13-K56 PolarHBondContact OE1-NZ 3.37Å; E13-K56 IonicContact OE2-NZ 2.84Å; E13-K56 PolarHBondContact OE2-NZ 3.29Å; F53-K56 WeakPolarHBondContact O-CB 3.34Å; F53-K56 PolarHBondContact O-N 2.84Å; K56-L58 PolarHBondContact O-N 3.44Å
57E86.4Confident91.9Very high187 Ų18740.3 Ų40.387%0.87422%0.219SC*.  trans-72.8115.6168.4-71.8-176.7179.900110Q15Q15-E57 PolarHBondContact NE2-O 2.89Å
58L88Confident91.9Very high30 Ų3043 Ų4316%0.15723%0.231CC..  trans-112.2148.6-177-63.4178.6000111.5Q15 F53 L54 K56 C62 L63Q15-L58 HydrophobicContact CG-CD2 4.26Å; F53-L58 HydrophobicContact CB-CD1 4.32Å; F53-L58 HydrophobicContact CB-CD2 4.3Å; F53-L58 HydrophobicContact CD1-CD2 3.81Å; F53-L58 WeakPolarHBondContact O-CD1 3.39Å; F53-L58 WeakPolarHBondContact O-CG 3.49Å; L54-L58 HydrophobicContact CD2-CD1 4.32Å; K56-L58 PolarHBondContact O-N 3.44Å; L58-C62 HydrophobicContact CB-CB 4.5Å; L58-L63 HydrophobicContact CB-CB 4.17Å; L58-L63 HydrophobicContact CD1-CB 4.36Å; L58-L63 HydrophobicContact CD1-CD1 4.34Å
59Q89.9Confident92Very high85 Ų8538.4 Ų38.440%0.39721%0.209SC..  trans-58.5144.8162.4-67.8178.22.100110.5S61 C62 L63Q59-S61 VanDerWaalsContact C-N 3.3Å; Q59-S61 PolarHBondContact O-N 3.26Å; Q59-C62 HydrophobicContact CB-CB 4.28Å; Q59-C62 WeakPolarHBondContact O-CA 3.43Å; Q59-C62 WeakPolarHBondContact O-CB 3.43Å; Q59-C62 PolarHBondContact O-N 3.1Å; Q59-L63 PolarHBondContact O-N 3.34Å
60P89Confident92.1Very high84 Ų8437.6 Ų37.655%0.54521%0.205SC..Hα-helixtrans-54-40.8-176.3-28.634.9000114.5L63 L64P60-L63 PolarHBondContact O-N 3Å; P60-L64 PolarHBondContact O-N 3.45Å
61S89.9Confident92.2Very high52 Ų5239.2 Ų39.236%0.36421%0.211SC..Hα-helixtrans-65.2-39.1176.549.80000112.9L19 Q59 A65L19-S61 WeakPolarHBondContact CD1-O 3.46Å; Q59-S61 VanDerWaalsContact C-N 3.3Å; Q59-S61 PolarHBondContact O-N 3.26Å; S61-A65 WeakPolarHBondContact O-CB 3.47Å; S61-A65 PolarHBondContact O-N 3.47Å
62C91.8Very high92.3Very high0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-69.2-41.5177-1660000111L58 Q59 A65 C66L58-C62 HydrophobicContact CB-CB 4.5Å; Q59-C62 HydrophobicContact CB-CB 4.28Å; Q59-C62 WeakPolarHBondContact O-CA 3.43Å; Q59-C62 WeakPolarHBondContact O-CB 3.43Å; Q59-C62 PolarHBondContact O-N 3.1Å; C62-A65 PolarHBondContact O-N 3.48Å; C62-C66 WeakPolarHBondContact O-CB 3.32Å; C62-C66 PolarHBondContact O-N 2.91Å; C62-C66 PolarHBondContact O-SG 3.5Å
63L93Very high92.4Very high24 Ų2436 Ų3613%0.12619%0.192CC..Hα-helixtrans-58-50.1174174.460.9000111.6L54 L58 Q59 P60 C66 L67 Y95 V146L54-L63 HydrophobicContact CD2-CD1 3.48Å; L54-L63 VanDerWaalsContact CD2-CD1 3.48Å; L58-L63 HydrophobicContact CB-CB 4.17Å; L58-L63 HydrophobicContact CD1-CB 4.36Å; L58-L63 HydrophobicContact CD1-CD1 4.34Å; Q59-L63 PolarHBondContact O-N 3.34Å; P60-L63 PolarHBondContact O-N 3Å; L63-C66 WeakPolarHBondContact O-CB 3.49Å; L63-C66 PolarHBondContact O-N 3.31Å; L63-L67 HydrophobicContact CD1-CD1 4.12Å; L63-L67 HydrophobicContact CD1-CG 4.38Å; L63-L67 HydrophobicContact CG-CD1 4.31Å; L63-L67 PolarHBondContact O-N 3.32Å; L63-Y95 HydrophobicContact CD1-CD1 4Å; L63-Y95 HydrophobicContact CD1-CE1 3.51Å; L63-Y95 HydrophobicContact CD1-CE2 4.14Å; L63-Y95 HydrophobicContact CD2-CD1 4.14Å; L63-Y95 HydrophobicContact CD2-CE1 3.81Å; L63-Y95 HydrophobicContact CG-CE1 4.31Å; L63-V146 HydrophobicContact CD2-CG1 4Å; L63-V146 HydrophobicContact CD2-CG2 4.04Å; L63-V146 HydrophobicContact CG-CG1 4.39Å; L63-V146 HydrophobicContact CG-CG2 4.29Å
64L93.1Very high92.5Very high33 Ų3335.9 Ų35.917%0.17319%0.191CC..Hα-helixtrans-61.7-46.7179.3-17663.3000111.5P60 C66 L67 E68 E145 V146 E149P60-L64 PolarHBondContact O-N 3.45Å; L64-C66 VanDerWaalsContact C-N 3.29Å; L64-C66 PolarHBondContact O-N 2.91Å; L64-L67 PolarHBondContact O-N 3.29Å; L64-L67 VanDerWaalsContact O-N 3.16Å; L64-E68 WeakPolarHBondContact O-CG 3.37Å; L64-E68 PolarHBondContact O-N 2.92Å; L64-E145 HydrophobicContact CD1-CB 3.93Å; L64-E145 HydrophobicContact CD2-CB 4.43Å; L64-E145 WeakPolarHBondContact CD2-OE2 3.36Å; L64-V146 HydrophobicContact CD1-CG2 4.47Å; L64-E149 HydrophobicContact CD1-CG 3.96Å
65A94Very high92.7Very high2 Ų237.4 Ų37.42%0.01720%0.196CC..Hα-helixtrans-60.6-37.7177.300000112.5L19 L22 Q23 N26 S61 C62 T69L19-A65 HydrophobicContact CD1-CB 3.81Å; L22-A65 HydrophobicContact CB-CB 4.18Å; Q23-A65 HydrophobicContact CG-CB 4.32Å; N26-A65 PolarHBondContact ND2-O 2.93Å; S61-A65 WeakPolarHBondContact O-CB 3.47Å; S61-A65 PolarHBondContact O-N 3.47Å; C62-A65 PolarHBondContact O-N 3.48Å; A65-T69 WeakPolarHBondContact O-CB 3.35Å; A65-T69 PolarHBondContact O-N 3.17Å; A65-T69 PolarHBondContact O-OG1 2.9Å
66C95.8Very high92.9Very high0 Ų033.9 Ų33.90%017%0.171CC..Hα-helixtrans-61.6-49.6173.2-72.80000111.2V50 L54 C62 L63 L64 E68 T69 V70V50-C66 HydrophobicContact CG1-CB 3.84Å; V50-C66 WeakPolarHBondContact CG1-O 3.28Å; L54-C66 HydrophobicContact CD2-CB 3.76Å; L54-C66 HydrophobicContact CG-CB 4.14Å; C62-C66 WeakPolarHBondContact O-CB 3.32Å; C62-C66 PolarHBondContact O-N 2.91Å; C62-C66 PolarHBondContact O-SG 3.5Å; L63-C66 WeakPolarHBondContact O-CB 3.49Å; L63-C66 PolarHBondContact O-N 3.31Å; L64-C66 VanDerWaalsContact C-N 3.29Å; L64-C66 PolarHBondContact O-N 2.91Å; C66-E68 PolarHBondContact O-N 3.11Å; C66-T69 WeakPolarHBondContact O-CA 3.47Å; C66-T69 VanDerWaalsContact O-CB 3.3Å; C66-T69 WeakPolarHBondContact O-CB 3.37Å; C66-T69 PolarHBondContact O-N 2.95Å; C66-T69 VanDerWaalsContact O-N 3.12Å; C66-V70 WeakPolarHBondContact O-CG2 3.42Å; C66-V70 PolarHBondContact O-N 2.96Å
67L96Very high92.9Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-66.2-38.4-178.9-70.3171.4000113L54 L63 L64 T69 V70 R71 L92 Y95 V146 E149 A150L54-L67 HydrophobicContact CD1-CD2 4.01Å; L54-L67 HydrophobicContact CD2-CD2 4.08Å; L54-L67 HydrophobicContact CD2-CG 4.13Å; L63-L67 HydrophobicContact CD1-CD1 4.12Å; L63-L67 HydrophobicContact CD1-CG 4.38Å; L63-L67 HydrophobicContact CG-CD1 4.31Å; L63-L67 PolarHBondContact O-N 3.32Å; L64-L67 PolarHBondContact O-N 3.29Å; L64-L67 VanDerWaalsContact O-N 3.16Å; L67-T69 VanDerWaalsContact C-N 3.27Å; L67-T69 PolarHBondContact O-N 3.15Å; L67-V70 PolarHBondContact O-N 2.66Å; L67-R71 PolarHBondContact O-N 2.89Å; L67-L92 HydrophobicContact CD2-CD2 3.83Å; L67-Y95 HydrophobicContact CD2-CD2 4.5Å; L67-V146 HydrophobicContact CD1-CB 4.26Å; L67-V146 HydrophobicContact CD1-CG1 3.57Å; L67-E149 HydrophobicContact CB-CB 3.84Å; L67-A150 HydrophobicContact CD2-CB 4.38Å
68E95.6Very high93Very high56 Ų5632.5 Ų32.526%0.26216%0.163SC..Hα-helixtrans-59.5-39.8170.9-75.4-178.9161.400111.7N26 L64 C66 R71 I72 E149N26-E68 WeakPolarHBondContact ND2-CB 3.35Å; N26-E68 PolarHBondContact ND2-OE2 3.21Å; L64-E68 WeakPolarHBondContact O-CG 3.37Å; L64-E68 PolarHBondContact O-N 2.92Å; C66-E68 PolarHBondContact O-N 3.11Å; E68-R71 WeakPolarHBondContact O-CB 3.47Å; E68-R71 PolarHBondContact O-N 3.24Å; E68-I72 WeakPolarHBondContact O-CG1 3.23Å; E68-I72 PolarHBondContact O-N 3.45Å; E68-E149 HydrophobicContact CG-CG 4.11Å
69T96Very high93Very high0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-64.7-46.4176.1-530000110.2L22 F25 N26 L46 V50 A65 C66 L67 R71 I72 L73L22-T69 HydrophobicContact CD2-CG2 4.02Å; F25-T69 HydrophobicContact CD1-CG2 4.09Å; F25-T69 HydrophobicContact CE1-CG2 3.95Å; N26-T69 WeakPolarHBondContact OD1-CA 3.27Å; N26-T69 PolarHBondContact OD1-OG1 3.12Å; L46-T69 HydrophobicContact CD2-CG2 4.34Å; V50-T69 HydrophobicContact CG2-CG2 3.95Å; A65-T69 WeakPolarHBondContact O-CB 3.35Å; A65-T69 PolarHBondContact O-N 3.17Å; A65-T69 PolarHBondContact O-OG1 2.9Å; C66-T69 WeakPolarHBondContact O-CA 3.47Å; C66-T69 VanDerWaalsContact O-CB 3.3Å; C66-T69 WeakPolarHBondContact O-CB 3.37Å; C66-T69 PolarHBondContact O-N 2.95Å; C66-T69 VanDerWaalsContact O-N 3.12Å; L67-T69 VanDerWaalsContact C-N 3.27Å; L67-T69 PolarHBondContact O-N 3.15Å; T69-R71 VanDerWaalsContact C-N 3.31Å; T69-R71 PolarHBondContact O-N 3Å; T69-I72 PolarHBondContact O-N 3.37Å; T69-I72 VanDerWaalsContact O-N 3.15Å; T69-L73 HydrophobicContact CG2-CD1 4.02Å; T69-L73 HydrophobicContact CG2-CG 4.32Å; T69-L73 WeakPolarHBondContact O-CG 3.48Å; T69-L73 PolarHBondContact O-N 3.42Å
70V96.4Very high93.1Very high0 Ų027.4 Ų27.40%014%0.139CC..Hα-helixtrans-56.2-46.7173.9176.70000110.4V50 L54 C66 L67 I72 L73 T74 F83 L92V50-V70 HydrophobicContact CG1-CG2 3.49Å; V50-V70 VanDerWaalsContact CG1-CG2 3.49Å; L54-V70 HydrophobicContact CD1-CG2 3.9Å; C66-V70 WeakPolarHBondContact O-CG2 3.42Å; C66-V70 PolarHBondContact O-N 2.96Å; L67-V70 PolarHBondContact O-N 2.66Å; V70-I72 VanDerWaalsContact C-N 3.29Å; V70-I72 PolarHBondContact O-N 2.75Å; V70-L73 PolarHBondContact O-N 2.85Å; V70-T74 HydrophobicContact CG1-CG2 3.91Å; V70-T74 WeakPolarHBondContact O-CB 3.36Å; V70-T74 WeakPolarHBondContact O-CG2 3.34Å; V70-T74 PolarHBondContact O-N 3.05Å; V70-T74 PolarHBondContact O-OG1 3.45Å; V70-F83 HydrophobicContact CB-CE1 4.26Å; V70-F83 HydrophobicContact CG1-CD1 3.82Å; V70-F83 HydrophobicContact CG1-CE1 3.73Å; V70-F83 HydrophobicContact CG1-CZ 4.4Å; V70-F83 HydrophobicContact CG2-CE1 3.92Å; V70-L92 HydrophobicContact CG1-CD2 4.35Å
71R95.8Very high93.2Very high34 Ų3428 Ų2813%0.12814%0.137CC..Hα-helixtrans-59.1-39.9178.3-177.2-174.657.880.910.7112.1L67 E68 T69 T74 R75 E149 K152 S153 N156L67-R71 PolarHBondContact O-N 2.89Å; E68-R71 WeakPolarHBondContact O-CB 3.47Å; E68-R71 PolarHBondContact O-N 3.24Å; T69-R71 VanDerWaalsContact C-N 3.31Å; T69-R71 PolarHBondContact O-N 3Å; R71-T74 WeakPolarHBondContact CA-OG1 3.2Å; R71-T74 PolarHBondContact O-OG1 2.9Å; R71-R75 WeakPolarHBondContact O-CG 3.2Å; R71-E149 WeakPolarHBondContact CD-OE2 3.16Å; R71-E149 IonicContact CZ-OE2 3.84Å; R71-E149 IonicContact NE-OE1 2.85Å; R71-E149 IonicContact NE-OE2 2.84Å; R71-E149 PolarHBondContact NE-OE2 3Å; R71-E149 IonicContact NH2-OE2 2.66Å; R71-K152 VanDerWaalsContact CD-CB 3.5Å; R71-K152 VanDerWaalsContact CD-CD 3.49Å; R71-K152 HydrophobicContact CG-CB 3.92Å; R71-S153 WeakPolarHBondContact CA-OG 3.41Å; R71-S153 WeakPolarHBondContact CB-OG 3.21Å; R71-S153 PolarHBondContact N-OG 2.93Å; R71-N156 PolarHBondContact O-ND2 3.05Å; R71-N156 VanDerWaalsContact O-ND2 3.13Å
72I95.4Very high93.3Very high0 Ų026.2 Ų26.20%012%0.124CC..Hα-helixtrans-67.9-49177.6-69.8166000110.4F25 N26 M29 F35 E68 T69 V70 T74 R75F25-I72 HydrophobicContact CE1-CD1 4.49Å; F25-I72 HydrophobicContact CE1-CG2 4.06Å; F25-I72 HydrophobicContact CZ-CG2 4.29Å; N26-I72 HydrophobicContact CB-CD1 4.22Å; M29-I72 HydrophobicContact CB-CD1 4.21Å; M29-I72 HydrophobicContact CB-CG2 3.86Å; F35-I72 HydrophobicContact CE1-CG2 4.31Å; F35-I72 HydrophobicContact CZ-CG2 4.39Å; F35-I72 WeakPolarHBondContact CZ-O 3.45Å; E68-I72 WeakPolarHBondContact O-CG1 3.23Å; E68-I72 PolarHBondContact O-N 3.45Å; T69-I72 PolarHBondContact O-N 3.37Å; T69-I72 VanDerWaalsContact O-N 3.15Å; V70-I72 VanDerWaalsContact C-N 3.29Å; V70-I72 PolarHBondContact O-N 2.75Å; I72-T74 VanDerWaalsContact C-N 3.31Å; I72-T74 PolarHBondContact O-N 3.5Å; I72-R75 WeakPolarHBondContact O-CB 3.17Å; I72-R75 PolarHBondContact O-N 3.49Å
73L95Very high93.5Very high0 Ų026.2 Ų26.20%012%0.124CC..Hα-helixtrans-64.4-35.5-177.9-66.3177.4000112.4F25 R43 L46 T69 V70 R75 D76 F83F25-L73 HydrophobicContact CZ-CD2 4.41Å; R43-L73 HydrophobicContact CB-CD2 4.1Å; R43-L73 HydrophobicContact CG-CD2 4.1Å; L46-L73 HydrophobicContact CB-CD1 4.42Å; L46-L73 HydrophobicContact CD2-CD1 4.3Å; L46-L73 HydrophobicContact CD2-CD2 4.47Å; L46-L73 HydrophobicContact CG-CD1 4.14Å; T69-L73 HydrophobicContact CG2-CD1 4.02Å; T69-L73 HydrophobicContact CG2-CG 4.32Å; T69-L73 WeakPolarHBondContact O-CG 3.48Å; T69-L73 PolarHBondContact O-N 3.42Å; V70-L73 PolarHBondContact O-N 2.85Å; L73-R75 PolarHBondContact O-N 2.72Å; L73-D76 WeakPolarHBondContact O-CB 3.37Å; L73-D76 PolarHBondContact O-N 3.31Å; L73-F83 HydrophobicContact CB-CE2 3.91Å; L73-F83 HydrophobicContact CB-CZ 3.94Å; L73-F83 HydrophobicContact CD1-CZ 3.98Å
74T94.8Very high93.5Very high0 Ų026.6 Ų26.60%013%0.126CC..THydrogen-bonded Turntrans-70.4-8.2178.752.70000114.3V70 R71 I72 D76 L80 F83 N156 I157V70-T74 HydrophobicContact CG1-CG2 3.91Å; V70-T74 WeakPolarHBondContact O-CB 3.36Å; V70-T74 WeakPolarHBondContact O-CG2 3.34Å; V70-T74 PolarHBondContact O-N 3.05Å; V70-T74 PolarHBondContact O-OG1 3.45Å; R71-T74 WeakPolarHBondContact CA-OG1 3.2Å; R71-T74 PolarHBondContact O-OG1 2.9Å; I72-T74 VanDerWaalsContact C-N 3.31Å; I72-T74 PolarHBondContact O-N 3.5Å; T74-D76 VanDerWaalsContact C-N 3.3Å; T74-L80 HydrophobicContact CG2-CD2 4.37Å; T74-F83 HydrophobicContact CG2-CB 4.34Å; T74-F83 HydrophobicContact CG2-CD1 4.45Å; T74-F83 HydrophobicContact CG2-CD2 3.75Å; T74-F83 HydrophobicContact CG2-CE2 4.14Å; T74-F83 HydrophobicContact CG2-CG 3.92Å; T74-N156 PolarHBondContact OG1-ND2 3.44Å; T74-I157 HydrophobicContact CG2-CD1 3.8Å; T74-I157 HydrophobicContact CG2-CG1 3.45Å; T74-I157 VanDerWaalsContact CG2-CG1 3.45Å
75R94Very high93.6Very high35 Ų3527.2 Ų27.213%0.13213%0.133CC..THydrogen-bonded Turntrans-74.5-22.8168.7-63.5166.7174.5177.3-9.3112.4S30 C32 F35 R71 I72 L73S30-R75 VanDerWaalsContact O-CZ 3.31Å; S30-R75 PolarHBondContact O-NH1 3.15Å; S30-R75 PolarHBondContact O-NH2 2.99Å; C32-R75 WeakPolarHBondContact O-CD 3.44Å; C32-R75 PolarHBondContact O-NH1 3.43Å; F35-R75 HydrophobicContact CE2-CB 3.85Å; F35-R75 HydrophobicContact CZ-CB 4.09Å; R71-R75 WeakPolarHBondContact O-CG 3.2Å; I72-R75 WeakPolarHBondContact O-CB 3.17Å; I72-R75 PolarHBondContact O-N 3.49Å; L73-R75 PolarHBondContact O-N 2.72Å
76D92.4Very high93.6Very high16 Ų1634.2 Ų34.29%0.08616%0.159CC..  trans-85.5112177-1744.3000110.1F35 R43 L73 T74 E78 C79F35-D76 HydrophobicContact CB-CB 4.41Å; F35-D76 HydrophobicContact CD1-CB 4.48Å; F35-D76 HydrophobicContact CD2-CB 3.54Å; F35-D76 HydrophobicContact CE2-CB 3.84Å; F35-D76 HydrophobicContact CG-CB 3.89Å; F35-D76 HydrophobicContact CZ-CB 4.43Å; R43-D76 IonicContact CZ-OD2 2.7Å; R43-D76 IonicContact NE-OD2 2.86Å; R43-D76 PolarHBondContact NE-OD2 2.82Å; R43-D76 IonicContact NH2-OD2 2.65Å; R43-D76 PolarHBondContact NH2-OD2 3.32Å; L73-D76 WeakPolarHBondContact O-CB 3.37Å; L73-D76 PolarHBondContact O-N 3.31Å; T74-D76 VanDerWaalsContact C-N 3.3Å; D76-E78 PolarHBondContact O-N 2.77Å; D76-E78 PolarHBondContact OD1-N 3.02Å; D76-C79 HydrophobicContact CB-CB 3.82Å; D76-C79 PolarHBondContact O-N 3.35Å
77K89Confident93.5Very high138 Ų13838.2 Ų38.260%0.619%0.187SC*.G310 helixtrans-61.1-30.7-177.5-62.7-179.8-177.9179.20112.7C79 H160K77-C79 VanDerWaalsContact C-N 3.3Å; K77-H160 HydrophobicContact CG-CB 4.32Å
78E87.4Confident93.4Very high94 Ų9438.4 Ų38.444%0.43919%0.189SC..G310 helixtrans-80.5-14.7-178.9-54.2-61.6157.300111.8E40 K44 D76E40-E78 HydrophobicContact CG-CB 4.24Å; K44-E78 WeakPolarHBondContact CE-O 3.42Å; K44-E78 PolarHBondContact NZ-O 3.39Å; D76-E78 PolarHBondContact O-N 2.77Å; D76-E78 PolarHBondContact OD1-N 3.02Å
79C89.1Confident93.4Very high0 Ų035.7 Ų35.70%018%0.176CC..G310 helixtrans-102.813.8-174.6-165.10000113.6R43 K44 D76 K77 D81 P82R43-C79 VanDerWaalsContact CB-SG 3.6Å; K44-C79 PolarHBondContact N-SG 2.83Å; D76-C79 HydrophobicContact CB-CB 3.82Å; D76-C79 PolarHBondContact O-N 3.35Å; K77-C79 VanDerWaalsContact C-N 3.3Å; C79-D81 PolarHBondContact O-N 2.87Å; C79-P82 VanDerWaalsContact O-CD 3.27Å; C79-P82 WeakPolarHBondContact O-CD 3.35Å
80L91.2Very high93.4Very high8 Ų839.2 Ų39.24%0.04219%0.194CC..  trans-76.4-21.5-173.9-67.8172.8000114.1T74 P82 F83 I84 I157 H160T74-L80 HydrophobicContact CG2-CD2 4.37Å; L80-P82 VanDerWaalsContact C-N 3.35Å; L80-P82 VanDerWaalsContact O-N 3.13Å; L80-F83 PolarHBondContact O-N 2.65Å; L80-I84 HydrophobicContact CB-CG2 4.11Å; L80-I84 WeakPolarHBondContact O-CG2 3.47Å; L80-I84 PolarHBondContact O-N 3.02Å; L80-I157 HydrophobicContact CD2-CG1 4.27Å; L80-H160 HydrophobicContact CD1-CB 3.4Å
81D91.3Very high93.2Very high96 Ų9641 Ų4151%0.51321%0.205SC..THydrogen-bonded Turntrans-46.7-43.6-173.2-61.6-34.5000115.2K44 C79 F83 I84K44-D81 WeakPolarHBondContact CE-OD2 3.49Å; K44-D81 IonicContact NZ-OD2 3.85Å; K44-D81 PolarHBondContact NZ-OD2 2.64Å; C79-D81 PolarHBondContact O-N 2.87Å; D81-F83 VanDerWaalsContact C-N 3.29Å; D81-F83 PolarHBondContact O-N 3.08Å; D81-I84 VanDerWaalsContact O-CG1 3.31Å; D81-I84 WeakPolarHBondContact O-CG1 3.38Å
82P92.4Very high93.2Very high15 Ų1539.3 Ų39.310%0.09720%0.199CC..THydrogen-bonded Turntrans-65-32.6178.8-20.934.6000113.1K44 E48 L51 C79 L80K44-P82 HydrophobicContact CB-CG 4.31Å; K44-P82 WeakPolarHBondContact O-CG 3.43Å; E48-P82 HydrophobicContact CG-CB 4.1Å; E48-P82 HydrophobicContact CG-CG 4.22Å; L51-P82 HydrophobicContact CD1-CB 4.01Å; L51-P82 WeakPolarHBondContact CD1-O 3.15Å; C79-P82 VanDerWaalsContact O-CD 3.27Å; C79-P82 WeakPolarHBondContact O-CD 3.35Å; L80-P82 VanDerWaalsContact C-N 3.35Å; L80-P82 VanDerWaalsContact O-N 3.13Å
83F95.1Very high93.2Very high0 Ų039.3 Ų39.30%020%0.199CC..THydrogen-bonded Turntrans-91.8-13-169.1-51.9-69.5000113.9L51 V70 L73 T74 L80 D81 S85 I157L51-F83 HydrophobicContact CD1-CD1 3.68Å; L51-F83 HydrophobicContact CD1-CE1 3.99Å; L51-F83 HydrophobicContact CD2-CD1 4.06Å; L51-F83 HydrophobicContact CD2-CE1 4.38Å; L51-F83 HydrophobicContact CG-CD1 3.93Å; L51-F83 HydrophobicContact CG-CE1 3.94Å; V70-F83 HydrophobicContact CB-CE1 4.26Å; V70-F83 HydrophobicContact CG1-CD1 3.82Å; V70-F83 HydrophobicContact CG1-CE1 3.73Å; V70-F83 HydrophobicContact CG1-CZ 4.4Å; V70-F83 HydrophobicContact CG2-CE1 3.92Å; L73-F83 HydrophobicContact CB-CE2 3.91Å; L73-F83 HydrophobicContact CB-CZ 3.94Å; L73-F83 HydrophobicContact CD1-CZ 3.98Å; T74-F83 HydrophobicContact CG2-CB 4.34Å; T74-F83 HydrophobicContact CG2-CD1 4.45Å; T74-F83 HydrophobicContact CG2-CD2 3.75Å; T74-F83 HydrophobicContact CG2-CE2 4.14Å; T74-F83 HydrophobicContact CG2-CG 3.92Å; L80-F83 PolarHBondContact O-N 2.65Å; D81-F83 VanDerWaalsContact C-N 3.29Å; D81-F83 PolarHBondContact O-N 3.08Å; F83-S85 VanDerWaalsContact C-N 3.33Å; F83-I157 HydrophobicContact CB-CD1 3.76Å; F83-I157 HydrophobicContact CB-CG1 4.2Å
84I94.4Very high93.1Very high32 Ų3245.8 Ų45.816%0.16423%0.229CC..THydrogen-bonded Turntrans-89.66.5-176.662.7167.5000113.4L80 D81 I157 S161 A164 I167L80-I84 HydrophobicContact CB-CG2 4.11Å; L80-I84 WeakPolarHBondContact O-CG2 3.47Å; L80-I84 PolarHBondContact O-N 3.02Å; D81-I84 VanDerWaalsContact O-CG1 3.31Å; D81-I84 WeakPolarHBondContact O-CG1 3.38Å; I84-I157 HydrophobicContact CG2-CG2 4.08Å; I84-S161 WeakPolarHBondContact CG2-OG 3.32Å; I84-A164 HydrophobicContact CG2-CB 4.12Å; I84-I167 WeakPolarHBondContact O-CD1 3.43Å
85S94.4Very high93Very high46 Ų4648.1 Ų48.132%0.32224%0.238SC..SBendtrans-75.9152.9174.9690000111.6F83 S87 A88 M89F83-S85 VanDerWaalsContact C-N 3.33Å; S85-S87 VanDerWaalsContact C-N 3.27Å; S85-S87 PolarHBondContact O-N 3.41Å; S85-S87 PolarHBondContact OG-OG 3.13Å; S85-A88 PolarHBondContact O-N 2.91Å; S85-A88 WeakPolarHBondContact OG-CB 3.3Å; S85-A88 PolarHBondContact OG-N 2.98Å; S85-M89 WeakPolarHBondContact O-CG 3.44Å; S85-M89 PolarHBondContact O-N 3.42Å
86R94.5Very high92.9Very high149 Ų14946.4 Ų46.456%0.56223%0.232SC*.Hα-helixtrans-58.6-38.7178.1-170.4-180-172-821.4112.2L90 I167 L171R86-L90 VanDerWaalsContact O-CB 3.29Å; R86-L90 WeakPolarHBondContact O-CB 3.27Å; R86-L90 PolarHBondContact O-N 3.19Å; R86-I167 HydrophobicContact CB-CG2 4.36Å; R86-I167 HydrophobicContact CG-CG2 4.35Å; R86-L171 HydrophobicContact CG-CD1 4.37Å; R86-L171 HydrophobicContact CG-CD2 4.07Å; R86-L171 HydrophobicContact CG-CG 4.43Å; R86-L171 VanDerWaalsContact CZ-CD2 3.44Å
87S93.5Very high92.8Very high83 Ų8348.1 Ų48.158%0.5825%0.253SS*.Hα-helixtrans-67.2-46.6176.849.70000111.8S85 M89 L90 T91S85-S87 VanDerWaalsContact C-N 3.27Å; S85-S87 PolarHBondContact O-N 3.41Å; S85-S87 PolarHBondContact OG-OG 3.13Å; S87-M89 PolarHBondContact O-N 3.18Å; S87-L90 PolarHBondContact O-N 3.13Å; S87-T91 PolarHBondContact O-N 2.95Å; S87-T91 PolarHBondContact O-OG1 3.45Å; S87-T91 VanDerWaalsContact O-OG1 3.07Å
88A94.4Very high92.9Very high4 Ų441.7 Ų41.73%0.03323%0.225CC..Hα-helixtrans-60.5-46.4178.800000111.8L51 S85 L90 T91 L92L51-A88 HydrophobicContact CD1-CB 3.88Å; L51-A88 HydrophobicContact CD2-CB 3.87Å; S85-A88 PolarHBondContact O-N 2.91Å; S85-A88 WeakPolarHBondContact OG-CB 3.3Å; S85-A88 PolarHBondContact OG-N 2.98Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 2.99Å; A88-T91 PolarHBondContact O-N 3.38Å; A88-L92 WeakPolarHBondContact O-CG 3.3Å; A88-L92 PolarHBondContact O-N 3.26Å
89M95.4Very high92.9Very high0 Ų038.6 Ų38.60%022%0.216CC..Hα-helixtrans-62.2-40.9176.6-71-67.4-71.800111.9S85 S87 L92 A93 I157 L158 A164 I167 A168 L171 F173S85-M89 WeakPolarHBondContact O-CG 3.44Å; S85-M89 PolarHBondContact O-N 3.42Å; S87-M89 PolarHBondContact O-N 3.18Å; M89-L92 PolarHBondContact O-N 3.34Å; M89-A93 WeakPolarHBondContact O-CB 3.27Å; M89-A93 PolarHBondContact O-N 3.03Å; M89-I157 HydrophobicContact SD-CD1 4.18Å; M89-I157 HydrophobicContact SD-CG2 3.99Å; M89-L158 HydrophobicContact CE-CD2 4.24Å; M89-A164 HydrophobicContact CE-CB 4.33Å; M89-A164 HydrophobicContact SD-CB 4.46Å; M89-I167 HydrophobicContact CB-CG2 3.89Å; M89-I167 HydrophobicContact CG-CG2 3.98Å; M89-A168 HydrophobicContact CE-CB 4.07Å; M89-L171 HydrophobicContact CB-CD1 3.87Å; M89-F173 HydrophobicContact CB-CZ 4.21Å; M89-F173 HydrophobicContact CE-CE2 3.59Å; M89-F173 HydrophobicContact CE-CZ 3.94Å; M89-F173 WeakPolarHBondContact O-CZ 3.4Å
90L94.7Very high92Very high73 Ų7342.4 Ų42.438%0.38223%0.233SC..Hα-helixtrans-64.9-41175.9-177.263.2000112.2R86 S87 A88 A93 H94 A99 L171R86-L90 VanDerWaalsContact O-CB 3.29Å; R86-L90 WeakPolarHBondContact O-CB 3.27Å; R86-L90 PolarHBondContact O-N 3.19Å; S87-L90 PolarHBondContact O-N 3.13Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 2.99Å; L90-A93 WeakPolarHBondContact O-CB 3.39Å; L90-A93 PolarHBondContact O-N 3.39Å; L90-H94 PolarHBondContact O-N 3.03Å; L90-A99 HydrophobicContact CD1-CB 4.36Å; L90-L171 HydrophobicContact CB-CD1 4.25Å; L90-L171 HydrophobicContact CD1-CD2 4.37Å
91T93.9Very high90.2Very high37 Ų3749.6 Ų49.623%0.22727%0.271CS..Hα-helixtrans-60.3-46.5174.9-62.10000111L54 S87 A88 A93 H94 Y95L54-T91 HydrophobicContact CB-CG2 4.09Å; S87-T91 PolarHBondContact O-N 2.95Å; S87-T91 PolarHBondContact O-OG1 3.45Å; S87-T91 VanDerWaalsContact O-OG1 3.07Å; A88-T91 PolarHBondContact O-N 3.38Å; T91-A93 VanDerWaalsContact C-N 3.33Å; T91-A93 PolarHBondContact O-N 3.36Å; T91-H94 WeakPolarHBondContact O-CB 3.41Å; T91-H94 PolarHBondContact O-N 3.26Å; T91-Y95 HydrophobicContact CG2-CD2 3.82Å; T91-Y95 HydrophobicContact CG2-CE2 3.49Å; T91-Y95 VanDerWaalsContact CG2-CE2 3.49Å; T91-Y95 WeakPolarHBondContact O-CD2 3.37Å; T91-Y95 PolarHBondContact O-N 3.3Å; T91-Y95 VanDerWaalsContact O-N 3.07Å
92L95.3Very high87.5Confident0 Ų049 Ų490%028%0.279CS..Hα-helixtrans-64.6-37175.8-65.9175.1000112.1L67 V70 A88 M89 H94 Y95 S96 I154 I157L67-L92 HydrophobicContact CD2-CD2 3.83Å; V70-L92 HydrophobicContact CG1-CD2 4.35Å; A88-L92 WeakPolarHBondContact O-CG 3.3Å; A88-L92 PolarHBondContact O-N 3.26Å; M89-L92 PolarHBondContact O-N 3.34Å; L92-H94 VanDerWaalsContact C-N 3.32Å; L92-H94 PolarHBondContact O-N 2.84Å; L92-Y95 PolarHBondContact O-N 3.26Å; L92-S96 WeakPolarHBondContact O-CB 3.5Å; L92-S96 PolarHBondContact O-N 2.75Å; L92-S96 PolarHBondContact O-OG 2.88Å; L92-I154 HydrophobicContact CB-CD1 3.96Å; L92-I154 HydrophobicContact CB-CG1 3.82Å; L92-I154 HydrophobicContact CD1-CG1 4.31Å; L92-I157 HydrophobicContact CD1-CD1 3.64Å
93A94.3Very high84.4Confident0 Ų052.3 Ų52.30%031%0.308CS..Hα-helixtrans-63.8-37.2174.600000112.3M89 L90 T91 S96 G97 I98 A99 F173M89-A93 WeakPolarHBondContact O-CB 3.27Å; M89-A93 PolarHBondContact O-N 3.03Å; L90-A93 WeakPolarHBondContact O-CB 3.39Å; L90-A93 PolarHBondContact O-N 3.39Å; T91-A93 VanDerWaalsContact C-N 3.33Å; T91-A93 PolarHBondContact O-N 3.36Å; A93-S96 VanDerWaalsContact CA-OG 3.29Å; A93-S96 WeakPolarHBondContact CA-OG 3.09Å; A93-S96 PolarHBondContact O-OG 2.86Å; A93-G97 PolarHBondContact O-N 3Å; A93-I98 HydrophobicContact CB-CG1 4.08Å; A93-I98 PolarHBondContact O-N 2.98Å; A93-A99 HydrophobicContact CB-CB 3.96Å; A93-A99 PolarHBondContact O-N 3.02Å; A93-A99 VanDerWaalsContact O-N 3.14Å; A93-F173 HydrophobicContact CB-CD1 4.28Å; A93-F173 HydrophobicContact CB-CE1 3.47Å; A93-F173 VanDerWaalsContact CB-CE1 3.47Å; A93-F173 HydrophobicContact CB-CZ 3.64Å
94H92.9Very high81.4Confident136 Ų13657.7 Ų57.763%0.6334%0.343SS*.Hα-helixtrans-66.1-48.3176.2-173.4-76.5000111L90 T91 L92 S96 G97 A99L90-H94 PolarHBondContact O-N 3.03Å; T91-H94 WeakPolarHBondContact O-CB 3.41Å; T91-H94 PolarHBondContact O-N 3.26Å; L92-H94 VanDerWaalsContact C-N 3.32Å; L92-H94 PolarHBondContact O-N 2.84Å; H94-S96 VanDerWaalsContact C-N 3.32Å; H94-S96 PolarHBondContact O-N 3.34Å; H94-G97 PolarHBondContact O-N 2.97Å; H94-A99 HydrophobicContact CB-CB 4.46Å
95Y93.1Very high78.2Confident48 Ų4862.1 Ų62.119%0.18838%0.377CS..Hα-helixtrans-67-31.6177.4-72.8-59.6000113.7L54 L63 L67 T91 L92 G97 V146L54-Y95 HydrophobicContact CB-CE2 4.11Å; L54-Y95 HydrophobicContact CD2-CE2 3.97Å; L54-Y95 PolarHBondContact O-OH 3.46Å; L63-Y95 HydrophobicContact CD1-CD1 4Å; L63-Y95 HydrophobicContact CD1-CE1 3.51Å; L63-Y95 HydrophobicContact CD1-CE2 4.14Å; L63-Y95 HydrophobicContact CD2-CD1 4.14Å; L63-Y95 HydrophobicContact CD2-CE1 3.81Å; L63-Y95 HydrophobicContact CG-CE1 4.31Å; L67-Y95 HydrophobicContact CD2-CD2 4.5Å; T91-Y95 HydrophobicContact CG2-CD2 3.82Å; T91-Y95 HydrophobicContact CG2-CE2 3.49Å; T91-Y95 VanDerWaalsContact CG2-CE2 3.49Å; T91-Y95 WeakPolarHBondContact O-CD2 3.37Å; T91-Y95 PolarHBondContact O-N 3.3Å; T91-Y95 VanDerWaalsContact O-N 3.07Å; L92-Y95 PolarHBondContact O-N 3.26Å; Y95-G97 VanDerWaalsContact C-N 3.25Å; Y95-G97 PolarHBondContact O-N 2.96Å; Y95-V146 HydrophobicContact CD1-CG1 4.14Å
96S92.3Very high75.1Confident0 Ų068.6 Ų68.60%040%0.402CS..THydrogen-bonded Turntrans-80.3-3.317255.10000113.2L92 A93 H94 I98 I154 R180L92-S96 WeakPolarHBondContact O-CB 3.5Å; L92-S96 PolarHBondContact O-N 2.75Å; L92-S96 PolarHBondContact O-OG 2.88Å; A93-S96 VanDerWaalsContact CA-OG 3.29Å; A93-S96 WeakPolarHBondContact CA-OG 3.09Å; A93-S96 PolarHBondContact O-OG 2.86Å; H94-S96 VanDerWaalsContact C-N 3.32Å; H94-S96 PolarHBondContact O-N 3.34Å; S96-I98 VanDerWaalsContact C-N 3.32Å; S96-I98 PolarHBondContact O-N 2.93Å; S96-I98 WeakPolarHBondContact OG-CG1 2.8Å; S96-I154 WeakPolarHBondContact OG-CD1 3.34Å; S96-R180 VanDerWaalsContact O-CZ 3.32Å; S96-R180 PolarHBondContact O-NH1 3Å; S96-R180 PolarHBondContact O-NH2 3.16Å; S96-R180 VanDerWaalsContact O-NH2 3.08Å
97G90.1Very high71.9Confident51 Ų5164.8 Ų64.853%0.52641%0.409SS..THydrogen-bonded Turntrans66.426.2177.400000115A93 H94 Y95 R180A93-G97 PolarHBondContact O-N 3Å; H94-G97 PolarHBondContact O-N 2.97Å; Y95-G97 VanDerWaalsContact C-N 3.25Å; Y95-G97 PolarHBondContact O-N 2.96Å; G97-R180 PolarHBondContact O-NH1 3.37Å; G97-R180 VanDerWaalsContact O-NH1 3.16Å
98I91.4Very high68.7Low3 Ų369 Ų692%0.01542%0.424CS..  trans-115.71.3178.268.1-179.1000112.7A93 S96 H100 L151 I154 F173 V177 L200A93-I98 HydrophobicContact CB-CG1 4.08Å; A93-I98 PolarHBondContact O-N 2.98Å; S96-I98 VanDerWaalsContact C-N 3.32Å; S96-I98 PolarHBondContact O-N 2.93Å; S96-I98 WeakPolarHBondContact OG-CG1 2.8Å; I98-H100 PolarHBondContact O-N 3.44Å; I98-L151 HydrophobicContact CD1-CD2 4.49Å; I98-I154 HydrophobicContact CD1-CD1 4.2Å; I98-F173 HydrophobicContact CD1-CB 4.47Å; I98-F173 HydrophobicContact CD1-CD2 4.14Å; I98-F173 HydrophobicContact CD1-CG 4.23Å; I98-V177 HydrophobicContact CB-CG2 4.11Å; I98-V177 HydrophobicContact CD1-CG2 3.9Å; I98-V177 HydrophobicContact CG2-CG2 3.75Å; I98-L200 HydrophobicContact CD1-CD2 3.58Å
99A87.6Confident65.5Low30 Ų3076.6 Ų76.625%0.24846%0.463CS..  trans-62.8111.1175.500000109.3L90 A93 H94 L101L90-A99 HydrophobicContact CD1-CB 4.36Å; A93-A99 HydrophobicContact CB-CB 3.96Å; A93-A99 PolarHBondContact O-N 3.02Å; A93-A99 VanDerWaalsContact O-N 3.14Å; H94-A99 HydrophobicContact CB-CB 4.46Å; A99-L101 PolarHBondContact O-N 2.89Å
100H69.3Low62.1Low79 Ų7986.2 Ų86.237%0.36651%0.508SS..  trans-76.2105.7173.5-163.325.2000108.5I98 A102 H172 E179I98-H100 PolarHBondContact O-N 3.44Å; H100-A102 VanDerWaalsContact C-N 3.29Å; H100-A102 PolarHBondContact O-N 3.06Å; H100-H172 HydrophobicContact CB-CB 4.44Å; H100-E179 IonicContact CE1-OE1 3.8Å
101L53.2Low58.7Low159 Ų15991.1 Ų91.183%0.83253%0.529SS*.  trans-72.291.5167.1-72.3165.1000106.8A99 A103A99-L101 PolarHBondContact O-N 2.89Å; L101-A103 PolarHBondContact O-N 3.46Å
102A35.2Very low55.3Low83 Ų8394 Ų9469%0.68655%0.551SS**  trans-51.7111.2171.200000108.6H100H100-A102 VanDerWaalsContact C-N 3.29Å; H100-A102 PolarHBondContact O-N 3.06Å
103A28.2Very low51.8Low86 Ų86103.6 Ų103.671%0.71159%0.593SS**  trans-58.7134.3168.300000107.5L101 S105L101-A103 PolarHBondContact O-N 3.46Å; A103-S105 PolarHBondContact O-N 3.06Å
104P30.4Very low48.4Very low113 Ų113112.5 Ų112.573%0.73463%0.634SS**  trans-62.5126.8179.124.4-29.9000108.6Q106P104-Q106 PolarHBondContact O-N 3.32Å
105S28.5Very low45.1Very low124 Ų124112.9 Ų112.987%0.86765%0.646SS**  trans-57.798.5172.843.30000110.3A103A103-S105 PolarHBondContact O-N 3.06Å
106Q30Very low41.7Very low182 Ų182116.7 Ų116.785%0.8567%0.674SS**  trans-97.893.4162.8-77.2-171.2-10.400108.8P104P104-Q106 PolarHBondContact O-N 3.32Å
107G26.8Very low38.6Very low69 Ų69123.1 Ų123.171%0.71171%0.713SS**  trans-66.1123.8145.100000107.8
108L26Very low35.4Very low172 Ų172128.9 Ų128.990%0.90173%0.726SS**  trans-168.7121142.6-98.3158.2000107.4
109L27.5Very low32.3Very low164 Ų164137.4 Ų137.486%0.85976%0.763SS**  trans-57.3136170-66.8137.2000109.6
110E24.2Very low29.3Very low201 Ų201143.9 Ų143.994%0.93979%0.793SS**  trans-158.8132.5138.7-112.6170.5-157.600111.4
111E22.9Very low27.2Very low176 Ų176143.4 Ų143.482%0.82281%0.81SS**  trans-83.3151.2-168.7-64.3172.5135.900113.4
112S21.3Very low25.9Very low99 Ų99144.4 Ų144.469%0.69281%0.808SS**  trans70.911713967.50000120.4
113K23.6Very low25.3Very low200 Ų200147.8 Ų147.887%0.8781%0.81SS**  176136.7100.6-95.5174.9-180175.20113
114E20.9Very low25.1Very low187 Ų187148.4 Ų148.487%0.87482%0.815SS**  trans-57142.8163.6-60.4170.613700111.9
115V23.8Very low24.8Very low145 Ų145147.2 Ų147.288%0.87981%0.814SS**  -157.1123.8129.9175.30000108.8
116V23.6Very low24.6Very low127 Ų127150.5 Ų150.577%0.7782%0.816SS**  trans-81.9141.6161.9173.60000108.5
117V26.8Very low24.2Very low135 Ų135149 Ų14982%0.81881%0.814SS**  trans172.2151136.4160.90000111
118E22.8Very low24.1Very low172 Ų172150 Ų15080%0.80481%0.81SS**  trans-75.5161.7-158.2-60.4167.612000118.6
119K25Very low23.9Very low183 Ų183147 Ų14780%0.79680%0.803SS**  trans11132.2145.9-68.4177.9173.7175.20120.3
120D26Very low23.8Very low165 Ų165145.4 Ų145.488%0.88280%0.8SS**  -179.9143.8104.6-102.5-24.1000114.7
121G24.7Very low23.7Very low70 Ų70142.6 Ų142.672%0.72280%0.797SS**  70.899129.800000124
122K25.8Very low23.9Very low179 Ų179140.2 Ų140.278%0.77879%0.794SS**  64.7127.3128.1-80.6-171.6165.3-132.90125.1
123E23.6Very low24Very low155 Ų155145.3 Ų145.372%0.72480%0.804SS**  trans79.7108.2132.5-72.8175.1-155.900123.1
124A23.5Very low24Very low99 Ų99144.7 Ų144.782%0.81880%0.804SS**  95.7124.6121.600000123
125A24.4Very low24.2Very low88 Ų88141.3 Ų141.373%0.72780%0.801SS**  trans93.9113.4140.600000121.8
126E23.9Very low24.2Very low193 Ų193139.3 Ų139.390%0.90279%0.793SS**  trans59.3135.6137.8-62.2178.6172.700118.5
127D21Very low24.4Very low150 Ų150138.6 Ų138.680%0.80279%0.792SS**  cis-169.1165.527.6-165.76.1000110.4
128S23.8Very low24.6Very low91 Ų91138.1 Ų138.164%0.63679%0.791SS**  trans93106.5153.374.80000122.6
129S22.7Very low25Very low108 Ų108135 Ų13576%0.75579%0.788SS**  trans45.2123.5139.565.30000119.2
130V25.8Very low25.4Very low130 Ų130135.3 Ų135.379%0.78879%0.792SS**  -159.4126.5671670000108.9
131T22.1Very low26.3Very low143 Ų143133.2 Ų133.288%0.87778%0.781SS**  trans-84.1109.7175.438.40000110.9
132V26.8Very low27.7Very low126 Ų126133.4 Ų133.476%0.76477%0.77SS**  trans-92.3120.4154.9178.50000106.2E134V132-E134 PolarHBondContact O-N 2.97Å
133K22.8Very low30.2Very low206 Ų206129.6 Ų129.690%0.89676%0.758SS**  trans-59.999.9175.5-95.4178.8167.5-179.50109.3
134E23.9Very low33.3Very low186 Ų186124.5 Ų124.587%0.86973%0.734SS**PPolyproline II helixtrans-74.1125.5152.1-79.2179.5159.900107.8V132 S136V132-E134 PolarHBondContact O-N 2.97Å; E134-S136 PolarHBondContact O-N 3.44Å
135S25.7Very low36.5Very low116 Ų116125.6 Ų125.681%0.81172%0.722SS**PPolyproline II helixtrans-52.8129.4171.545.50000109.9
136S23.3Very low39.8Very low103 Ų103122 Ų12272%0.7269%0.691SS**PPolyproline II helixtrans-46.8148176.344.40000113.3E134E134-S136 PolarHBondContact O-N 3.44Å
137P27.5Very low43.1Very low113 Ų113112.9 Ų112.973%0.73465%0.649SS**PPolyproline II helixtrans-58.7150.6173.326-32.6000110.6S139P137-S139 PolarHBondContact O-N 2.99Å
138P31.2Very low46.6Very low125 Ų125106 Ų10681%0.81261%0.612SS**PPolyproline II helixtrans-60.2129.9-179.225.2-31.8000109.5E140P138-E140 PolarHBondContact O-N 3.29Å
139S31.2Very low50Low105 Ų105102.4 Ų102.473%0.73459%0.585SS**PPolyproline II helixtrans-53.8129.4179.951.80000111.4P137 N141P137-S139 PolarHBondContact O-N 2.99Å; S139-N141 PolarHBondContact O-N 2.88Å
140E34.1Very low53.5Low190 Ų19097.3 Ų97.389%0.88855%0.549SS*.SBendtrans-59.7129.5176.4-65.3175.6150.600111P138P138-E140 PolarHBondContact O-N 3.29Å
141N44.1Very low56.8Low122 Ų12291.1 Ų91.165%0.65251%0.512SS*.  trans6890.5-173.9-71.5-34.6000116.3S139 D143S139-N141 PolarHBondContact O-N 2.88Å; N141-D143 PolarHBondContact O-N 3.41Å
142P53.9Low60.4Low74 Ų7486.1 Ų86.148%0.48148%0.478SS..  trans-56.3132.6156.413.1-12.4000108.9Q144 I147P142-Q144 PolarHBondContact O-N 3.23Å; P142-I147 HydrophobicContact CB-CD1 4.01Å; P142-I147 HydrophobicContact CB-CG1 4.34Å; P142-I147 HydrophobicContact CG-CD1 3.92Å
143D79.1Confident63.7Low98 Ų9880.1 Ų80.152%0.52444%0.442SS..  trans-49.7110.3174.7-89-37.3000108.5N141 E145 V146 I147N141-D143 PolarHBondContact O-N 3.41Å; D143-E145 PolarHBondContact O-N 2.92Å; D143-V146 HydrophobicContact CB-CB 4.33Å; D143-V146 HydrophobicContact CB-CG2 3.88Å; D143-V146 VanDerWaalsContact O-CB 3.3Å; D143-V146 WeakPolarHBondContact O-CB 3.42Å; D143-V146 PolarHBondContact O-N 3.19Å; D143-I147 PolarHBondContact O-N 2.85Å
144Q87.8Confident67.2Low49 Ų4970.3 Ų70.323%0.22940%0.399CS..Hα-helixtrans-59-26.6-172.9-64.4-176.85.900111.7P142 I147 I148 T188 N190 V193P142-Q144 PolarHBondContact O-N 3.23Å; Q144-I147 PolarHBondContact O-N 3.41Å; Q144-I148 WeakPolarHBondContact O-CB 3.48Å; Q144-I148 WeakPolarHBondContact O-CD1 3.47Å; Q144-I148 WeakPolarHBondContact O-CG1 3.48Å; Q144-I148 PolarHBondContact O-N 3.44Å; Q144-T188 PolarHBondContact NE2-O 3.44Å; Q144-N190 PolarHBondContact OE1-ND2 2.94Å; Q144-V193 HydrophobicContact CB-CG2 4.3Å
145E90.9Very high70.7Confident121 Ų12161.9 Ų61.957%0.56536%0.36SS*.Hα-helixtrans-60.7-42.4173-60.8-175.8174.900112.3L64 D143 I147 I148 E149L64-E145 HydrophobicContact CD1-CB 3.93Å; L64-E145 HydrophobicContact CD2-CB 4.43Å; L64-E145 WeakPolarHBondContact CD2-OE2 3.36Å; D143-E145 PolarHBondContact O-N 2.92Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.21Å; E145-I148 PolarHBondContact O-N 3.42Å; E145-E149 WeakPolarHBondContact O-CG 3.33Å; E145-E149 PolarHBondContact O-N 2.88Å
146V93.7Very high74.1Confident12 Ų1258 Ų587%0.07333%0.331CS..Hα-helixtrans-61.2-44.9175.71690000110.3L63 L64 L67 Y95 D143 I148 E149 A150L63-V146 HydrophobicContact CD2-CG1 4Å; L63-V146 HydrophobicContact CD2-CG2 4.04Å; L63-V146 HydrophobicContact CG-CG1 4.39Å; L63-V146 HydrophobicContact CG-CG2 4.29Å; L64-V146 HydrophobicContact CD1-CG2 4.47Å; L67-V146 HydrophobicContact CD1-CB 4.26Å; L67-V146 HydrophobicContact CD1-CG1 3.57Å; Y95-V146 HydrophobicContact CD1-CG1 4.14Å; D143-V146 HydrophobicContact CB-CB 4.33Å; D143-V146 HydrophobicContact CB-CG2 3.88Å; D143-V146 VanDerWaalsContact O-CB 3.3Å; D143-V146 WeakPolarHBondContact O-CB 3.42Å; D143-V146 PolarHBondContact O-N 3.19Å; V146-I148 PolarHBondContact O-N 3.4Å; V146-E149 PolarHBondContact O-N 3.27Å; V146-A150 WeakPolarHBondContact O-CB 3.25Å; V146-A150 PolarHBondContact O-N 3.37Å
147I93.3Very high77.5Confident2 Ų253.1 Ų53.11%0.0130%0.296CS..Hα-helixtrans-61-48.1178.3-61.1173.9000110.5P142 D143 Q144 E145 E149 A150 L151 W189 V193P142-I147 HydrophobicContact CB-CD1 4.01Å; P142-I147 HydrophobicContact CB-CG1 4.34Å; P142-I147 HydrophobicContact CG-CD1 3.92Å; D143-I147 PolarHBondContact O-N 2.85Å; Q144-I147 PolarHBondContact O-N 3.41Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.21Å; I147-E149 PolarHBondContact O-N 2.97Å; I147-A150 PolarHBondContact O-N 3.22Å; I147-L151 HydrophobicContact CG2-CD1 3.81Å; I147-L151 HydrophobicContact CG2-CG 4.26Å; I147-L151 WeakPolarHBondContact O-CB 3.35Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.35Å; I147-L151 PolarHBondContact O-N 3.2Å; I147-W189 HydrophobicContact CD1-CH2 4.33Å; I147-W189 HydrophobicContact CD1-CZ3 3.7Å; I147-V193 HydrophobicContact CG2-CG1 4.21Å; I147-V193 HydrophobicContact CG2-CG2 4.22Å
148I94.3Very high80.8Confident7 Ų747.8 Ų47.84%0.03626%0.262CS..Hα-helixtrans-61-47.2-178.2-71162000110.8Q144 E145 V146 A150 L151 K152 E192 V193 F196Q144-I148 WeakPolarHBondContact O-CB 3.48Å; Q144-I148 WeakPolarHBondContact O-CD1 3.47Å; Q144-I148 WeakPolarHBondContact O-CG1 3.48Å; Q144-I148 PolarHBondContact O-N 3.44Å; E145-I148 PolarHBondContact O-N 3.42Å; V146-I148 PolarHBondContact O-N 3.4Å; I148-A150 VanDerWaalsContact C-N 3.34Å; I148-A150 PolarHBondContact O-N 3.39Å; I148-L151 PolarHBondContact O-N 3.09Å; I148-K152 HydrophobicContact CG2-CD 3.86Å; I148-K152 HydrophobicContact CG2-CG 4.36Å; I148-K152 WeakPolarHBondContact O-CB 3.28Å; I148-K152 VanDerWaalsContact O-CG 3.27Å; I148-K152 WeakPolarHBondContact O-CG 3.27Å; I148-K152 PolarHBondContact O-N 2.85Å; I148-E192 HydrophobicContact CD1-CB 3.6Å; I148-E192 HydrophobicContact CG1-CB 4.04Å; I148-V193 HydrophobicContact CD1-CG2 4.01Å; I148-V193 HydrophobicContact CG1-CG2 3.59Å; I148-F196 HydrophobicContact CG2-CD2 4.17Å; I148-F196 HydrophobicContact CG2-CE2 4.32Å
149E95.4Very high83.8Confident15 Ų1546.3 Ų46.37%0.0725%0.246CC..Hα-helixtrans-66.8-36.6-179.1-68.8-58.8121.500112L64 L67 E68 R71 E145 V146 I147 K152 S153L64-E149 HydrophobicContact CD1-CG 3.96Å; L67-E149 HydrophobicContact CB-CB 3.84Å; E68-E149 HydrophobicContact CG-CG 4.11Å; R71-E149 WeakPolarHBondContact CD-OE2 3.16Å; R71-E149 IonicContact CZ-OE2 3.84Å; R71-E149 IonicContact NE-OE1 2.85Å; R71-E149 IonicContact NE-OE2 2.84Å; R71-E149 PolarHBondContact NE-OE2 3Å; R71-E149 IonicContact NH2-OE2 2.66Å; E145-E149 WeakPolarHBondContact O-CG 3.33Å; E145-E149 PolarHBondContact O-N 2.88Å; V146-E149 PolarHBondContact O-N 3.27Å; I147-E149 PolarHBondContact O-N 2.97Å; E149-K152 WeakPolarHBondContact OE1-CD 3.43Å; E149-K152 IonicContact OE1-NZ 2.85Å; E149-K152 PolarHBondContact OE1-NZ 3.04Å; E149-S153 WeakPolarHBondContact O-CB 3.42Å; E149-S153 PolarHBondContact O-N 2.96Å; E149-S153 PolarHBondContact O-OG 3.39Å
150A96.2Very high86.6Confident0 Ų044.5 Ų44.50%023%0.226CC..Hα-helixtrans-64.5-46171.700000112L67 V146 I147 I148 S153 I154L67-A150 HydrophobicContact CD2-CB 4.38Å; V146-A150 WeakPolarHBondContact O-CB 3.25Å; V146-A150 PolarHBondContact O-N 3.37Å; I147-A150 PolarHBondContact O-N 3.22Å; I148-A150 VanDerWaalsContact C-N 3.34Å; I148-A150 PolarHBondContact O-N 3.39Å; A150-S153 WeakPolarHBondContact O-CB 3.29Å; A150-S153 PolarHBondContact O-N 3.37Å; A150-I154 WeakPolarHBondContact O-CG1 3.36Å; A150-I154 PolarHBondContact O-N 3.46Å
151L96.4Very high89.5Confident0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-62.6-43.6177.1-72.8171000112.3I98 I147 I148 S153 I154 C155 F196 D197 L200I98-L151 HydrophobicContact CD1-CD2 4.49Å; I147-L151 HydrophobicContact CG2-CD1 3.81Å; I147-L151 HydrophobicContact CG2-CG 4.26Å; I147-L151 WeakPolarHBondContact O-CB 3.35Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.35Å; I147-L151 PolarHBondContact O-N 3.2Å; I148-L151 PolarHBondContact O-N 3.09Å; L151-S153 VanDerWaalsContact C-N 3.3Å; L151-S153 PolarHBondContact O-N 3.11Å; L151-I154 PolarHBondContact O-N 2.95Å; L151-C155 WeakPolarHBondContact O-CB 3.48Å; L151-C155 PolarHBondContact O-N 3.44Å; L151-C155 PolarHBondContact O-SG 2.92Å; L151-F196 HydrophobicContact CB-CB 3.84Å; L151-F196 HydrophobicContact CD1-CB 3.89Å; L151-F196 HydrophobicContact CG-CB 4.49Å; L151-D197 WeakPolarHBondContact CD1-OD1 3.5Å; L151-L200 HydrophobicContact CD2-CD2 3.77Å
152K96.4Very high91.9Very high39 Ų3936 Ų3617%0.1719%0.187CC..Hα-helixtrans-57.9-44.5174.8-75.5169.4-174.9163.60110.9R71 I148 E149 C155 N156 E192 F196R71-K152 VanDerWaalsContact CD-CB 3.5Å; R71-K152 VanDerWaalsContact CD-CD 3.49Å; R71-K152 HydrophobicContact CG-CB 3.92Å; I148-K152 HydrophobicContact CG2-CD 3.86Å; I148-K152 HydrophobicContact CG2-CG 4.36Å; I148-K152 WeakPolarHBondContact O-CB 3.28Å; I148-K152 VanDerWaalsContact O-CG 3.27Å; I148-K152 WeakPolarHBondContact O-CG 3.27Å; I148-K152 PolarHBondContact O-N 2.85Å; E149-K152 WeakPolarHBondContact OE1-CD 3.43Å; E149-K152 IonicContact OE1-NZ 2.85Å; E149-K152 PolarHBondContact OE1-NZ 3.04Å; K152-C155 PolarHBondContact O-N 2.98Å; K152-N156 VanDerWaalsContact O-CG 3.31Å; K152-N156 PolarHBondContact O-N 3.09Å; K152-E192 IonicContact NZ-OE2 2.75Å; K152-F196 HydrophobicContact CD-CE2 4.1Å; K152-F196 HydrophobicContact CD-CZ 4Å; K152-F196 HydrophobicContact CG-CD1 3.92Å; K152-F196 HydrophobicContact CG-CD2 4.13Å; K152-F196 HydrophobicContact CG-CE1 3.51Å; K152-F196 HydrophobicContact CG-CE2 3.76Å; K152-F196 HydrophobicContact CG-CG 4.23Å; K152-F196 HydrophobicContact CG-CZ 3.44Å; K152-F196 VanDerWaalsContact CG-CZ 3.44Å
153S96.8Very high93.8Very high0 Ų036.2 Ų36.20%019%0.187CC..Hα-helixtrans-61.9-48177.3-60.30000111.8R71 E149 A150 L151 C155 N156 I157R71-S153 WeakPolarHBondContact CA-OG 3.41Å; R71-S153 WeakPolarHBondContact CB-OG 3.21Å; R71-S153 PolarHBondContact N-OG 2.93Å; E149-S153 WeakPolarHBondContact O-CB 3.42Å; E149-S153 PolarHBondContact O-N 2.96Å; E149-S153 PolarHBondContact O-OG 3.39Å; A150-S153 WeakPolarHBondContact O-CB 3.29Å; A150-S153 PolarHBondContact O-N 3.37Å; L151-S153 VanDerWaalsContact C-N 3.3Å; L151-S153 PolarHBondContact O-N 3.11Å; S153-C155 VanDerWaalsContact C-N 3.34Å; S153-C155 PolarHBondContact O-N 2.82Å; S153-N156 PolarHBondContact O-N 2.94Å; S153-I157 WeakPolarHBondContact O-CD1 3.39Å; S153-I157 VanDerWaalsContact O-CG1 3.25Å; S153-I157 WeakPolarHBondContact O-CG1 3.25Å; S153-I157 PolarHBondContact O-N 3.27Å
154I97Very high94.6Very high0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-59.8-44.9176.7-66.4167.4000110.7L92 S96 I98 A150 L151 N156 I157 L158 F173 L200L92-I154 HydrophobicContact CB-CD1 3.96Å; L92-I154 HydrophobicContact CB-CG1 3.82Å; L92-I154 HydrophobicContact CD1-CG1 4.31Å; S96-I154 WeakPolarHBondContact OG-CD1 3.34Å; I98-I154 HydrophobicContact CD1-CD1 4.2Å; A150-I154 WeakPolarHBondContact O-CG1 3.36Å; A150-I154 PolarHBondContact O-N 3.46Å; L151-I154 PolarHBondContact O-N 2.95Å; I154-N156 VanDerWaalsContact C-N 3.34Å; I154-N156 PolarHBondContact O-N 3.24Å; I154-I157 PolarHBondContact O-N 3.43Å; I154-L158 HydrophobicContact CG2-CD1 3.8Å; I154-L158 HydrophobicContact CG2-CG 4.16Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 3Å; I154-F173 HydrophobicContact CD1-CE2 4.19Å; I154-F173 HydrophobicContact CG2-CD2 4.18Å; I154-F173 HydrophobicContact CG2-CE2 3.86Å; I154-L200 HydrophobicContact CG2-CD1 3.7Å; I154-L200 HydrophobicContact CG2-CD2 4.34Å
155C97.1Very high94.9Very high8 Ų830.1 Ų30.15%0.05416%0.155CC..Hα-helixtrans-58.6-44.1178-70.30000112.2L151 K152 S153 L159 L203L151-C155 WeakPolarHBondContact O-CB 3.48Å; L151-C155 PolarHBondContact O-N 3.44Å; L151-C155 PolarHBondContact O-SG 2.92Å; K152-C155 PolarHBondContact O-N 2.98Å; S153-C155 VanDerWaalsContact C-N 3.34Å; S153-C155 PolarHBondContact O-N 2.82Å; C155-L159 WeakPolarHBondContact O-CB 3.39Å; C155-L159 PolarHBondContact O-N 3.4Å; C155-L159 VanDerWaalsContact O-N 3.09Å; C155-L203 HydrophobicContact CB-CD1 3.77Å
156N95.8Very high95.2Very high36 Ų3627 Ų2719%0.19314%0.144CC..Hα-helixtrans-61.4-46.2176.8-70.4-13.3000111.6R71 T74 K152 S153 I154 L159 H160R71-N156 PolarHBondContact O-ND2 3.05Å; R71-N156 VanDerWaalsContact O-ND2 3.13Å; T74-N156 PolarHBondContact OG1-ND2 3.44Å; K152-N156 VanDerWaalsContact O-CG 3.31Å; K152-N156 PolarHBondContact O-N 3.09Å; S153-N156 PolarHBondContact O-N 2.94Å; I154-N156 VanDerWaalsContact C-N 3.34Å; I154-N156 PolarHBondContact O-N 3.24Å; N156-L159 PolarHBondContact O-N 3.05Å; N156-H160 PolarHBondContact O-CD2 3.41Å
157I96.3Very high95.2Very high0 Ų027.5 Ų27.50%015%0.147CC..Hα-helixtrans-61-48.7-179.9-64.9162.5000110.4T74 L80 F83 I84 M89 L92 S153 I154 L159 H160 S161 A164T74-I157 HydrophobicContact CG2-CD1 3.8Å; T74-I157 HydrophobicContact CG2-CG1 3.45Å; T74-I157 VanDerWaalsContact CG2-CG1 3.45Å; L80-I157 HydrophobicContact CD2-CG1 4.27Å; F83-I157 HydrophobicContact CB-CD1 3.76Å; F83-I157 HydrophobicContact CB-CG1 4.2Å; I84-I157 HydrophobicContact CG2-CG2 4.08Å; M89-I157 HydrophobicContact SD-CD1 4.18Å; M89-I157 HydrophobicContact SD-CG2 3.99Å; L92-I157 HydrophobicContact CD1-CD1 3.64Å; S153-I157 WeakPolarHBondContact O-CD1 3.39Å; S153-I157 VanDerWaalsContact O-CG1 3.25Å; S153-I157 WeakPolarHBondContact O-CG1 3.25Å; S153-I157 PolarHBondContact O-N 3.27Å; I154-I157 PolarHBondContact O-N 3.43Å; I157-L159 VanDerWaalsContact C-N 3.33Å; I157-L159 PolarHBondContact O-N 3.28Å; I157-H160 PolarHBondContact O-N 3.33Å; I157-S161 PolarHBondContact O-N 2.86Å; I157-A164 HydrophobicContact CG2-CB 3.39Å
158L95.9Very high95.3Very high1 Ų127.5 Ų27.51%0.00515%0.147CC..Hα-helixtrans-64.6-35.8-178-70.1178.6000113M89 I154 H160 A164 Q165 A168 L200 L204 L207M89-L158 HydrophobicContact CE-CD2 4.24Å; I154-L158 HydrophobicContact CG2-CD1 3.8Å; I154-L158 HydrophobicContact CG2-CG 4.16Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 3Å; L158-H160 PolarHBondContact O-N 2.82Å; L158-A164 HydrophobicContact CD2-CB 4.3Å; L158-Q165 HydrophobicContact CD2-CB 4.48Å; L158-Q165 HydrophobicContact CD2-CG 4.1Å; L158-Q165 PolarHBondContact O-NE2 3.04Å; L158-A168 HydrophobicContact CD2-CB 3.73Å; L158-L200 HydrophobicContact CD1-CD1 3.33Å; L158-L204 HydrophobicContact CD1-CD2 3.76Å; L158-L204 HydrophobicContact CD1-CG 4.17Å; L158-L207 WeakPolarHBondContact O-CD1 3.16Å
159L93.3Very high95.3Very high94 Ų9427.7 Ų27.749%0.49215%0.15SC..Hα-helixtrans-63.7-23.8178.6-175.662.2000112.8C155 N156 I157 L203C155-L159 WeakPolarHBondContact O-CB 3.39Å; C155-L159 PolarHBondContact O-N 3.4Å; C155-L159 VanDerWaalsContact O-N 3.09Å; N156-L159 PolarHBondContact O-N 3.05Å; I157-L159 VanDerWaalsContact C-N 3.33Å; I157-L159 PolarHBondContact O-N 3.28Å; L159-L203 HydrophobicContact CD1-CD2 4.02Å
160H91.6Very high95.2Very high67 Ų6731.6 Ų31.631%0.3117%0.171SC..Hα-helixtrans-118.8-20.7-169.5-65.2-28.8000114.6K77 L80 N156 I157 L158K77-H160 HydrophobicContact CG-CB 4.32Å; L80-H160 HydrophobicContact CD1-CB 3.4Å; N156-H160 PolarHBondContact O-CD2 3.41Å; I157-H160 PolarHBondContact O-N 3.33Å; L158-H160 PolarHBondContact O-N 2.82Å
161S94.3Very high95.2Very high12 Ų1232.3 Ų32.38%0.08418%0.175CC..  trans-120.4117.4-177.2178.10000113.1I84 I157 T163 A164 Q165I84-S161 WeakPolarHBondContact CG2-OG 3.32Å; I157-S161 PolarHBondContact O-N 2.86Å; S161-T163 VanDerWaalsContact C-N 3.31Å; S161-T163 PolarHBondContact O-N 3.32Å; S161-T163 PolarHBondContact OG-N 3.25Å; S161-A164 PolarHBondContact O-N 2.91Å; S161-A164 PolarHBondContact OG-N 3.24Å; S161-Q165 WeakPolarHBondContact O-CG 3.5Å; S161-Q165 PolarHBondContact O-N 3.15Å
162L93.8Very high95.1Very high121 Ų12136.6 Ų36.663%0.63420%0.195SC*.Hα-helixtrans-64.2-36.9172-178.162000111.8A164 Q165 V166L162-A164 VanDerWaalsContact C-N 3.32Å; L162-A164 PolarHBondContact O-N 3.27Å; L162-Q165 VanDerWaalsContact CD1-OE1 3.27Å; L162-Q165 WeakPolarHBondContact O-CB 3.49Å; L162-Q165 PolarHBondContact O-N 3.01Å; L162-V166 WeakPolarHBondContact O-CG2 3.04Å; L162-V166 PolarHBondContact O-N 3.41Å; L162-V166 VanDerWaalsContact O-N 3.14Å
163T94.6Very high95Very high79 Ų7934.8 Ų34.849%0.48519%0.187SC..Hα-helixtrans-60.9-42.6177.1-52.30000111.2S161 Q165 V166 I167S161-T163 VanDerWaalsContact C-N 3.31Å; S161-T163 PolarHBondContact O-N 3.32Å; S161-T163 PolarHBondContact OG-N 3.25Å; T163-Q165 VanDerWaalsContact C-N 3.32Å; T163-Q165 PolarHBondContact O-N 2.7Å; T163-V166 WeakPolarHBondContact O-CB 3.49Å; T163-V166 PolarHBondContact O-N 3.01Å; T163-I167 HydrophobicContact CG2-CD1 4.12Å; T163-I167 WeakPolarHBondContact O-CG1 3.28Å; T163-I167 PolarHBondContact O-N 3.1Å; T163-I167 VanDerWaalsContact O-N 3.08Å
164A94.9Very high94.9Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-66.7-33.6176.700000112.7I84 M89 I157 L158 S161 L162 V166 I167 A168I84-A164 HydrophobicContact CG2-CB 4.12Å; M89-A164 HydrophobicContact CE-CB 4.33Å; M89-A164 HydrophobicContact SD-CB 4.46Å; I157-A164 HydrophobicContact CG2-CB 3.39Å; L158-A164 HydrophobicContact CD2-CB 4.3Å; S161-A164 PolarHBondContact O-N 2.91Å; S161-A164 PolarHBondContact OG-N 3.24Å; L162-A164 VanDerWaalsContact C-N 3.32Å; L162-A164 PolarHBondContact O-N 3.27Å; A164-V166 VanDerWaalsContact C-N 3.32Å; A164-V166 PolarHBondContact O-N 3.48Å; A164-I167 PolarHBondContact O-N 3.15Å; A164-A168 VanDerWaalsContact O-CB 3.32Å; A164-A168 WeakPolarHBondContact O-CB 3.3Å; A164-A168 PolarHBondContact O-N 2.92Å
165Q95.6Very high94.8Very high18 Ų1835.9 Ų35.98%0.08419%0.192CC..Hα-helixtrans-63.1-38.8174.5-63.8160.621.700111.8L158 S161 L162 T163 A169 L207 R208L158-Q165 HydrophobicContact CD2-CB 4.48Å; L158-Q165 HydrophobicContact CD2-CG 4.1Å; L158-Q165 PolarHBondContact O-NE2 3.04Å; S161-Q165 WeakPolarHBondContact O-CG 3.5Å; S161-Q165 PolarHBondContact O-N 3.15Å; L162-Q165 VanDerWaalsContact CD1-OE1 3.27Å; L162-Q165 WeakPolarHBondContact O-CB 3.49Å; L162-Q165 PolarHBondContact O-N 3.01Å; T163-Q165 VanDerWaalsContact C-N 3.32Å; T163-Q165 PolarHBondContact O-N 2.7Å; Q165-A169 PolarHBondContact O-N 3.46Å; Q165-L207 HydrophobicContact CG-CB 4.46Å; Q165-L207 HydrophobicContact CG-CD1 4.23Å; Q165-R208 HydrophobicContact CB-CG 4.18Å
166V95.6Very high94.6Very high55 Ų5535.8 Ų35.833%0.33319%0.193SC..Hα-helixtrans-62.7-50.8172.9-179.80000110L162 T163 A164 A168 A169 D170L162-V166 WeakPolarHBondContact O-CG2 3.04Å; L162-V166 PolarHBondContact O-N 3.41Å; L162-V166 VanDerWaalsContact O-N 3.14Å; T163-V166 WeakPolarHBondContact O-CB 3.49Å; T163-V166 PolarHBondContact O-N 3.01Å; A164-V166 VanDerWaalsContact C-N 3.32Å; A164-V166 PolarHBondContact O-N 3.48Å; V166-A168 VanDerWaalsContact C-N 3.33Å; V166-A168 PolarHBondContact O-N 3.41Å; V166-A169 WeakPolarHBondContact O-CB 3.27Å; V166-A169 PolarHBondContact O-N 3.05Å; V166-A169 VanDerWaalsContact O-N 3.16Å; V166-D170 PolarHBondContact O-N 2.82Å
167I95.3Very high94.5Very high24 Ų2434 Ų3412%0.12318%0.184CC..Hα-helixtrans-62.5-39.4-177.8-69.4166.9000111.8I84 R86 M89 T163 A164 A169 D170 L171I84-I167 WeakPolarHBondContact O-CD1 3.43Å; R86-I167 HydrophobicContact CB-CG2 4.36Å; R86-I167 HydrophobicContact CG-CG2 4.35Å; M89-I167 HydrophobicContact CB-CG2 3.89Å; M89-I167 HydrophobicContact CG-CG2 3.98Å; T163-I167 HydrophobicContact CG2-CD1 4.12Å; T163-I167 WeakPolarHBondContact O-CG1 3.28Å; T163-I167 PolarHBondContact O-N 3.1Å; T163-I167 VanDerWaalsContact O-N 3.08Å; A164-I167 PolarHBondContact O-N 3.15Å; I167-A169 VanDerWaalsContact C-N 3.32Å; I167-A169 PolarHBondContact O-N 2.8Å; I167-D170 PolarHBondContact O-N 2.92Å; I167-L171 HydrophobicContact CG2-CD1 3.71Å; I167-L171 HydrophobicContact CG2-CG 4.18Å; I167-L171 VanDerWaalsContact O-CB 3.29Å; I167-L171 WeakPolarHBondContact O-CB 3.23Å; I167-L171 VanDerWaalsContact O-CG 3.24Å; I167-L171 WeakPolarHBondContact O-CG 3.47Å; I167-L171 PolarHBondContact O-N 3.4Å
168A95.3Very high94.4Very high1 Ų134.1 Ų34.11%0.00818%0.184CC..Hα-helixtrans-65.7-34.9177.500000112.7M89 L158 A164 V166 H172 F173 L204M89-A168 HydrophobicContact CE-CB 4.07Å; L158-A168 HydrophobicContact CD2-CB 3.73Å; A164-A168 VanDerWaalsContact O-CB 3.32Å; A164-A168 WeakPolarHBondContact O-CB 3.3Å; A164-A168 PolarHBondContact O-N 2.92Å; V166-A168 VanDerWaalsContact C-N 3.33Å; V166-A168 PolarHBondContact O-N 3.41Å; A168-H172 PolarHBondContact O-N 2.97Å; A168-F173 HydrophobicContact CB-CB 4.46Å; A168-F173 HydrophobicContact CB-CD2 3.63Å; A168-F173 HydrophobicContact CB-CE2 3.97Å; A168-F173 HydrophobicContact CB-CG 4.01Å; A168-F173 PolarHBondContact O-N 3.2Å; A168-F173 VanDerWaalsContact O-N 3.1Å; A168-L204 HydrophobicContact CB-CD2 4.09Å
169A93.7Very high94.2Very high12 Ų1238.4 Ų38.410%0.09920%0.204CC..Hα-helixtrans-67.2-47.2171.600000110.9Q165 V166 I167 L171 H172 V211Q165-A169 PolarHBondContact O-N 3.46Å; V166-A169 WeakPolarHBondContact O-CB 3.27Å; V166-A169 PolarHBondContact O-N 3.05Å; V166-A169 VanDerWaalsContact O-N 3.16Å; I167-A169 VanDerWaalsContact C-N 3.32Å; I167-A169 PolarHBondContact O-N 2.8Å; A169-L171 PolarHBondContact O-N 3.35Å; A169-H172 PolarHBondContact O-N 3.38Å; A169-V211 HydrophobicContact CB-CG2 3.79Å
170D94.3Very high94Very high97 Ų9734.4 Ų34.452%0.51918%0.183SC..Hα-helixtrans-63-27.7177.6-65.8-15.8000113.2V166 I167 H172V166-D170 PolarHBondContact O-N 2.82Å; I167-D170 PolarHBondContact O-N 2.92Å; D170-H172 VanDerWaalsContact C-N 3.32Å; D170-H172 PolarHBondContact O-CD2 3.25Å
171L94.5Very high93.9Very high14 Ų1431.4 Ų31.47%0.07317%0.169CC..THydrogen-bonded Turntrans-89.66.1175.4-69.4178.4000113.1R86 M89 L90 I167 A169 F173R86-L171 HydrophobicContact CG-CD1 4.37Å; R86-L171 HydrophobicContact CG-CD2 4.07Å; R86-L171 HydrophobicContact CG-CG 4.43Å; R86-L171 VanDerWaalsContact CZ-CD2 3.44Å; M89-L171 HydrophobicContact CB-CD1 3.87Å; L90-L171 HydrophobicContact CB-CD1 4.25Å; L90-L171 HydrophobicContact CD1-CD2 4.37Å; I167-L171 HydrophobicContact CG2-CD1 3.71Å; I167-L171 HydrophobicContact CG2-CG 4.18Å; I167-L171 VanDerWaalsContact O-CB 3.29Å; I167-L171 WeakPolarHBondContact O-CB 3.23Å; I167-L171 VanDerWaalsContact O-CG 3.24Å; I167-L171 WeakPolarHBondContact O-CG 3.47Å; I167-L171 PolarHBondContact O-N 3.4Å; A169-L171 PolarHBondContact O-N 3.35Å; L171-F173 VanDerWaalsContact C-N 3.28Å; L171-F173 HydrophobicContact CB-CD1 3.68Å; L171-F173 HydrophobicContact CB-CE1 3.5Å; L171-F173 VanDerWaalsContact CB-CE1 3.5Å; L171-F173 HydrophobicContact CD1-CE1 3.74Å; L171-F173 HydrophobicContact CD1-CZ 4.16Å; L171-F173 HydrophobicContact CG-CE1 4.28Å; L171-F173 PolarHBondContact O-N 2.9Å
172H94.1Very high93.7Very high91 Ų9136.5 Ų36.542%0.42119%0.189SC..THydrogen-bonded Turntrans5738.1174.5-68.2-82.2000113.8H100 A168 A169 D170 I174 D175 G176H100-H172 HydrophobicContact CB-CB 4.44Å; A168-H172 PolarHBondContact O-N 2.97Å; A169-H172 PolarHBondContact O-N 3.38Å; D170-H172 VanDerWaalsContact C-N 3.32Å; D170-H172 PolarHBondContact O-CD2 3.25Å; H172-I174 PolarHBondContact O-N 2.94Å; H172-D175 HydrophobicContact CB-CB 4.4Å; H172-D175 VanDerWaalsContact CB-OD2 3.28Å; H172-D175 WeakPolarHBondContact CB-OD2 3.44Å; H172-D175 IonicContact CG-OD2 3.47Å; H172-D175 IonicContact ND1-OD2 2.97Å; H172-D175 PolarHBondContact ND1-OD2 3.18Å; H172-D175 PolarHBondContact O-N 2.85Å; H172-D175 VanDerWaalsContact O-N 3.11Å; H172-G176 PolarHBondContact O-N 3.42Å
173F95.8Very high93.1Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-58.5-33.2-179.1-80.617.6000112.5M89 A93 I98 I154 A168 L171 D175 G176 V177 L204M89-F173 HydrophobicContact CB-CZ 4.21Å; M89-F173 HydrophobicContact CE-CE2 3.59Å; M89-F173 HydrophobicContact CE-CZ 3.94Å; M89-F173 WeakPolarHBondContact O-CZ 3.4Å; A93-F173 HydrophobicContact CB-CD1 4.28Å; A93-F173 HydrophobicContact CB-CE1 3.47Å; A93-F173 VanDerWaalsContact CB-CE1 3.47Å; A93-F173 HydrophobicContact CB-CZ 3.64Å; I98-F173 HydrophobicContact CD1-CB 4.47Å; I98-F173 HydrophobicContact CD1-CD2 4.14Å; I98-F173 HydrophobicContact CD1-CG 4.23Å; I154-F173 HydrophobicContact CD1-CE2 4.19Å; I154-F173 HydrophobicContact CG2-CD2 4.18Å; I154-F173 HydrophobicContact CG2-CE2 3.86Å; A168-F173 HydrophobicContact CB-CB 4.46Å; A168-F173 HydrophobicContact CB-CD2 3.63Å; A168-F173 HydrophobicContact CB-CE2 3.97Å; A168-F173 HydrophobicContact CB-CG 4.01Å; A168-F173 PolarHBondContact O-N 3.2Å; A168-F173 VanDerWaalsContact O-N 3.1Å; L171-F173 VanDerWaalsContact C-N 3.28Å; L171-F173 HydrophobicContact CB-CD1 3.68Å; L171-F173 HydrophobicContact CB-CE1 3.5Å; L171-F173 VanDerWaalsContact CB-CE1 3.5Å; L171-F173 HydrophobicContact CD1-CE1 3.74Å; L171-F173 HydrophobicContact CD1-CZ 4.16Å; L171-F173 HydrophobicContact CG-CE1 4.28Å; L171-F173 PolarHBondContact O-N 2.9Å; F173-D175 VanDerWaalsContact C-N 3.3Å; F173-D175 PolarHBondContact O-N 3.39Å; F173-G176 PolarHBondContact O-N 3.32Å; F173-V177 VanDerWaalsContact O-CG2 3.27Å; F173-V177 WeakPolarHBondContact O-CG2 3.43Å; F173-V177 PolarHBondContact O-N 3.43Å; F173-L204 HydrophobicContact CB-CD1 4.13Å
174I95.3Very high91.7Very high4 Ų432.7 Ų32.72%0.02116%0.163CC..Hα-helixtrans-64.5-35.9179.8-167.762000112.3H172 A178 T201 L204 V211 Q214 L215 L219H172-I174 PolarHBondContact O-N 2.94Å; I174-A178 WeakPolarHBondContact O-CB 3.39Å; I174-A178 PolarHBondContact O-N 2.91Å; I174-T201 HydrophobicContact CD1-CG2 3.98Å; I174-L204 HydrophobicContact CD1-CD1 4.37Å; I174-V211 HydrophobicContact CB-CG1 3.7Å; I174-V211 HydrophobicContact CD1-CG1 4.11Å; I174-V211 HydrophobicContact CG1-CG1 3.77Å; I174-V211 HydrophobicContact CG2-CG1 4Å; I174-Q214 HydrophobicContact CG2-CG 4.41Å; I174-Q214 VanDerWaalsContact CG2-OE1 3.31Å; I174-L215 HydrophobicContact CD1-CB 4.44Å; I174-L215 HydrophobicContact CD1-CD1 4.28Å; I174-L215 HydrophobicContact CD1-CD2 4.31Å; I174-L215 HydrophobicContact CG1-CB 4.27Å; I174-L215 HydrophobicContact CG1-CD1 4.36Å; I174-L219 HydrophobicContact CG1-CD1 4Å; I174-L219 HydrophobicContact CG2-CD1 4.33Å
175D94.4Very high90.1Very high19 Ų1937.1 Ų37.110%0.10219%0.187CC..Hα-helixtrans-67.3-48.1-179.5-62.3-50.6000109.9H172 F173 V177 A178 E179 Q214H172-D175 HydrophobicContact CB-CB 4.4Å; H172-D175 VanDerWaalsContact CB-OD2 3.28Å; H172-D175 WeakPolarHBondContact CB-OD2 3.44Å; H172-D175 IonicContact CG-OD2 3.47Å; H172-D175 IonicContact ND1-OD2 2.97Å; H172-D175 PolarHBondContact ND1-OD2 3.18Å; H172-D175 PolarHBondContact O-N 2.85Å; H172-D175 VanDerWaalsContact O-N 3.11Å; F173-D175 VanDerWaalsContact C-N 3.3Å; F173-D175 PolarHBondContact O-N 3.39Å; D175-V177 PolarHBondContact O-N 2.78Å; D175-A178 PolarHBondContact O-N 3.25Å; D175-E179 WeakPolarHBondContact O-CG 3.4Å; D175-E179 PolarHBondContact O-N 3.03Å; D175-Q214 VanDerWaalsContact CG-NE2 3.27Å; D175-Q214 PolarHBondContact OD1-NE2 3.14Å; D175-Q214 PolarHBondContact OD2-NE2 3Å
176G92.8Very high88.6Confident6 Ų641.5 Ų41.56%0.06221%0.207CC..Hα-helixtrans-63.3-40.7177.500000113.5H172 F173 R180H172-G176 PolarHBondContact O-N 3.42Å; F173-G176 PolarHBondContact O-N 3.32Å; G176-R180 PolarHBondContact O-N 2.87Å; G176-R180 VanDerWaalsContact O-N 3.13Å
177V93.9Very high87.1Confident0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-67.6-41.11751790000110.8I98 F173 D175 E179 R180 L181 D197 L200 T201I98-V177 HydrophobicContact CB-CG2 4.11Å; I98-V177 HydrophobicContact CD1-CG2 3.9Å; I98-V177 HydrophobicContact CG2-CG2 3.75Å; F173-V177 VanDerWaalsContact O-CG2 3.27Å; F173-V177 WeakPolarHBondContact O-CG2 3.43Å; F173-V177 PolarHBondContact O-N 3.43Å; D175-V177 PolarHBondContact O-N 2.78Å; V177-E179 PolarHBondContact O-N 3.41Å; V177-R180 PolarHBondContact O-N 3.12Å; V177-L181 HydrophobicContact CG1-CD1 4.03Å; V177-L181 HydrophobicContact CG1-CG 4.22Å; V177-L181 WeakPolarHBondContact O-CB 3.03Å; V177-L181 VanDerWaalsContact O-CG 3.3Å; V177-L181 WeakPolarHBondContact O-CG 3.2Å; V177-L181 PolarHBondContact O-N 3.34Å; V177-D197 HydrophobicContact CG1-CB 4.14Å; V177-L200 HydrophobicContact CG2-CD2 3.67Å; V177-L200 HydrophobicContact CG2-CG 4.28Å; V177-T201 WeakPolarHBondContact CG1-OG1 3.3Å
178A93.3Very high86.1Confident2 Ų246.3 Ų46.32%0.01724%0.24CC..Hα-helixtrans-64.6-39178.100000112.4I174 D175 L181 K182 L219 L224I174-A178 WeakPolarHBondContact O-CB 3.39Å; I174-A178 PolarHBondContact O-N 2.91Å; D175-A178 PolarHBondContact O-N 3.25Å; A178-L181 PolarHBondContact O-N 3.5Å; A178-K182 WeakPolarHBondContact O-CG 3.45Å; A178-K182 PolarHBondContact O-N 2.98Å; A178-L219 HydrophobicContact CB-CD1 3.83Å; A178-L224 HydrophobicContact CB-CD2 4.01Å
179E91Very high85.5Confident90 Ų9048.8 Ų48.842%0.42125%0.249SC..Hα-helixtrans-60.5-44.8172.2-76.4-175.3168.800111.9H100 D175 V177 K182H100-E179 IonicContact CE1-OE1 3.8Å; D175-E179 WeakPolarHBondContact O-CG 3.4Å; D175-E179 PolarHBondContact O-N 3.03Å; V177-E179 PolarHBondContact O-N 3.41Å; E179-K182 WeakPolarHBondContact O-CB 3.31Å; E179-K182 PolarHBondContact O-N 3.37Å
180R90.3Very high85.2Confident11 Ų1150.8 Ų50.84%0.04226%0.258CS..Hα-helixtrans-65-42.2175-178.9158.962.8-142.715.5111.9S96 G97 G176 V177 K182 Q183 C184 W189 D197S96-R180 VanDerWaalsContact O-CZ 3.32Å; S96-R180 PolarHBondContact O-NH1 3Å; S96-R180 PolarHBondContact O-NH2 3.16Å; S96-R180 VanDerWaalsContact O-NH2 3.08Å; G97-R180 PolarHBondContact O-NH1 3.37Å; G97-R180 VanDerWaalsContact O-NH1 3.16Å; G176-R180 PolarHBondContact O-N 2.87Å; G176-R180 VanDerWaalsContact O-N 3.13Å; V177-R180 PolarHBondContact O-N 3.12Å; R180-K182 PolarHBondContact O-N 2.88Å; R180-Q183 CarbonylContact O-C 3.52Å; R180-Q183 WeakPolarHBondContact O-CA 3.23Å; R180-Q183 WeakPolarHBondContact O-CB 3.48Å; R180-Q183 PolarHBondContact O-N 3.33Å; R180-C184 PolarHBondContact O-N 3.39Å; R180-C184 PolarHBondContact O-SG 3.12Å; R180-W189 HydrophobicContact CG-CZ2 4.44Å; R180-D197 IonicContact CZ-OD1 3.86Å; R180-D197 VanDerWaalsContact CZ-OD1 3.32Å; R180-D197 IonicContact CZ-OD2 3.58Å; R180-D197 VanDerWaalsContact NE-CG 3.33Å; R180-D197 IonicContact NE-OD1 2.66Å; R180-D197 PolarHBondContact NE-OD1 2.96Å; R180-D197 IonicContact NE-OD2 2.78Å; R180-D197 PolarHBondContact NE-OD2 3.06Å; R180-D197 IonicContact NH2-OD1 3.5Å; R180-D197 PolarHBondContact NH2-OD1 3.01Å; R180-D197 IonicContact NH2-OD2 2.69Å
181L90.3Very high85Confident3 Ų348 Ų482%0.01624%0.242CC..Hα-helixtrans-59.4-32.4176.3-73.3174.2000112.6V177 A178 Q183 C184 D197 L198 L224 Q228V177-L181 HydrophobicContact CG1-CD1 4.03Å; V177-L181 HydrophobicContact CG1-CG 4.22Å; V177-L181 WeakPolarHBondContact O-CB 3.03Å; V177-L181 VanDerWaalsContact O-CG 3.3Å; V177-L181 WeakPolarHBondContact O-CG 3.2Å; V177-L181 PolarHBondContact O-N 3.34Å; A178-L181 PolarHBondContact O-N 3.5Å; L181-Q183 PolarHBondContact O-N 3.38Å; L181-C184 PolarHBondContact O-N 3.27Å; L181-D197 HydrophobicContact CD2-CB 4.16Å; L181-L198 HydrophobicContact CD1-CD2 4.47Å; L181-L198 HydrophobicContact CD2-CD2 3.96Å; L181-L198 HydrophobicContact CD2-CG 4.31Å; L181-L224 HydrophobicContact CB-CD1 4.42Å; L181-L224 HydrophobicContact CB-CD2 4.43Å; L181-Q228 PolarHBondContact O-NE2 2.91Å
182K88.4Confident84.9Confident120 Ų12051.6 Ų51.652%0.52226%0.259SS..Hα-helixtrans-62.9-30.4171.8-69.8168-173.3173.30112.3A178 E179 R180 L224A178-K182 WeakPolarHBondContact O-CG 3.45Å; A178-K182 PolarHBondContact O-N 2.98Å; E179-K182 WeakPolarHBondContact O-CB 3.31Å; E179-K182 PolarHBondContact O-N 3.37Å; R180-K182 PolarHBondContact O-N 2.88Å; K182-L224 HydrophobicContact CB-CD1 4.36Å; K182-L224 HydrophobicContact CG-CD1 3.51Å
183Q82.1Confident84.8Confident116 Ų11647.3 Ų47.354%0.54224%0.238SC..Hα-helixtrans-92.2-11.7-179.2-57.6173.422.300113.3R180 L181 N185 H186R180-Q183 CarbonylContact O-C 3.52Å; R180-Q183 WeakPolarHBondContact O-CA 3.23Å; R180-Q183 WeakPolarHBondContact O-CB 3.48Å; R180-Q183 PolarHBondContact O-N 3.33Å; L181-Q183 PolarHBondContact O-N 3.38Å; Q183-N185 PolarHBondContact O-N 3.19Å; Q183-H186 VanDerWaalsContact O-CB 3.27Å; Q183-H186 WeakPolarHBondContact O-CB 3.42Å; Q183-H186 PolarHBondContact O-N 3.47Å
184C64.4Low84.7Confident3 Ų349.4 Ų49.42%0.0225%0.246CC..THydrogen-bonded Turntrans-65-4.1-174.2-78.10000115.8R180 L181 R194R180-C184 PolarHBondContact O-N 3.39Å; R180-C184 PolarHBondContact O-SG 3.12Å; L181-C184 PolarHBondContact O-N 3.27Å; C184-R194 HydrophobicContact CB-CG 4.49Å
185N61.9Low84.7Confident93 Ų9351 Ų5150%0.49725%0.253SS..THydrogen-bonded Turntrans-79.1-10.6169.8-66.7-12000112.6Q183 Q228 A231Q183-N185 PolarHBondContact O-N 3.19Å; N185-Q228 PolarHBondContact OD1-NE2 3.08Å; N185-A231 VanDerWaalsContact OD1-CB 3.31Å; N185-A231 WeakPolarHBondContact OD1-CB 3.49Å
186H64.1Low84.7Confident111 Ų11151.9 Ų51.951%0.51426%0.256SS..SBendtrans-79.6137.4177.3-159.3-89.7000110.3Q183 T188Q183-H186 VanDerWaalsContact O-CB 3.27Å; Q183-H186 WeakPolarHBondContact O-CB 3.42Å; Q183-H186 PolarHBondContact O-N 3.47Å; H186-T188 VanDerWaalsContact CE1-CG2 3.5Å; H186-T188 WeakPolarHBondContact CE1-CG2 3.31Å; H186-T188 WeakPolarHBondContact ND1-CG2 3.36Å; H186-T188 PolarHBondContact ND1-OG1 3.17Å; H186-T188 PolarHBondContact O-N 2.9Å
187P64.2Low84.8Confident124 Ų12451.6 Ų51.681%0.80525%0.253SS*.THydrogen-bonded Turntrans-66.24.5-176.627.8-37000114.6
188T74.4Confident85Confident55 Ų5551.7 Ų51.734%0.33725%0.254SS..THydrogen-bonded Turntrans-71.4-28.4179.838.90000113.2Q144 H186Q144-T188 PolarHBondContact NE2-O 3.44Å; H186-T188 VanDerWaalsContact CE1-CG2 3.5Å; H186-T188 WeakPolarHBondContact CE1-CG2 3.31Å; H186-T188 WeakPolarHBondContact ND1-CG2 3.36Å; H186-T188 PolarHBondContact ND1-OG1 3.17Å; H186-T188 PolarHBondContact O-N 2.9Å
189W82.8Confident85.1Confident53 Ų5354.6 Ų54.620%0.20126%0.264CS..SBendtrans-99.3128.5-172.8-58109.8000112.5I147 R180 V193 R194I147-W189 HydrophobicContact CD1-CH2 4.33Å; I147-W189 HydrophobicContact CD1-CZ3 3.7Å; R180-W189 HydrophobicContact CG-CZ2 4.44Å; W189-V193 HydrophobicContact CE3-CG1 3.89Å; W189-V193 HydrophobicContact CZ3-CG1 4.44Å; W189-R194 HydrophobicContact CB-CG 4.16Å
190N87.9Confident85.4Confident55 Ų5550.3 Ų50.329%0.29424%0.244SC..  trans-70.9168.4174.672.820.3000112.4Q144 E192 V193 R194Q144-N190 PolarHBondContact OE1-ND2 2.94Å; N190-E192 VanDerWaalsContact C-N 3.33Å; N190-E192 PolarHBondContact O-N 3.37Å; N190-E192 PolarHBondContact OD1-N 3.13Å; N190-V193 WeakPolarHBondContact OD1-CB 3.38Å; N190-V193 VanDerWaalsContact OD1-CG2 3.28Å; N190-V193 WeakPolarHBondContact OD1-CG2 3.44Å; N190-V193 PolarHBondContact OD1-N 2.89Å; N190-R194 WeakPolarHBondContact O-CG 3.36Å; N190-R194 PolarHBondContact O-N 3.25Å
191H90.4Very high85.7Confident37 Ų3749.8 Ų49.817%0.17124%0.243CC..Hα-helixtrans-59-40.7179.3169.5-99.4000112.9R194 F195 Q262 E265H191-R194 PolarHBondContact O-N 3.3Å; H191-F195 WeakPolarHBondContact O-CB 3.33Å; H191-F195 PolarHBondContact O-N 3.48Å; H191-Q262 VanDerWaalsContact CD2-CB 3.45Å; H191-Q262 WeakPolarHBondContact CD2-CB 3.47Å; H191-Q262 WeakPolarHBondContact NE2-CA 3.48Å; H191-Q262 PolarHBondContact NE2-O 2.89Å; H191-E265 IonicContact CE1-OE2 2.89Å; H191-E265 PolarHBondContact CE1-OE2 2.73Å; H191-E265 IonicContact NE2-OE2 3.44Å
192E91.9Very high86.1Confident91 Ų9151.8 Ų51.843%0.42525%0.251SS..Hα-helixtrans-67-43.9-175.9-72.8-162.9-166.700112.6I148 K152 N190 R194 F195 F196I148-E192 HydrophobicContact CD1-CB 3.6Å; I148-E192 HydrophobicContact CG1-CB 4.04Å; K152-E192 IonicContact NZ-OE2 2.75Å; N190-E192 VanDerWaalsContact C-N 3.33Å; N190-E192 PolarHBondContact O-N 3.37Å; N190-E192 PolarHBondContact OD1-N 3.13Å; E192-R194 VanDerWaalsContact C-N 3.33Å; E192-R194 PolarHBondContact O-N 2.87Å; E192-F195 PolarHBondContact O-N 3.35Å; E192-F196 VanDerWaalsContact O-CD2 3.26Å; E192-F196 WeakPolarHBondContact O-CD2 3.46Å; E192-F196 PolarHBondContact O-N 3.02Å
193V92Very high86.5Confident0 Ų046.8 Ų46.80%023%0.23CC..Hα-helixtrans-57.7-50175.4173.20000109.5Q144 I147 I148 W189 N190 F195 F196 D197Q144-V193 HydrophobicContact CB-CG2 4.3Å; I147-V193 HydrophobicContact CG2-CG1 4.21Å; I147-V193 HydrophobicContact CG2-CG2 4.22Å; I148-V193 HydrophobicContact CD1-CG2 4.01Å; I148-V193 HydrophobicContact CG1-CG2 3.59Å; W189-V193 HydrophobicContact CE3-CG1 3.89Å; W189-V193 HydrophobicContact CZ3-CG1 4.44Å; N190-V193 WeakPolarHBondContact OD1-CB 3.38Å; N190-V193 VanDerWaalsContact OD1-CG2 3.28Å; N190-V193 WeakPolarHBondContact OD1-CG2 3.44Å; N190-V193 PolarHBondContact OD1-N 2.89Å; V193-F195 VanDerWaalsContact C-N 3.31Å; V193-F195 PolarHBondContact O-N 3.46Å; V193-F196 PolarHBondContact O-N 3.49Å; V193-D197 WeakPolarHBondContact O-CB 3.48Å; V193-D197 VanDerWaalsContact O-CG 3.28Å; V193-D197 PolarHBondContact O-N 2.97Å
194R92.5Very high87.2Confident44 Ų4441.5 Ų41.517%0.16621%0.206CC..Hα-helixtrans-59.5-42178.9-66.3-178.368.7-163.60.6112C184 W189 N190 H191 E192 L198 T232 L266C184-R194 HydrophobicContact CB-CG 4.49Å; W189-R194 HydrophobicContact CB-CG 4.16Å; N190-R194 WeakPolarHBondContact O-CG 3.36Å; N190-R194 PolarHBondContact O-N 3.25Å; H191-R194 PolarHBondContact O-N 3.3Å; E192-R194 VanDerWaalsContact C-N 3.33Å; E192-R194 PolarHBondContact O-N 2.87Å; R194-L198 VanDerWaalsContact O-CG 3.3Å; R194-L198 WeakPolarHBondContact O-CG 3.39Å; R194-L198 PolarHBondContact O-N 3.49Å; R194-L198 VanDerWaalsContact O-N 3.13Å; R194-T232 PolarHBondContact NH2-OG1 2.89Å; R194-L266 HydrophobicContact CB-CD2 3.98Å
195F95.1Very high88.7Confident38 Ų3841.4 Ų41.417%0.16721%0.205CC..Hα-helixtrans-64.7-45178.4177.2-97.6000111.9H191 E192 V193 L198 R199 E265 L266 E269H191-F195 WeakPolarHBondContact O-CB 3.33Å; H191-F195 PolarHBondContact O-N 3.48Å; E192-F195 PolarHBondContact O-N 3.35Å; V193-F195 VanDerWaalsContact C-N 3.31Å; V193-F195 PolarHBondContact O-N 3.46Å; F195-L198 PolarHBondContact O-N 3.32Å; F195-R199 WeakPolarHBondContact O-CB 3.44Å; F195-R199 PolarHBondContact O-N 3.47Å; F195-E265 HydrophobicContact CD2-CB 4.35Å; F195-E265 HydrophobicContact CE2-CB 4.25Å; F195-L266 HydrophobicContact CB-CD2 3.84Å; F195-L266 HydrophobicContact CD2-CD2 4.45Å; F195-E269 HydrophobicContact CD2-CG 4.11Å; F195-E269 HydrophobicContact CE2-CG 3.69Å; F195-E269 HydrophobicContact CZ-CG 4.46Å
196F95.6Very high90.2Very high38 Ų3838.6 Ų38.617%0.16720%0.195CC..Hα-helixtrans-73.5-27.8-179.6-79.2-69.7000113.3I148 L151 K152 E192 V193 R199 L200I148-F196 HydrophobicContact CG2-CD2 4.17Å; I148-F196 HydrophobicContact CG2-CE2 4.32Å; L151-F196 HydrophobicContact CB-CB 3.84Å; L151-F196 HydrophobicContact CD1-CB 3.89Å; L151-F196 HydrophobicContact CG-CB 4.49Å; K152-F196 HydrophobicContact CD-CE2 4.1Å; K152-F196 HydrophobicContact CD-CZ 4Å; K152-F196 HydrophobicContact CG-CD1 3.92Å; K152-F196 HydrophobicContact CG-CD2 4.13Å; K152-F196 HydrophobicContact CG-CE1 3.51Å; K152-F196 HydrophobicContact CG-CE2 3.76Å; K152-F196 HydrophobicContact CG-CG 4.23Å; K152-F196 HydrophobicContact CG-CZ 3.44Å; K152-F196 VanDerWaalsContact CG-CZ 3.44Å; E192-F196 VanDerWaalsContact O-CD2 3.26Å; E192-F196 WeakPolarHBondContact O-CD2 3.46Å; E192-F196 PolarHBondContact O-N 3.02Å; V193-F196 PolarHBondContact O-N 3.49Å; F196-R199 PolarHBondContact O-N 3.46Å; F196-L200 VanDerWaalsContact O-CB 3.23Å; F196-L200 WeakPolarHBondContact O-CB 3.19Å; F196-L200 PolarHBondContact O-N 2.97Å
197D94.9Very high91.7Very high0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-62.4-47.2168.3-75-20000111.9L151 V177 R180 L181 V193 L200 T201L151-D197 WeakPolarHBondContact CD1-OD1 3.5Å; V177-D197 HydrophobicContact CG1-CB 4.14Å; R180-D197 IonicContact CZ-OD1 3.86Å; R180-D197 VanDerWaalsContact CZ-OD1 3.32Å; R180-D197 IonicContact CZ-OD2 3.58Å; R180-D197 VanDerWaalsContact NE-CG 3.33Å; R180-D197 IonicContact NE-OD1 2.66Å; R180-D197 PolarHBondContact NE-OD1 2.96Å; R180-D197 IonicContact NE-OD2 2.78Å; R180-D197 PolarHBondContact NE-OD2 3.06Å; R180-D197 IonicContact NH2-OD1 3.5Å; R180-D197 PolarHBondContact NH2-OD1 3.01Å; R180-D197 IonicContact NH2-OD2 2.69Å; L181-D197 HydrophobicContact CD2-CB 4.16Å; V193-D197 WeakPolarHBondContact O-CB 3.48Å; V193-D197 VanDerWaalsContact O-CG 3.28Å; V193-D197 PolarHBondContact O-N 2.97Å; D197-L200 PolarHBondContact O-N 2.91Å; D197-T201 WeakPolarHBondContact O-CB 3.28Å; D197-T201 PolarHBondContact O-N 2.92Å; D197-T201 PolarHBondContact O-OG1 3.21Å
198L96.7Very high93Very high2 Ų232.9 Ų32.91%0.0116%0.157CC..Hα-helixtrans-65.4-42.7175.9-67.8168.4000111.1L181 R194 F195 L200 T201 F202 L225 L266 E269 I270 I273L181-L198 HydrophobicContact CD1-CD2 4.47Å; L181-L198 HydrophobicContact CD2-CD2 3.96Å; L181-L198 HydrophobicContact CD2-CG 4.31Å; R194-L198 VanDerWaalsContact O-CG 3.3Å; R194-L198 WeakPolarHBondContact O-CG 3.39Å; R194-L198 PolarHBondContact O-N 3.49Å; R194-L198 VanDerWaalsContact O-N 3.13Å; F195-L198 PolarHBondContact O-N 3.32Å; L198-L200 VanDerWaalsContact C-N 3.33Å; L198-L200 PolarHBondContact O-N 3.09Å; L198-T201 WeakPolarHBondContact O-CB 3.49Å; L198-T201 PolarHBondContact O-N 3.35Å; L198-F202 WeakPolarHBondContact O-CB 3.16Å; L198-F202 PolarHBondContact O-N 2.96Å; L198-L225 HydrophobicContact CD2-CD2 4.27Å; L198-L266 HydrophobicContact CD1-CB 4.28Å; L198-L266 HydrophobicContact CD1-CD2 3.77Å; L198-E269 HydrophobicContact CB-CB 3.82Å; L198-E269 HydrophobicContact CD1-CB 4.37Å; L198-I270 HydrophobicContact CD1-CD1 4.18Å; L198-I270 HydrophobicContact CD1-CG1 3.74Å; L198-I270 HydrophobicContact CD2-CG1 3.61Å; L198-I270 HydrophobicContact CG-CG1 4.32Å; L198-I273 HydrophobicContact CB-CD1 4.13Å; L198-I273 HydrophobicContact CD2-CD1 3.72Å; L198-I273 WeakPolarHBondContact O-CD1 3.32Å
199R97.2Very high93.9Very high62 Ų6235.4 Ų35.423%0.23417%0.172CC..Hα-helixtrans-59.8-43.7175.9176.163.174.9-150.5-7.6111.5F195 F196 F202 L203 E269F195-R199 WeakPolarHBondContact O-CB 3.44Å; F195-R199 PolarHBondContact O-N 3.47Å; F196-R199 PolarHBondContact O-N 3.46Å; R199-F202 WeakPolarHBondContact O-CB 3.32Å; R199-F202 PolarHBondContact O-N 3.41Å; R199-L203 HydrophobicContact CG-CD1 4.41Å; R199-L203 WeakPolarHBondContact O-CG 3.45Å; R199-L203 PolarHBondContact O-N 2.9Å; R199-E269 IonicContact CZ-OE1 3.61Å; R199-E269 IonicContact CZ-OE2 3.89Å; R199-E269 IonicContact NE-OE2 2.73Å; R199-E269 IonicContact NH1-OE1 2.93Å; R199-E269 PolarHBondContact NH1-OE1 3.06Å; R199-E269 IonicContact NH1-OE2 3.77Å; R199-E269 PolarHBondContact NH1-OE2 3.07Å; R199-E269 VanDerWaalsContact NH2-CD 3.29Å; R199-E269 IonicContact NH2-OE1 2.75Å; R199-E269 PolarHBondContact NH2-OE1 3.35Å; R199-E269 IonicContact NH2-OE2 3.97Å
200L96.8Very high94.4Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-62.7-46.9176.6177.155.6000110.7I98 L151 I154 L158 V177 F196 D197 L198 F202 L203 L204I98-L200 HydrophobicContact CD1-CD2 3.58Å; L151-L200 HydrophobicContact CD2-CD2 3.77Å; I154-L200 HydrophobicContact CG2-CD1 3.7Å; I154-L200 HydrophobicContact CG2-CD2 4.34Å; L158-L200 HydrophobicContact CD1-CD1 3.33Å; V177-L200 HydrophobicContact CG2-CD2 3.67Å; V177-L200 HydrophobicContact CG2-CG 4.28Å; F196-L200 VanDerWaalsContact O-CB 3.23Å; F196-L200 WeakPolarHBondContact O-CB 3.19Å; F196-L200 PolarHBondContact O-N 2.97Å; D197-L200 PolarHBondContact O-N 2.91Å; L198-L200 VanDerWaalsContact C-N 3.33Å; L198-L200 PolarHBondContact O-N 3.09Å; L200-F202 VanDerWaalsContact C-N 3.3Å; L200-F202 PolarHBondContact O-N 2.81Å; L200-L203 PolarHBondContact O-N 3.09Å; L200-L204 HydrophobicContact CD1-CD1 4.07Å; L200-L204 HydrophobicContact CD1-CG 4.12Å; L200-L204 HydrophobicContact CG-CD1 4.04Å; L200-L204 WeakPolarHBondContact O-CB 3.36Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.48Å
201T97Very high94.7Very high1 Ų134 Ų341%0.00617%0.169CC..Hα-helixtrans-58.3-42.6175.7-53.60000111.5I174 V177 D197 L198 T205 L215 I273I174-T201 HydrophobicContact CD1-CG2 3.98Å; V177-T201 WeakPolarHBondContact CG1-OG1 3.3Å; D197-T201 WeakPolarHBondContact O-CB 3.28Å; D197-T201 PolarHBondContact O-N 2.92Å; D197-T201 PolarHBondContact O-OG1 3.21Å; L198-T201 WeakPolarHBondContact O-CB 3.49Å; L198-T201 PolarHBondContact O-N 3.35Å; T201-T205 HydrophobicContact CG2-CG2 4.43Å; T201-T205 WeakPolarHBondContact O-CB 3.31Å; T201-T205 VanDerWaalsContact O-CG2 3.28Å; T201-T205 WeakPolarHBondContact O-CG2 3.44Å; T201-T205 PolarHBondContact O-N 3.17Å; T201-T205 PolarHBondContact O-OG1 2.92Å; T201-L215 HydrophobicContact CG2-CD2 3.76Å; T201-I273 HydrophobicContact CG2-CD1 3.9Å; T201-I273 HydrophobicContact CG2-CG1 4.23Å; T201-I273 HydrophobicContact CG2-CG2 3.75Å
202F97.8Very high94.9Very high45 Ų4534.9 Ų34.920%0.19717%0.171CC..Hα-helixtrans-60.9-48.5175.6168.7-103.5000111.4L198 R199 L200 T205 A206 K272 I273 N276L198-F202 WeakPolarHBondContact O-CB 3.16Å; L198-F202 PolarHBondContact O-N 2.96Å; R199-F202 WeakPolarHBondContact O-CB 3.32Å; R199-F202 PolarHBondContact O-N 3.41Å; L200-F202 VanDerWaalsContact C-N 3.3Å; L200-F202 PolarHBondContact O-N 2.81Å; F202-T205 PolarHBondContact O-N 3.35Å; F202-T205 PolarHBondContact O-OG1 2.93Å; F202-T205 VanDerWaalsContact O-OG1 3.1Å; F202-A206 HydrophobicContact CE2-CB 4.27Å; F202-A206 HydrophobicContact CZ-CB 4.26Å; F202-A206 WeakPolarHBondContact O-CB 3.4Å; F202-A206 PolarHBondContact O-N 3.48Å; F202-K272 HydrophobicContact CD2-CB 3.58Å; F202-K272 HydrophobicContact CE2-CB 3.74Å; F202-K272 HydrophobicContact CE2-CD 4.35Å; F202-K272 HydrophobicContact CE2-CG 4.4Å; F202-K272 HydrophobicContact CG-CB 4.46Å; F202-I273 HydrophobicContact CB-CG1 3.79Å; F202-N276 WeakPolarHBondContact CD2-ND2 3.43Å
203L97.3Very high95Very high14 Ų1432.6 Ų32.67%0.07317%0.167CC..Hα-helixtrans-62-47.1179.3-71.2173.4000111.6C155 L159 R199 L200 T205 A206 L207C155-L203 HydrophobicContact CB-CD1 3.77Å; L159-L203 HydrophobicContact CD1-CD2 4.02Å; R199-L203 HydrophobicContact CG-CD1 4.41Å; R199-L203 WeakPolarHBondContact O-CG 3.45Å; R199-L203 PolarHBondContact O-N 2.9Å; L200-L203 PolarHBondContact O-N 3.09Å; L203-T205 PolarHBondContact O-N 3.31Å; L203-A206 PolarHBondContact O-N 2.63Å; L203-L207 HydrophobicContact CB-CD1 4.26Å; L203-L207 HydrophobicContact CD2-CD1 4.43Å; L203-L207 VanDerWaalsContact O-CB 3.25Å; L203-L207 WeakPolarHBondContact O-CB 3.42Å; L203-L207 WeakPolarHBondContact O-CD1 3.37Å; L203-L207 WeakPolarHBondContact O-CG 3.35Å; L203-L207 PolarHBondContact O-N 3.01Å
204L95.9Very high95.1Very high6 Ų633.9 Ų33.93%0.03117%0.173CC..Hα-helixtrans-58-49.3178.3-72.5171.8000111.4L158 A168 F173 I174 L200 R208 V211L158-L204 HydrophobicContact CD1-CD2 3.76Å; L158-L204 HydrophobicContact CD1-CG 4.17Å; A168-L204 HydrophobicContact CB-CD2 4.09Å; F173-L204 HydrophobicContact CB-CD1 4.13Å; I174-L204 HydrophobicContact CD1-CD1 4.37Å; L200-L204 HydrophobicContact CD1-CD1 4.07Å; L200-L204 HydrophobicContact CD1-CG 4.12Å; L200-L204 HydrophobicContact CG-CD1 4.04Å; L200-L204 WeakPolarHBondContact O-CB 3.36Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.48Å; L204-R208 WeakPolarHBondContact O-CB 3.47Å; L204-R208 PolarHBondContact O-N 2.89Å; L204-V211 HydrophobicContact CB-CG1 3.98Å
205T95.6Very high95.2Very high0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-72.4-31.3-179.356.80000113.6T201 F202 L203 R212 L215 I273 N276 I277T201-T205 HydrophobicContact CG2-CG2 4.43Å; T201-T205 WeakPolarHBondContact O-CB 3.31Å; T201-T205 VanDerWaalsContact O-CG2 3.28Å; T201-T205 WeakPolarHBondContact O-CG2 3.44Å; T201-T205 PolarHBondContact O-N 3.17Å; T201-T205 PolarHBondContact O-OG1 2.92Å; F202-T205 PolarHBondContact O-N 3.35Å; F202-T205 PolarHBondContact O-OG1 2.93Å; F202-T205 VanDerWaalsContact O-OG1 3.1Å; L203-T205 PolarHBondContact O-N 3.31Å; T205-R212 VanDerWaalsContact O-CZ 3.3Å; T205-R212 PolarHBondContact O-NE 2.71Å; T205-R212 PolarHBondContact O-NH2 2.86Å; T205-L215 HydrophobicContact CG2-CB 4.34Å; T205-L215 HydrophobicContact CG2-CD2 3.55Å; T205-I273 HydrophobicContact CG2-CG2 4.34Å; T205-N276 PolarHBondContact OG1-ND2 3.39Å; T205-N276 VanDerWaalsContact OG1-ND2 3.15Å; T205-I277 HydrophobicContact CG2-CG2 4.3Å
206A94.9Very high95Very high35 Ų3531.3 Ų31.329%0.28917%0.169SC..Hα-helixtrans-70.7-42.7177.400000111.5F202 L203 R212 N276F202-A206 HydrophobicContact CE2-CB 4.27Å; F202-A206 HydrophobicContact CZ-CB 4.26Å; F202-A206 WeakPolarHBondContact O-CB 3.4Å; F202-A206 PolarHBondContact O-N 3.48Å; L203-A206 PolarHBondContact O-N 2.63Å; A206-R212 PolarHBondContact O-NH2 2.86Å; A206-R212 VanDerWaalsContact O-NH2 3.11Å; A206-N276 PolarHBondContact N-ND2 3.44Å
207L94.2Very high94.6Very high70 Ų7035.8 Ų35.837%0.36619%0.19SC..Hα-helixtrans-87.6-25.8-171.6-61.9166.5000113.1L158 Q165 L203L158-L207 WeakPolarHBondContact O-CD1 3.16Å; Q165-L207 HydrophobicContact CG-CB 4.46Å; Q165-L207 HydrophobicContact CG-CD1 4.23Å; L203-L207 HydrophobicContact CB-CD1 4.26Å; L203-L207 HydrophobicContact CD2-CD1 4.43Å; L203-L207 VanDerWaalsContact O-CB 3.25Å; L203-L207 WeakPolarHBondContact O-CB 3.42Å; L203-L207 WeakPolarHBondContact O-CD1 3.37Å; L203-L207 WeakPolarHBondContact O-CG 3.35Å; L203-L207 PolarHBondContact O-N 3.01Å
208R93.3Very high94.5Very high44 Ų4442.2 Ų42.217%0.16622%0.22CC..  trans-127.3122.3-173.6-72.6-66.8-67.4-125.3-7.5112.4Q165 L204 D210 V211 R212Q165-R208 HydrophobicContact CB-CG 4.18Å; L204-R208 WeakPolarHBondContact O-CB 3.47Å; L204-R208 PolarHBondContact O-N 2.89Å; R208-D210 WeakPolarHBondContact CB-OD1 3.34Å; R208-D210 IonicContact CZ-OD1 2.73Å; R208-D210 IonicContact CZ-OD2 2.79Å; R208-D210 IonicContact NE-OD1 2.78Å; R208-D210 PolarHBondContact NE-OD1 2.96Å; R208-D210 IonicContact NE-OD2 3.64Å; R208-D210 PolarHBondContact NE-OD2 2.86Å; R208-D210 IonicContact NH2-OD1 3.19Å; R208-D210 IonicContact NH2-OD2 2.67Å; R208-D210 PolarHBondContact NH2-OD2 3.34Å; R208-V211 HydrophobicContact CB-CB 3.98Å; R208-V211 HydrophobicContact CB-CG2 3.84Å; R208-R212 WeakPolarHBondContact O-CB 3.09Å; R208-R212 PolarHBondContact O-N 3.31Å; R208-R212 VanDerWaalsContact O-N 3.12Å
209V92.6Very high94.3Very high108 Ų10843.3 Ų43.366%0.65523%0.226SC*.Hα-helixtrans-75.5-35.8-177.4-179.40000111.7R212 A213V209-R212 WeakPolarHBondContact O-CB 3.37Å; V209-R212 PolarHBondContact O-N 3.23Å; V209-A213 PolarHBondContact O-N 3.31Å
210D93.4Very high94Very high77 Ų7745.8 Ų45.841%0.41224%0.24SC..Hα-helixtrans-62.3-49.7173.852.9-29.4000111.5R208 R212 A213 Q214R208-D210 WeakPolarHBondContact CB-OD1 3.34Å; R208-D210 IonicContact CZ-OD1 2.73Å; R208-D210 IonicContact CZ-OD2 2.79Å; R208-D210 IonicContact NE-OD1 2.78Å; R208-D210 PolarHBondContact NE-OD1 2.96Å; R208-D210 IonicContact NE-OD2 3.64Å; R208-D210 PolarHBondContact NE-OD2 2.86Å; R208-D210 IonicContact NH2-OD1 3.19Å; R208-D210 IonicContact NH2-OD2 2.67Å; R208-D210 PolarHBondContact NH2-OD2 3.34Å; D210-R212 VanDerWaalsContact C-N 3.29Å; D210-R212 PolarHBondContact O-N 3.21Å; D210-A213 PolarHBondContact O-N 2.76Å; D210-A213 VanDerWaalsContact O-N 3.17Å; D210-Q214 WeakPolarHBondContact O-CB 3.5Å; D210-Q214 PolarHBondContact O-N 2.73Å
211V94.6Very high93.8Very high2 Ų245.8 Ų45.81%0.01224%0.24CC..Hα-helixtrans-64.1-35.8176.9-179.90000111.7A169 I174 L204 R208 Q214 L215A169-V211 HydrophobicContact CB-CG2 3.79Å; I174-V211 HydrophobicContact CB-CG1 3.7Å; I174-V211 HydrophobicContact CD1-CG1 4.11Å; I174-V211 HydrophobicContact CG1-CG1 3.77Å; I174-V211 HydrophobicContact CG2-CG1 4Å; L204-V211 HydrophobicContact CB-CG1 3.98Å; R208-V211 HydrophobicContact CB-CB 3.98Å; R208-V211 HydrophobicContact CB-CG2 3.84Å; V211-Q214 PolarHBondContact O-N 3.05Å; V211-L215 PolarHBondContact O-N 3.13Å
212R94.7Very high93.5Very high56 Ų5646.6 Ų46.621%0.21124%0.244CC..Hα-helixtrans-62.3-45173.4-178.6-167.8-58.6-164.49.9112T205 A206 R208 V209 D210 A216 N276 I277T205-R212 VanDerWaalsContact O-CZ 3.3Å; T205-R212 PolarHBondContact O-NE 2.71Å; T205-R212 PolarHBondContact O-NH2 2.86Å; A206-R212 PolarHBondContact O-NH2 2.86Å; A206-R212 VanDerWaalsContact O-NH2 3.11Å; R208-R212 WeakPolarHBondContact O-CB 3.09Å; R208-R212 PolarHBondContact O-N 3.31Å; R208-R212 VanDerWaalsContact O-N 3.12Å; V209-R212 WeakPolarHBondContact O-CB 3.37Å; V209-R212 PolarHBondContact O-N 3.23Å; D210-R212 VanDerWaalsContact C-N 3.29Å; D210-R212 PolarHBondContact O-N 3.21Å; R212-A216 VanDerWaalsContact O-CB 3.32Å; R212-A216 WeakPolarHBondContact O-CB 3.45Å; R212-A216 PolarHBondContact O-N 3Å; R212-N276 WeakPolarHBondContact CD-O 3.49Å; R212-I277 HydrophobicContact CG-CG2 4.11Å
213A92.4Very high93.3Very high42 Ų4250.6 Ų50.635%0.34726%0.261SS..Hα-helixtrans-65.1-42.9176.900000111.4V209 D210 A216 Q217V209-A213 PolarHBondContact O-N 3.31Å; D210-A213 PolarHBondContact O-N 2.76Å; D210-A213 VanDerWaalsContact O-N 3.17Å; A213-A216 PolarHBondContact O-N 3.26Å; A213-Q217 WeakPolarHBondContact O-CB 3.33Å; A213-Q217 PolarHBondContact O-N 2.98Å
214Q94.4Very high93.1Very high27 Ų2750.8 Ų50.813%0.12626%0.262CS..Hα-helixtrans-57.5-49.8175.2-173.7-175.4-2.400111.4I174 D175 D210 V211 A216 E218 L219I174-Q214 HydrophobicContact CG2-CG 4.41Å; I174-Q214 VanDerWaalsContact CG2-OE1 3.31Å; D175-Q214 VanDerWaalsContact CG-NE2 3.27Å; D175-Q214 PolarHBondContact OD1-NE2 3.14Å; D175-Q214 PolarHBondContact OD2-NE2 3Å; D210-Q214 WeakPolarHBondContact O-CB 3.5Å; D210-Q214 PolarHBondContact O-N 2.73Å; V211-Q214 PolarHBondContact O-N 3.05Å; Q214-A216 VanDerWaalsContact C-N 3.34Å; Q214-A216 PolarHBondContact O-N 3.2Å; Q214-E218 HydrophobicContact CG-CB 4.37Å; Q214-E218 WeakPolarHBondContact O-CB 2.94Å; Q214-E218 PolarHBondContact O-N 3.2Å; Q214-L219 PolarHBondContact O-N 3.44Å; Q214-L219 VanDerWaalsContact O-N 3.14Å
215L94.6Very high93.1Very high1 Ų150.6 Ų50.61%0.00526%0.261CS..Hα-helixtrans-62.5-42.2177.3-176.464.5000111.8I174 T201 T205 V211 L219 G221 L225 I273 I277I174-L215 HydrophobicContact CD1-CB 4.44Å; I174-L215 HydrophobicContact CD1-CD1 4.28Å; I174-L215 HydrophobicContact CD1-CD2 4.31Å; I174-L215 HydrophobicContact CG1-CB 4.27Å; I174-L215 HydrophobicContact CG1-CD1 4.36Å; T201-L215 HydrophobicContact CG2-CD2 3.76Å; T205-L215 HydrophobicContact CG2-CB 4.34Å; T205-L215 HydrophobicContact CG2-CD2 3.55Å; V211-L215 PolarHBondContact O-N 3.13Å; L215-L219 HydrophobicContact CD1-CB 4.05Å; L215-L219 HydrophobicContact CD1-CD1 4.04Å; L215-G221 WeakPolarHBondContact O-CA 3.14Å; L215-G221 PolarHBondContact O-N 2.79Å; L215-L225 HydrophobicContact CD2-CD1 4.44Å; L215-I273 HydrophobicContact CD2-CG2 3.78Å; L215-I277 HydrophobicContact CB-CG2 4.39Å; L215-I277 HydrophobicContact CD2-CG2 3.98Å; L215-I277 HydrophobicContact CG-CG2 4.33Å
216A91Very high93Very high28 Ų2850.6 Ų50.623%0.23126%0.261CS..Hα-helixtrans-65-47.5-178.100000112.4R212 A213 Q214 I277R212-A216 VanDerWaalsContact O-CB 3.32Å; R212-A216 WeakPolarHBondContact O-CB 3.45Å; R212-A216 PolarHBondContact O-N 3Å; A213-A216 PolarHBondContact O-N 3.26Å; Q214-A216 VanDerWaalsContact C-N 3.34Å; Q214-A216 PolarHBondContact O-N 3.2Å; A216-I277 HydrophobicContact CB-CB 4.03Å; A216-I277 HydrophobicContact CB-CG2 4.46Å
217Q88.5Confident92.8Very high132 Ų13251 Ų5162%0.61726%0.262SS*.Hα-helixtrans-99.8-50.1-167.5-63-178.8-19.100112.9A213A213-Q217 WeakPolarHBondContact O-CB 3.33Å; A213-Q217 PolarHBondContact O-N 2.98Å
218E92.4Very high92.7Very high135 Ų13547.8 Ų47.863%0.63125%0.245SC*.THydrogen-bonded Turntrans-82.9-37.5-171.9-59.6179.4-163.600111.9Q214Q214-E218 HydrophobicContact CG-CB 4.37Å; Q214-E218 WeakPolarHBondContact O-CB 2.94Å; Q214-E218 PolarHBondContact O-N 3.2Å
219L91.7Very high92.8Very high25 Ų2545.7 Ų45.713%0.13124%0.237CC..SBendtrans-96.65.8-176.6-60.6175.4000113.6I174 A178 Q214 L215 G221I174-L219 HydrophobicContact CG1-CD1 4Å; I174-L219 HydrophobicContact CG2-CD1 4.33Å; A178-L219 HydrophobicContact CB-CD1 3.83Å; Q214-L219 PolarHBondContact O-N 3.44Å; Q214-L219 VanDerWaalsContact O-N 3.14Å; L215-L219 HydrophobicContact CD1-CB 4.05Å; L215-L219 HydrophobicContact CD1-CD1 4.04Å; L219-G221 VanDerWaalsContact C-N 3.3Å; L219-G221 PolarHBondContact O-N 2.76Å
220H91.3Very high92.8Very high114 Ų11442.5 Ų42.553%0.52822%0.215SC..  trans49.349.6-177.3-57.5-75.4000112.6I222 K223 L224H220-I222 VanDerWaalsContact C-N 3.26Å; H220-I222 PolarHBondContact O-N 3.21Å; H220-I222 VanDerWaalsContact O-N 3.17Å; H220-K223 PolarHBondContact O-N 3.24Å; H220-K223 VanDerWaalsContact O-N 3.13Å; H220-L224 PolarHBondContact O-N 3.27Å
221G91.9Very high92.6Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-57.6-32.8-169.700000114.5L215 L219 L225L215-G221 WeakPolarHBondContact O-CA 3.14Å; L215-G221 PolarHBondContact O-N 2.79Å; L219-G221 VanDerWaalsContact C-N 3.3Å; L219-G221 PolarHBondContact O-N 2.76Å; G221-L225 WeakPolarHBondContact O-CB 3.17Å; G221-L225 WeakPolarHBondContact O-CD1 3.29Å; G221-L225 VanDerWaalsContact O-CG 3.23Å; G221-L225 WeakPolarHBondContact O-CG 3.35Å; G221-L225 PolarHBondContact O-N 3.41Å
222I92.2Very high92.5Very high17 Ų1740.7 Ų40.79%0.08721%0.211CC..Hα-helixtrans-62.5-51.5177.1-63.9172.2000110.3H220 G226 I277 T278 E293 Y294 L297H220-I222 VanDerWaalsContact C-N 3.26Å; H220-I222 PolarHBondContact O-N 3.21Å; H220-I222 VanDerWaalsContact O-N 3.17Å; I222-G226 WeakPolarHBondContact O-CA 3.37Å; I222-G226 PolarHBondContact O-N 3.29Å; I222-I277 HydrophobicContact CG1-CD1 3.98Å; I222-T278 HydrophobicContact CD1-CG2 4.33Å; I222-T278 HydrophobicContact CG1-CG2 4.4Å; I222-E293 HydrophobicContact CG2-CB 4.34Å; I222-Y294 HydrophobicContact CD1-CD1 4.37Å; I222-Y294 HydrophobicContact CD1-CE1 3.52Å; I222-L297 HydrophobicContact CG2-CD2 4.25Å
223K92.3Very high92.2Very high129 Ų12938.1 Ų38.156%0.56120%0.201SC*.Hα-helixtrans-63.8-46.4177.8-174.2175.2-177.3173.10111.7H220 G226 S227H220-K223 PolarHBondContact O-N 3.24Å; H220-K223 VanDerWaalsContact O-N 3.13Å; K223-G226 PolarHBondContact O-N 3.15Å; K223-S227 PolarHBondContact O-N 3.44Å; K223-S227 PolarHBondContact O-OG 2.65Å
224L94Very high92.1Very high19 Ų1939.3 Ų39.310%0.09921%0.206CC..Hα-helixtrans-57.6-52.5178.8175.960.3000112A178 L181 K182 H220 S227 Q228A178-L224 HydrophobicContact CB-CD2 4.01Å; L181-L224 HydrophobicContact CB-CD1 4.42Å; L181-L224 HydrophobicContact CB-CD2 4.43Å; K182-L224 HydrophobicContact CB-CD1 4.36Å; K182-L224 HydrophobicContact CG-CD1 3.51Å; H220-L224 PolarHBondContact O-N 3.27Å; L224-S227 PolarHBondContact O-N 2.87Å; L224-Q228 PolarHBondContact O-N 3.36Å; L224-Q228 VanDerWaalsContact O-N 3.09Å
225L95.1Very high91.8Very high1 Ų138.6 Ų38.61%0.00520%0.203CC..Hα-helixtrans-73.5-32.4-178.2-67.9167.9000111.9L198 L215 G221 Q228 L229 I270 I273 L274 I277L198-L225 HydrophobicContact CD2-CD2 4.27Å; L215-L225 HydrophobicContact CD2-CD1 4.44Å; G221-L225 WeakPolarHBondContact O-CB 3.17Å; G221-L225 WeakPolarHBondContact O-CD1 3.29Å; G221-L225 VanDerWaalsContact O-CG 3.23Å; G221-L225 WeakPolarHBondContact O-CG 3.35Å; G221-L225 PolarHBondContact O-N 3.41Å; L225-Q228 PolarHBondContact O-N 3.48Å; L225-L229 WeakPolarHBondContact O-CB 3.42Å; L225-L229 PolarHBondContact O-N 3.08Å; L225-I270 HydrophobicContact CB-CG2 4.04Å; L225-I270 HydrophobicContact CD2-CG2 4.38Å; L225-I270 WeakPolarHBondContact O-CG2 3.33Å; L225-I273 HydrophobicContact CD1-CB 3.92Å; L225-I273 HydrophobicContact CD1-CG2 3.41Å; L225-I273 VanDerWaalsContact CD1-CG2 3.41Å; L225-I273 HydrophobicContact CD2-CD1 4.15Å; L225-I273 HydrophobicContact CD2-CG2 4.42Å; L225-L274 HydrophobicContact CB-CD1 4.26Å; L225-L274 HydrophobicContact CB-CD2 3.69Å; L225-L274 HydrophobicContact CB-CG 3.84Å; L225-L274 HydrophobicContact CD1-CD2 3.97Å; L225-L274 HydrophobicContact CD1-CG 4.02Å; L225-I277 HydrophobicContact CD1-CD1 3.99Å
226G93.3Very high91.4Very high1 Ų139.5 Ų39.51%0.0121%0.209CC..Hα-helixtrans-59-48.2171.300000111.8I222 K223 Q228 L229 E230 L300I222-G226 WeakPolarHBondContact O-CA 3.37Å; I222-G226 PolarHBondContact O-N 3.29Å; K223-G226 PolarHBondContact O-N 3.15Å; G226-Q228 VanDerWaalsContact C-N 3.32Å; G226-Q228 PolarHBondContact O-N 3.23Å; G226-L229 PolarHBondContact O-N 2.8Å; G226-E230 WeakPolarHBondContact O-CB 3.38Å; G226-E230 PolarHBondContact O-N 2.83Å; G226-L300 WeakPolarHBondContact O-CD1 3.24Å
227S91.9Very high91.3Very high42 Ų4241.5 Ų41.529%0.29421%0.211SC..Hα-helixtrans-64.1-34.6174.1-640000112.9K223 L224 A231K223-S227 PolarHBondContact O-N 3.44Å; K223-S227 PolarHBondContact O-OG 2.65Å; L224-S227 PolarHBondContact O-N 2.87Å; S227-A231 WeakPolarHBondContact O-CB 3.45Å; S227-A231 PolarHBondContact O-N 3.08Å
228Q92.3Very high90.9Very high4 Ų438.8 Ų38.82%0.01921%0.205CC..Hα-helixtrans-67.9-38.7173.6-75.7-56.8-58.300112.4L181 N185 L224 L225 G226 T232 I270L181-Q228 PolarHBondContact O-NE2 2.91Å; N185-Q228 PolarHBondContact OD1-NE2 3.08Å; L224-Q228 PolarHBondContact O-N 3.36Å; L224-Q228 VanDerWaalsContact O-N 3.09Å; L225-Q228 PolarHBondContact O-N 3.48Å; G226-Q228 VanDerWaalsContact C-N 3.32Å; G226-Q228 PolarHBondContact O-N 3.23Å; Q228-T232 VanDerWaalsContact O-CB 3.3Å; Q228-T232 WeakPolarHBondContact O-CB 3.27Å; Q228-T232 PolarHBondContact O-N 3.01Å; Q228-T232 PolarHBondContact O-OG1 3.23Å; Q228-I270 HydrophobicContact CB-CD1 3.95Å
229L93.8Very high90.4Very high0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-66.1-46.1176.5-174.759.1000110.7L225 G226 A231 T232 L233 A267 I270 L271 L300L225-L229 WeakPolarHBondContact O-CB 3.42Å; L225-L229 PolarHBondContact O-N 3.08Å; G226-L229 PolarHBondContact O-N 2.8Å; L229-A231 PolarHBondContact O-N 3.36Å; L229-T232 PolarHBondContact O-N 2.64Å; L229-L233 HydrophobicContact CD1-CD1 3.8Å; L229-L233 HydrophobicContact CD1-CG 4.2Å; L229-L233 HydrophobicContact CG-CD1 3.94Å; L229-L233 WeakPolarHBondContact O-CB 3.41Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.4Å; L229-A267 HydrophobicContact CD1-CB 3.78Å; L229-I270 HydrophobicContact CB-CD1 4.49Å; L229-I270 HydrophobicContact CB-CG2 3.98Å; L229-I270 HydrophobicContact CD1-CG2 4.47Å; L229-L271 HydrophobicContact CD2-CD2 4.1Å; L229-L300 HydrophobicContact CD2-CB 4.2Å; L229-L300 HydrophobicContact CD2-CD1 4.48Å
230E92.6Very high90.1Very high40 Ų4040 Ų4019%0.18722%0.222CC..Hα-helixtrans-54.6-49.3174.1-175.5-170.3-174.500112.1G226 L233 C234 L235 W237 Y296 L300G226-E230 WeakPolarHBondContact O-CB 3.38Å; G226-E230 PolarHBondContact O-N 2.83Å; E230-L233 PolarHBondContact O-N 3.48Å; E230-C234 PolarHBondContact O-N 3.46Å; E230-L235 HydrophobicContact CG-CB 3.99Å; E230-L235 PolarHBondContact O-N 2.79Å; E230-L235 VanDerWaalsContact O-N 3.07Å; E230-W237 PolarHBondContact OE1-NE1 2.98Å; E230-Y296 PolarHBondContact OE1-OH 2.95Å; E230-Y296 PolarHBondContact OE2-OH 3.5Å; E230-L300 HydrophobicContact CB-CD2 4.07Å; E230-L300 HydrophobicContact CG-CD2 4.43Å
231A90.6Very high89.8Confident37 Ų3736.5 Ų36.531%0.30621%0.207SC..Hα-helixtrans-65.4-39.5178.200000112.3N185 S227 L229 L233 C234N185-A231 VanDerWaalsContact OD1-CB 3.31Å; N185-A231 WeakPolarHBondContact OD1-CB 3.49Å; S227-A231 WeakPolarHBondContact O-CB 3.45Å; S227-A231 PolarHBondContact O-N 3.08Å; L229-A231 PolarHBondContact O-N 3.36Å; A231-L233 VanDerWaalsContact C-N 3.31Å; A231-L233 PolarHBondContact O-N 2.91Å; A231-C234 PolarHBondContact O-N 3.35Å
232T91Very high89.4Confident5 Ų538.2 Ų38.23%0.03122%0.217CC..Hα-helixtrans-65-36.2178.9-60.40000112R194 Q228 L229 Q263 L266 A267R194-T232 PolarHBondContact NH2-OG1 2.89Å; Q228-T232 VanDerWaalsContact O-CB 3.3Å; Q228-T232 WeakPolarHBondContact O-CB 3.27Å; Q228-T232 PolarHBondContact O-N 3.01Å; Q228-T232 PolarHBondContact O-OG1 3.23Å; L229-T232 PolarHBondContact O-N 2.64Å; T232-Q263 HydrophobicContact CG2-CB 4.33Å; T232-Q263 WeakPolarHBondContact CG2-O 3.38Å; T232-Q263 WeakPolarHBondContact O-CG 3.42Å; T232-Q263 PolarHBondContact O-NE2 3.34Å; T232-L266 HydrophobicContact CG2-CB 3.81Å; T232-L266 HydrophobicContact CG2-CD1 4.33Å; T232-A267 HydrophobicContact CG2-CB 4.43Å
233L90.1Very high89Confident1 Ų138.2 Ų38.21%0.00522%0.218CC..Hα-helixtrans-90.8-0.9179.5-61.3176.2000113.2L229 E230 A231 L235 L259 A267 C304L229-L233 HydrophobicContact CD1-CD1 3.8Å; L229-L233 HydrophobicContact CD1-CG 4.2Å; L229-L233 HydrophobicContact CG-CD1 3.94Å; L229-L233 WeakPolarHBondContact O-CB 3.41Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.4Å; E230-L233 PolarHBondContact O-N 3.48Å; A231-L233 VanDerWaalsContact C-N 3.31Å; A231-L233 PolarHBondContact O-N 2.91Å; L233-L235 HydrophobicContact CB-CD1 4.06Å; L233-L235 HydrophobicContact CB-CD2 3.8Å; L233-L235 HydrophobicContact CB-CG 3.72Å; L233-L235 HydrophobicContact CD1-CD1 4.25Å; L233-L235 WeakPolarHBondContact O-CD2 3.48Å; L233-L259 HydrophobicContact CD2-CD1 3.76Å; L233-L259 HydrophobicContact CD2-CD2 3.76Å; L233-L259 HydrophobicContact CD2-CG 4.44Å; L233-A267 HydrophobicContact CD2-CB 4.38Å; L233-C304 VanDerWaalsContact CD1-SG 3.57Å
234C88.3Confident88.6Confident67 Ų6732.8 Ų32.845%0.45320%0.197SC..THydrogen-bonded Turntrans52.153.2-177.8-58.80000112.8E230 A231 M246E230-C234 PolarHBondContact O-N 3.46Å; A231-C234 PolarHBondContact O-N 3.35Å; C234-M246 WeakPolarHBondContact O-CG 3.12Å; C234-M246 PolarHBondContact O-N 3.38Å
235L88.1Confident88Confident13 Ų1332.8 Ų32.87%0.06820%0.196CC..EExtended strand (participates in β ladder)trans-90.3154.7-174.9-51.6-178.6000113.6E230 L233 A244 R245 L300 H303E230-L235 HydrophobicContact CG-CB 3.99Å; E230-L235 PolarHBondContact O-N 2.79Å; E230-L235 VanDerWaalsContact O-N 3.07Å; L233-L235 HydrophobicContact CB-CD1 4.06Å; L233-L235 HydrophobicContact CB-CD2 3.8Å; L233-L235 HydrophobicContact CB-CG 3.72Å; L233-L235 HydrophobicContact CD1-CD1 4.25Å; L233-L235 WeakPolarHBondContact O-CD2 3.48Å; L235-A244 CarbonylContact C-O 3.44Å; L235-A244 VanDerWaalsContact CA-O 3.24Å; L235-A244 WeakPolarHBondContact CA-O 3.47Å; L235-R245 HydrophobicContact CD2-CG 3.93Å; L235-L300 HydrophobicContact CD1-CD2 3.54Å; L235-H303 HydrophobicContact CD1-CB 4.48Å; L235-H303 WeakPolarHBondContact CD2-CD2 3.18Å; L235-H303 WeakPolarHBondContact CD2-NE2 3.23Å
236C87.4Confident87.2Confident19 Ų1938.2 Ų38.213%0.12822%0.222CC..EExtended strand (participates in β ladder)trans-128.6164.5164.151.50000111.6P238 T243 A244 M246C236-P238 VanDerWaalsContact O-CD 3.24Å; C236-P238 WeakPolarHBondContact O-CD 3.36Å; C236-T243 WeakPolarHBondContact O-CA 3.41Å; C236-A244 PolarHBondContact N-O 3.24Å; C236-A244 PolarHBondContact O-N 2.9Å; C236-M246 HydrophobicContact CB-CG 4.33Å; C236-M246 HydrophobicContact CB-SD 3.41Å; C236-M246 WeakPolarHBondContact CB-SD 3.37Å
237W88.4Confident86.3Confident70 Ų7041.1 Ų41.127%0.26525%0.253SS..EExtended strand (participates in β ladder)trans-11583.1-178.6-58.888.3000110.3E230 D239 V242 T243 Y296 A299 L300E230-W237 PolarHBondContact OE1-NE1 2.98Å; W237-D239 VanDerWaalsContact C-N 3.28Å; W237-D239 PolarHBondContact O-N 3.26Å; W237-V242 WeakPolarHBondContact CA-O 3.34Å; W237-T243 HydrophobicContact CD2-CG2 4.13Å; W237-T243 HydrophobicContact CE3-CG2 3.68Å; W237-T243 HydrophobicContact CH2-CG2 3.37Å; W237-T243 HydrophobicContact CZ2-CG2 3.8Å; W237-T243 HydrophobicContact CZ3-CG2 3.28Å; W237-Y296 HydrophobicContact CD2-CE2 4.28Å; W237-Y296 AromaticContact CE2-CE2 3.45Å; W237-Y296 VanDerWaalsContact CE2-CE2 3.45Å; W237-Y296 AromaticContact CE2-CZ 3.85Å; W237-Y296 AromaticContact CH2-CD2 3.61Å; W237-Y296 HydrophobicContact CH2-CD2 3.61Å; W237-Y296 AromaticContact CH2-CE2 3.47Å; W237-Y296 HydrophobicContact CH2-CE2 3.47Å; W237-Y296 VanDerWaalsContact CH2-CE2 3.47Å; W237-Y296 HydrophobicContact CH2-CG 4.29Å; W237-Y296 AromaticContact CZ2-CD2 3.69Å; W237-Y296 HydrophobicContact CZ2-CD2 3.69Å; W237-Y296 HydrophobicContact CZ2-CE1 4.14Å; W237-Y296 AromaticContact CZ2-CE2 3.01Å; W237-Y296 HydrophobicContact CZ2-CE2 3.01Å; W237-Y296 HydrophobicContact CZ2-CG 4.47Å; W237-Y296 AromaticContact CZ2-CZ 3.27Å; W237-Y296 WeakPolarHBondContact CZ2-OH 3.43Å; W237-Y296 HydrophobicContact CZ3-CD2 4.28Å; W237-Y296 HydrophobicContact CZ3-CE2 4.27Å; W237-Y296 AromaticContact NE1-CE2 3.93Å; W237-Y296 PolarHBondContact NE1-OH 3.19Å; W237-A299 HydrophobicContact CH2-CB 3.78Å; W237-A299 HydrophobicContact CZ3-CB 3.62Å; W237-L300 HydrophobicContact CH2-CD2 4.1Å; W237-L300 HydrophobicContact CH2-CG 4.24Å; W237-L300 HydrophobicContact CZ2-CD2 3.69Å; W237-L300 HydrophobicContact CZ2-CG 4.18Å
238P80.5Confident85.6Confident75 Ų7543.7 Ų43.749%0.48726%0.257SS..EExtended strand (participates in β ladder)trans-63.1-34.9176.824.4-35000112.8C236 V242 A244C236-P238 VanDerWaalsContact O-CD 3.24Å; C236-P238 WeakPolarHBondContact O-CD 3.36Å; P238-V242 WeakPolarHBondContact CD-O 3.43Å; P238-V242 HydrophobicContact CG-CG1 4.32Å; P238-A244 HydrophobicContact CG-CB 4.13Å
239D82.4Confident84.9Confident68 Ų6849 Ų4936%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-134.4156.4177.3-86.7-36.7000108.8W237 L241 V242 K341W237-D239 VanDerWaalsContact C-N 3.28Å; W237-D239 PolarHBondContact O-N 3.26Å; D239-L241 PolarHBondContact O-N 3.47Å; D239-V242 HydrophobicContact CB-CB 3.78Å; D239-V242 HydrophobicContact CB-CG2 3.82Å; D239-V242 PolarHBondContact O-N 2.83Å; D239-V242 VanDerWaalsContact O-O 3.09Å; D239-K341 IonicContact OD2-NZ 3.06Å; D239-K341 PolarHBondContact OD2-NZ 3.37Å
240P84.9Confident83.7Confident117 Ų11752.1 Ų52.176%0.7631%0.313SS*.THydrogen-bonded Turntrans-55.1126.9176.2-24.434000111.7V242P240-V242 PolarHBondContact O-N 3.26Å; P240-V242 VanDerWaalsContact O-N 3.14Å
241L84.8Confident82.6Confident42 Ų4255.1 Ų55.122%0.2233%0.326CS..THydrogen-bonded Turntrans60.914.7-177.7-57.7174.2000115.1D239 R295 A299 R302 V336 L339D239-L241 PolarHBondContact O-N 3.47Å; L241-R295 HydrophobicContact CD1-CB 4.01Å; L241-R295 HydrophobicContact CD2-CB 4.03Å; L241-A299 HydrophobicContact CB-CB 4.42Å; L241-A299 HydrophobicContact CD2-CB 4.41Å; L241-A299 WeakPolarHBondContact O-CB 3.19Å; L241-R302 PolarHBondContact O-NH1 2.98Å; L241-R302 PolarHBondContact O-NH2 3.22Å; L241-V336 HydrophobicContact CB-CG2 4.09Å; L241-V336 HydrophobicContact CD1-CG2 4.47Å; L241-L339 HydrophobicContact CB-CD1 3.95Å; L241-L339 HydrophobicContact CD1-CD1 3.72Å
242V83.4Confident81.7Confident36 Ų3655.7 Ų55.722%0.21833%0.326CS..EExtended strand (participates in β ladder)trans-112.6127.5171.4-1780000108.3W237 P238 D239 P240W237-V242 WeakPolarHBondContact CA-O 3.34Å; P238-V242 WeakPolarHBondContact CD-O 3.43Å; P238-V242 HydrophobicContact CG-CG1 4.32Å; D239-V242 HydrophobicContact CB-CB 3.78Å; D239-V242 HydrophobicContact CB-CG2 3.82Å; D239-V242 PolarHBondContact O-N 2.83Å; D239-V242 VanDerWaalsContact O-O 3.09Å; P240-V242 PolarHBondContact O-N 3.26Å; P240-V242 VanDerWaalsContact O-N 3.14Å
243T85Confident80.7Confident17 Ų1758.1 Ų58.110%0.10434%0.342CS..EExtended strand (participates in β ladder)trans-115.4137.1-17350.20000109.8C236 W237 A299 L300C236-T243 WeakPolarHBondContact O-CA 3.41Å; W237-T243 HydrophobicContact CD2-CG2 4.13Å; W237-T243 HydrophobicContact CE3-CG2 3.68Å; W237-T243 HydrophobicContact CH2-CG2 3.37Å; W237-T243 HydrophobicContact CZ2-CG2 3.8Å; W237-T243 HydrophobicContact CZ3-CG2 3.28Å; T243-A299 HydrophobicContact CG2-CB 4.16Å; T243-L300 HydrophobicContact CG2-CD2 4.49Å
244A82.1Confident79.9Confident14 Ų1465.3 Ų65.312%0.11638%0.376CS..EExtended strand (participates in β ladder)trans-131.2163.2169.800000109.9L235 C236 P238 E249L235-A244 CarbonylContact C-O 3.44Å; L235-A244 VanDerWaalsContact CA-O 3.24Å; L235-A244 WeakPolarHBondContact CA-O 3.47Å; C236-A244 PolarHBondContact N-O 3.24Å; C236-A244 PolarHBondContact O-N 2.9Å; P238-A244 HydrophobicContact CG-CB 4.13Å; A244-E249 HydrophobicContact CB-CG 4.37Å
245R81.9Confident79.3Confident19 Ų1968 Ų687%0.07238%0.382CS..EExtended strand (participates in β ladder)trans-82.8138168.7-66.6-170.5-167.5179.75.3109.3L235 G247 Y248 L256 P257 L259 H303 S307L235-R245 HydrophobicContact CD2-CG 3.93Å; R245-G247 PolarHBondContact O-N 2.82Å; R245-Y248 HydrophobicContact CB-CD2 4.38Å; R245-Y248 PolarHBondContact O-N 3.32Å; R245-L256 HydrophobicContact CB-CD2 4.49Å; R245-P257 PolarHBondContact NH1-O 3.43Å; R245-L259 VanDerWaalsContact CZ-CD2 3.48Å; R245-L259 VanDerWaalsContact NH2-CD2 3.3Å; R245-H303 PolarHBondContact NE-NE2 3.27Å; R245-S307 PolarHBondContact NH2-OG 3.09Å
246M77.8Confident79Confident115 Ų11568.7 Ų68.757%0.56739%0.385SS*.THydrogen-bonded Turntrans-50.4124174.9-71.4-66.8-71.100110.7C234 C236 Y248C234-M246 WeakPolarHBondContact O-CG 3.12Å; C234-M246 PolarHBondContact O-N 3.38Å; C236-M246 HydrophobicContact CB-CG 4.33Å; C236-M246 HydrophobicContact CB-SD 3.41Å; C236-M246 WeakPolarHBondContact CB-SD 3.37Å; M246-Y248 VanDerWaalsContact C-N 3.34Å
247G75.4Confident78.8Confident63 Ų6370.3 Ų70.365%0.64940%0.396SS*.THydrogen-bonded Turntrans83.9-1.1-179.400000115.9R245R245-G247 PolarHBondContact O-N 2.82Å
248Y77.3Confident78.9Confident96 Ų9672.8 Ų72.838%0.37641%0.41SS..  trans-126.835175.9-63.3-87.3000111.5R245 M246 G250 F251 L256 P257R245-Y248 HydrophobicContact CB-CD2 4.38Å; R245-Y248 PolarHBondContact O-N 3.32Å; M246-Y248 VanDerWaalsContact C-N 3.34Å; Y248-G250 PolarHBondContact O-N 3.37Å; Y248-F251 HydrophobicContact CD1-CD2 4.4Å; Y248-F251 HydrophobicContact CD1-CG 4.39Å; Y248-F251 PolarHBondContact O-N 2.8Å; Y248-L256 HydrophobicContact CD1-CD2 4.39Å; Y248-L256 HydrophobicContact CG-CD2 3.97Å; Y248-P257 HydrophobicContact CE1-CG 4.41Å; Y248-P257 HydrophobicContact CE2-CG 3.95Å
249E77.1Confident79.4Confident116 Ų11669.2 Ų69.254%0.54239%0.387SS..THydrogen-bonded Turntrans-63.9124.8177.6-67.4149.6-166.500110.1A244 F251A244-E249 HydrophobicContact CB-CG 4.37Å; E249-F251 VanDerWaalsContact C-N 3.31Å; E249-F251 PolarHBondContact O-N 3.45Å
250G68.7Low79.8Confident64 Ų6468.4 Ų68.466%0.6639%0.387SS*.THydrogen-bonded Turntrans77.47.7-179.600000115.6Y248Y248-G250 PolarHBondContact O-N 3.37Å
251F69.6Low80.1Confident104 Ų10469.4 Ų69.446%0.45638%0.375SS..  trans-83.1140169.9-76.2-99.8000110.7Y248 E249Y248-F251 HydrophobicContact CD1-CD2 4.4Å; Y248-F251 HydrophobicContact CD1-CG 4.39Å; Y248-F251 PolarHBondContact O-N 2.8Å; E249-F251 VanDerWaalsContact C-N 3.31Å; E249-F251 PolarHBondContact O-N 3.45Å
252P71.1Confident80.5Confident48 Ų4872.6 Ų72.631%0.31239%0.389SS..  trans-64.7149.5176.427.1-33.4000110.6E254 E255P252-E254 PolarHBondContact O-N 3.49Å; P252-E255 HydrophobicContact CG-CB 4.11Å; P252-E255 VanDerWaalsContact CG-CD 3.48Å; P252-E255 HydrophobicContact CG-CG 3.77Å; P252-E255 PolarHBondContact O-N 2.84Å
253P71.4Confident80.9Confident56 Ų5673.4 Ų73.436%0.36439%0.391SS..G310 helixtrans-56.3-27.2-177.6-27.234.6000115E255 L256 M306P253-E255 VanDerWaalsContact C-N 3.31Å; P253-E255 PolarHBondContact O-N 3.22Å; P253-L256 WeakPolarHBondContact O-CB 3.42Å; P253-L256 PolarHBondContact O-N 3.43Å; P253-M306 HydrophobicContact CB-CB 4.11Å; P253-M306 HydrophobicContact CG-CB 4.36Å
254E72.5Confident81.4Confident152 Ų15272.8 Ų72.871%0.7139%0.387SS*.G310 helixtrans-70-26.7-179.8-59.3-176.8167.400113.4P252P252-E254 PolarHBondContact O-N 3.49Å
255E76.1Confident82Confident125 Ų12574.8 Ų74.858%0.58439%0.393SS*.G310 helixtrans-92.3-6-180-67.3179.2-169.100112.4P252 P253P252-E255 HydrophobicContact CG-CB 4.11Å; P252-E255 VanDerWaalsContact CG-CD 3.48Å; P252-E255 HydrophobicContact CG-CG 3.77Å; P252-E255 PolarHBondContact O-N 2.84Å; P253-E255 VanDerWaalsContact C-N 3.31Å; P253-E255 PolarHBondContact O-N 3.22Å
256L81.2Confident82.6Confident27 Ų2774.1 Ų74.114%0.14139%0.392CS..SBendtrans-68.2139.4177.6-69.9173.3000111R245 Y248 P253R245-L256 HydrophobicContact CB-CD2 4.49Å; Y248-L256 HydrophobicContact CD1-CD2 4.39Å; Y248-L256 HydrophobicContact CG-CD2 3.97Å; P253-L256 WeakPolarHBondContact O-CB 3.42Å; P253-L256 PolarHBondContact O-N 3.43Å
257P84.3Confident83.5Confident53 Ų5368.7 Ų68.734%0.34437%0.365SS..PPolyproline II helixtrans-61.5148.3174.726-33.7000110.9R245 Y248R245-P257 PolarHBondContact NH1-O 3.43Å; Y248-P257 HydrophobicContact CE1-CG 4.41Å; Y248-P257 HydrophobicContact CE2-CG 3.95Å
258Q89.1Confident84.5Confident121 Ų12166.1 Ų66.157%0.56534%0.336SS*.PPolyproline II helixtrans-63147.1174.6-66.4178.80.900110.8R308Q258-R308 WeakPolarHBondContact CA-O 3.06Å; Q258-R308 HydrophobicContact CG-CB 4.33Å
259L90.4Very high85.4Confident1 Ų161.8 Ų61.81%0.00532%0.319CS..BIsolated β-bridgetrans-66.9136.8172.5-66.1172.8000109.7L233 R245 R308 D310 F318L233-L259 HydrophobicContact CD2-CD1 3.76Å; L233-L259 HydrophobicContact CD2-CD2 3.76Å; L233-L259 HydrophobicContact CD2-CG 4.44Å; R245-L259 VanDerWaalsContact CZ-CD2 3.48Å; R245-L259 VanDerWaalsContact NH2-CD2 3.3Å; L259-R308 PolarHBondContact N-O 3.23Å; L259-D310 PolarHBondContact O-N 3.33Å; L259-F318 HydrophobicContact CD1-CE1 3.88Å; L259-F318 HydrophobicContact CD1-CZ 4.18Å
260S92Very high86.3Confident51 Ų5156.2 Ų56.236%0.35729%0.293SS..PPolyproline II helixtrans-63.6157.2173.168.90000110.7Q262 Q263 T264S260-Q262 VanDerWaalsContact C-N 3.28Å; S260-Q262 PolarHBondContact O-N 3.25Å; S260-Q263 VanDerWaalsContact N-OE1 3.12Å; S260-Q263 PolarHBondContact O-N 3.38Å; S260-Q263 WeakPolarHBondContact OG-CB 3.26Å; S260-Q263 WeakPolarHBondContact OG-CG 3.46Å; S260-Q263 PolarHBondContact OG-N 3.36Å; S260-Q263 PolarHBondContact OG-OE1 3.25Å; S260-T264 PolarHBondContact O-N 3.41Å; S260-T264 PolarHBondContact O-OG1 3.25Å
261R92Very high87.7Confident137 Ų13753.2 Ų53.252%0.51726%0.262SS..Hα-helixtrans-54.7-45.4176-179.4177.7174173.51.6111.9T264 E265R261-T264 PolarHBondContact O-N 3.2Å; R261-E265 HydrophobicContact CG-CG 4.46Å; R261-E265 WeakPolarHBondContact CG-OE1 3.28Å; R261-E265 IonicContact CZ-OE1 3.01Å; R261-E265 IonicContact NE-OE1 2.93Å; R261-E265 PolarHBondContact NE-OE1 2.96Å; R261-E265 IonicContact NH2-OE1 3.66Å; R261-E265 WeakPolarHBondContact O-CG 3.5Å; R261-E265 PolarHBondContact O-N 3.24Å
262Q91.8Very high89Confident110 Ų11049.9 Ų49.951%0.51425%0.247SC..Hα-helixtrans-62.6-44.2-179.9-75.1-176.3-19.400112.5H191 S260 T264 E265 L266H191-Q262 VanDerWaalsContact CD2-CB 3.45Å; H191-Q262 WeakPolarHBondContact CD2-CB 3.47Å; H191-Q262 WeakPolarHBondContact NE2-CA 3.48Å; H191-Q262 PolarHBondContact NE2-O 2.89Å; S260-Q262 VanDerWaalsContact C-N 3.28Å; S260-Q262 PolarHBondContact O-N 3.25Å; Q262-T264 VanDerWaalsContact C-N 3.34Å; Q262-E265 PolarHBondContact O-N 3.46Å; Q262-L266 WeakPolarHBondContact O-CG 3.43Å; Q262-L266 PolarHBondContact O-N 3.47Å; Q262-L266 VanDerWaalsContact O-N 3.12Å
263Q92.5Very high90.2Very high53 Ų5347.6 Ų47.625%0.24823%0.233CC..Hα-helixtrans-63.4-41.6176.1-72.7170-62.200111.5T232 S260 L266 A267T232-Q263 HydrophobicContact CG2-CB 4.33Å; T232-Q263 WeakPolarHBondContact CG2-O 3.38Å; T232-Q263 WeakPolarHBondContact O-CG 3.42Å; T232-Q263 PolarHBondContact O-NE2 3.34Å; S260-Q263 VanDerWaalsContact N-OE1 3.12Å; S260-Q263 PolarHBondContact O-N 3.38Å; S260-Q263 WeakPolarHBondContact OG-CB 3.26Å; S260-Q263 WeakPolarHBondContact OG-CG 3.46Å; S260-Q263 PolarHBondContact OG-N 3.36Å; S260-Q263 PolarHBondContact OG-OE1 3.25Å; Q263-L266 PolarHBondContact O-N 2.83Å; Q263-A267 VanDerWaalsContact O-CB 3.24Å; Q263-A267 WeakPolarHBondContact O-CB 3.33Å; Q263-A267 PolarHBondContact O-N 2.99Å
264T94.4Very high91.5Very high3 Ų345 Ų452%0.01822%0.215CC..Hα-helixtrans-64.4-44.9179.3-52.40000111S260 R261 Q262 L266 A267 I268 A309 F318S260-T264 PolarHBondContact O-N 3.41Å; S260-T264 PolarHBondContact O-OG1 3.25Å; R261-T264 PolarHBondContact O-N 3.2Å; Q262-T264 VanDerWaalsContact C-N 3.34Å; T264-L266 PolarHBondContact O-N 2.92Å; T264-A267 PolarHBondContact O-N 3.25Å; T264-I268 HydrophobicContact CG2-CD1 3.86Å; T264-I268 HydrophobicContact CG2-CG1 4.4Å; T264-I268 WeakPolarHBondContact O-CB 3.3Å; T264-I268 VanDerWaalsContact O-CG1 3.28Å; T264-I268 WeakPolarHBondContact O-CG1 3.4Å; T264-I268 PolarHBondContact O-N 3.23Å; T264-A309 HydrophobicContact CG2-CB 3.81Å; T264-F318 HydrophobicContact CG2-CB 4.35Å; T264-F318 HydrophobicContact CG2-CG 4.49Å
265E94.7Very high92.6Very high56 Ų5640.5 Ų40.526%0.26219%0.194SC..Hα-helixtrans-60.5-45.9177.8-74.2169.8178.800111.8H191 F195 R261 Q262 E269H191-E265 IonicContact CE1-OE2 2.89Å; H191-E265 PolarHBondContact CE1-OE2 2.73Å; H191-E265 IonicContact NE2-OE2 3.44Å; F195-E265 HydrophobicContact CD2-CB 4.35Å; F195-E265 HydrophobicContact CE2-CB 4.25Å; R261-E265 HydrophobicContact CG-CG 4.46Å; R261-E265 WeakPolarHBondContact CG-OE1 3.28Å; R261-E265 IonicContact CZ-OE1 3.01Å; R261-E265 IonicContact NE-OE1 2.93Å; R261-E265 PolarHBondContact NE-OE1 2.96Å; R261-E265 IonicContact NH2-OE1 3.66Å; R261-E265 WeakPolarHBondContact O-CG 3.5Å; R261-E265 PolarHBondContact O-N 3.24Å; Q262-E265 PolarHBondContact O-N 3.46Å; E265-E269 WeakPolarHBondContact O-CG 3.39Å; E265-E269 PolarHBondContact O-N 3.42Å
266L95Very high93.4Very high6 Ų635.4 Ų35.43%0.03117%0.17CC..Hα-helixtrans-64.6-46.2176.4-67.8176.7000111.8R194 F195 L198 T232 Q262 Q263 T264 I268 E269 I270R194-L266 HydrophobicContact CB-CD2 3.98Å; F195-L266 HydrophobicContact CB-CD2 3.84Å; F195-L266 HydrophobicContact CD2-CD2 4.45Å; L198-L266 HydrophobicContact CD1-CB 4.28Å; L198-L266 HydrophobicContact CD1-CD2 3.77Å; T232-L266 HydrophobicContact CG2-CB 3.81Å; T232-L266 HydrophobicContact CG2-CD1 4.33Å; Q262-L266 WeakPolarHBondContact O-CG 3.43Å; Q262-L266 PolarHBondContact O-N 3.47Å; Q262-L266 VanDerWaalsContact O-N 3.12Å; Q263-L266 PolarHBondContact O-N 2.83Å; T264-L266 PolarHBondContact O-N 2.92Å; L266-I268 VanDerWaalsContact C-N 3.34Å; L266-I268 PolarHBondContact O-N 2.7Å; L266-E269 PolarHBondContact O-N 2.95Å; L266-I270 WeakPolarHBondContact O-CG1 3.39Å; L266-I270 PolarHBondContact O-N 3Å
267A96Very high94Very high0 Ų034.8 Ų34.80%017%0.167CC..Hα-helixtrans-61.6-42.4-179.900000111.5L229 T232 L233 Q263 T264 E269 I270 L271 F318L229-A267 HydrophobicContact CD1-CB 3.78Å; T232-A267 HydrophobicContact CG2-CB 4.43Å; L233-A267 HydrophobicContact CD2-CB 4.38Å; Q263-A267 VanDerWaalsContact O-CB 3.24Å; Q263-A267 WeakPolarHBondContact O-CB 3.33Å; Q263-A267 PolarHBondContact O-N 2.99Å; T264-A267 PolarHBondContact O-N 3.25Å; A267-E269 PolarHBondContact O-N 3.24Å; A267-I270 PolarHBondContact O-N 3.27Å; A267-L271 VanDerWaalsContact O-CG 3.24Å; A267-L271 WeakPolarHBondContact O-CG 3.44Å; A267-L271 PolarHBondContact O-N 3.13Å; A267-F318 HydrophobicContact CB-CE2 3.71Å; A267-F318 HydrophobicContact CB-CZ 4.34Å
268I96.5Very high94.3Very high10 Ų1032.3 Ų32.35%0.05115%0.151CC..Hα-helixtrans-60.5-44.1175.8-73.7172.7000111.3T264 L266 L271 K272 E317 F318T264-I268 HydrophobicContact CG2-CD1 3.86Å; T264-I268 HydrophobicContact CG2-CG1 4.4Å; T264-I268 WeakPolarHBondContact O-CB 3.3Å; T264-I268 VanDerWaalsContact O-CG1 3.28Å; T264-I268 WeakPolarHBondContact O-CG1 3.4Å; T264-I268 PolarHBondContact O-N 3.23Å; L266-I268 VanDerWaalsContact C-N 3.34Å; L266-I268 PolarHBondContact O-N 2.7Å; I268-L271 PolarHBondContact O-N 3.46Å; I268-K272 HydrophobicContact CG2-CD 4.18Å; I268-K272 VanDerWaalsContact O-CG 3.31Å; I268-K272 WeakPolarHBondContact O-CG 3.3Å; I268-K272 PolarHBondContact O-N 3.21Å; I268-E317 HydrophobicContact CD1-CG 4.19Å; I268-F318 HydrophobicContact CD1-CB 4.34Å; I268-F318 HydrophobicContact CG1-CB 4.38Å; I268-F318 HydrophobicContact CG1-CD2 3.8Å
269E96.7Very high94Very high4 Ų431.5 Ų31.52%0.01915%0.146CC..Hα-helixtrans-64.4-40.6177.1-68.2-58.4130.900111.8F195 L198 R199 E265 L266 A267 L271 K272 I273F195-E269 HydrophobicContact CD2-CG 4.11Å; F195-E269 HydrophobicContact CE2-CG 3.69Å; F195-E269 HydrophobicContact CZ-CG 4.46Å; L198-E269 HydrophobicContact CB-CB 3.82Å; L198-E269 HydrophobicContact CD1-CB 4.37Å; R199-E269 IonicContact CZ-OE1 3.61Å; R199-E269 IonicContact CZ-OE2 3.89Å; R199-E269 IonicContact NE-OE2 2.73Å; R199-E269 IonicContact NH1-OE1 2.93Å; R199-E269 PolarHBondContact NH1-OE1 3.06Å; R199-E269 IonicContact NH1-OE2 3.77Å; R199-E269 PolarHBondContact NH1-OE2 3.07Å; R199-E269 VanDerWaalsContact NH2-CD 3.29Å; R199-E269 IonicContact NH2-OE1 2.75Å; R199-E269 PolarHBondContact NH2-OE1 3.35Å; R199-E269 IonicContact NH2-OE2 3.97Å; E265-E269 WeakPolarHBondContact O-CG 3.39Å; E265-E269 PolarHBondContact O-N 3.42Å; L266-E269 PolarHBondContact O-N 2.95Å; A267-E269 PolarHBondContact O-N 3.24Å; E269-L271 PolarHBondContact O-N 3.14Å; E269-K272 PolarHBondContact O-N 2.77Å; E269-K272 IonicContact OE1-NZ 3.68Å; E269-K272 PolarHBondContact OE1-NZ 3.21Å; E269-I273 WeakPolarHBondContact O-CD1 3.4Å; E269-I273 VanDerWaalsContact O-CG1 3.28Å; E269-I273 WeakPolarHBondContact O-CG1 3.41Å; E269-I273 PolarHBondContact O-N 2.8Å; E269-I273 VanDerWaalsContact O-N 3.08Å
270I97.4Very high93.1Very high0 Ų035 Ų350%017%0.165CC..Hα-helixtrans-59.6-46.8173.6-65.8163.1000111.1L198 L225 Q228 L229 L266 A267 K272 I273 L274L198-I270 HydrophobicContact CD1-CD1 4.18Å; L198-I270 HydrophobicContact CD1-CG1 3.74Å; L198-I270 HydrophobicContact CD2-CG1 3.61Å; L198-I270 HydrophobicContact CG-CG1 4.32Å; L225-I270 HydrophobicContact CB-CG2 4.04Å; L225-I270 HydrophobicContact CD2-CG2 4.38Å; L225-I270 WeakPolarHBondContact O-CG2 3.33Å; Q228-I270 HydrophobicContact CB-CD1 3.95Å; L229-I270 HydrophobicContact CB-CD1 4.49Å; L229-I270 HydrophobicContact CB-CG2 3.98Å; L229-I270 HydrophobicContact CD1-CG2 4.47Å; L266-I270 WeakPolarHBondContact O-CG1 3.39Å; L266-I270 PolarHBondContact O-N 3Å; A267-I270 PolarHBondContact O-N 3.27Å; I270-K272 VanDerWaalsContact C-N 3.31Å; I270-K272 PolarHBondContact O-N 3.46Å; I270-I273 PolarHBondContact O-N 2.88Å; I270-L274 HydrophobicContact CG2-CD1 3.74Å; I270-L274 HydrophobicContact CG2-CG 4.3Å; I270-L274 WeakPolarHBondContact O-CB 3.34Å; I270-L274 WeakPolarHBondContact O-CG 3.31Å; I270-L274 PolarHBondContact O-N 3.09Å
271L97.5Very high92.1Very high0 Ų033.4 Ų33.40%015%0.153CC..Hα-helixtrans-60.7-38.3178-68.8173.9000112.2L229 A267 I268 E269 F275 L301 F318 H321 L325L229-L271 HydrophobicContact CD2-CD2 4.1Å; A267-L271 VanDerWaalsContact O-CG 3.24Å; A267-L271 WeakPolarHBondContact O-CG 3.44Å; A267-L271 PolarHBondContact O-N 3.13Å; I268-L271 PolarHBondContact O-N 3.46Å; E269-L271 PolarHBondContact O-N 3.14Å; L271-F275 WeakPolarHBondContact O-CB 3.17Å; L271-F275 PolarHBondContact O-N 2.79Å; L271-L301 HydrophobicContact CD2-CD2 3.37Å; L271-F318 HydrophobicContact CD1-CD2 3.88Å; L271-F318 HydrophobicContact CD1-CE2 3.6Å; L271-H321 HydrophobicContact CB-CB 4.08Å; L271-H321 HydrophobicContact CD1-CB 4Å; L271-L325 HydrophobicContact CD2-CD2 3.73Å
272K96.6Very high90.7Very high35 Ų3529.9 Ų29.915%0.15214%0.144CC..Hα-helixtrans-65.1-42.2176-72170.7-173.5165.70112.1F202 I268 E269 I270 F275 N276 H321F202-K272 HydrophobicContact CD2-CB 3.58Å; F202-K272 HydrophobicContact CE2-CB 3.74Å; F202-K272 HydrophobicContact CE2-CD 4.35Å; F202-K272 HydrophobicContact CE2-CG 4.4Å; F202-K272 HydrophobicContact CG-CB 4.46Å; I268-K272 HydrophobicContact CG2-CD 4.18Å; I268-K272 VanDerWaalsContact O-CG 3.31Å; I268-K272 WeakPolarHBondContact O-CG 3.3Å; I268-K272 PolarHBondContact O-N 3.21Å; E269-K272 PolarHBondContact O-N 2.77Å; E269-K272 IonicContact OE1-NZ 3.68Å; E269-K272 PolarHBondContact OE1-NZ 3.21Å; I270-K272 VanDerWaalsContact C-N 3.31Å; I270-K272 PolarHBondContact O-N 3.46Å; K272-F275 PolarHBondContact O-N 2.94Å; K272-N276 PolarHBondContact O-N 2.86Å; K272-N276 VanDerWaalsContact O-N 3.08Å; K272-H321 VanDerWaalsContact CE-CE1 3.47Å; K272-H321 WeakPolarHBondContact CE-CE1 3.41Å; K272-H321 WeakPolarHBondContact CE-NE2 3.45Å
273I97.1Very high89.5Confident0 Ų035 Ų350%016%0.159CC..Hα-helixtrans-66.6-46.4177.3-57156.9000110.1L198 T201 F202 T205 L215 L225 E269 I270 F275 N276 I277L198-I273 HydrophobicContact CB-CD1 4.13Å; L198-I273 HydrophobicContact CD2-CD1 3.72Å; L198-I273 WeakPolarHBondContact O-CD1 3.32Å; T201-I273 HydrophobicContact CG2-CD1 3.9Å; T201-I273 HydrophobicContact CG2-CG1 4.23Å; T201-I273 HydrophobicContact CG2-CG2 3.75Å; F202-I273 HydrophobicContact CB-CG1 3.79Å; T205-I273 HydrophobicContact CG2-CG2 4.34Å; L215-I273 HydrophobicContact CD2-CG2 3.78Å; L225-I273 HydrophobicContact CD1-CB 3.92Å; L225-I273 HydrophobicContact CD1-CG2 3.41Å; L225-I273 VanDerWaalsContact CD1-CG2 3.41Å; L225-I273 HydrophobicContact CD2-CD1 4.15Å; L225-I273 HydrophobicContact CD2-CG2 4.42Å; E269-I273 WeakPolarHBondContact O-CD1 3.4Å; E269-I273 VanDerWaalsContact O-CG1 3.28Å; E269-I273 WeakPolarHBondContact O-CG1 3.41Å; E269-I273 PolarHBondContact O-N 2.8Å; E269-I273 VanDerWaalsContact O-N 3.08Å; I270-I273 PolarHBondContact O-N 2.88Å; I273-F275 VanDerWaalsContact C-N 3.27Å; I273-F275 PolarHBondContact O-N 3.11Å; I273-N276 WeakPolarHBondContact O-CB 3.33Å; I273-N276 PolarHBondContact O-N 3.47Å; I273-N276 VanDerWaalsContact O-N 3.08Å; I273-I277 PolarHBondContact O-N 2.85Å
274L96.8Very high88.5Confident0 Ų039.9 Ų39.90%018%0.175CC..Hα-helixtrans-56.8-41.9175.6-78.1168.7000111.2L225 I270 N276 I277 T278 L297 L325L225-L274 HydrophobicContact CB-CD1 4.26Å; L225-L274 HydrophobicContact CB-CD2 3.69Å; L225-L274 HydrophobicContact CB-CG 3.84Å; L225-L274 HydrophobicContact CD1-CD2 3.97Å; L225-L274 HydrophobicContact CD1-CG 4.02Å; I270-L274 HydrophobicContact CG2-CD1 3.74Å; I270-L274 HydrophobicContact CG2-CG 4.3Å; I270-L274 WeakPolarHBondContact O-CB 3.34Å; I270-L274 WeakPolarHBondContact O-CG 3.31Å; I270-L274 PolarHBondContact O-N 3.09Å; L274-N276 PolarHBondContact O-N 2.93Å; L274-I277 HydrophobicContact CD2-CD1 4.2Å; L274-I277 WeakPolarHBondContact O-CG1 3.36Å; L274-I277 PolarHBondContact O-N 3.18Å; L274-T278 WeakPolarHBondContact O-CB 3.48Å; L274-T278 VanDerWaalsContact O-CG2 3.29Å; L274-T278 WeakPolarHBondContact O-CG2 3.47Å; L274-T278 PolarHBondContact O-N 3.28Å; L274-T278 PolarHBondContact O-OG1 3.02Å; L274-L297 HydrophobicContact CD1-CD1 3.87Å; L274-L297 HydrophobicContact CD2-CD2 4.3Å; L274-L325 HydrophobicContact CB-CD1 3.96Å; L274-L325 HydrophobicContact CB-CD2 3.5Å; L274-L325 VanDerWaalsContact CB-CD2 3.5Å; L274-L325 HydrophobicContact CB-CG 4.42Å; L274-L325 HydrophobicContact CD1-CD2 3.9Å; L274-L325 HydrophobicContact CG-CD2 4.32Å
275F95.6Very high87.5Confident58 Ų5849.8 Ų49.825%0.25422%0.217SC..Hα-helixtrans-60-44.9174.6179.9-91.8000111.9L271 K272 I273 I277 T278 F279 N324 N328L271-F275 WeakPolarHBondContact O-CB 3.17Å; L271-F275 PolarHBondContact O-N 2.79Å; K272-F275 PolarHBondContact O-N 2.94Å; I273-F275 VanDerWaalsContact C-N 3.27Å; I273-F275 PolarHBondContact O-N 3.11Å; F275-I277 PolarHBondContact O-N 3.36Å; F275-T278 PolarHBondContact O-N 3.02Å; F275-T278 PolarHBondContact O-OG1 3.31Å; F275-F279 AromaticContact CE1-CD2 3.98Å; F275-F279 HydrophobicContact CE1-CD2 3.98Å; F275-F279 AromaticContact CZ-CD2 3.86Å; F275-F279 HydrophobicContact CZ-CD2 3.86Å; F275-F279 HydrophobicContact CZ-CE2 4.22Å; F275-F279 PolarHBondContact O-N 3.43Å; F275-F279 VanDerWaalsContact O-N 3.15Å; F275-N324 HydrophobicContact CD2-CB 3.91Å; F275-N324 HydrophobicContact CE2-CB 3.89Å; F275-N328 WeakPolarHBondContact CD2-ND2 3.32Å; F275-N328 VanDerWaalsContact CE2-ND2 3.33Å; F275-N328 WeakPolarHBondContact CE2-ND2 3.43Å; F275-N328 PolarHBondContact O-ND2 3.48Å
276N94.5Very high86.9Confident18 Ų1848.9 Ų48.910%0.09622%0.216CC..Hα-helixtrans-59.8-47.6178.4-70.1-16.2000111.8F202 T205 A206 R212 K272 I273 L274 T278F202-N276 WeakPolarHBondContact CD2-ND2 3.43Å; T205-N276 PolarHBondContact OG1-ND2 3.39Å; T205-N276 VanDerWaalsContact OG1-ND2 3.15Å; A206-N276 PolarHBondContact N-ND2 3.44Å; R212-N276 WeakPolarHBondContact CD-O 3.49Å; K272-N276 PolarHBondContact O-N 2.86Å; K272-N276 VanDerWaalsContact O-N 3.08Å; I273-N276 WeakPolarHBondContact O-CB 3.33Å; I273-N276 PolarHBondContact O-N 3.47Å; I273-N276 VanDerWaalsContact O-N 3.08Å; L274-N276 PolarHBondContact O-N 2.93Å; N276-T278 VanDerWaalsContact C-N 3.35Å
277I93.1Very high86.4Confident15 Ų1552.7 Ų52.78%0.07724%0.236CC..Hα-helixtrans-76.3-20-176.166.4172.7000113.7T205 R212 L215 A216 I222 L225 I273 L274 F275T205-I277 HydrophobicContact CG2-CG2 4.3Å; R212-I277 HydrophobicContact CG-CG2 4.11Å; L215-I277 HydrophobicContact CB-CG2 4.39Å; L215-I277 HydrophobicContact CD2-CG2 3.98Å; L215-I277 HydrophobicContact CG-CG2 4.33Å; A216-I277 HydrophobicContact CB-CB 4.03Å; A216-I277 HydrophobicContact CB-CG2 4.46Å; I222-I277 HydrophobicContact CG1-CD1 3.98Å; L225-I277 HydrophobicContact CD1-CD1 3.99Å; I273-I277 PolarHBondContact O-N 2.85Å; L274-I277 HydrophobicContact CD2-CD1 4.2Å; L274-I277 WeakPolarHBondContact O-CG1 3.36Å; L274-I277 PolarHBondContact O-N 3.18Å; F275-I277 PolarHBondContact O-N 3.36Å
278T90.7Very high85.9Confident0 Ų059.8 Ų59.80%027%0.269CS..Hα-helixtrans-100.30.8179.658.50000114I222 L274 F275 N276 D280 T281 Y294 L325 N328I222-T278 HydrophobicContact CD1-CG2 4.33Å; I222-T278 HydrophobicContact CG1-CG2 4.4Å; L274-T278 WeakPolarHBondContact O-CB 3.48Å; L274-T278 VanDerWaalsContact O-CG2 3.29Å; L274-T278 WeakPolarHBondContact O-CG2 3.47Å; L274-T278 PolarHBondContact O-N 3.28Å; L274-T278 PolarHBondContact O-OG1 3.02Å; F275-T278 PolarHBondContact O-N 3.02Å; F275-T278 PolarHBondContact O-OG1 3.31Å; N276-T278 VanDerWaalsContact C-N 3.35Å; T278-D280 PolarHBondContact O-N 3.3Å; T278-T281 PolarHBondContact O-N 3.14Å; T278-T281 PolarHBondContact O-OG1 3.37Å; T278-Y294 HydrophobicContact CG2-CE1 4.19Å; T278-L325 HydrophobicContact CG2-CD1 4.29Å; T278-L325 WeakPolarHBondContact OG1-CD1 3.46Å; T278-N328 PolarHBondContact OG1-ND2 3.29Å
279F82.4Confident85.4Confident105 Ų10566.4 Ų66.446%0.46130%0.3SS..THydrogen-bonded Turntrans-53.8-32.9-169.9-176.7-100000115.3F275F275-F279 AromaticContact CE1-CD2 3.98Å; F275-F279 HydrophobicContact CE1-CD2 3.98Å; F275-F279 AromaticContact CZ-CD2 3.86Å; F275-F279 HydrophobicContact CZ-CD2 3.86Å; F275-F279 HydrophobicContact CZ-CE2 4.22Å; F275-F279 PolarHBondContact O-N 3.43Å; F275-F279 VanDerWaalsContact O-N 3.15Å
280D71.9Confident84.9Confident75 Ų7570.1 Ų70.140%0.40132%0.318SS..THydrogen-bonded Turntrans-103.17-178-70.1-42.3000114.5T278T278-D280 PolarHBondContact O-N 3.3Å
281T70Confident84.5Confident17 Ų1770.6 Ų70.610%0.10432%0.321CS..G310 helixtrans-77.3-32.7-169.353.50000113.3T278 R283 R284 Y294 N328T278-T281 PolarHBondContact O-N 3.14Å; T278-T281 PolarHBondContact O-OG1 3.37Å; T281-R283 PolarHBondContact O-N 2.88Å; T281-R283 VanDerWaalsContact O-N 3.14Å; T281-R284 PolarHBondContact O-N 2.88Å; T281-R284 VanDerWaalsContact O-N 3.09Å; T281-Y294 HydrophobicContact CG2-CE1 4.36Å; T281-Y294 WeakPolarHBondContact CG2-OH 3.24Å; T281-N328 PolarHBondContact OG1-O 2.9Å
282N63.7Low84.2Confident63 Ų6375 Ų7534%0.33735%0.348SS..G310 helixtrans-64.2-17.7178.762.613.5000114.5G327 N328N282-G327 PolarHBondContact ND2-O 2.72Å; N282-G327 VanDerWaalsContact ND2-O 3.09Å; N282-N328 PolarHBondContact N-O 2.88Å
283R66.9Low83.9Confident217 Ų21775.8 Ų75.882%0.81935%0.352SS*.G310 helixtrans-92.3-8.8177.5-70.9174.1-174.3-169.70.6113.4T281T281-R283 PolarHBondContact O-N 2.88Å; T281-R283 VanDerWaalsContact O-N 3.14Å
284R71.8Confident83.6Confident155 Ų15576.4 Ų76.459%0.58536%0.355SS*.SBendtrans-102.6148.6-175.4-64.6-176.7-173.6-169.12.9110.3T281 V286T281-R284 PolarHBondContact O-N 2.88Å; T281-R284 VanDerWaalsContact O-N 3.09Å; R284-V286 PolarHBondContact O-N 3.31Å
285K72.8Confident83.4Confident211 Ų21179 Ų7992%0.91736%0.364SS*.PPolyproline II helixtrans-74.9123.5164-70.7-174.1179.6-177.30106.9
286V81.6Confident83.3Confident38 Ų3879.1 Ų79.123%0.2336%0.364CS..PPolyproline II helixtrans-98.7139.1-178.6177.70000107.7R284 E290 A291 Y294 P330R284-V286 PolarHBondContact O-N 3.31Å; V286-E290 HydrophobicContact CG1-CB 3.29Å; V286-E290 HydrophobicContact CG1-CG 4.43Å; V286-E290 WeakPolarHBondContact CG1-OE2 3.32Å; V286-A291 HydrophobicContact CG1-CB 4.21Å; V286-Y294 HydrophobicContact CG1-CD2 3.68Å; V286-Y294 HydrophobicContact CG1-CE2 3.62Å; V286-Y294 HydrophobicContact CG2-CD2 4.48Å; V286-Y294 HydrophobicContact CG2-CE2 4.02Å; V286-P330 HydrophobicContact CB-CG 4.16Å; V286-P330 HydrophobicContact CG1-CG 4.33Å; V286-P330 HydrophobicContact CG2-CB 4.02Å; V286-P330 HydrophobicContact CG2-CG 3.44Å; V286-P330 VanDerWaalsContact CG2-CG 3.44Å
287D84.8Confident83.3Confident85 Ų8578.3 Ų78.346%0.45536%0.359SS..  trans-77176.217568.831.2000111.8E289 E290 A291D287-E289 VanDerWaalsContact C-N 3.31Å; D287-E289 PolarHBondContact O-N 3.14Å; D287-E289 PolarHBondContact OD1-N 3.21Å; D287-E290 WeakPolarHBondContact OD1-CB 3.4Å; D287-E290 WeakPolarHBondContact OD1-CG 3.36Å; D287-E290 PolarHBondContact OD1-N 3.24Å; D287-A291 WeakPolarHBondContact O-CB 3.42Å; D287-A291 PolarHBondContact O-N 3.42Å
288E85.8Confident83.3Confident150 Ų15077.6 Ų77.670%0.70136%0.356SS*.Hα-helixtrans-68.8-29.4-177.5-67.7-64.7160.600112.8V292E288-V292 WeakPolarHBondContact O-CG2 3.48Å; E288-V292 PolarHBondContact O-N 2.93Å
289E86.4Confident83.5Confident149 Ų14977.6 Ų77.670%0.69636%0.356SS*.Hα-helixtrans-73.9-49.9-179.2-175.5171.3-174.800110.4D287 A291 V292 E293D287-E289 VanDerWaalsContact C-N 3.31Å; D287-E289 PolarHBondContact O-N 3.14Å; D287-E289 PolarHBondContact OD1-N 3.21Å; E289-A291 VanDerWaalsContact C-N 3.28Å; E289-A291 PolarHBondContact O-N 2.97Å; E289-V292 WeakPolarHBondContact O-CB 3.17Å; E289-V292 PolarHBondContact O-N 2.88Å; E289-V292 VanDerWaalsContact O-N 3.13Å; E289-E293 PolarHBondContact O-N 3.32Å
290E85.5Confident84.1Confident82 Ų8272.6 Ų72.638%0.38333%0.334SS..Hα-helixtrans-59.6-39172.7-69.1-179.5154.400111V286 D287 V292 E293 Y294V286-E290 HydrophobicContact CG1-CB 3.29Å; V286-E290 HydrophobicContact CG1-CG 4.43Å; V286-E290 WeakPolarHBondContact CG1-OE2 3.32Å; D287-E290 WeakPolarHBondContact OD1-CB 3.4Å; D287-E290 WeakPolarHBondContact OD1-CG 3.36Å; D287-E290 PolarHBondContact OD1-N 3.24Å; E290-V292 VanDerWaalsContact C-N 3.28Å; E290-V292 PolarHBondContact O-N 3.3Å; E290-E293 WeakPolarHBondContact O-CB 3.5Å; E290-E293 PolarHBondContact O-N 3.46Å; E290-E293 VanDerWaalsContact O-N 3.09Å; E290-Y294 HydrophobicContact CB-CD2 4.4Å; E290-Y294 HydrophobicContact CB-CE2 4.07Å; E290-Y294 WeakPolarHBondContact O-CD2 3.47Å; E290-Y294 PolarHBondContact O-N 3.24Å
291A88.9Confident85.2Confident9 Ų969 Ų697%0.07432%0.315CS..Hα-helixtrans-62.7-33.617700000112.6V286 D287 E289 R295V286-A291 HydrophobicContact CG1-CB 4.21Å; D287-A291 WeakPolarHBondContact O-CB 3.42Å; D287-A291 PolarHBondContact O-N 3.42Å; E289-A291 VanDerWaalsContact C-N 3.28Å; E289-A291 PolarHBondContact O-N 2.97Å; A291-R295 WeakPolarHBondContact O-CB 3.24Å; A291-R295 WeakPolarHBondContact O-CG 3.48Å; A291-R295 PolarHBondContact O-N 3.18Å
292V90.8Very high86.3Confident94 Ų9468.8 Ų68.857%0.5731%0.312SS*.Hα-helixtrans-65-42.7172.5170.50000110.5E288 E289 E290 R295 Y296E288-V292 WeakPolarHBondContact O-CG2 3.48Å; E288-V292 PolarHBondContact O-N 2.93Å; E289-V292 WeakPolarHBondContact O-CB 3.17Å; E289-V292 PolarHBondContact O-N 2.88Å; E289-V292 VanDerWaalsContact O-N 3.13Å; E290-V292 VanDerWaalsContact C-N 3.28Å; E290-V292 PolarHBondContact O-N 3.3Å; V292-R295 PolarHBondContact O-N 2.91Å; V292-Y296 WeakPolarHBondContact O-CB 3.38Å; V292-Y296 PolarHBondContact O-N 3.4Å
293E90.3Very high87.6Confident50 Ų5066.3 Ų66.323%0.23430%0.298CS..Hα-helixtrans-64-41.1176.6-60.8-162.6158.700112.4I222 E289 E290 Y296 L297I222-E293 HydrophobicContact CG2-CB 4.34Å; E289-E293 PolarHBondContact O-N 3.32Å; E290-E293 WeakPolarHBondContact O-CB 3.5Å; E290-E293 PolarHBondContact O-N 3.46Å; E290-E293 VanDerWaalsContact O-N 3.09Å; E293-Y296 WeakPolarHBondContact O-CB 3.45Å; E293-Y296 PolarHBondContact O-N 3.07Å; E293-L297 WeakPolarHBondContact O-CB 3.45Å; E293-L297 PolarHBondContact O-N 3.2Å
294Y91.9Very high88.9Confident13 Ų1356 Ų565%0.05126%0.259CS..Hα-helixtrans-69-35.7176.4-69.7-60.1000113.1I222 T278 T281 V286 E290 L297 G298 L329 P330I222-Y294 HydrophobicContact CD1-CD1 4.37Å; I222-Y294 HydrophobicContact CD1-CE1 3.52Å; T278-Y294 HydrophobicContact CG2-CE1 4.19Å; T281-Y294 HydrophobicContact CG2-CE1 4.36Å; T281-Y294 WeakPolarHBondContact CG2-OH 3.24Å; V286-Y294 HydrophobicContact CG1-CD2 3.68Å; V286-Y294 HydrophobicContact CG1-CE2 3.62Å; V286-Y294 HydrophobicContact CG2-CD2 4.48Å; V286-Y294 HydrophobicContact CG2-CE2 4.02Å; E290-Y294 HydrophobicContact CB-CD2 4.4Å; E290-Y294 HydrophobicContact CB-CE2 4.07Å; E290-Y294 WeakPolarHBondContact O-CD2 3.47Å; E290-Y294 PolarHBondContact O-N 3.24Å; Y294-L297 PolarHBondContact O-N 3.44Å; Y294-G298 PolarHBondContact O-N 3.12Å; Y294-L329 HydrophobicContact CD1-CD2 3.73Å; Y294-L329 HydrophobicContact CG-CD2 4.48Å; Y294-P330 HydrophobicContact CD2-CG 3.56Å; Y294-P330 HydrophobicContact CE2-CG 3.87Å; Y294-P330 HydrophobicContact CG-CG 3.92Å
295R92.5Very high89.9Confident54 Ų5448.6 Ų48.620%0.20423%0.231CC..Hα-helixtrans-65.8-41.4172.4-75.7-174.4-173.7102.9-4.8111.3L241 A291 V292 L297 G298 A299 C333 D335L241-R295 HydrophobicContact CD1-CB 4.01Å; L241-R295 HydrophobicContact CD2-CB 4.03Å; A291-R295 WeakPolarHBondContact O-CB 3.24Å; A291-R295 WeakPolarHBondContact O-CG 3.48Å; A291-R295 PolarHBondContact O-N 3.18Å; V292-R295 PolarHBondContact O-N 2.91Å; R295-L297 VanDerWaalsContact C-N 3.35Å; R295-L297 PolarHBondContact O-N 2.9Å; R295-G298 PolarHBondContact O-N 3.5Å; R295-A299 PolarHBondContact O-N 3.4Å; R295-C333 HydrophobicContact CG-CB 3.85Å; R295-D335 IonicContact CZ-OD2 3.02Å; R295-D335 IonicContact NE-OD1 2.64Å; R295-D335 PolarHBondContact NE-OD1 3.36Å; R295-D335 IonicContact NE-OD2 2.71Å; R295-D335 PolarHBondContact NE-OD2 3.09Å; R295-D335 IonicContact NH2-OD2 3.73Å
296Y93.1Very high90.8Very high61 Ų6140.1 Ų40.124%0.23920%0.195CC..Hα-helixtrans-56.5-50.3173.2-178.2-96.6000111.2E230 W237 V292 E293 G298 A299 L300E230-Y296 PolarHBondContact OE1-OH 2.95Å; E230-Y296 PolarHBondContact OE2-OH 3.5Å; W237-Y296 HydrophobicContact CD2-CE2 4.28Å; W237-Y296 AromaticContact CE2-CE2 3.45Å; W237-Y296 VanDerWaalsContact CE2-CE2 3.45Å; W237-Y296 AromaticContact CE2-CZ 3.85Å; W237-Y296 AromaticContact CH2-CD2 3.61Å; W237-Y296 HydrophobicContact CH2-CD2 3.61Å; W237-Y296 AromaticContact CH2-CE2 3.47Å; W237-Y296 HydrophobicContact CH2-CE2 3.47Å; W237-Y296 VanDerWaalsContact CH2-CE2 3.47Å; W237-Y296 HydrophobicContact CH2-CG 4.29Å; W237-Y296 AromaticContact CZ2-CD2 3.69Å; W237-Y296 HydrophobicContact CZ2-CD2 3.69Å; W237-Y296 HydrophobicContact CZ2-CE1 4.14Å; W237-Y296 AromaticContact CZ2-CE2 3.01Å; W237-Y296 HydrophobicContact CZ2-CE2 3.01Å; W237-Y296 HydrophobicContact CZ2-CG 4.47Å; W237-Y296 AromaticContact CZ2-CZ 3.27Å; W237-Y296 WeakPolarHBondContact CZ2-OH 3.43Å; W237-Y296 HydrophobicContact CZ3-CD2 4.28Å; W237-Y296 HydrophobicContact CZ3-CE2 4.27Å; W237-Y296 AromaticContact NE1-CE2 3.93Å; W237-Y296 PolarHBondContact NE1-OH 3.19Å; V292-Y296 WeakPolarHBondContact O-CB 3.38Å; V292-Y296 PolarHBondContact O-N 3.4Å; E293-Y296 WeakPolarHBondContact O-CB 3.45Å; E293-Y296 PolarHBondContact O-N 3.07Å; Y296-G298 PolarHBondContact O-N 3.46Å; Y296-A299 PolarHBondContact O-N 3.31Å; Y296-L300 HydrophobicContact CD1-CD1 4.14Å; Y296-L300 HydrophobicContact CE1-CD1 3.76Å; Y296-L300 HydrophobicContact CE1-CG 4.38Å; Y296-L300 PolarHBondContact O-N 3.08Å
297L94.4Very high91.2Very high1 Ų138.4 Ų38.41%0.00519%0.185CC..Hα-helixtrans-60.2-44.3175.3177.857.2000111.7I222 L274 E293 Y294 R295 A299 L300 L301 L325 L329I222-L297 HydrophobicContact CG2-CD2 4.25Å; L274-L297 HydrophobicContact CD1-CD1 3.87Å; L274-L297 HydrophobicContact CD2-CD2 4.3Å; E293-L297 WeakPolarHBondContact O-CB 3.45Å; E293-L297 PolarHBondContact O-N 3.2Å; Y294-L297 PolarHBondContact O-N 3.44Å; R295-L297 VanDerWaalsContact C-N 3.35Å; R295-L297 PolarHBondContact O-N 2.9Å; L297-A299 VanDerWaalsContact C-N 3.28Å; L297-A299 PolarHBondContact O-N 2.9Å; L297-L300 WeakPolarHBondContact O-CB 3.41Å; L297-L300 PolarHBondContact O-N 3.37Å; L297-L300 VanDerWaalsContact O-N 3.08Å; L297-L301 HydrophobicContact CD1-CD1 4.32Å; L297-L301 HydrophobicContact CD1-CD2 4.41Å; L297-L301 HydrophobicContact CD1-CG 4.17Å; L297-L301 HydrophobicContact CG-CD1 4.06Å; L297-L301 HydrophobicContact CG-CG 4.36Å; L297-L301 WeakPolarHBondContact O-CG 3.43Å; L297-L301 PolarHBondContact O-N 3.48Å; L297-L325 HydrophobicContact CD1-CD2 4.42Å; L297-L325 HydrophobicContact CD2-CD2 4.47Å; L297-L329 HydrophobicContact CD2-CD2 3.86Å; L297-L329 HydrophobicContact CG-CD2 4.31Å
298G94Very high91.5Very high0 Ų040.8 Ų40.80%019%0.188CC..Hα-helixtrans-59.8-35.1177.900000113.5Y294 R295 Y296 L301 R302Y294-G298 PolarHBondContact O-N 3.12Å; R295-G298 PolarHBondContact O-N 3.5Å; Y296-G298 PolarHBondContact O-N 3.46Å; G298-L301 PolarHBondContact O-N 3.26Å; G298-R302 WeakPolarHBondContact O-CB 3.5Å; G298-R302 PolarHBondContact O-N 3.28Å
299A93.5Very high91.7Very high0 Ų033.7 Ų33.70%016%0.155CC..Hα-helixtrans-65.9-40.7172.900000112.4W237 L241 T243 R295 Y296 L297 L301 R302 H303 V336W237-A299 HydrophobicContact CH2-CB 3.78Å; W237-A299 HydrophobicContact CZ3-CB 3.62Å; L241-A299 HydrophobicContact CB-CB 4.42Å; L241-A299 HydrophobicContact CD2-CB 4.41Å; L241-A299 WeakPolarHBondContact O-CB 3.19Å; T243-A299 HydrophobicContact CG2-CB 4.16Å; R295-A299 PolarHBondContact O-N 3.4Å; Y296-A299 PolarHBondContact O-N 3.31Å; L297-A299 VanDerWaalsContact C-N 3.28Å; L297-A299 PolarHBondContact O-N 2.9Å; A299-L301 VanDerWaalsContact C-N 3.34Å; A299-L301 PolarHBondContact O-N 3.1Å; A299-R302 WeakPolarHBondContact O-CB 3.35Å; A299-R302 PolarHBondContact O-N 2.99Å; A299-H303 PolarHBondContact O-N 3.47Å; A299-V336 HydrophobicContact CB-CG2 3.76Å
300L94.5Very high91.8Very high0 Ų030.3 Ų30.30%014%0.141CC..Hα-helixtrans-61.6-42.4173-63.7174.9000111.5G226 L229 E230 L235 W237 T243 Y296 L297 H303 C304G226-L300 WeakPolarHBondContact O-CD1 3.24Å; L229-L300 HydrophobicContact CD2-CB 4.2Å; L229-L300 HydrophobicContact CD2-CD1 4.48Å; E230-L300 HydrophobicContact CB-CD2 4.07Å; E230-L300 HydrophobicContact CG-CD2 4.43Å; L235-L300 HydrophobicContact CD1-CD2 3.54Å; W237-L300 HydrophobicContact CH2-CD2 4.1Å; W237-L300 HydrophobicContact CH2-CG 4.24Å; W237-L300 HydrophobicContact CZ2-CD2 3.69Å; W237-L300 HydrophobicContact CZ2-CG 4.18Å; T243-L300 HydrophobicContact CG2-CD2 4.49Å; Y296-L300 HydrophobicContact CD1-CD1 4.14Å; Y296-L300 HydrophobicContact CE1-CD1 3.76Å; Y296-L300 HydrophobicContact CE1-CG 4.38Å; Y296-L300 PolarHBondContact O-N 3.08Å; L297-L300 WeakPolarHBondContact O-CB 3.41Å; L297-L300 PolarHBondContact O-N 3.37Å; L297-L300 VanDerWaalsContact O-N 3.08Å; L300-H303 WeakPolarHBondContact O-CB 3.46Å; L300-H303 PolarHBondContact O-N 3.46Å; L300-C304 PolarHBondContact O-N 2.93Å; L300-C304 PolarHBondContact O-SG 3Å
301L95.6Very high92Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-69.1-35.1179.6-62.3174.9000112.5L271 L297 G298 A299 H303 C304 L305 T322 L325 L326 L329L271-L301 HydrophobicContact CD2-CD2 3.37Å; L297-L301 HydrophobicContact CD1-CD1 4.32Å; L297-L301 HydrophobicContact CD1-CD2 4.41Å; L297-L301 HydrophobicContact CD1-CG 4.17Å; L297-L301 HydrophobicContact CG-CD1 4.06Å; L297-L301 HydrophobicContact CG-CG 4.36Å; L297-L301 WeakPolarHBondContact O-CG 3.43Å; L297-L301 PolarHBondContact O-N 3.48Å; G298-L301 PolarHBondContact O-N 3.26Å; A299-L301 VanDerWaalsContact C-N 3.34Å; A299-L301 PolarHBondContact O-N 3.1Å; L301-H303 VanDerWaalsContact C-N 3.28Å; L301-H303 PolarHBondContact O-N 2.74Å; L301-C304 WeakPolarHBondContact O-CB 3.36Å; L301-C304 PolarHBondContact O-N 3.47Å; L301-L305 PolarHBondContact O-N 2.82Å; L301-T322 HydrophobicContact CB-CG2 3.98Å; L301-T322 HydrophobicContact CD2-CG2 4.11Å; L301-T322 VanDerWaalsContact O-CG2 3.28Å; L301-T322 WeakPolarHBondContact O-CG2 3.3Å; L301-L325 HydrophobicContact CD1-CB 4.21Å; L301-L325 HydrophobicContact CD1-CD2 3.91Å; L301-L325 HydrophobicContact CD1-CG 3.7Å; L301-L325 HydrophobicContact CD2-CB 4.49Å; L301-L325 HydrophobicContact CD2-CD2 3.64Å; L301-L325 HydrophobicContact CD2-CG 4.25Å; L301-L325 HydrophobicContact CG-CD2 4.36Å; L301-L326 HydrophobicContact CB-CD1 4.47Å; L301-L326 HydrophobicContact CB-CD2 3.72Å; L301-L326 HydrophobicContact CB-CG 3.95Å; L301-L326 HydrophobicContact CD1-CD2 3.78Å; L301-L326 HydrophobicContact CD1-CG 3.94Å; L301-L326 HydrophobicContact CG-CD2 4.42Å; L301-L329 HydrophobicContact CD1-CD1 4.07Å
302R93.4Very high91.9Very high13 Ų1333.8 Ų33.85%0.04917%0.166CC..Hα-helixtrans-56.8-45.3170.3-171.4-175.364.2-134.6-13.9110.5L241 G298 A299 L305 M306 V336 L337 A356L241-R302 PolarHBondContact O-NH1 2.98Å; L241-R302 PolarHBondContact O-NH2 3.22Å; G298-R302 WeakPolarHBondContact O-CB 3.5Å; G298-R302 PolarHBondContact O-N 3.28Å; A299-R302 WeakPolarHBondContact O-CB 3.35Å; A299-R302 PolarHBondContact O-N 2.99Å; R302-L305 PolarHBondContact O-N 2.93Å; R302-M306 WeakPolarHBondContact O-CG 3.42Å; R302-M306 PolarHBondContact O-N 3.21Å; R302-M306 VanDerWaalsContact O-N 3.09Å; R302-V336 PolarHBondContact NH1-O 3.45Å; R302-L337 HydrophobicContact CB-CD2 4.01Å; R302-L337 HydrophobicContact CG-CD2 4.22Å; R302-A356 HydrophobicContact CG-CB 4.09Å
303H91.9Very high91.9Very high11 Ų1137 Ų375%0.05118%0.175CC..Hα-helixtrans-64.5-38.7175.5-171.973.3000113.4L235 R245 A299 L300 L301 L305 M306 S307L235-H303 HydrophobicContact CD1-CB 4.48Å; L235-H303 WeakPolarHBondContact CD2-CD2 3.18Å; L235-H303 WeakPolarHBondContact CD2-NE2 3.23Å; R245-H303 PolarHBondContact NE-NE2 3.27Å; A299-H303 PolarHBondContact O-N 3.47Å; L300-H303 WeakPolarHBondContact O-CB 3.46Å; L300-H303 PolarHBondContact O-N 3.46Å; L301-H303 VanDerWaalsContact C-N 3.28Å; L301-H303 PolarHBondContact O-N 2.74Å; H303-L305 VanDerWaalsContact C-N 3.31Å; H303-L305 PolarHBondContact O-N 2.89Å; H303-M306 PolarHBondContact O-N 3.44Å; H303-S307 PolarHBondContact NE2-OG 3.45Å; H303-S307 WeakPolarHBondContact O-CB 3.45Å; H303-S307 PolarHBondContact O-N 3.39Å; H303-S307 PolarHBondContact O-OG 3.06Å
304C93.9Very high91.9Very high0 Ų038.3 Ų38.30%018%0.177CC..Hα-helixtrans-60.2-43174.5-64.20000111.2L233 L300 L301 M306 S307 F318 T322L233-C304 VanDerWaalsContact CD1-SG 3.57Å; L300-C304 PolarHBondContact O-N 2.93Å; L300-C304 PolarHBondContact O-SG 3Å; L301-C304 WeakPolarHBondContact O-CB 3.36Å; L301-C304 PolarHBondContact O-N 3.47Å; C304-M306 VanDerWaalsContact C-N 3.34Å; C304-M306 PolarHBondContact O-N 3.27Å; C304-S307 PolarHBondContact O-N 2.76Å; C304-F318 HydrophobicContact CB-CE1 3.86Å; C304-F318 HydrophobicContact CB-CE2 4.44Å; C304-F318 HydrophobicContact CB-CZ 3.59Å; C304-F318 VanDerWaalsContact O-CE1 3.31Å; C304-F318 WeakPolarHBondContact O-CE1 3.24Å; C304-T322 HydrophobicContact CB-CG2 3.73Å; C304-T322 WeakPolarHBondContact CB-OG1 3.07Å
305L93Very high91.9Very high0 Ų038.7 Ų38.70%018%0.181CC..Hα-helixtrans-64.6-37.3177.9-173.669.6000112.4L301 R302 H303 S307 H319 T322 V323 A356 M359 L360L301-L305 PolarHBondContact O-N 2.82Å; R302-L305 PolarHBondContact O-N 2.93Å; H303-L305 VanDerWaalsContact C-N 3.31Å; H303-L305 PolarHBondContact O-N 2.89Å; L305-S307 VanDerWaalsContact C-N 3.3Å; L305-H319 PolarHBondContact O-CE1 3.48Å; L305-H319 PolarHBondContact O-NE2 2.84Å; L305-H319 VanDerWaalsContact O-NE2 3.11Å; L305-T322 HydrophobicContact CB-CG2 4.36Å; L305-V323 HydrophobicContact CD1-CG2 4.38Å; L305-A356 WeakPolarHBondContact CD2-O 3.38Å; L305-M359 HydrophobicContact CD2-CB 4.16Å; L305-M359 HydrophobicContact CG-CB 4.19Å; L305-L360 HydrophobicContact CD1-CD2 3.94Å; L305-L360 HydrophobicContact CD2-CD2 3.69Å; L305-L360 HydrophobicContact CD2-CG 3.66Å; L305-L360 HydrophobicContact CG-CD2 4.49Å
306M90.4Very high91.9Very high32 Ų3236.8 Ų36.816%0.15818%0.175CC..Hα-helixtrans-78.4-13.6177.2-62.2-55.7101.700113.3P253 R302 H303 C304 D355 A356 M359P253-M306 HydrophobicContact CB-CB 4.11Å; P253-M306 HydrophobicContact CG-CB 4.36Å; R302-M306 WeakPolarHBondContact O-CG 3.42Å; R302-M306 PolarHBondContact O-N 3.21Å; R302-M306 VanDerWaalsContact O-N 3.09Å; H303-M306 PolarHBondContact O-N 3.44Å; C304-M306 VanDerWaalsContact C-N 3.34Å; C304-M306 PolarHBondContact O-N 3.27Å; M306-D355 HydrophobicContact SD-CB 4.39Å; M306-A356 HydrophobicContact CE-CB 4.26Å; M306-M359 HydrophobicContact CE-CB 3.57Å; M306-M359 HydrophobicContact CE-CG 3.44Å; M306-M359 VanDerWaalsContact CE-CG 3.44Å; M306-M359 HydrophobicContact SD-CG 3.97Å
307S90.9Very high91.9Very high2 Ų238 Ų381%0.01418%0.182CC..  trans-86.1149.1-176.5-72.20000112.6R245 H303 C304 L305 H319R245-S307 PolarHBondContact NH2-OG 3.09Å; H303-S307 PolarHBondContact NE2-OG 3.45Å; H303-S307 WeakPolarHBondContact O-CB 3.45Å; H303-S307 PolarHBondContact O-N 3.39Å; H303-S307 PolarHBondContact O-OG 3.06Å; C304-S307 PolarHBondContact O-N 2.76Å; L305-S307 VanDerWaalsContact C-N 3.3Å; S307-H319 PolarHBondContact O-NE2 3.28Å
308R90.9Very high91.9Very high136 Ų13637.9 Ų37.951%0.51318%0.182SC..  trans-108.7137.8173.7-60.3-179.2-175.9-173.62.5110.5Q258 L259Q258-R308 WeakPolarHBondContact CA-O 3.06Å; Q258-R308 HydrophobicContact CG-CB 4.33Å; L259-R308 PolarHBondContact N-O 3.23Å
309A90.7Very high91.9Very high1 Ų138.6 Ų38.61%0.00819%0.185CC..BIsolated β-bridgetrans-98.2169.9174.100000111.1T264 G311 R314 T315T264-A309 HydrophobicContact CG2-CB 3.81Å; A309-G311 PolarHBondContact O-N 2.63Å; A309-R314 HydrophobicContact CB-CB 4.27Å; A309-T315 PolarHBondContact N-OG1 2.79Å; A309-T315 PolarHBondContact O-OG1 2.72Å
310D88.4Confident92Very high77 Ų7739.9 Ų39.941%0.41219%0.194SC..SBendtrans-65.797.5172.5176.433.7000110.7L259 R314L259-D310 PolarHBondContact O-N 3.33Å; D310-R314 WeakPolarHBondContact O-CD 3.29Å; D310-R314 PolarHBondContact O-NH1 2.72Å; D310-R314 IonicContact OD2-CZ 3.43Å; D310-R314 IonicContact OD2-NH1 2.88Å; D310-R314 PolarHBondContact OD2-NH1 2.8Å
311G88.2Confident92Very high37 Ų3741.9 Ų41.938%0.38120%0.203SC..SBendtrans99.8151-179.600000114.7A309 T315A309-G311 PolarHBondContact O-N 2.63Å; G311-T315 WeakPolarHBondContact O-CB 3.16Å; G311-T315 PolarHBondContact O-N 2.82Å; G311-T315 PolarHBondContact O-OG1 2.99Å
312E88.1Confident92.1Very high127 Ų12741.9 Ų41.959%0.59320%0.203SC*.Hα-helixtrans-66.6-40.5-178.3-170.2-176.6168.100112.5T315 E316 K366 R370E312-T315 PolarHBondContact O-N 3.36Å; E312-E316 WeakPolarHBondContact O-CB 3.22Å; E312-E316 PolarHBondContact O-N 2.64Å; E312-K366 WeakPolarHBondContact OE1-CE 3.43Å; E312-K366 IonicContact OE1-NZ 3.85Å; E312-K366 PolarHBondContact OE1-NZ 3.5Å; E312-R370 IonicContact OE1-NH2 2.63Å
313E89.6Confident92.1Very high163 Ų16341.3 Ų41.376%0.76220%0.202SC*.Hα-helixtrans-63.7-47.5179.9-173.6-180-173.800111.9E316 E317E313-E316 PolarHBondContact O-N 3.37Å; E313-E317 PolarHBondContact O-N 3.05Å
314R90.9Very high92.2Very high76 Ų7642.7 Ų42.729%0.28721%0.209SC..Hα-helixtrans-67.9-36.3177.3-64.3-168.9-157132.80.8112.3A309 D310 E316 E317 F318A309-R314 HydrophobicContact CB-CB 4.27Å; D310-R314 WeakPolarHBondContact O-CD 3.29Å; D310-R314 PolarHBondContact O-NH1 2.72Å; D310-R314 IonicContact OD2-CZ 3.43Å; D310-R314 IonicContact OD2-NH1 2.88Å; D310-R314 PolarHBondContact OD2-NH1 2.8Å; R314-E316 VanDerWaalsContact C-N 3.26Å; R314-E316 PolarHBondContact O-N 2.95Å; R314-E317 PolarHBondContact O-N 3.14Å; R314-F318 VanDerWaalsContact O-CB 3.26Å; R314-F318 WeakPolarHBondContact O-CB 3.3Å; R314-F318 PolarHBondContact O-N 3.38Å
315T92.6Very high92.2Very high22 Ų2242.7 Ų42.714%0.13521%0.209CC..Hα-helixtrans-59.4-43.8174.4-62.70000110.1A309 G311 E312 F318 H319A309-T315 PolarHBondContact N-OG1 2.79Å; A309-T315 PolarHBondContact O-OG1 2.72Å; G311-T315 WeakPolarHBondContact O-CB 3.16Å; G311-T315 PolarHBondContact O-N 2.82Å; G311-T315 PolarHBondContact O-OG1 2.99Å; E312-T315 PolarHBondContact O-N 3.36Å; T315-F318 PolarHBondContact O-N 2.91Å; T315-H319 VanDerWaalsContact CG2-CE1 3.46Å; T315-H319 WeakPolarHBondContact CG2-CE1 3.44Å; T315-H319 WeakPolarHBondContact O-CB 3.48Å; T315-H319 PolarHBondContact O-N 3.08Å
316E91.6Very high92.2Very high13 Ų1342.7 Ų42.76%0.06121%0.209CC..Hα-helixtrans-70.2-37.5178.4-174.3-178.1159.100113.6E312 E313 R314 S320 F363 K366 K367 R370E312-E316 WeakPolarHBondContact O-CB 3.22Å; E312-E316 PolarHBondContact O-N 2.64Å; E313-E316 PolarHBondContact O-N 3.37Å; R314-E316 VanDerWaalsContact C-N 3.26Å; R314-E316 PolarHBondContact O-N 2.95Å; E316-S320 VanDerWaalsContact O-CB 3.3Å; E316-S320 WeakPolarHBondContact O-CB 3.31Å; E316-S320 PolarHBondContact O-N 3.48Å; E316-F363 HydrophobicContact CG-CE2 3.98Å; E316-K366 IonicContact OE2-NZ 2.88Å; E316-K367 VanDerWaalsContact CG-NZ 3.32Å; E316-K367 WeakPolarHBondContact OE1-CD 3.41Å; E316-K367 VanDerWaalsContact OE1-CE 3.26Å; E316-K367 WeakPolarHBondContact OE1-CE 3.41Å; E316-K367 IonicContact OE1-NZ 3.32Å; E316-K367 PolarHBondContact OE1-NZ 3.42Å; E316-R370 IonicContact OE1-CZ 3.01Å; E316-R370 IonicContact OE1-NE 2.84Å; E316-R370 IonicContact OE1-NH1 3.09Å; E316-R370 PolarHBondContact OE1-NH1 2.86Å; E316-R370 IonicContact OE2-CZ 3.47Å; E316-R370 IonicContact OE2-NE 2.84Å; E316-R370 IonicContact OE2-NH1 2.72Å; E316-R370 PolarHBondContact OE2-NH1 3.44Å; E316-R370 IonicContact OE2-NH2 3.99Å; E316-R370 PolarHBondContact OE2-NH2 3.47Å
317E92.9Very high92.3Very high86 Ų8642.5 Ų42.540%0.40222%0.216SC..Hα-helixtrans-60.1-47.1171.2-175-175.4-17900110.7I268 E313 R314 S320 H321I268-E317 HydrophobicContact CD1-CG 4.19Å; E313-E317 PolarHBondContact O-N 3.05Å; R314-E317 PolarHBondContact O-N 3.14Å; E317-S320 WeakPolarHBondContact O-CB 3.47Å; E317-S320 PolarHBondContact O-N 3.29Å; E317-H321 PolarHBondContact O-CD2 2.77Å; E317-H321 VanDerWaalsContact O-CD2 3.29Å; E317-H321 PolarHBondContact O-N 3.05Å
318F94.9Very high92.3Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-61.1-46.3178.2-178.3-123.4000112.3L259 T264 A267 I268 L271 C304 R314 T315 S320 H321 T322L259-F318 HydrophobicContact CD1-CE1 3.88Å; L259-F318 HydrophobicContact CD1-CZ 4.18Å; T264-F318 HydrophobicContact CG2-CB 4.35Å; T264-F318 HydrophobicContact CG2-CG 4.49Å; A267-F318 HydrophobicContact CB-CE2 3.71Å; A267-F318 HydrophobicContact CB-CZ 4.34Å; I268-F318 HydrophobicContact CD1-CB 4.34Å; I268-F318 HydrophobicContact CG1-CB 4.38Å; I268-F318 HydrophobicContact CG1-CD2 3.8Å; L271-F318 HydrophobicContact CD1-CD2 3.88Å; L271-F318 HydrophobicContact CD1-CE2 3.6Å; C304-F318 HydrophobicContact CB-CE1 3.86Å; C304-F318 HydrophobicContact CB-CE2 4.44Å; C304-F318 HydrophobicContact CB-CZ 3.59Å; C304-F318 VanDerWaalsContact O-CE1 3.31Å; C304-F318 WeakPolarHBondContact O-CE1 3.24Å; R314-F318 VanDerWaalsContact O-CB 3.26Å; R314-F318 WeakPolarHBondContact O-CB 3.3Å; R314-F318 PolarHBondContact O-N 3.38Å; T315-F318 PolarHBondContact O-N 2.91Å; F318-S320 VanDerWaalsContact C-N 3.33Å; F318-S320 PolarHBondContact O-N 3.15Å; F318-H321 PolarHBondContact O-N 3.5Å; F318-T322 PolarHBondContact O-N 3.07Å; F318-T322 PolarHBondContact O-OG1 3.48Å
319H94.9Very high92.3Very high15 Ų1536.5 Ų36.57%0.06919%0.194CC..Hα-helixtrans-63.1-38.7173.8-68.2172.9000111.8L305 S307 T315 H321 T322 V323 F363L305-H319 PolarHBondContact O-CE1 3.48Å; L305-H319 PolarHBondContact O-NE2 2.84Å; L305-H319 VanDerWaalsContact O-NE2 3.11Å; S307-H319 PolarHBondContact O-NE2 3.28Å; T315-H319 VanDerWaalsContact CG2-CE1 3.46Å; T315-H319 WeakPolarHBondContact CG2-CE1 3.44Å; T315-H319 WeakPolarHBondContact O-CB 3.48Å; T315-H319 PolarHBondContact O-N 3.08Å; H319-H321 PolarHBondContact O-N 3.26Å; H319-T322 WeakPolarHBondContact O-CB 3.33Å; H319-T322 PolarHBondContact O-N 3.38Å; H319-V323 VanDerWaalsContact O-CG2 3.32Å; H319-V323 WeakPolarHBondContact O-CG2 3.48Å; H319-V323 PolarHBondContact O-N 3.41Å; H319-F363 HydrophobicContact CB-CD2 3.83Å; H319-F363 HydrophobicContact CB-CE2 3.58Å; H319-F363 HydrophobicContact CB-CZ 4.34Å
320S94.2Very high92.2Very high26 Ų2636.9 Ų36.918%0.18220%0.196CC..Hα-helixtrans-60-45.1177.3-164.50000112.2E316 E317 F318 T322 V323 N324E316-S320 VanDerWaalsContact O-CB 3.3Å; E316-S320 WeakPolarHBondContact O-CB 3.31Å; E316-S320 PolarHBondContact O-N 3.48Å; E317-S320 WeakPolarHBondContact O-CB 3.47Å; E317-S320 PolarHBondContact O-N 3.29Å; F318-S320 VanDerWaalsContact C-N 3.33Å; F318-S320 PolarHBondContact O-N 3.15Å; S320-T322 VanDerWaalsContact C-N 3.34Å; S320-V323 PolarHBondContact O-N 3.42Å; S320-N324 WeakPolarHBondContact O-CB 3.41Å; S320-N324 PolarHBondContact O-N 3.39Å; S320-N324 PolarHBondContact O-ND2 2.94Å; S320-N324 PolarHBondContact O-OD1 2.85Å
321H95.5Very high92.1Very high42 Ų4236 Ų3619%0.19419%0.191CC..Hα-helixtrans-66.9-36.8175.9-74.3-60.8000112.4L271 K272 E317 F318 H319 L325L271-H321 HydrophobicContact CB-CB 4.08Å; L271-H321 HydrophobicContact CD1-CB 4Å; K272-H321 VanDerWaalsContact CE-CE1 3.47Å; K272-H321 WeakPolarHBondContact CE-CE1 3.41Å; K272-H321 WeakPolarHBondContact CE-NE2 3.45Å; E317-H321 PolarHBondContact O-CD2 2.77Å; E317-H321 VanDerWaalsContact O-CD2 3.29Å; E317-H321 PolarHBondContact O-N 3.05Å; F318-H321 PolarHBondContact O-N 3.5Å; H319-H321 PolarHBondContact O-N 3.26Å; H321-L325 PolarHBondContact O-N 3.18Å; H321-L325 VanDerWaalsContact O-N 3.14Å
322T96.3Very high92Very high0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-62.8-47.1175.7-56.40000111.5L301 C304 L305 F318 H319 S320 L325 L326L301-T322 HydrophobicContact CB-CG2 3.98Å; L301-T322 HydrophobicContact CD2-CG2 4.11Å; L301-T322 VanDerWaalsContact O-CG2 3.28Å; L301-T322 WeakPolarHBondContact O-CG2 3.3Å; C304-T322 HydrophobicContact CB-CG2 3.73Å; C304-T322 WeakPolarHBondContact CB-OG1 3.07Å; L305-T322 HydrophobicContact CB-CG2 4.36Å; F318-T322 PolarHBondContact O-N 3.07Å; F318-T322 PolarHBondContact O-OG1 3.48Å; H319-T322 WeakPolarHBondContact O-CB 3.33Å; H319-T322 PolarHBondContact O-N 3.38Å; S320-T322 VanDerWaalsContact C-N 3.34Å; T322-L325 PolarHBondContact O-N 3.05Å; T322-L326 HydrophobicContact CG2-CD1 4.32Å; T322-L326 WeakPolarHBondContact O-CG 3.36Å; T322-L326 PolarHBondContact O-N 3.29Å
323V94.6Very high92Very high2 Ų232.1 Ų32.11%0.01217%0.17CC..Hα-helixtrans-64.7-42.4178.9172.30000111.6L305 H319 S320 L325 L326 G327 L360 F363 P380 L384L305-V323 HydrophobicContact CD1-CG2 4.38Å; H319-V323 VanDerWaalsContact O-CG2 3.32Å; H319-V323 WeakPolarHBondContact O-CG2 3.48Å; H319-V323 PolarHBondContact O-N 3.41Å; S320-V323 PolarHBondContact O-N 3.42Å; V323-L325 VanDerWaalsContact C-N 3.28Å; V323-L325 PolarHBondContact O-N 3.44Å; V323-L326 PolarHBondContact O-N 2.9Å; V323-G327 PolarHBondContact O-N 3.4Å; V323-L360 HydrophobicContact CG2-CD2 3.62Å; V323-F363 HydrophobicContact CB-CE1 4.46Å; V323-F363 HydrophobicContact CG2-CD1 4.1Å; V323-F363 HydrophobicContact CG2-CE1 4.05Å; V323-P380 HydrophobicContact CG1-CB 4.26Å; V323-L384 HydrophobicContact CG1-CD2 4.18Å
324N93.2Very high91.9Very high39 Ų3924.5 Ų24.521%0.20913%0.134CC..Hα-helixtrans-58.1-42.2176.2-73.4-11.5000111.6F275 S320 G327 P380F275-N324 HydrophobicContact CD2-CB 3.91Å; F275-N324 HydrophobicContact CE2-CB 3.89Å; S320-N324 WeakPolarHBondContact O-CB 3.41Å; S320-N324 PolarHBondContact O-N 3.39Å; S320-N324 PolarHBondContact O-ND2 2.94Å; S320-N324 PolarHBondContact O-OD1 2.85Å; N324-G327 PolarHBondContact O-N 3.06Å; N324-P380 WeakPolarHBondContact OD1-CB 3.27Å; N324-P380 WeakPolarHBondContact OD1-CG 3.29Å
325L94.6Very high91.8Very high0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-72.4-38.6178.2-17856.4000112.6L271 L274 T278 L297 L301 H321 T322 V323 G327 N328 L329L271-L325 HydrophobicContact CD2-CD2 3.73Å; L274-L325 HydrophobicContact CB-CD1 3.96Å; L274-L325 HydrophobicContact CB-CD2 3.5Å; L274-L325 VanDerWaalsContact CB-CD2 3.5Å; L274-L325 HydrophobicContact CB-CG 4.42Å; L274-L325 HydrophobicContact CD1-CD2 3.9Å; L274-L325 HydrophobicContact CG-CD2 4.32Å; T278-L325 HydrophobicContact CG2-CD1 4.29Å; T278-L325 WeakPolarHBondContact OG1-CD1 3.46Å; L297-L325 HydrophobicContact CD1-CD2 4.42Å; L297-L325 HydrophobicContact CD2-CD2 4.47Å; L301-L325 HydrophobicContact CD1-CB 4.21Å; L301-L325 HydrophobicContact CD1-CD2 3.91Å; L301-L325 HydrophobicContact CD1-CG 3.7Å; L301-L325 HydrophobicContact CD2-CB 4.49Å; L301-L325 HydrophobicContact CD2-CD2 3.64Å; L301-L325 HydrophobicContact CD2-CG 4.25Å; L301-L325 HydrophobicContact CG-CD2 4.36Å; H321-L325 PolarHBondContact O-N 3.18Å; H321-L325 VanDerWaalsContact O-N 3.14Å; T322-L325 PolarHBondContact O-N 3.05Å; V323-L325 VanDerWaalsContact C-N 3.28Å; V323-L325 PolarHBondContact O-N 3.44Å; L325-G327 PolarHBondContact O-N 3.48Å; L325-N328 WeakPolarHBondContact O-CB 3.18Å; L325-N328 PolarHBondContact O-N 2.84Å; L325-L329 PolarHBondContact O-N 3.2Å
326L93.6Very high91.7Very high1 Ų122 Ų221%0.00513%0.126CC..Hα-helixtrans-57.1-37.3172.2-78.3170.5000111.8L301 T322 V323 N328 L329 L337 L360 L384L301-L326 HydrophobicContact CB-CD1 4.47Å; L301-L326 HydrophobicContact CB-CD2 3.72Å; L301-L326 HydrophobicContact CB-CG 3.95Å; L301-L326 HydrophobicContact CD1-CD2 3.78Å; L301-L326 HydrophobicContact CD1-CG 3.94Å; L301-L326 HydrophobicContact CG-CD2 4.42Å; T322-L326 HydrophobicContact CG2-CD1 4.32Å; T322-L326 WeakPolarHBondContact O-CG 3.36Å; T322-L326 PolarHBondContact O-N 3.29Å; V323-L326 PolarHBondContact O-N 2.9Å; L326-N328 PolarHBondContact O-N 3.18Å; L326-L329 HydrophobicContact CD2-CD1 3.99Å; L326-L329 PolarHBondContact O-N 3.47Å; L326-L337 HydrophobicContact CD2-CD2 4.19Å; L326-L360 HydrophobicContact CD1-CD2 4.47Å; L326-L384 HydrophobicContact CB-CD1 4.14Å; L326-L384 HydrophobicContact CB-CD2 3.61Å; L326-L384 HydrophobicContact CD1-CD2 4.11Å
327G91Very high91.6Very high28 Ų2821.5 Ų21.529%0.28912%0.124SC..THydrogen-bonded Turntrans-65.9-17.3175.600000115.1N282 V323 N324 L325N282-G327 PolarHBondContact ND2-O 2.72Å; N282-G327 VanDerWaalsContact ND2-O 3.09Å; V323-G327 PolarHBondContact O-N 3.4Å; N324-G327 PolarHBondContact O-N 3.06Å; L325-G327 PolarHBondContact O-N 3.48Å
328N91.5Very high91.4Very high11 Ų1118.5 Ų18.56%0.05911%0.11CC..THydrogen-bonded Turntrans-90.2-17.8176.6-69.4-3.3000112.8F275 T278 T281 N282 L325 L326F275-N328 WeakPolarHBondContact CD2-ND2 3.32Å; F275-N328 VanDerWaalsContact CE2-ND2 3.33Å; F275-N328 WeakPolarHBondContact CE2-ND2 3.43Å; F275-N328 PolarHBondContact O-ND2 3.48Å; T278-N328 PolarHBondContact OG1-ND2 3.29Å; T281-N328 PolarHBondContact OG1-O 2.9Å; N282-N328 PolarHBondContact N-O 2.88Å; L325-N328 WeakPolarHBondContact O-CB 3.18Å; L325-N328 PolarHBondContact O-N 2.84Å; L326-N328 PolarHBondContact O-N 3.18Å
329L91Very high90.9Very high1 Ų122.6 Ų22.61%0.00513%0.132CC..SBendtrans-66.1148.1-178.8-61.9-172.2000111.1Y294 L297 L301 L325 L326 L331 L334Y294-L329 HydrophobicContact CD1-CD2 3.73Å; Y294-L329 HydrophobicContact CG-CD2 4.48Å; L297-L329 HydrophobicContact CD2-CD2 3.86Å; L297-L329 HydrophobicContact CG-CD2 4.31Å; L301-L329 HydrophobicContact CD1-CD1 4.07Å; L325-L329 PolarHBondContact O-N 3.2Å; L326-L329 HydrophobicContact CD2-CD1 3.99Å; L326-L329 PolarHBondContact O-N 3.47Å; L329-L331 PolarHBondContact O-N 3.43Å; L329-L334 HydrophobicContact CB-CD2 4.28Å
330P89.2Confident90.3Very high9 Ų923.1 Ų23.16%0.05814%0.137CC..  trans-58.7132.6172.2-22.534000110.8V286 Y294 P332 C333V286-P330 HydrophobicContact CB-CG 4.16Å; V286-P330 HydrophobicContact CG1-CG 4.33Å; V286-P330 HydrophobicContact CG2-CB 4.02Å; V286-P330 HydrophobicContact CG2-CG 3.44Å; V286-P330 VanDerWaalsContact CG2-CG 3.44Å; Y294-P330 HydrophobicContact CD2-CG 3.56Å; Y294-P330 HydrophobicContact CE2-CG 3.87Å; Y294-P330 HydrophobicContact CG-CG 3.92Å; P330-P332 VanDerWaalsContact C-CD 3.47Å; P330-C333 WeakPolarHBondContact O-CB 3.28Å; P330-C333 PolarHBondContact O-N 3.18Å
331L85.1Confident89.8Confident57 Ų5728.6 Ų28.630%0.29816%0.157SC..G310 helixtrans-44.7-47.7-178.5-76.3-165.5000114.6L329 C333 L334 E387 I391L329-L331 PolarHBondContact O-N 3.43Å; L331-C333 PolarHBondContact O-N 2.87Å; L331-L334 HydrophobicContact CD2-CD1 4.11Å; L331-L334 WeakPolarHBondContact O-CB 3.39Å; L331-L334 PolarHBondContact O-N 2.97Å; L331-E387 HydrophobicContact CD1-CB 4.4Å; L331-E387 HydrophobicContact CD2-CB 3.57Å; L331-E387 HydrophobicContact CD2-CG 4.32Å; L331-I391 HydrophobicContact CB-CD1 3.35Å; L331-I391 HydrophobicContact CB-CG1 4.35Å; L331-I391 HydrophobicContact CD1-CD1 4.02Å; L331-I391 HydrophobicContact CD2-CD1 3.9Å; L331-I391 HydrophobicContact CG-CD1 3.9Å; L331-I391 WeakPolarHBondContact O-CD1 3.45Å
332P86.2Confident89.3Confident82 Ų8229.6 Ų29.653%0.53217%0.166SC..G310 helixtrans-64.8-21.2178.8-22.134.7000115P330 L334P330-P332 VanDerWaalsContact C-CD 3.47Å; P332-L334 VanDerWaalsContact C-N 3.29Å
333C89Confident88.6Confident2 Ų234.9 Ų34.91%0.01419%0.191CC..G310 helixtrans-84-4.3-178.6-58.70000112.9R295 P330 L331 D335 V336R295-C333 HydrophobicContact CG-CB 3.85Å; P330-C333 WeakPolarHBondContact O-CB 3.28Å; P330-C333 PolarHBondContact O-N 3.18Å; L331-C333 PolarHBondContact O-N 2.87Å; C333-D335 VanDerWaalsContact C-OD1 3.24Å; C333-D335 WeakPolarHBondContact CA-OD1 3.49Å; C333-D335 PolarHBondContact O-N 2.84Å; C333-V336 WeakPolarHBondContact O-CG1 3.31Å
334L88.1Confident87.6Confident2 Ų244.7 Ų44.71%0.0124%0.236CC..G310 helixtrans-75.2-7.7174.9-62.7177.5000112.4L329 L331 P332 V336 L337 L384L329-L334 HydrophobicContact CB-CD2 4.28Å; L331-L334 HydrophobicContact CD2-CD1 4.11Å; L331-L334 WeakPolarHBondContact O-CB 3.39Å; L331-L334 PolarHBondContact O-N 2.97Å; P332-L334 VanDerWaalsContact C-N 3.29Å; L334-V336 PolarHBondContact O-N 3.27Å; L334-L337 HydrophobicContact CD2-CD1 4.41Å; L334-L337 WeakPolarHBondContact O-CB 3.28Å; L334-L337 PolarHBondContact O-N 2.93Å; L334-L384 HydrophobicContact CD1-CD1 3.88Å; L334-L384 HydrophobicContact CD2-CD1 4.09Å
335D88.3Confident86.9Confident45 Ų4546.5 Ų46.524%0.24126%0.264CS..G310 helixtrans-52.9-33.3170.358-7.1000112.2R295 C333 L337 L338 L339 H392R295-D335 IonicContact CZ-OD2 3.02Å; R295-D335 IonicContact NE-OD1 2.64Å; R295-D335 PolarHBondContact NE-OD1 3.36Å; R295-D335 IonicContact NE-OD2 2.71Å; R295-D335 PolarHBondContact NE-OD2 3.09Å; R295-D335 IonicContact NH2-OD2 3.73Å; C333-D335 VanDerWaalsContact C-OD1 3.24Å; C333-D335 WeakPolarHBondContact CA-OD1 3.49Å; C333-D335 PolarHBondContact O-N 2.84Å; D335-L337 PolarHBondContact O-N 3.03Å; D335-L337 VanDerWaalsContact O-N 3.1Å; D335-L338 PolarHBondContact O-N 3.3Å; D335-L339 PolarHBondContact O-N 2.83Å; D335-H392 PolarHBondContact N-NE2 3.1Å
336V89.9Confident86.4Confident0 Ų048 Ų480%027%0.274CS..G310 helixtrans-55.1-27.5176.673.70000113.9L241 A299 R302 C333 L334 L338 L339L241-V336 HydrophobicContact CB-CG2 4.09Å; L241-V336 HydrophobicContact CD1-CG2 4.47Å; A299-V336 HydrophobicContact CB-CG2 3.76Å; R302-V336 PolarHBondContact NH1-O 3.45Å; C333-V336 WeakPolarHBondContact O-CG1 3.31Å; L334-V336 PolarHBondContact O-N 3.27Å; V336-L338 PolarHBondContact O-N 2.98Å; V336-L339 HydrophobicContact CB-CD1 4.35Å; V336-L339 HydrophobicContact CG2-CD1 4.19Å; V336-L339 PolarHBondContact O-N 3.34Å
337L88.9Confident86.1Confident3 Ų350.5 Ų50.52%0.01629%0.287CS..G310 helixtrans-67.3-21.7177.4-61-178.8000112.6R302 L326 L334 D335 A356 L360R302-L337 HydrophobicContact CB-CD2 4.01Å; R302-L337 HydrophobicContact CG-CD2 4.22Å; L326-L337 HydrophobicContact CD2-CD2 4.19Å; L334-L337 HydrophobicContact CD2-CD1 4.41Å; L334-L337 WeakPolarHBondContact O-CB 3.28Å; L334-L337 PolarHBondContact O-N 2.93Å; D335-L337 PolarHBondContact O-N 3.03Å; D335-L337 VanDerWaalsContact O-N 3.1Å; L337-A356 HydrophobicContact CB-CB 4.3Å; L337-L360 HydrophobicContact CD1-CD1 4.37Å
338L88.4Confident86.1Confident24 Ų2454.7 Ų54.713%0.12630%0.299CS..G310 helixtrans-105.3-7.1-176-55.4178.2000113.5D335 V336 P340 V352 M354 V357 H392D335-L338 PolarHBondContact O-N 3.3Å; V336-L338 PolarHBondContact O-N 2.98Å; L338-P340 VanDerWaalsContact C-CD 3.43Å; L338-V352 HydrophobicContact CB-CG1 3.85Å; L338-V352 HydrophobicContact CD2-CG1 4.27Å; L338-V352 HydrophobicContact CG-CG1 4.48Å; L338-M354 HydrophobicContact CD2-CE 4.26Å; L338-M354 HydrophobicContact CD2-SD 3.97Å; L338-V357 HydrophobicContact CD2-CG2 3.82Å; L338-H392 HydrophobicContact CD1-CB 3.87Å
339L85.6Confident86Confident85 Ų8557.3 Ų57.345%0.44531%0.309SS..  trans-67.6-30.9-176.5-72-179.3000116.5L241 D335 V336L241-L339 HydrophobicContact CB-CD1 3.95Å; L241-L339 HydrophobicContact CD1-CD1 3.72Å; D335-L339 PolarHBondContact O-N 2.83Å; V336-L339 HydrophobicContact CB-CD1 4.35Å; V336-L339 HydrophobicContact CG2-CD1 4.19Å; V336-L339 PolarHBondContact O-N 3.34Å
340P83.2Confident85.7Confident27 Ų2761.6 Ų61.618%0.17533%0.33CS..SBendtrans-55.2143.7179.6-27.536.3000112.4L338 N353L338-P340 VanDerWaalsContact C-CD 3.43Å; P340-N353 HydrophobicContact CB-CB 4.47Å; P340-N353 VanDerWaalsContact O-CB 3.25Å; P340-N353 WeakPolarHBondContact O-CB 3.42Å
341K83.7Confident85.5Confident141 Ų14163.7 Ų63.761%0.61335%0.353SS*.  trans-67.2153.5175.8-67.1168.3-176147.30109.5D239 E343 N353D239-K341 IonicContact OD2-NZ 3.06Å; D239-K341 PolarHBondContact OD2-NZ 3.37Å; K341-E343 PolarHBondContact O-N 2.75Å; K341-N353 PolarHBondContact O-ND2 3.09Å
342V83.9Confident85.8Confident62 Ų6262.6 Ų62.638%0.37635%0.348SS..  trans-77.1115173.8179.40000107.8E348 N353V342-E348 HydrophobicContact CB-CG 4.47Å; V342-E348 HydrophobicContact CG1-CB 3.77Å; V342-E348 HydrophobicContact CG1-CG 3.8Å; V342-E348 HydrophobicContact CG2-CB 4.49Å; V342-E348 HydrophobicContact CG2-CG 3.92Å; V342-N353 HydrophobicContact CG2-CB 4.27Å
343E81.3Confident86Confident111 Ų11159.1 Ų59.152%0.51933%0.325SS..  trans-106.1172.3178.4-65.8-175.5176.700111.3K341 G345 S346K341-E343 PolarHBondContact O-N 2.75Å; E343-G345 PolarHBondContact O-N 2.71Å; E343-S346 PolarHBondContact N-OG 3.36Å; E343-S346 WeakPolarHBondContact O-CB 3.36Å; E343-S346 PolarHBondContact O-N 3.29Å; E343-S346 VanDerWaalsContact O-N 3.1Å
344H73.6Confident86.1Confident208 Ų20859 Ų5996%0.96333%0.325SS*.THydrogen-bonded Turntrans-68.7115179.2-138.973.7000109.7
345G77.9Confident86.3Confident78 Ų7860.5 Ų60.580%0.80433%0.333SS*.THydrogen-bonded Turntrans101.6-10.4-174.500000114.5E343E343-G345 PolarHBondContact O-N 2.71Å
346S85.3Confident86.5Confident30 Ų3058.4 Ų58.421%0.2132%0.322CS..  trans-67.5149.3171.3-68.80000112.1E343 E348 N353 D355E343-S346 PolarHBondContact N-OG 3.36Å; E343-S346 WeakPolarHBondContact O-CB 3.36Å; E343-S346 PolarHBondContact O-N 3.29Å; E343-S346 VanDerWaalsContact O-N 3.1Å; S346-E348 PolarHBondContact O-N 2.92Å; S346-E348 VanDerWaalsContact O-N 3.17Å; S346-N353 PolarHBondContact OG-ND2 2.8Å; S346-D355 VanDerWaalsContact CB-OD2 3.3Å; S346-D355 WeakPolarHBondContact CB-OD2 3.25Å; S346-D355 PolarHBondContact OG-OD2 3.08Å
347I87.2Confident86.7Confident55 Ų5558.5 Ų58.528%0.28232%0.323SS..  trans-78.399.2170.3-57.7174.7000107.8M354 D355 N358 F398I347-M354 HydrophobicContact CG2-CB 4.18Å; I347-M354 WeakPolarHBondContact O-CB 3.35Å; I347-M354 PolarHBondContact O-N 3.5Å; I347-D355 WeakPolarHBondContact CB-OD1 3.37Å; I347-D355 PolarHBondContact N-OD1 3.25Å; I347-N358 HydrophobicContact CD1-CB 3.64Å; I347-N358 VanDerWaalsContact CD1-ND2 3.26Å; I347-N358 WeakPolarHBondContact CD1-ND2 3.4Å; I347-F398 HydrophobicContact CG2-CE2 3.71Å; I347-F398 HydrophobicContact CG2-CZ 3.89Å
348E91.3Very high86.9Confident115 Ų11559 Ų5954%0.53733%0.325SS..EExtended strand (participates in β ladder)trans-87.3136.2175.9-168.1-140.4141.300111.5V342 S346 G351V342-E348 HydrophobicContact CB-CG 4.47Å; V342-E348 HydrophobicContact CG1-CB 3.77Å; V342-E348 HydrophobicContact CG1-CG 3.8Å; V342-E348 HydrophobicContact CG2-CB 4.49Å; V342-E348 HydrophobicContact CG2-CG 3.92Å; S346-E348 PolarHBondContact O-N 2.92Å; S346-E348 VanDerWaalsContact O-N 3.17Å; E348-G351 VanDerWaalsContact OE1-CA 3.29Å; E348-G351 WeakPolarHBondContact OE1-CA 3.4Å; E348-G351 PolarHBondContact OE1-N 2.87Å
349Y88.9Confident87.2Confident66 Ų6660.6 Ų60.626%0.25933%0.333SS..EExtended strand (participates in β ladder)trans-140.7123.5163.9-168.8-95.7000110.9G351 V352 K397 F398Y349-G351 VanDerWaalsContact C-N 3.26Å; Y349-G351 PolarHBondContact O-N 3.22Å; Y349-V352 PolarHBondContact N-O 3.27Å; Y349-V352 PolarHBondContact O-N 2.8Å; Y349-V352 VanDerWaalsContact O-N 3.1Å; Y349-K397 HydrophobicContact CE1-CB 3.61Å; Y349-F398 HydrophobicContact CD1-CB 3.88Å; Y349-F398 HydrophobicContact CD2-CD2 4.03Å; Y349-F398 HydrophobicContact CE1-CB 4.36Å; Y349-F398 HydrophobicContact CG-CB 4.05Å; Y349-F398 AromaticContact CG-CD2 3.84Å; Y349-F398 HydrophobicContact CG-CD2 3.84Å; Y349-F398 HydrophobicContact CG-CG 4.44Å
350M85.2Confident87.6Confident92 Ų9256.8 Ų56.845%0.45331%0.313SS..THydrogen-bonded Turntrans54.537.2-177.2-62.1-175.964.600113.7V352 K397M350-V352 VanDerWaalsContact C-N 3.26Å; M350-V352 PolarHBondContact O-N 3.1Å; M350-K397 HydrophobicContact SD-CD 3.63Å
351G85Confident88.2Confident52 Ų5255.9 Ų55.954%0.53631%0.306SS..THydrogen-bonded Turntrans73.811.7-178.100000115.1E348 Y349E348-G351 VanDerWaalsContact OE1-CA 3.29Å; E348-G351 WeakPolarHBondContact OE1-CA 3.4Å; E348-G351 PolarHBondContact OE1-N 2.87Å; Y349-G351 VanDerWaalsContact C-N 3.26Å; Y349-G351 PolarHBondContact O-N 3.22Å
352V90.3Very high88.7Confident34 Ų3453.9 Ų53.921%0.20630%0.299CS..EExtended strand (participates in β ladder)trans-117.4143.2179-179.10000110L338 Y349 M350 M354 E394L338-V352 HydrophobicContact CB-CG1 3.85Å; L338-V352 HydrophobicContact CD2-CG1 4.27Å; L338-V352 HydrophobicContact CG-CG1 4.48Å; Y349-V352 PolarHBondContact N-O 3.27Å; Y349-V352 PolarHBondContact O-N 2.8Å; Y349-V352 VanDerWaalsContact O-N 3.1Å; M350-V352 VanDerWaalsContact C-N 3.26Å; M350-V352 PolarHBondContact O-N 3.1Å; V352-M354 HydrophobicContact CB-CE 4.21Å; V352-M354 HydrophobicContact CG1-CE 4.12Å; V352-E394 HydrophobicContact CG2-CG 4.13Å
353N90.6Very high89.2Confident9 Ų951.6 Ų51.65%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-72127.1174.9-176.5-54.5000110.3P340 K341 V342 S346 D355P340-N353 HydrophobicContact CB-CB 4.47Å; P340-N353 VanDerWaalsContact O-CB 3.25Å; P340-N353 WeakPolarHBondContact O-CB 3.42Å; K341-N353 PolarHBondContact O-ND2 3.09Å; V342-N353 HydrophobicContact CG2-CB 4.27Å; S346-N353 PolarHBondContact OG-ND2 2.8Å; N353-D355 PolarHBondContact ND2-OD2 3.4Å; N353-D355 VanDerWaalsContact OD1-CB 3.28Å; N353-D355 WeakPolarHBondContact OD1-CB 3.3Å; N353-D355 VanDerWaalsContact OD1-CG 3.3Å; N353-D355 PolarHBondContact OD1-N 3.02Å; N353-D355 PolarHBondContact OD1-OD2 3.07Å
354M92Very high89.8Confident0 Ų046.3 Ų46.30%026%0.26CS..  trans-114.713.4-179.9-67.5-67.5170.100113.4L338 I347 V352 A356 V357 N358 E394 F398L338-M354 HydrophobicContact CD2-CE 4.26Å; L338-M354 HydrophobicContact CD2-SD 3.97Å; I347-M354 HydrophobicContact CG2-CB 4.18Å; I347-M354 WeakPolarHBondContact O-CB 3.35Å; I347-M354 PolarHBondContact O-N 3.5Å; V352-M354 HydrophobicContact CB-CE 4.21Å; V352-M354 HydrophobicContact CG1-CE 4.12Å; M354-A356 VanDerWaalsContact C-N 3.35Å; M354-A356 PolarHBondContact O-N 2.99Å; M354-V357 PolarHBondContact O-N 3.15Å; M354-V357 HydrophobicContact SD-CB 4.26Å; M354-V357 HydrophobicContact SD-CG2 4.14Å; M354-N358 VanDerWaalsContact O-CB 3.29Å; M354-N358 WeakPolarHBondContact O-CB 3.43Å; M354-N358 PolarHBondContact O-N 2.86Å; M354-E394 VanDerWaalsContact CE-C 3.47Å; M354-E394 HydrophobicContact CE-CB 3.61Å; M354-F398 HydrophobicContact CB-CD1 4.11Å; M354-F398 HydrophobicContact CB-CD2 4.01Å; M354-F398 HydrophobicContact CB-CE1 3.99Å; M354-F398 HydrophobicContact CB-CE2 3.87Å; M354-F398 HydrophobicContact CB-CG 4.11Å; M354-F398 HydrophobicContact CB-CZ 3.87Å; M354-F398 HydrophobicContact CE-CB 4.11Å; M354-F398 HydrophobicContact CG-CB 4.17Å; M354-F398 HydrophobicContact CG-CD1 4.13Å; M354-F398 HydrophobicContact CG-CD2 3.79Å; M354-F398 HydrophobicContact CG-CE2 4.17Å; M354-F398 HydrophobicContact CG-CG 3.75Å; M354-F398 HydrophobicContact SD-CB 3.88Å; M354-F398 HydrophobicContact SD-CD1 4.05Å; M354-F398 HydrophobicContact SD-CG 3.9Å
355D91.8Very high90.7Very high33 Ų3339.1 Ų39.118%0.17623%0.226CC..Hα-helixtrans-58.9-46.7-176.9-64.4-30.7000111.1M306 S346 I347 N353 V357 N358 M359M306-D355 HydrophobicContact SD-CB 4.39Å; S346-D355 VanDerWaalsContact CB-OD2 3.3Å; S346-D355 WeakPolarHBondContact CB-OD2 3.25Å; S346-D355 PolarHBondContact OG-OD2 3.08Å; I347-D355 WeakPolarHBondContact CB-OD1 3.37Å; I347-D355 PolarHBondContact N-OD1 3.25Å; N353-D355 PolarHBondContact ND2-OD2 3.4Å; N353-D355 VanDerWaalsContact OD1-CB 3.28Å; N353-D355 WeakPolarHBondContact OD1-CB 3.3Å; N353-D355 VanDerWaalsContact OD1-CG 3.3Å; N353-D355 PolarHBondContact OD1-N 3.02Å; N353-D355 PolarHBondContact OD1-OD2 3.07Å; D355-V357 PolarHBondContact O-N 3.03Å; D355-N358 PolarHBondContact O-N 2.79Å; D355-M359 WeakPolarHBondContact O-CB 3.22Å; D355-M359 WeakPolarHBondContact O-CG 3.5Å; D355-M359 PolarHBondContact O-N 2.85Å
356A92.5Very high91.4Very high2 Ų238.8 Ų38.82%0.01720%0.203CC..Hα-helixtrans-60.6-46.217700000112.7R302 L305 M306 L337 M354 M359 L360R302-A356 HydrophobicContact CG-CB 4.09Å; L305-A356 WeakPolarHBondContact CD2-O 3.38Å; M306-A356 HydrophobicContact CE-CB 4.26Å; L337-A356 HydrophobicContact CB-CB 4.3Å; M354-A356 VanDerWaalsContact C-N 3.35Å; M354-A356 PolarHBondContact O-N 2.99Å; A356-M359 PolarHBondContact O-N 2.87Å; A356-L360 WeakPolarHBondContact O-CG 3.41Å; A356-L360 PolarHBondContact O-N 3.11Å
357V94.1Very high91.7Very high2 Ų238.3 Ų38.31%0.01220%0.197CC..Hα-helixtrans-67.6-39.8180178.20000111L338 M354 D355 L360 L361 L385 T395 F398 L399L338-V357 HydrophobicContact CD2-CG2 3.82Å; M354-V357 PolarHBondContact O-N 3.15Å; M354-V357 HydrophobicContact SD-CB 4.26Å; M354-V357 HydrophobicContact SD-CG2 4.14Å; D355-V357 PolarHBondContact O-N 3.03Å; V357-L360 PolarHBondContact O-N 3.33Å; V357-L361 PolarHBondContact O-N 3.05Å; V357-L385 HydrophobicContact CG1-CD2 4.45Å; V357-T395 HydrophobicContact CG1-CG2 3.95Å; V357-T395 HydrophobicContact CG2-CG2 4.19Å; V357-F398 HydrophobicContact CB-CD1 4.4Å; V357-F398 HydrophobicContact CB-CE1 4.45Å; V357-F398 HydrophobicContact CG1-CD1 3.79Å; V357-F398 HydrophobicContact CG1-CE1 4.08Å; V357-L399 HydrophobicContact CG1-CD1 4.26Å; V357-L399 HydrophobicContact CG1-CD2 3.75Å; V357-L399 HydrophobicContact CG1-CG 3.92Å
358N94.3Very high91.8Very high13 Ų1336.6 Ų36.67%0.0719%0.188CC..Hα-helixtrans-65.3-43.5177.5-171.678.2000111.3I347 M354 D355 L360 L361 E362 F398I347-N358 HydrophobicContact CD1-CB 3.64Å; I347-N358 VanDerWaalsContact CD1-ND2 3.26Å; I347-N358 WeakPolarHBondContact CD1-ND2 3.4Å; M354-N358 VanDerWaalsContact O-CB 3.29Å; M354-N358 WeakPolarHBondContact O-CB 3.43Å; M354-N358 PolarHBondContact O-N 2.86Å; D355-N358 PolarHBondContact O-N 2.79Å; N358-L360 VanDerWaalsContact C-N 3.34Å; N358-L360 PolarHBondContact O-N 3.4Å; N358-L361 WeakPolarHBondContact O-CB 3.12Å; N358-L361 PolarHBondContact O-N 2.94Å; N358-L361 VanDerWaalsContact O-N 3.12Å; N358-E362 PolarHBondContact ND2-OE1 3.43Å; N358-E362 WeakPolarHBondContact O-CG 3.29Å; N358-E362 PolarHBondContact O-N 3.43Å; N358-F398 HydrophobicContact CB-CE1 4.13Å; N358-F398 HydrophobicContact CB-CZ 4Å
359M93.3Very high91.8Very high58 Ų5835.8 Ų35.829%0.28619%0.187SC..Hα-helixtrans-61.5-39.3174.3-75.7-62.4-57.100112.6L305 M306 D355 A356 L361 F363L305-M359 HydrophobicContact CD2-CB 4.16Å; L305-M359 HydrophobicContact CG-CB 4.19Å; M306-M359 HydrophobicContact CE-CB 3.57Å; M306-M359 HydrophobicContact CE-CG 3.44Å; M306-M359 VanDerWaalsContact CE-CG 3.44Å; M306-M359 HydrophobicContact SD-CG 3.97Å; D355-M359 WeakPolarHBondContact O-CB 3.22Å; D355-M359 WeakPolarHBondContact O-CG 3.5Å; D355-M359 PolarHBondContact O-N 2.85Å; A356-M359 PolarHBondContact O-N 2.87Å; M359-L361 VanDerWaalsContact C-N 3.33Å; M359-F363 VanDerWaalsContact O-CB 3.24Å; M359-F363 WeakPolarHBondContact O-CB 3.32Å; M359-F363 PolarHBondContact O-N 3.05Å
360L95.1Very high91.7Very high4 Ų438 Ų382%0.02120%0.195CC..Hα-helixtrans-62.3-40.8172.8-72.1175.8000112L305 V323 L326 L337 A356 V357 N358 F363 M364 L384 L385L305-L360 HydrophobicContact CD1-CD2 3.94Å; L305-L360 HydrophobicContact CD2-CD2 3.69Å; L305-L360 HydrophobicContact CD2-CG 3.66Å; L305-L360 HydrophobicContact CG-CD2 4.49Å; V323-L360 HydrophobicContact CG2-CD2 3.62Å; L326-L360 HydrophobicContact CD1-CD2 4.47Å; L337-L360 HydrophobicContact CD1-CD1 4.37Å; A356-L360 WeakPolarHBondContact O-CG 3.41Å; A356-L360 PolarHBondContact O-N 3.11Å; V357-L360 PolarHBondContact O-N 3.33Å; N358-L360 VanDerWaalsContact C-N 3.34Å; N358-L360 PolarHBondContact O-N 3.4Å; L360-F363 PolarHBondContact O-N 3.1Å; L360-M364 WeakPolarHBondContact O-CB 3.28Å; L360-M364 PolarHBondContact O-N 3.05Å; L360-L384 HydrophobicContact CD1-CD2 3.85Å; L360-L384 HydrophobicContact CD1-CG 4.41Å; L360-L384 HydrophobicContact CD2-CD2 3.99Å; L360-L385 HydrophobicContact CB-CD2 3.82Å; L360-L385 HydrophobicContact CB-CG 4.39Å; L360-L385 HydrophobicContact CD1-CD2 4.24Å
361L95.2Very high91.4Very high8 Ų835.8 Ų35.84%0.04220%0.196CC..Hα-helixtrans-65.8-46.2178.1-175.664.4000111.6V357 N358 M359 F363 M364 E365 L385 L399 K402 V403 L420V357-L361 PolarHBondContact O-N 3.05Å; N358-L361 WeakPolarHBondContact O-CB 3.12Å; N358-L361 PolarHBondContact O-N 2.94Å; N358-L361 VanDerWaalsContact O-N 3.12Å; M359-L361 VanDerWaalsContact C-N 3.33Å; L361-F363 VanDerWaalsContact C-N 3.35Å; L361-M364 HydrophobicContact CD1-CE 3.77Å; L361-M364 WeakPolarHBondContact O-CB 3.17Å; L361-M364 PolarHBondContact O-N 3.4Å; L361-E365 PolarHBondContact O-N 2.94Å; L361-L385 HydrophobicContact CD1-CD1 4.39Å; L361-L399 HydrophobicContact CB-CD2 4.23Å; L361-L399 HydrophobicContact CD1-CD2 4.03Å; L361-L399 HydrophobicContact CD2-CD2 4.01Å; L361-L399 HydrophobicContact CG-CD2 4.32Å; L361-K402 HydrophobicContact CD2-CB 3.75Å; L361-K402 HydrophobicContact CD2-CG 4.24Å; L361-V403 HydrophobicContact CD1-CG2 3.93Å; L361-V403 HydrophobicContact CD2-CG2 4.48Å; L361-L420 HydrophobicContact CD1-CD2 3.71Å; L361-L420 HydrophobicContact CG-CD2 4.21Å
362E94.2Very high91.2Very high100 Ų10040.5 Ų40.547%0.46720%0.204SC..Hα-helixtrans-63.1-41.3176-73.1179.3-173.800111.6N358 E365 K366N358-E362 PolarHBondContact ND2-OE1 3.43Å; N358-E362 WeakPolarHBondContact O-CG 3.29Å; N358-E362 PolarHBondContact O-N 3.43Å; E362-E365 PolarHBondContact O-N 3.04Å; E362-K366 WeakPolarHBondContact O-CB 3.26Å; E362-K366 PolarHBondContact O-N 3.02Å
363F93.6Very high90.8Very high14 Ų1446 Ų466%0.06123%0.225CC..Hα-helixtrans-60.1-46.7173.7178.9-96000111.4E316 H319 V323 M359 L360 L361 K366 K367E316-F363 HydrophobicContact CG-CE2 3.98Å; H319-F363 HydrophobicContact CB-CD2 3.83Å; H319-F363 HydrophobicContact CB-CE2 3.58Å; H319-F363 HydrophobicContact CB-CZ 4.34Å; V323-F363 HydrophobicContact CB-CE1 4.46Å; V323-F363 HydrophobicContact CG2-CD1 4.1Å; V323-F363 HydrophobicContact CG2-CE1 4.05Å; M359-F363 VanDerWaalsContact O-CB 3.24Å; M359-F363 WeakPolarHBondContact O-CB 3.32Å; M359-F363 PolarHBondContact O-N 3.05Å; L360-F363 PolarHBondContact O-N 3.1Å; L361-F363 VanDerWaalsContact C-N 3.35Å; F363-K366 PolarHBondContact O-N 3.31Å; F363-K367 HydrophobicContact CD1-CG 4.41Å; F363-K367 HydrophobicContact CE1-CG 4.07Å; F363-K367 HydrophobicContact CZ-CD 4.37Å; F363-K367 HydrophobicContact CZ-CG 4.22Å; F363-K367 WeakPolarHBondContact O-CG 3.44Å; F363-K367 PolarHBondContact O-N 2.98Å
364M94.4Very high90.4Very high0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-60.9-45.5176.2-176.2-157.576.300111.9L360 L361 K367 L368 L378 L382 L385 L420 L424 F442L360-M364 WeakPolarHBondContact O-CB 3.28Å; L360-M364 PolarHBondContact O-N 3.05Å; L361-M364 HydrophobicContact CD1-CE 3.77Å; L361-M364 WeakPolarHBondContact O-CB 3.17Å; L361-M364 PolarHBondContact O-N 3.4Å; M364-K367 PolarHBondContact O-N 2.92Å; M364-L368 WeakPolarHBondContact O-CB 3.34Å; M364-L368 PolarHBondContact O-N 3.34Å; M364-L378 HydrophobicContact CG-CD1 3.52Å; M364-L382 HydrophobicContact CG-CD2 4.42Å; M364-L382 HydrophobicContact CG-CG 4.35Å; M364-L382 HydrophobicContact SD-CD2 3.41Å; M364-L382 WeakPolarHBondContact SD-CD2 3.42Å; M364-L382 HydrophobicContact SD-CG 3.94Å; M364-L385 HydrophobicContact CB-CD1 4.21Å; M364-L385 HydrophobicContact CG-CD1 4.47Å; M364-L385 HydrophobicContact SD-CD1 3.72Å; M364-L420 HydrophobicContact CE-CD1 3.93Å; M364-L420 HydrophobicContact CE-CD2 4.06Å; M364-L420 HydrophobicContact CE-CG 4.41Å; M364-L424 HydrophobicContact CE-CD1 4.46Å; M364-L424 HydrophobicContact CE-CD2 4.46Å; M364-F442 HydrophobicContact SD-CE1 4.47Å
365E93.6Very high90.1Very high57 Ų5751.2 Ų51.227%0.26625%0.249SC..Hα-helixtrans-63.3-42178.2179.6160.3-153.300111.7L361 E362 K367 L368 D369 L420 K423L361-E365 PolarHBondContact O-N 2.94Å; E362-E365 PolarHBondContact O-N 3.04Å; E365-K367 VanDerWaalsContact C-N 3.33Å; E365-K367 PolarHBondContact O-N 3.41Å; E365-L368 WeakPolarHBondContact O-CB 3.34Å; E365-L368 PolarHBondContact O-N 3.41Å; E365-L368 VanDerWaalsContact O-N 3.16Å; E365-D369 PolarHBondContact O-N 2.99Å; E365-L420 HydrophobicContact CB-CD1 4.16Å; E365-L420 HydrophobicContact CG-CD1 4.12Å; E365-K423 IonicContact OE1-NZ 2.72Å; E365-K423 PolarHBondContact OE1-NZ 3.17Å
366K91.9Very high89.7Confident70 Ų7055.8 Ų55.830%0.30427%0.269SS..Hα-helixtrans-60.9-40.5175.3-172.6-179.1-177.6-178.20112.3E312 E316 E362 F363 D369 R370E312-K366 WeakPolarHBondContact OE1-CE 3.43Å; E312-K366 IonicContact OE1-NZ 3.85Å; E312-K366 PolarHBondContact OE1-NZ 3.5Å; E316-K366 IonicContact OE2-NZ 2.88Å; E362-K366 WeakPolarHBondContact O-CB 3.26Å; E362-K366 PolarHBondContact O-N 3.02Å; F363-K366 PolarHBondContact O-N 3.31Å; K366-D369 PolarHBondContact O-N 2.95Å; K366-R370 WeakPolarHBondContact O-CG 3.49Å; K366-R370 PolarHBondContact O-N 3.31Å
367K90.8Very high89.4Confident20 Ų2057.3 Ų57.39%0.08728%0.278CS..Hα-helixtrans-66.2-39.4174.9-67.9-62-170.4174.20111.8E316 F363 M364 E365 R370 G371 L378E316-K367 VanDerWaalsContact CG-NZ 3.32Å; E316-K367 WeakPolarHBondContact OE1-CD 3.41Å; E316-K367 VanDerWaalsContact OE1-CE 3.26Å; E316-K367 WeakPolarHBondContact OE1-CE 3.41Å; E316-K367 IonicContact OE1-NZ 3.32Å; E316-K367 PolarHBondContact OE1-NZ 3.42Å; F363-K367 HydrophobicContact CD1-CG 4.41Å; F363-K367 HydrophobicContact CE1-CG 4.07Å; F363-K367 HydrophobicContact CZ-CD 4.37Å; F363-K367 HydrophobicContact CZ-CG 4.22Å; F363-K367 WeakPolarHBondContact O-CG 3.44Å; F363-K367 PolarHBondContact O-N 2.98Å; M364-K367 PolarHBondContact O-N 2.92Å; E365-K367 VanDerWaalsContact C-N 3.33Å; E365-K367 PolarHBondContact O-N 3.41Å; K367-R370 PolarHBondContact O-N 3.17Å; K367-G371 PolarHBondContact O-N 3.37Å; K367-L378 HydrophobicContact CB-CD1 4.41Å
368L90.3Very high89.2Confident19 Ų1957.2 Ų57.210%0.09928%0.277CS..Hα-helixtrans-62.5-42.9176.7-176.355.8000111.7M364 E365 R370 G371 L378 L420 K423 L424 L427M364-L368 WeakPolarHBondContact O-CB 3.34Å; M364-L368 PolarHBondContact O-N 3.34Å; E365-L368 WeakPolarHBondContact O-CB 3.34Å; E365-L368 PolarHBondContact O-N 3.41Å; E365-L368 VanDerWaalsContact O-N 3.16Å; L368-R370 VanDerWaalsContact C-N 3.29Å; L368-R370 PolarHBondContact O-N 2.89Å; L368-G371 PolarHBondContact O-N 2.93Å; L368-L378 HydrophobicContact CB-CD1 4.27Å; L368-L378 HydrophobicContact CD1-CD2 4.07Å; L368-L420 HydrophobicContact CD2-CD1 3.91Å; L368-K423 HydrophobicContact CD2-CB 3.48Å; L368-K423 VanDerWaalsContact CD2-CB 3.48Å; L368-K423 HydrophobicContact CD2-CD 4.02Å; L368-K423 HydrophobicContact CD2-CG 4.38Å; L368-K423 HydrophobicContact CG-CB 4.15Å; L368-K423 HydrophobicContact CG-CD 4.36Å; L368-L424 HydrophobicContact CD2-CD2 4.15Å; L368-L424 HydrophobicContact CD2-CG 4.42Å; L368-L427 HydrophobicContact CD1-CD1 3.56Å; L368-L427 HydrophobicContact CD1-CD2 4.31Å; L368-L427 HydrophobicContact CD1-CG 4.11Å
369D90Very high89Confident98 Ų9857.6 Ų57.652%0.52428%0.279SS..Hα-helixtrans-67.3-27.8-179.4-75.4-19.1000113.7E365 K366 K423E365-D369 PolarHBondContact O-N 2.99Å; K366-D369 PolarHBondContact O-N 2.95Å; D369-K423 WeakPolarHBondContact OD1-CD 3.39Å; D369-K423 WeakPolarHBondContact OD1-CE 3.46Å; D369-K423 IonicContact OD1-NZ 2.98Å; D369-K423 PolarHBondContact OD1-NZ 3.14Å; D369-K423 IonicContact OD2-NZ 2.8Å; D369-K423 PolarHBondContact OD2-NZ 3.1Å
370R86.6Confident88.9Confident113 Ų11356.4 Ų56.443%0.42628%0.276SS..Hα-helixtrans-74.2-29.9175-72-179.1175.3-167.85.3113.4E312 E316 K366 K367 L368 H372E312-R370 IonicContact OE1-NH2 2.63Å; E316-R370 IonicContact OE1-CZ 3.01Å; E316-R370 IonicContact OE1-NE 2.84Å; E316-R370 IonicContact OE1-NH1 3.09Å; E316-R370 PolarHBondContact OE1-NH1 2.86Å; E316-R370 IonicContact OE2-CZ 3.47Å; E316-R370 IonicContact OE2-NE 2.84Å; E316-R370 IonicContact OE2-NH1 2.72Å; E316-R370 PolarHBondContact OE2-NH1 3.44Å; E316-R370 IonicContact OE2-NH2 3.99Å; E316-R370 PolarHBondContact OE2-NH2 3.47Å; K366-R370 WeakPolarHBondContact O-CG 3.49Å; K366-R370 PolarHBondContact O-N 3.31Å; K367-R370 PolarHBondContact O-N 3.17Å; L368-R370 VanDerWaalsContact C-N 3.29Å; L368-R370 PolarHBondContact O-N 2.89Å; R370-H372 PolarHBondContact O-CD2 3.17Å; R370-H372 PolarHBondContact O-N 3.07Å
371G80.4Confident88.8Confident46 Ų4656.2 Ų56.247%0.47428%0.275SS..  trans67-0.4176.500000116.6K367 L368K367-G371 PolarHBondContact O-N 3.37Å; L368-G371 PolarHBondContact O-N 2.93Å
372H80.1Confident88.7Confident150 Ų15055.9 Ų55.969%0.69427%0.273SS*.SBendtrans-89.9129.3-177.5-67.9-66.3000112.1R370 L374 T377R370-H372 PolarHBondContact O-CD2 3.17Å; R370-H372 PolarHBondContact O-N 3.07Å; H372-L374 VanDerWaalsContact C-N 3.27Å; H372-L374 PolarHBondContact O-N 3.03Å; H372-T377 PolarHBondContact O-OG1 2.67Å
373K81.8Confident88.6Confident150 Ų15054.4 Ų54.465%0.65227%0.269SS*.SBendtrans47.147176.4-62.4-174.8170.2-165.20113.3K375 E376 T377K373-K375 PolarHBondContact O-N 2.88Å; K373-E376 WeakPolarHBondContact CD-OE2 3.42Å; K373-E376 IonicContact NZ-OE2 3.9Å; K373-E376 PolarHBondContact O-N 3.49Å; K373-T377 HydrophobicContact CB-CG2 4.37Å; K373-T377 PolarHBondContact O-N 2.66Å; K373-T377 VanDerWaalsContact O-N 3.1Å; K373-T377 PolarHBondContact O-OG1 2.68Å; K373-T377 VanDerWaalsContact O-OG1 3.05Å
374L82.9Confident88.6Confident24 Ų2454 Ų5413%0.12627%0.267CS..Hα-helixtrans-49.4-36.9-174.6-67.8174.8000113.3H372 E376 T377 L378 L427 V435H372-L374 VanDerWaalsContact C-N 3.27Å; H372-L374 PolarHBondContact O-N 3.03Å; L374-E376 PolarHBondContact O-N 3.43Å; L374-T377 PolarHBondContact O-N 3Å; L374-L378 HydrophobicContact CD2-CB 4.44Å; L374-L378 HydrophobicContact CD2-CD2 4.31Å; L374-L378 WeakPolarHBondContact O-CA 3.46Å; L374-L378 WeakPolarHBondContact O-CB 3.3Å; L374-L378 PolarHBondContact O-N 2.68Å; L374-L427 HydrophobicContact CD1-CD2 4.02Å; L374-V435 HydrophobicContact CB-CG2 4.39Å
375K84.9Confident88.6Confident95 Ų9554.1 Ų54.141%0.41327%0.267SS..Hα-helixtrans-55.9-48.7176.1-175.3176.1-171.5149.40113.2K373 L379 D432 D434 V435K373-K375 PolarHBondContact O-N 2.88Å; K375-L379 HydrophobicContact CG-CD1 3.83Å; K375-L379 WeakPolarHBondContact O-CB 3.49Å; K375-L379 VanDerWaalsContact O-CD1 3.28Å; K375-L379 WeakPolarHBondContact O-CD1 3.35Å; K375-L379 WeakPolarHBondContact O-CG 3.14Å; K375-D432 IonicContact NZ-OD2 3.32Å; K375-D434 WeakPolarHBondContact CE-OD2 3.24Å; K375-D434 IonicContact NZ-OD2 3.98Å; K375-D434 PolarHBondContact NZ-OD2 3.4Å; K375-V435 HydrophobicContact CB-CG2 4.23Å
376E83.3Confident88.5Confident129 Ų12951.5 Ų51.560%0.60326%0.256SS*.Hα-helixtrans-79.5-32.4-177.1-67.2174-174.200111.7K373 L374K373-E376 WeakPolarHBondContact CD-OE2 3.42Å; K373-E376 IonicContact NZ-OE2 3.9Å; K373-E376 PolarHBondContact O-N 3.49Å; L374-E376 PolarHBondContact O-N 3.43Å
377T85.8Confident88.4Confident33 Ų3351 Ų5120%0.20225%0.254CS..Hα-helixtrans-98.6-31-167.959.90000114.5H372 K373 L374H372-T377 PolarHBondContact O-OG1 2.67Å; K373-T377 HydrophobicContact CB-CG2 4.37Å; K373-T377 PolarHBondContact O-N 2.66Å; K373-T377 VanDerWaalsContact O-N 3.1Å; K373-T377 PolarHBondContact O-OG1 2.68Å; K373-T377 VanDerWaalsContact O-OG1 3.05Å; L374-T377 PolarHBondContact O-N 3Å
378L89.9Confident88.3Confident0 Ų050.4 Ų50.40%025%0.252CS..THydrogen-bonded Turntrans-99.4-35.7-174.3-174.669.3000112.7M364 K367 L368 L374 S381 L382 L427M364-L378 HydrophobicContact CG-CD1 3.52Å; K367-L378 HydrophobicContact CB-CD1 4.41Å; L368-L378 HydrophobicContact CB-CD1 4.27Å; L368-L378 HydrophobicContact CD1-CD2 4.07Å; L374-L378 HydrophobicContact CD2-CB 4.44Å; L374-L378 HydrophobicContact CD2-CD2 4.31Å; L374-L378 WeakPolarHBondContact O-CA 3.46Å; L374-L378 WeakPolarHBondContact O-CB 3.3Å; L374-L378 PolarHBondContact O-N 2.68Å; L378-S381 PolarHBondContact O-N 3.41Å; L378-S381 PolarHBondContact O-OG 2.76Å; L378-L382 HydrophobicContact CD1-CD1 4.37Å; L378-L382 HydrophobicContact CD1-CG 4.29Å; L378-L382 HydrophobicContact CD2-CD1 3.64Å; L378-L382 HydrophobicContact CD2-CG 4.43Å; L378-L382 HydrophobicContact CG-CD1 3.59Å; L378-L382 HydrophobicContact CG-CG 3.95Å; L378-L382 PolarHBondContact O-N 3.32Å; L378-L427 HydrophobicContact CD2-CD1 3.54Å
379L90.8Very high88.4Confident21 Ų2149.5 Ų49.511%0.1125%0.248CC..Hα-helixtrans-58.1-41.9-175.7-67.3-174.6000113.9K375 S381 L382 N383 D434 V435 C438K375-L379 HydrophobicContact CG-CD1 3.83Å; K375-L379 WeakPolarHBondContact O-CB 3.49Å; K375-L379 VanDerWaalsContact O-CD1 3.28Å; K375-L379 WeakPolarHBondContact O-CD1 3.35Å; K375-L379 WeakPolarHBondContact O-CG 3.14Å; L379-S381 PolarHBondContact O-N 2.97Å; L379-L382 PolarHBondContact O-N 3.43Å; L379-N383 VanDerWaalsContact O-CB 3.29Å; L379-N383 WeakPolarHBondContact O-CB 3.31Å; L379-N383 VanDerWaalsContact O-CG 3.23Å; L379-N383 PolarHBondContact O-N 3.43Å; L379-N383 PolarHBondContact O-ND2 2.88Å; L379-D434 HydrophobicContact CD1-CB 3.93Å; L379-V435 HydrophobicContact CD2-CG2 4.43Å; L379-C438 HydrophobicContact CD2-CB 3.61Å
380P91.5Very high88.4Confident33 Ų3348 Ų4821%0.21423%0.234CC..Hα-helixtrans-60.4-43179.6-25.436000113.1V323 N324 L384V323-P380 HydrophobicContact CG1-CB 4.26Å; N324-P380 WeakPolarHBondContact OD1-CB 3.27Å; N324-P380 WeakPolarHBondContact OD1-CG 3.29Å; P380-L384 VanDerWaalsContact O-CB 3.3Å; P380-L384 WeakPolarHBondContact O-CB 3.3Å; P380-L384 PolarHBondContact O-N 3.39Å; P380-L384 VanDerWaalsContact O-N 3.08Å
381S93Very high88.3Confident1 Ų145.8 Ų45.81%0.00723%0.231CC..Hα-helixtrans-72.3-41.5178.952.20000112.2L378 L379 L384 L385L378-S381 PolarHBondContact O-N 3.41Å; L378-S381 PolarHBondContact O-OG 2.76Å; L379-S381 PolarHBondContact O-N 2.97Å; S381-L384 PolarHBondContact O-N 2.87Å; S381-L385 WeakPolarHBondContact O-CB 3.37Å; S381-L385 VanDerWaalsContact O-CG 3.31Å; S381-L385 WeakPolarHBondContact O-CG 3.29Å; S381-L385 PolarHBondContact O-N 3.35Å
382L93.5Very high88.6Confident0 Ų044.7 Ų44.70%021%0.213CC..Hα-helixtrans-60-47.5174.9-86.5175.9000111.9M364 L378 L379 L385 T386 L424 F442M364-L382 HydrophobicContact CG-CD2 4.42Å; M364-L382 HydrophobicContact CG-CG 4.35Å; M364-L382 HydrophobicContact SD-CD2 3.41Å; M364-L382 WeakPolarHBondContact SD-CD2 3.42Å; M364-L382 HydrophobicContact SD-CG 3.94Å; L378-L382 HydrophobicContact CD1-CD1 4.37Å; L378-L382 HydrophobicContact CD1-CG 4.29Å; L378-L382 HydrophobicContact CD2-CD1 3.64Å; L378-L382 HydrophobicContact CD2-CG 4.43Å; L378-L382 HydrophobicContact CG-CD1 3.59Å; L378-L382 HydrophobicContact CG-CG 3.95Å; L378-L382 PolarHBondContact O-N 3.32Å; L379-L382 PolarHBondContact O-N 3.43Å; L382-L385 PolarHBondContact O-N 2.93Å; L382-T386 VanDerWaalsContact O-CB 3.29Å; L382-T386 WeakPolarHBondContact O-CB 3.16Å; L382-T386 PolarHBondContact O-N 3.26Å; L382-T386 PolarHBondContact O-OG1 3.35Å; L382-L424 HydrophobicContact CD2-CD2 4.1Å; L382-F442 HydrophobicContact CD2-CB 4.11Å; L382-F442 HydrophobicContact CD2-CD1 3.73Å; L382-F442 HydrophobicContact CD2-CE1 4.35Å; L382-F442 HydrophobicContact CD2-CG 3.99Å
383N91.9Very high89.1Confident70 Ų7042.7 Ų42.737%0.37420%0.199SC..Hα-helixtrans-65.3-43.7-179.1-72.1-17.9000111.2L379 L385 T386 E387 C438L379-N383 VanDerWaalsContact O-CB 3.29Å; L379-N383 WeakPolarHBondContact O-CB 3.31Å; L379-N383 VanDerWaalsContact O-CG 3.23Å; L379-N383 PolarHBondContact O-N 3.43Å; L379-N383 PolarHBondContact O-ND2 2.88Å; N383-L385 PolarHBondContact O-N 3.35Å; N383-T386 PolarHBondContact O-N 2.86Å; N383-E387 WeakPolarHBondContact O-CG 3.26Å; N383-E387 PolarHBondContact O-N 3.23Å; N383-C438 PolarHBondContact OD1-SG 2.96Å; N383-C438 VanDerWaalsContact OD1-SG 3.4Å
384L92.4Very high89.5Confident5 Ų537.7 Ų37.73%0.02618%0.179CC..Hα-helixtrans-59.1-47.8176.4178.162.2000111.9V323 L326 L334 L360 P380 S381 T386 S388V323-L384 HydrophobicContact CG1-CD2 4.18Å; L326-L384 HydrophobicContact CB-CD1 4.14Å; L326-L384 HydrophobicContact CB-CD2 3.61Å; L326-L384 HydrophobicContact CD1-CD2 4.11Å; L334-L384 HydrophobicContact CD1-CD1 3.88Å; L334-L384 HydrophobicContact CD2-CD1 4.09Å; L360-L384 HydrophobicContact CD1-CD2 3.85Å; L360-L384 HydrophobicContact CD1-CG 4.41Å; L360-L384 HydrophobicContact CD2-CD2 3.99Å; P380-L384 VanDerWaalsContact O-CB 3.3Å; P380-L384 WeakPolarHBondContact O-CB 3.3Å; P380-L384 PolarHBondContact O-N 3.39Å; P380-L384 VanDerWaalsContact O-N 3.08Å; S381-L384 PolarHBondContact O-N 2.87Å; L384-T386 VanDerWaalsContact C-N 3.34Å; L384-T386 PolarHBondContact O-N 2.92Å; L384-S388 WeakPolarHBondContact O-CB 2.99Å; L384-S388 PolarHBondContact O-N 3.43Å
385L94.3Very high89.9Confident2 Ų236.6 Ų36.61%0.0117%0.173CC..Hα-helixtrans-66-36.5178.2-71.5170.8000112.1V357 L360 L361 M364 S381 L382 N383 S389 L399 F442V357-L385 HydrophobicContact CG1-CD2 4.45Å; L360-L385 HydrophobicContact CB-CD2 3.82Å; L360-L385 HydrophobicContact CB-CG 4.39Å; L360-L385 HydrophobicContact CD1-CD2 4.24Å; L361-L385 HydrophobicContact CD1-CD1 4.39Å; M364-L385 HydrophobicContact CB-CD1 4.21Å; M364-L385 HydrophobicContact CG-CD1 4.47Å; M364-L385 HydrophobicContact SD-CD1 3.72Å; S381-L385 WeakPolarHBondContact O-CB 3.37Å; S381-L385 VanDerWaalsContact O-CG 3.31Å; S381-L385 WeakPolarHBondContact O-CG 3.29Å; S381-L385 PolarHBondContact O-N 3.35Å; L382-L385 PolarHBondContact O-N 2.93Å; N383-L385 PolarHBondContact O-N 3.35Å; L385-S389 VanDerWaalsContact O-CB 3.29Å; L385-S389 WeakPolarHBondContact O-CB 3.46Å; L385-S389 PolarHBondContact O-N 3.01Å; L385-S389 PolarHBondContact O-OG 3.44Å; L385-L399 HydrophobicContact CB-CD1 4.31Å; L385-L399 HydrophobicContact CD2-CD1 3.94Å; L385-L399 HydrophobicContact CD2-CD2 4.2Å; L385-F442 HydrophobicContact CB-CD2 4.45Å; L385-F442 HydrophobicContact CB-CE2 3.79Å; L385-F442 HydrophobicContact CB-CZ 4.29Å
386T93.1Very high90.3Very high3 Ų333.1 Ų33.12%0.01816%0.157CC..Hα-helixtrans-63.9-52.9176.8-58.70000111.1L382 N383 L384 S389 R390 E441 F442 V445L382-T386 VanDerWaalsContact O-CB 3.29Å; L382-T386 WeakPolarHBondContact O-CB 3.16Å; L382-T386 PolarHBondContact O-N 3.26Å; L382-T386 PolarHBondContact O-OG1 3.35Å; N383-T386 PolarHBondContact O-N 2.86Å; L384-T386 VanDerWaalsContact C-N 3.34Å; L384-T386 PolarHBondContact O-N 2.92Å; T386-S389 WeakPolarHBondContact O-CB 3.28Å; T386-S389 PolarHBondContact O-N 3.34Å; T386-S389 VanDerWaalsContact O-N 3.15Å; T386-R390 PolarHBondContact O-N 3.47Å; T386-R390 VanDerWaalsContact O-N 3.14Å; T386-E441 HydrophobicContact CG2-CG 4.03Å; T386-F442 WeakPolarHBondContact OG1-CA 3.44Å; T386-F442 VanDerWaalsContact OG1-CB 3.3Å; T386-F442 WeakPolarHBondContact OG1-CB 3.45Å; T386-F442 VanDerWaalsContact OG1-CD2 3.27Å; T386-F442 WeakPolarHBondContact OG1-CD2 3.5Å; T386-V445 HydrophobicContact CG2-CB 4.31Å; T386-V445 HydrophobicContact CG2-CG2 3.82Å
387E88.4Confident90.7Very high60 Ų6028.6 Ų28.628%0.2814%0.135SC..Hα-helixtrans-70.5-38.8-176.9-65.7-54.8121.800111.9L331 N383 S389 R390 I391L331-E387 HydrophobicContact CD1-CB 4.4Å; L331-E387 HydrophobicContact CD2-CB 3.57Å; L331-E387 HydrophobicContact CD2-CG 4.32Å; N383-E387 WeakPolarHBondContact O-CG 3.26Å; N383-E387 PolarHBondContact O-N 3.23Å; E387-S389 PolarHBondContact O-N 3.48Å; E387-R390 WeakPolarHBondContact O-CB 3.47Å; E387-R390 PolarHBondContact O-N 3.5Å; E387-R390 IonicContact OE1-CZ 2.8Å; E387-R390 IonicContact OE1-NE 3.97Å; E387-R390 PolarHBondContact OE1-NE 2.9Å; E387-R390 IonicContact OE1-NH2 2.64Å; E387-R390 IonicContact OE2-NE 3.67Å; E387-I391 VanDerWaalsContact O-CD1 3.31Å; E387-I391 WeakPolarHBondContact O-CD1 3.43Å; E387-I391 WeakPolarHBondContact O-CG1 3.4Å; E387-I391 PolarHBondContact O-N 3.07Å
388S90.1Very high91.1Very high6 Ų627.2 Ų27.24%0.04213%0.126CC..Hα-helixtrans-58.5-36.9170.9-170.90000111.7L384 R390 I391 H392L384-S388 WeakPolarHBondContact O-CB 2.99Å; L384-S388 PolarHBondContact O-N 3.43Å; S388-R390 VanDerWaalsContact C-N 3.35Å; S388-R390 PolarHBondContact O-N 3.11Å; S388-I391 PolarHBondContact O-N 3.17Å; S388-H392 PolarHBondContact O-N 2.98Å
389S92.1Very high91.3Very high0 Ų027.2 Ų27.20%013%0.126CC..Hα-helixtrans-69.4-25.9175.6-62.60000114.1L385 T386 E387 R396 L399L385-S389 VanDerWaalsContact O-CB 3.29Å; L385-S389 WeakPolarHBondContact O-CB 3.46Å; L385-S389 PolarHBondContact O-N 3.01Å; L385-S389 PolarHBondContact O-OG 3.44Å; T386-S389 WeakPolarHBondContact O-CB 3.28Å; T386-S389 PolarHBondContact O-N 3.34Å; T386-S389 VanDerWaalsContact O-N 3.15Å; E387-S389 PolarHBondContact O-N 3.48Å; S389-R396 WeakPolarHBondContact O-CB 3.38Å; S389-R396 WeakPolarHBondContact O-CD 3.46Å; S389-R396 PolarHBondContact O-NH1 3.21Å; S389-L399 VanDerWaalsContact OG-CD1 3.28Å; S389-L399 WeakPolarHBondContact OG-CD1 3.3Å
390R88.9Confident91.5Very high66 Ų6627.1 Ų27.125%0.24913%0.125CC..Hα-helixtrans-69.1-41.2174.5-67.2-173.3-166-84.80111.2T386 E387 S388 E441 V445 E449T386-R390 PolarHBondContact O-N 3.47Å; T386-R390 VanDerWaalsContact O-N 3.14Å; E387-R390 WeakPolarHBondContact O-CB 3.47Å; E387-R390 PolarHBondContact O-N 3.5Å; E387-R390 IonicContact OE1-CZ 2.8Å; E387-R390 IonicContact OE1-NE 3.97Å; E387-R390 PolarHBondContact OE1-NE 2.9Å; E387-R390 IonicContact OE1-NH2 2.64Å; E387-R390 IonicContact OE2-NE 3.67Å; S388-R390 VanDerWaalsContact C-N 3.35Å; S388-R390 PolarHBondContact O-N 3.11Å; R390-E441 IonicContact CZ-OE1 3.62Å; R390-E441 IonicContact NH1-OE1 3.81Å; R390-E441 IonicContact NH2-OE1 3.71Å; R390-E441 PolarHBondContact NH2-OE1 2.79Å; R390-V445 HydrophobicContact CG-CG1 3.82Å; R390-V445 HydrophobicContact CG-CG2 4.12Å; R390-E449 IonicContact NH1-OE1 3.29Å; R390-E449 PolarHBondContact NH1-OE1 2.66Å; R390-E449 IonicContact NH1-OE2 3.08Å
391I85.9Confident91.5Very high68 Ų6827.8 Ų27.835%0.34913%0.13SC..Hα-helixtrans-86-50.9-171.4-52.7149.5000110.9L331 E387 S388L331-I391 HydrophobicContact CB-CD1 3.35Å; L331-I391 HydrophobicContact CB-CG1 4.35Å; L331-I391 HydrophobicContact CD1-CD1 4.02Å; L331-I391 HydrophobicContact CD2-CD1 3.9Å; L331-I391 HydrophobicContact CG-CD1 3.9Å; L331-I391 WeakPolarHBondContact O-CD1 3.45Å; E387-I391 VanDerWaalsContact O-CD1 3.31Å; E387-I391 WeakPolarHBondContact O-CD1 3.43Å; E387-I391 WeakPolarHBondContact O-CG1 3.4Å; E387-I391 PolarHBondContact O-N 3.07Å; S388-I391 PolarHBondContact O-N 3.17Å
392H86.9Confident91.5Very high23 Ų2332.9 Ų32.911%0.10615%0.152CC..  trans-97.7110.7-173.4-59.2-63.3000110.3D335 L338 S388 E394 T395 R396D335-H392 PolarHBondContact N-NE2 3.1Å; L338-H392 HydrophobicContact CD1-CB 3.87Å; S388-H392 PolarHBondContact O-N 2.98Å; H392-E394 VanDerWaalsContact C-N 3.28Å; H392-E394 PolarHBondContact O-N 3.05Å; H392-T395 WeakPolarHBondContact CB-OG1 3.48Å; H392-T395 PolarHBondContact O-N 3.03Å; H392-R396 PolarHBondContact O-N 2.73Å; H392-R396 VanDerWaalsContact O-N 3.07Å
393R89.3Confident91.6Very high107 Ų10732.9 Ų32.940%0.40415%0.152SC..Hα-helixtrans-61.3-39.3-179.3-177.8-174.273.4139.13.5111.6R396 K397R393-R396 PolarHBondContact O-N 3.39Å; R393-K397 WeakPolarHBondContact O-CG 3.46Å; R393-K397 PolarHBondContact O-N 3.41Å
394E90.1Very high91.6Very high46 Ų4629.7 Ų29.722%0.21514%0.135CC..Hα-helixtrans-64.4-48.7-178.4-67.462.5-139.900109.8V352 M354 H392 R396 K397 F398V352-E394 HydrophobicContact CG2-CG 4.13Å; M354-E394 VanDerWaalsContact CE-C 3.47Å; M354-E394 HydrophobicContact CE-CB 3.61Å; H392-E394 VanDerWaalsContact C-N 3.28Å; H392-E394 PolarHBondContact O-N 3.05Å; E394-R396 PolarHBondContact O-N 2.86Å; E394-K397 PolarHBondContact O-N 2.86Å; E394-F398 WeakPolarHBondContact O-CB 3.39Å; E394-F398 PolarHBondContact O-N 3.32Å
395T91.4Very high91.4Very high0 Ų032.4 Ų32.40%015%0.153CC..Hα-helixtrans-53.9-50.2171.6-56.90000111.6V357 H392 K397 F398 L399V357-T395 HydrophobicContact CG1-CG2 3.95Å; V357-T395 HydrophobicContact CG2-CG2 4.19Å; H392-T395 WeakPolarHBondContact CB-OG1 3.48Å; H392-T395 PolarHBondContact O-N 3.03Å; T395-K397 PolarHBondContact O-N 3.41Å; T395-F398 PolarHBondContact O-N 2.98Å; T395-L399 HydrophobicContact CG2-CD1 3.69Å; T395-L399 HydrophobicContact CG2-CG 4.28Å; T395-L399 WeakPolarHBondContact O-CB 3.45Å; T395-L399 WeakPolarHBondContact O-CG 3.29Å; T395-L399 PolarHBondContact O-N 2.84Å
396R93Very high90.9Very high22 Ų2235.9 Ų35.98%0.08318%0.176CC..Hα-helixtrans-60.1-45.7-179.2-174.6174.557.8-109.66.8112.4S389 H392 R393 E394 R400 L446 Y482S389-R396 WeakPolarHBondContact O-CB 3.38Å; S389-R396 WeakPolarHBondContact O-CD 3.46Å; S389-R396 PolarHBondContact O-NH1 3.21Å; H392-R396 PolarHBondContact O-N 2.73Å; H392-R396 VanDerWaalsContact O-N 3.07Å; R393-R396 PolarHBondContact O-N 3.39Å; E394-R396 PolarHBondContact O-N 2.86Å; R396-R400 WeakPolarHBondContact O-CB 3.49Å; R396-R400 PolarHBondContact O-N 2.83Å; R396-L446 HydrophobicContact CG-CD2 4.27Å; R396-Y482 VanDerWaalsContact CZ-CE1 3.47Å
397K91.8Very high90.3Very high34 Ų3436.2 Ų36.215%0.14818%0.177CC..Hα-helixtrans-67.7-40.8179.8-74.1-172.4177.7-153.50111.7Y349 M350 R393 E394 T395 R400 S401 E486Y349-K397 HydrophobicContact CE1-CB 3.61Å; M350-K397 HydrophobicContact SD-CD 3.63Å; R393-K397 WeakPolarHBondContact O-CG 3.46Å; R393-K397 PolarHBondContact O-N 3.41Å; E394-K397 PolarHBondContact O-N 2.86Å; T395-K397 PolarHBondContact O-N 3.41Å; K397-R400 PolarHBondContact O-N 3.34Å; K397-S401 PolarHBondContact O-N 2.98Å; K397-E486 WeakPolarHBondContact CD-OE1 3.32Å; K397-E486 WeakPolarHBondContact CE-OE1 3.44Å; K397-E486 IonicContact NZ-OE1 2.84Å; K397-E486 PolarHBondContact NZ-OE1 2.85Å
398F94Very high89.8Confident4 Ų442.5 Ų42.52%0.01820%0.198CC..Hα-helixtrans-60.1-53.4174.4175.8-103.6000111.2I347 Y349 M354 V357 N358 E394 T395 R400 S401 K402I347-F398 HydrophobicContact CG2-CE2 3.71Å; I347-F398 HydrophobicContact CG2-CZ 3.89Å; Y349-F398 HydrophobicContact CD1-CB 3.88Å; Y349-F398 HydrophobicContact CD2-CD2 4.03Å; Y349-F398 HydrophobicContact CE1-CB 4.36Å; Y349-F398 HydrophobicContact CG-CB 4.05Å; Y349-F398 AromaticContact CG-CD2 3.84Å; Y349-F398 HydrophobicContact CG-CD2 3.84Å; Y349-F398 HydrophobicContact CG-CG 4.44Å; M354-F398 HydrophobicContact CB-CD1 4.11Å; M354-F398 HydrophobicContact CB-CD2 4.01Å; M354-F398 HydrophobicContact CB-CE1 3.99Å; M354-F398 HydrophobicContact CB-CE2 3.87Å; M354-F398 HydrophobicContact CB-CG 4.11Å; M354-F398 HydrophobicContact CB-CZ 3.87Å; M354-F398 HydrophobicContact CE-CB 4.11Å; M354-F398 HydrophobicContact CG-CB 4.17Å; M354-F398 HydrophobicContact CG-CD1 4.13Å; M354-F398 HydrophobicContact CG-CD2 3.79Å; M354-F398 HydrophobicContact CG-CE2 4.17Å; M354-F398 HydrophobicContact CG-CG 3.75Å; M354-F398 HydrophobicContact SD-CB 3.88Å; M354-F398 HydrophobicContact SD-CD1 4.05Å; M354-F398 HydrophobicContact SD-CG 3.9Å; V357-F398 HydrophobicContact CB-CD1 4.4Å; V357-F398 HydrophobicContact CB-CE1 4.45Å; V357-F398 HydrophobicContact CG1-CD1 3.79Å; V357-F398 HydrophobicContact CG1-CE1 4.08Å; N358-F398 HydrophobicContact CB-CE1 4.13Å; N358-F398 HydrophobicContact CB-CZ 4Å; E394-F398 WeakPolarHBondContact O-CB 3.39Å; E394-F398 PolarHBondContact O-N 3.32Å; T395-F398 PolarHBondContact O-N 2.98Å; F398-R400 VanDerWaalsContact C-N 3.33Å; F398-R400 PolarHBondContact O-N 3.36Å; F398-S401 WeakPolarHBondContact O-CB 3.28Å; F398-S401 PolarHBondContact O-N 3.47Å; F398-S401 PolarHBondContact O-OG 2.88Å; F398-K402 HydrophobicContact CE1-CG 4.37Å; F398-K402 HydrophobicContact CE2-CG 4.33Å; F398-K402 HydrophobicContact CZ-CG 4.14Å; F398-K402 PolarHBondContact O-N 3.24Å; F398-K402 VanDerWaalsContact O-N 3.17Å
399L95.3Very high89Confident0 Ų045.5 Ų45.50%021%0.214CC..Hα-helixtrans-61.8-39.9178.3-70.1174.4000112.1V357 L361 L385 S389 T395 S401 K402 V403 F442 L446V357-L399 HydrophobicContact CG1-CD1 4.26Å; V357-L399 HydrophobicContact CG1-CD2 3.75Å; V357-L399 HydrophobicContact CG1-CG 3.92Å; L361-L399 HydrophobicContact CB-CD2 4.23Å; L361-L399 HydrophobicContact CD1-CD2 4.03Å; L361-L399 HydrophobicContact CD2-CD2 4.01Å; L361-L399 HydrophobicContact CG-CD2 4.32Å; L385-L399 HydrophobicContact CB-CD1 4.31Å; L385-L399 HydrophobicContact CD2-CD1 3.94Å; L385-L399 HydrophobicContact CD2-CD2 4.2Å; S389-L399 VanDerWaalsContact OG-CD1 3.28Å; S389-L399 WeakPolarHBondContact OG-CD1 3.3Å; T395-L399 HydrophobicContact CG2-CD1 3.69Å; T395-L399 HydrophobicContact CG2-CG 4.28Å; T395-L399 WeakPolarHBondContact O-CB 3.45Å; T395-L399 WeakPolarHBondContact O-CG 3.29Å; T395-L399 PolarHBondContact O-N 2.84Å; L399-S401 VanDerWaalsContact C-N 3.31Å; L399-S401 PolarHBondContact O-N 2.97Å; L399-K402 PolarHBondContact O-N 3.22Å; L399-V403 VanDerWaalsContact O-CB 3.3Å; L399-V403 WeakPolarHBondContact O-CB 3.41Å; L399-V403 VanDerWaalsContact O-CG2 3.28Å; L399-V403 WeakPolarHBondContact O-CG2 3.49Å; L399-V403 PolarHBondContact O-N 3.35Å; L399-F442 HydrophobicContact CD1-CE2 4.29Å; L399-F442 HydrophobicContact CD1-CZ 4.5Å; L399-L446 HydrophobicContact CB-CD1 4.5Å; L399-L446 HydrophobicContact CB-CD2 3.71Å
400R93.9Very high88.1Confident19 Ų1946.3 Ų46.37%0.07222%0.219CC..Hα-helixtrans-57.5-43.7172.3175.3-177.3176.568.916.8111.5R396 K397 F398 K402 L404 L446 R453 S488R396-R400 WeakPolarHBondContact O-CB 3.49Å; R396-R400 PolarHBondContact O-N 2.83Å; K397-R400 PolarHBondContact O-N 3.34Å; F398-R400 VanDerWaalsContact C-N 3.33Å; F398-R400 PolarHBondContact O-N 3.36Å; R400-K402 VanDerWaalsContact C-N 3.29Å; R400-K402 PolarHBondContact O-N 3.48Å; R400-L404 CarbonylContact O-C 3.06Å; R400-L404 VanDerWaalsContact O-CA 3.29Å; R400-L404 WeakPolarHBondContact O-CA 3.47Å; R400-L404 PolarHBondContact O-N 3.4Å; R400-L404 VanDerWaalsContact O-O 3.12Å; R400-L446 PolarHBondContact NH1-O 3.45Å; R400-R453 VanDerWaalsContact NH1-CD 3.29Å; R400-S488 VanDerWaalsContact NH2-CB 3.35Å
401S92.8Very high87.5Confident47 Ų4751 Ų5133%0.32924%0.242SC..Hα-helixtrans-65.3-31.6-18078.10000113.4K397 F398 L399K397-S401 PolarHBondContact O-N 2.98Å; F398-S401 WeakPolarHBondContact O-CB 3.28Å; F398-S401 PolarHBondContact O-N 3.47Å; F398-S401 PolarHBondContact O-OG 2.88Å; L399-S401 VanDerWaalsContact C-N 3.31Å; L399-S401 PolarHBondContact O-N 2.97Å
402K93.1Very high87.4Confident108 Ų10851.9 Ų51.947%0.4725%0.247SC..Hα-helixtrans-85.6-45.5179.6-65.4-73.7-174163.50112.9L361 F398 L399 R400L361-K402 HydrophobicContact CD2-CB 3.75Å; L361-K402 HydrophobicContact CD2-CG 4.24Å; F398-K402 HydrophobicContact CE1-CG 4.37Å; F398-K402 HydrophobicContact CE2-CG 4.33Å; F398-K402 HydrophobicContact CZ-CG 4.14Å; F398-K402 PolarHBondContact O-N 3.24Å; F398-K402 VanDerWaalsContact O-N 3.17Å; L399-K402 PolarHBondContact O-N 3.22Å; R400-K402 VanDerWaalsContact C-N 3.29Å; R400-K402 PolarHBondContact O-N 3.48Å
403V94.1Very high87.3Confident1 Ų156.9 Ų56.91%0.00627%0.265CS..Hα-helixtrans-84.8-42.5-174.5-177.60000111.7L361 L399 P405 L420 R421 L424 F442 L443 L446L361-V403 HydrophobicContact CD1-CG2 3.93Å; L361-V403 HydrophobicContact CD2-CG2 4.48Å; L399-V403 VanDerWaalsContact O-CB 3.3Å; L399-V403 WeakPolarHBondContact O-CB 3.41Å; L399-V403 VanDerWaalsContact O-CG2 3.28Å; L399-V403 WeakPolarHBondContact O-CG2 3.49Å; L399-V403 PolarHBondContact O-N 3.35Å; V403-P405 WeakPolarHBondContact O-CD 3.45Å; V403-L420 HydrophobicContact CG2-CD2 3.91Å; V403-R421 WeakPolarHBondContact O-CB 3.23Å; V403-L424 HydrophobicContact CG1-CD1 3.63Å; V403-F442 HydrophobicContact CG1-CE1 4.37Å; V403-F442 HydrophobicContact CG2-CE1 4.2Å; V403-F442 HydrophobicContact CG2-CZ 4.29Å; V403-L443 HydrophobicContact CG1-CD2 3.96Å; V403-L446 HydrophobicContact CB-CD1 3.87Å; V403-L446 HydrophobicContact CG1-CD1 4.05Å; V403-L446 HydrophobicContact CG2-CD1 4.13Å
404L91.9Very high87.3Confident3 Ų352 Ų522%0.01625%0.247CC..SBendtrans-124.160-174.7-63.1-179.8000111.3R400 R421 L443 L446 Y457R400-L404 CarbonylContact O-C 3.06Å; R400-L404 VanDerWaalsContact O-CA 3.29Å; R400-L404 WeakPolarHBondContact O-CA 3.47Å; R400-L404 PolarHBondContact O-N 3.4Å; R400-L404 VanDerWaalsContact O-O 3.12Å; L404-R421 HydrophobicContact CD2-CB 4.35Å; L404-R421 HydrophobicContact CD2-CG 3.73Å; L404-L443 HydrophobicContact CD1-CD2 4.27Å; L404-L443 HydrophobicContact CD2-CD2 4.04Å; L404-L443 HydrophobicContact CG-CD2 4.28Å; L404-L446 HydrophobicContact CD1-CB 3.97Å; L404-Y457 HydrophobicContact CB-CD1 4.23Å; L404-Y457 HydrophobicContact CB-CE1 4.25Å; L404-Y457 HydrophobicContact CD1-CG 4.48Å; L404-Y457 HydrophobicContact CD2-CD1 4.12Å; L404-Y457 HydrophobicContact CD2-CG 4.21Å
405P88.2Confident87.3Confident62 Ų6251.9 Ų51.940%0.40325%0.246SC..PPolyproline II helixtrans-59.3155.2177.927.4-35.1000110.9V403 L407 Y457V403-P405 WeakPolarHBondContact O-CD 3.45Å; P405-L407 PolarHBondContact O-N 3.38Å; P405-Y457 WeakPolarHBondContact O-CE1 3.38Å
406P85.1Confident87.1Confident75 Ų7556.5 Ų56.549%0.48727%0.27SS..PPolyproline II helixtrans-49.6130.9177.4-26.434.5000111.7R408 T490P406-R408 PolarHBondContact O-N 3.16Å; P406-T490 HydrophobicContact CB-CG2 3.54Å
407L80.4Confident86.8Confident10 Ų1057.2 Ų57.25%0.05228%0.284CS..PPolyproline II helixtrans-66124.9-172.3-67.4178000110.5P405 K456 Y457 T490 Y493P405-L407 PolarHBondContact O-N 3.38Å; L407-K456 HydrophobicContact CD1-CD 4.04Å; L407-K456 HydrophobicContact CD1-CG 3.5Å; L407-K456 VanDerWaalsContact CD1-CG 3.5Å; L407-K456 WeakPolarHBondContact CD1-O 3.43Å; L407-Y457 HydrophobicContact CD1-CD1 4.18Å; L407-Y457 HydrophobicContact CD1-CE1 4.23Å; L407-Y457 HydrophobicContact CD2-CD1 3.62Å; L407-Y457 HydrophobicContact CD2-CE1 3.74Å; L407-Y457 HydrophobicContact CG-CD1 3.83Å; L407-Y457 HydrophobicContact CG-CE1 3.58Å; L407-T490 WeakPolarHBondContact O-CB 3.24Å; L407-T490 VanDerWaalsContact O-CG2 3.25Å; L407-T490 WeakPolarHBondContact O-CG2 3.41Å; L407-T490 PolarHBondContact O-OG1 2.92Å; L407-Y493 HydrophobicContact CB-CD2 4.27Å; L407-Y493 HydrophobicContact CD1-CD2 3.85Å; L407-Y493 HydrophobicContact CD1-CE2 3.82Å
408R76.8Confident86.7Confident191 Ų19160.5 Ų60.572%0.72131%0.311SS*.  trans-113-43.2168-64-174.5-174174.5-0.6111.1P406 V410 E492P406-R408 PolarHBondContact O-N 3.16Å; R408-V410 PolarHBondContact O-N 3.39Å; R408-E492 WeakPolarHBondContact CA-OE2 3.16Å; R408-E492 WeakPolarHBondContact CB-OE2 3.37Å; R408-E492 WeakPolarHBondContact CG-OE2 3.3Å
409D74.4Confident86.6Confident69 Ų6962.8 Ų62.837%0.36933%0.331SS..  trans-83.8109.4172.9-175.38.6000111.3K411 N412D409-K411 PolarHBondContact OD1-N 2.65Å; D409-N412 PolarHBondContact OD1-N 3.15Å; D409-N412 PolarHBondContact OD2-ND2 3.13Å
410V72Confident86.5Confident18 Ų1863.5 Ų63.511%0.10934%0.335CS..  trans-112.64.9174.2-63.20000112.8R408 Y493 A496 I500 L507R408-V410 PolarHBondContact O-N 3.39Å; V410-Y493 HydrophobicContact CG1-CD2 3.78Å; V410-Y493 HydrophobicContact CG1-CE2 4.47Å; V410-A496 HydrophobicContact CG2-CB 3.87Å; V410-I500 HydrophobicContact CB-CD1 4.31Å; V410-I500 HydrophobicContact CG1-CD1 4.22Å; V410-L507 PolarHBondContact O-N 3.12Å; V410-L507 VanDerWaalsContact O-N 3.1Å
411K77.1Confident86.5Confident165 Ų16564.2 Ų64.272%0.71734%0.338SS*.SBendtrans-94.6-34.7-176.2-64.6-172.2179-172.40112.2D409 V506D409-K411 PolarHBondContact OD1-N 2.65Å; K411-V506 WeakPolarHBondContact O-CG1 3.44Å
412N83.4Confident86.5Confident85 Ų8562.5 Ų62.546%0.45533%0.325SS..SBendtrans-90.3147.5178-63.7-54.3000111.4D409D409-N412 PolarHBondContact OD1-N 3.15Å; D409-N412 PolarHBondContact OD2-ND2 3.13Å
413R85.9Confident86.5Confident128 Ų12858.5 Ų58.548%0.48331%0.307SS..  trans-61144.6175.6-64.2-174.3-176.2-177.5-1111.2E415 I416 V506R413-E415 WeakPolarHBondContact CB-OE1 3.11Å; R413-E415 WeakPolarHBondContact CD-OE1 3.33Å; R413-E415 IonicContact NH1-OE1 3.53Å; R413-E415 PolarHBondContact O-N 3.27Å; R413-E415 VanDerWaalsContact O-N 3.12Å; R413-I416 HydrophobicContact CB-CD1 3.94Å; R413-I416 HydrophobicContact CB-CG1 4.07Å; R413-I416 HydrophobicContact CG-CD1 4.24Å; R413-I416 PolarHBondContact O-N 2.75Å; R413-V506 VanDerWaalsContact CA-CG2 3.47Å; R413-V506 HydrophobicContact CB-CG2 4.13Å; R413-V506 HydrophobicContact CG-CG2 3.67Å
414P88.2Confident86.5Confident6 Ų658.4 Ų58.44%0.03931%0.307CS..THydrogen-bonded Turntrans-53.9-33.3-178.9-30.538.3000114.9N422 V425 T458 T504P414-N422 WeakPolarHBondContact O-CA 3.34Å; P414-N422 PolarHBondContact O-ND2 3.48Å; P414-V425 HydrophobicContact CB-CG1 4.06Å; P414-T458 WeakPolarHBondContact CB-O 3.3Å; P414-T504 VanDerWaalsContact CD-O 3.26Å; P414-T504 WeakPolarHBondContact CD-O 3.03Å
415E89.5Confident86.6Confident43 Ų4358.3 Ų58.320%0.20131%0.306CS..THydrogen-bonded Turntrans-79.3-13.4178.369-83.8-173.500114.5R413 V425 R426 N462R413-E415 WeakPolarHBondContact CB-OE1 3.11Å; R413-E415 WeakPolarHBondContact CD-OE1 3.33Å; R413-E415 IonicContact NH1-OE1 3.53Å; R413-E415 PolarHBondContact O-N 3.27Å; R413-E415 VanDerWaalsContact O-N 3.12Å; E415-V425 HydrophobicContact CB-CG1 4Å; E415-R426 HydrophobicContact CB-CG 3.75Å; E415-R426 VanDerWaalsContact O-CD 3.24Å; E415-R426 WeakPolarHBondContact O-CD 3.26Å; E415-R426 WeakPolarHBondContact O-CG 3.48Å; E415-N462 PolarHBondContact OE2-ND2 3.28Å; E415-N462 VanDerWaalsContact OE2-ND2 3.11Å
416I88.1Confident86.9Confident96 Ų9661.3 Ų61.349%0.49231%0.31SS..SBendtrans-95.3121.9-177.2-59.8177.3000109.8R413 N422R413-I416 HydrophobicContact CB-CD1 3.94Å; R413-I416 HydrophobicContact CB-CG1 4.07Å; R413-I416 HydrophobicContact CG-CD1 4.24Å; R413-I416 PolarHBondContact O-N 2.75Å; I416-N422 PolarHBondContact O-ND2 2.84Å
417G87.6Confident87.3Confident37 Ų3758.3 Ų58.338%0.38129%0.29SS..SBendtrans140.1173.7176.600000113.4N422G417-N422 WeakPolarHBondContact CA-OD1 3.3Å; G417-N422 WeakPolarHBondContact O-CB 3.35Å
418S89Confident87.9Confident103 Ų10358.5 Ų58.572%0.7229%0.29SS*.SBendtrans-101.6-3.4179.457.30000113.8K423S418-K423 WeakPolarHBondContact O-CE 3.41Å
419A91.7Very high88.6Confident53 Ų5353.7 Ų53.744%0.43828%0.282SS..SBendtrans-70.8155.9177.100000111R421 N422 K423A419-R421 PolarHBondContact O-N 2.91Å; A419-N422 WeakPolarHBondContact CB-OD1 3.27Å; A419-N422 PolarHBondContact N-OD1 3.37Å; A419-N422 WeakPolarHBondContact O-CB 3.25Å; A419-N422 PolarHBondContact O-N 2.98Å; A419-K423 PolarHBondContact O-N 3.48Å; A419-K423 VanDerWaalsContact O-N 3.09Å
420L92.7Very high89.4Confident14 Ų1453.7 Ų53.77%0.07328%0.28CS..Hα-helixtrans-55.5-39-179-17455.8000112.7L361 M364 E365 L368 V403 N422 K423 L424L361-L420 HydrophobicContact CD1-CD2 3.71Å; L361-L420 HydrophobicContact CG-CD2 4.21Å; M364-L420 HydrophobicContact CE-CD1 3.93Å; M364-L420 HydrophobicContact CE-CD2 4.06Å; M364-L420 HydrophobicContact CE-CG 4.41Å; E365-L420 HydrophobicContact CB-CD1 4.16Å; E365-L420 HydrophobicContact CG-CD1 4.12Å; L368-L420 HydrophobicContact CD2-CD1 3.91Å; V403-L420 HydrophobicContact CG2-CD2 3.91Å; L420-N422 PolarHBondContact O-N 3.12Å; L420-K423 PolarHBondContact O-N 3.02Å; L420-L424 HydrophobicContact CD1-CD1 4.31Å; L420-L424 HydrophobicContact CD1-CG 4.29Å; L420-L424 HydrophobicContact CG-CD1 4.11Å; L420-L424 WeakPolarHBondContact O-CG 3.39Å; L420-L424 PolarHBondContact O-N 3.05Å
421R93.6Very high90.3Very high34 Ų3460.7 Ų60.713%0.12832%0.315CS..Hα-helixtrans-49.7-54.7169.8-175.9-169.479-173.86.2111.6V403 L404 A419 K423 L424 V425V403-R421 WeakPolarHBondContact O-CB 3.23Å; L404-R421 HydrophobicContact CD2-CB 4.35Å; L404-R421 HydrophobicContact CD2-CG 3.73Å; A419-R421 PolarHBondContact O-N 2.91Å; R421-K423 VanDerWaalsContact C-N 3.33Å; R421-K423 PolarHBondContact O-N 2.73Å; R421-L424 PolarHBondContact O-N 3.47Å; R421-V425 HydrophobicContact CG-CG2 4.28Å; R421-V425 VanDerWaalsContact O-CG2 3.27Å; R421-V425 WeakPolarHBondContact O-CG2 3.45Å; R421-V425 PolarHBondContact O-N 3.46Å
422N92.8Very high90.9Very high11 Ų1155 Ų556%0.05929%0.292CS..Hα-helixtrans-65.2-39.7-174.4-51.7116.1000111.2P414 I416 G417 A419 L420 R426P414-N422 WeakPolarHBondContact O-CA 3.34Å; P414-N422 PolarHBondContact O-ND2 3.48Å; I416-N422 PolarHBondContact O-ND2 2.84Å; G417-N422 WeakPolarHBondContact CA-OD1 3.3Å; G417-N422 WeakPolarHBondContact O-CB 3.35Å; A419-N422 WeakPolarHBondContact CB-OD1 3.27Å; A419-N422 PolarHBondContact N-OD1 3.37Å; A419-N422 WeakPolarHBondContact O-CB 3.25Å; A419-N422 PolarHBondContact O-N 2.98Å; L420-N422 PolarHBondContact O-N 3.12Å; N422-R426 WeakPolarHBondContact O-CG 3.4Å; N422-R426 PolarHBondContact O-N 2.94Å; N422-R426 VanDerWaalsContact O-N 3.07Å; N422-R426 PolarHBondContact O-NE 3.03Å
423K94.1Very high91.3Very high24 Ų2454.3 Ų54.310%0.10429%0.291CS..Hα-helixtrans-60.8-46.2175.7-59.7174.6-175.8169.90111.1E365 L368 D369 S418 A419 L420 R421 R426 L427E365-K423 IonicContact OE1-NZ 2.72Å; E365-K423 PolarHBondContact OE1-NZ 3.17Å; L368-K423 HydrophobicContact CD2-CB 3.48Å; L368-K423 VanDerWaalsContact CD2-CB 3.48Å; L368-K423 HydrophobicContact CD2-CD 4.02Å; L368-K423 HydrophobicContact CD2-CG 4.38Å; L368-K423 HydrophobicContact CG-CB 4.15Å; L368-K423 HydrophobicContact CG-CD 4.36Å; D369-K423 WeakPolarHBondContact OD1-CD 3.39Å; D369-K423 WeakPolarHBondContact OD1-CE 3.46Å; D369-K423 IonicContact OD1-NZ 2.98Å; D369-K423 PolarHBondContact OD1-NZ 3.14Å; D369-K423 IonicContact OD2-NZ 2.8Å; D369-K423 PolarHBondContact OD2-NZ 3.1Å; S418-K423 WeakPolarHBondContact O-CE 3.41Å; A419-K423 PolarHBondContact O-N 3.48Å; A419-K423 VanDerWaalsContact O-N 3.09Å; L420-K423 PolarHBondContact O-N 3.02Å; R421-K423 VanDerWaalsContact C-N 3.33Å; R421-K423 PolarHBondContact O-N 2.73Å; K423-R426 PolarHBondContact O-N 3.29Å; K423-L427 PolarHBondContact O-N 3.03Å
424L94.6Very high91.5Very high0 Ų051.3 Ų51.30%029%0.285CS..Hα-helixtrans-69.1-39.8178.9-69.3171.6000112.8M364 L368 L382 V403 L420 R421 R426 L427 M428 F442 L443M364-L424 HydrophobicContact CE-CD1 4.46Å; M364-L424 HydrophobicContact CE-CD2 4.46Å; L368-L424 HydrophobicContact CD2-CD2 4.15Å; L368-L424 HydrophobicContact CD2-CG 4.42Å; L382-L424 HydrophobicContact CD2-CD2 4.1Å; V403-L424 HydrophobicContact CG1-CD1 3.63Å; L420-L424 HydrophobicContact CD1-CD1 4.31Å; L420-L424 HydrophobicContact CD1-CG 4.29Å; L420-L424 HydrophobicContact CG-CD1 4.11Å; L420-L424 WeakPolarHBondContact O-CG 3.39Å; L420-L424 PolarHBondContact O-N 3.05Å; R421-L424 PolarHBondContact O-N 3.47Å; L424-R426 VanDerWaalsContact C-N 3.3Å; L424-R426 PolarHBondContact O-N 3.45Å; L424-L427 HydrophobicContact CD2-CD1 4.4Å; L424-L427 WeakPolarHBondContact O-CB 3.49Å; L424-L427 PolarHBondContact O-N 3.22Å; L424-M428 PolarHBondContact O-N 3.5Å; L424-F442 HydrophobicContact CD1-CD1 3.97Å; L424-F442 HydrophobicContact CD1-CE1 3.91Å; L424-L443 HydrophobicContact CB-CD1 4.08Å; L424-L443 HydrophobicContact CB-CD2 4.31Å; L424-L443 HydrophobicContact CB-CG 4.4Å; L424-L443 HydrophobicContact CD1-CD2 4Å
425V94.4Very high91.7Very high0 Ų051 Ų510%028%0.283CS..Hα-helixtrans-62.6-38.3176.2174.50000111P414 E415 R421 L427 M428 L443 T458 N462P414-V425 HydrophobicContact CB-CG1 4.06Å; E415-V425 HydrophobicContact CB-CG1 4Å; R421-V425 HydrophobicContact CG-CG2 4.28Å; R421-V425 VanDerWaalsContact O-CG2 3.27Å; R421-V425 WeakPolarHBondContact O-CG2 3.45Å; R421-V425 PolarHBondContact O-N 3.46Å; V425-L427 PolarHBondContact O-N 3.41Å; V425-M428 HydrophobicContact CG1-SD 4.44Å; V425-M428 HydrophobicContact CG2-SD 4.42Å; V425-M428 WeakPolarHBondContact O-CB 3.35Å; V425-M428 PolarHBondContact O-N 2.86Å; V425-M428 VanDerWaalsContact O-N 3.09Å; V425-L443 HydrophobicContact CG2-CD1 4Å; V425-T458 HydrophobicContact CG2-CG2 4.13Å; V425-N462 HydrophobicContact CG1-CB 4.06Å; V425-N462 VanDerWaalsContact CG1-ND2 3.33Å; V425-N462 WeakPolarHBondContact CG1-ND2 3.26Å
426R93.8Very high91.9Very high125 Ų12552.2 Ų52.247%0.47229%0.288SS..Hα-helixtrans-60.1-31.5172.3-77.6-176.6-71.5153.2-6.1113.3E415 N422 K423 L424 M428 T429E415-R426 HydrophobicContact CB-CG 3.75Å; E415-R426 VanDerWaalsContact O-CD 3.24Å; E415-R426 WeakPolarHBondContact O-CD 3.26Å; E415-R426 WeakPolarHBondContact O-CG 3.48Å; N422-R426 WeakPolarHBondContact O-CG 3.4Å; N422-R426 PolarHBondContact O-N 2.94Å; N422-R426 VanDerWaalsContact O-N 3.07Å; N422-R426 PolarHBondContact O-NE 3.03Å; K423-R426 PolarHBondContact O-N 3.29Å; L424-R426 VanDerWaalsContact C-N 3.3Å; L424-R426 PolarHBondContact O-N 3.45Å; R426-M428 VanDerWaalsContact C-N 3.3Å; R426-M428 PolarHBondContact O-N 3.29Å; R426-T429 PolarHBondContact O-OG1 2.96Å
427L93.6Very high92Very high13 Ų1350.9 Ų50.97%0.06828%0.282CS..Hα-helixtrans-71.1-23.9176.8-68-175.9000113.1L368 L374 L378 K423 L424 V425 T429 H430 V435 K436 A439L368-L427 HydrophobicContact CD1-CD1 3.56Å; L368-L427 HydrophobicContact CD1-CD2 4.31Å; L368-L427 HydrophobicContact CD1-CG 4.11Å; L374-L427 HydrophobicContact CD1-CD2 4.02Å; L378-L427 HydrophobicContact CD2-CD1 3.54Å; K423-L427 PolarHBondContact O-N 3.03Å; L424-L427 HydrophobicContact CD2-CD1 4.4Å; L424-L427 WeakPolarHBondContact O-CB 3.49Å; L424-L427 PolarHBondContact O-N 3.22Å; V425-L427 PolarHBondContact O-N 3.41Å; L427-T429 PolarHBondContact O-N 3.41Å; L427-T429 VanDerWaalsContact O-N 3.11Å; L427-H430 WeakPolarHBondContact O-CB 3.12Å; L427-H430 PolarHBondContact O-N 3.23Å; L427-V435 HydrophobicContact CB-CG1 4.45Å; L427-V435 HydrophobicContact CD1-CG1 4.23Å; L427-V435 HydrophobicContact CD2-CG1 4.1Å; L427-K436 VanDerWaalsContact O-CA 3.27Å; L427-K436 WeakPolarHBondContact O-CA 3.4Å; L427-K436 VanDerWaalsContact O-CB 3.3Å; L427-K436 WeakPolarHBondContact O-CB 3.47Å; L427-A439 HydrophobicContact CB-CB 3.69Å; L427-A439 HydrophobicContact CD1-CB 4.29Å
428M93.5Very high92.3Very high14 Ų1450.3 Ų50.37%0.06927%0.271CS..THydrogen-bonded Turntrans-63.3-19.3179.2-60.2176.46500113L424 V425 R426 A440 L443 F454 T458 N462L424-M428 PolarHBondContact O-N 3.5Å; V425-M428 HydrophobicContact CG1-SD 4.44Å; V425-M428 HydrophobicContact CG2-SD 4.42Å; V425-M428 WeakPolarHBondContact O-CB 3.35Å; V425-M428 PolarHBondContact O-N 2.86Å; V425-M428 VanDerWaalsContact O-N 3.09Å; R426-M428 VanDerWaalsContact C-N 3.3Å; R426-M428 PolarHBondContact O-N 3.29Å; M428-A440 HydrophobicContact CE-CB 3.81Å; M428-A440 HydrophobicContact CG-CB 4.09Å; M428-L443 HydrophobicContact CG-CD1 4.48Å; M428-L443 HydrophobicContact SD-CD1 3.78Å; M428-F454 HydrophobicContact CE-CE1 4.11Å; M428-F454 HydrophobicContact CE-CE2 4.08Å; M428-F454 HydrophobicContact CE-CZ 3.39Å; M428-T458 HydrophobicContact CE-CG2 4.29Å; M428-T458 HydrophobicContact SD-CG2 3.87Å; M428-N462 HydrophobicContact CE-CB 4.46Å; M428-N462 WeakPolarHBondContact CE-O 3.18Å; M428-N462 HydrophobicContact SD-CB 4.39Å
429T90.9Very high92.6Very high90 Ų9045.4 Ų45.455%0.55224%0.237SC*.THydrogen-bonded Turntrans-110.920.6175.261.60000112.3R426 L427R426-T429 PolarHBondContact O-OG1 2.96Å; L427-T429 PolarHBondContact O-N 3.41Å; L427-T429 VanDerWaalsContact O-N 3.11Å
430H91.6Very high92.7Very high69 Ų6943 Ų4332%0.31922%0.218SC..  trans-69.3154.8177.4-171-97.5000111.7L427 D432 V435 K436L427-H430 WeakPolarHBondContact O-CB 3.12Å; L427-H430 PolarHBondContact O-N 3.23Å; H430-D432 VanDerWaalsContact ND1-CB 3.34Å; H430-D432 WeakPolarHBondContact ND1-CB 3.28Å; H430-D432 PolarHBondContact ND1-N 3.46Å; H430-V435 HydrophobicContact CB-CG1 4.48Å; H430-K436 HydrophobicContact CB-CB 4.35Å
431I89.6Confident92.8Very high164 Ų16443.6 Ų43.684%0.84122%0.22SC*.SBendtrans-68.4-39.5-176.9-57.8171.8000111.1T433I431-T433 PolarHBondContact O-N 3.11Å
432D91.2Very high92.9Very high45 Ų4542 Ų4224%0.24121%0.214CC..SBendtrans-72.1122.6175.7-170-66.9000110.8K375 H430 D434 V435 K436K375-D432 IonicContact NZ-OD2 3.32Å; H430-D432 VanDerWaalsContact ND1-CB 3.34Å; H430-D432 WeakPolarHBondContact ND1-CB 3.28Å; H430-D432 PolarHBondContact ND1-N 3.46Å; D432-D434 WeakPolarHBondContact OD1-CA 3.34Å; D432-D434 WeakPolarHBondContact OD1-CB 3.32Å; D432-D434 PolarHBondContact OD1-N 3.46Å; D432-V435 HydrophobicContact CB-CB 4.22Å; D432-V435 HydrophobicContact CB-CG2 4.07Å; D432-V435 PolarHBondContact OD1-N 3.29Å; D432-V435 VanDerWaalsContact OD1-N 3.15Å; D432-K436 PolarHBondContact O-N 3.45Å; D432-K436 VanDerWaalsContact O-N 3.1Å
433T90.6Very high93.1Very high71 Ų7141.5 Ų41.544%0.43621%0.211SC..Hα-helixtrans-66.6-36.3-177.452.20000112.8I431 K436 D437I431-T433 PolarHBondContact O-N 3.11Å; T433-K436 WeakPolarHBondContact O-CG 3.39Å; T433-D437 WeakPolarHBondContact O-CB 3.42Å; T433-D437 PolarHBondContact O-N 3.19Å; T433-D437 VanDerWaalsContact O-OD2 3.14Å
434D91.4Very high93.1Very high65 Ų6540.6 Ų40.635%0.34821%0.207SC..Hα-helixtrans-70.7-41-177.2-57.8-24.9000109.8K375 L379 D432 C438K375-D434 WeakPolarHBondContact CE-OD2 3.24Å; K375-D434 IonicContact NZ-OD2 3.98Å; K375-D434 PolarHBondContact NZ-OD2 3.4Å; L379-D434 HydrophobicContact CD1-CB 3.93Å; D432-D434 WeakPolarHBondContact OD1-CA 3.34Å; D432-D434 WeakPolarHBondContact OD1-CB 3.32Å; D432-D434 PolarHBondContact OD1-N 3.46Å; D434-C438 WeakPolarHBondContact O-CB 3.36Å; D434-C438 PolarHBondContact O-N 2.88Å; D434-C438 PolarHBondContact O-SG 3.29Å
435V92.2Very high93Very high1 Ų140.6 Ų40.61%0.00621%0.207CC..Hα-helixtrans-64.6-47.3176.2178.10000111.6L374 K375 L379 L427 H430 D432 A439L374-V435 HydrophobicContact CB-CG2 4.39Å; K375-V435 HydrophobicContact CB-CG2 4.23Å; L379-V435 HydrophobicContact CD2-CG2 4.43Å; L427-V435 HydrophobicContact CB-CG1 4.45Å; L427-V435 HydrophobicContact CD1-CG1 4.23Å; L427-V435 HydrophobicContact CD2-CG1 4.1Å; H430-V435 HydrophobicContact CB-CG1 4.48Å; D432-V435 HydrophobicContact CB-CB 4.22Å; D432-V435 HydrophobicContact CB-CG2 4.07Å; D432-V435 PolarHBondContact OD1-N 3.29Å; D432-V435 VanDerWaalsContact OD1-N 3.15Å; V435-A439 WeakPolarHBondContact O-CB 3.45Å; V435-A439 PolarHBondContact O-N 2.95Å
436K92.6Very high93Very high67 Ų6740.6 Ų40.629%0.29121%0.207SC..Hα-helixtrans-66.2-40.8-177.486.6-172179.8179.80111.6L427 H430 D432 T433 A440L427-K436 VanDerWaalsContact O-CA 3.27Å; L427-K436 WeakPolarHBondContact O-CA 3.4Å; L427-K436 VanDerWaalsContact O-CB 3.3Å; L427-K436 WeakPolarHBondContact O-CB 3.47Å; H430-K436 HydrophobicContact CB-CB 4.35Å; D432-K436 PolarHBondContact O-N 3.45Å; D432-K436 VanDerWaalsContact O-N 3.1Å; T433-K436 WeakPolarHBondContact O-CG 3.39Å; K436-A440 VanDerWaalsContact O-CB 3.3Å; K436-A440 WeakPolarHBondContact O-CB 3.26Å; K436-A440 PolarHBondContact O-N 3.4Å
437D91.8Very high92.9Very high69 Ų6934.6 Ų34.637%0.36919%0.185SC..Hα-helixtrans-71-42.7-176.7-66.2-16.6000109.8T433 A440 E441T433-D437 WeakPolarHBondContact O-CB 3.42Å; T433-D437 PolarHBondContact O-N 3.19Å; T433-D437 VanDerWaalsContact O-OD2 3.14Å; D437-A440 PolarHBondContact O-N 2.94Å; D437-E441 VanDerWaalsContact O-CB 3.26Å; D437-E441 WeakPolarHBondContact O-CB 3.29Å; D437-E441 PolarHBondContact O-N 3.36Å
438C92.9Very high92.7Very high24 Ų2435 Ų3516%0.16219%0.186CC..Hα-helixtrans-66.3-40176.8-65.60000112.8L379 N383 D434 E441 F442L379-C438 HydrophobicContact CD2-CB 3.61Å; N383-C438 PolarHBondContact OD1-SG 2.96Å; N383-C438 VanDerWaalsContact OD1-SG 3.4Å; D434-C438 WeakPolarHBondContact O-CB 3.36Å; D434-C438 PolarHBondContact O-N 2.88Å; D434-C438 PolarHBondContact O-SG 3.29Å; C438-E441 PolarHBondContact O-N 3.05Å; C438-F442 WeakPolarHBondContact O-CB 3.4Å; C438-F442 PolarHBondContact O-N 2.82Å
439A95Very high92.5Very high0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-64.7-43.6176.700000111.8L427 V435 E441 L443L427-A439 HydrophobicContact CB-CB 3.69Å; L427-A439 HydrophobicContact CD1-CB 4.29Å; V435-A439 WeakPolarHBondContact O-CB 3.45Å; V435-A439 PolarHBondContact O-N 2.95Å; A439-E441 VanDerWaalsContact C-N 3.34Å; A439-L443 WeakPolarHBondContact O-CG 3.45Å; A439-L443 PolarHBondContact O-N 2.85Å
440A94.9Very high92.4Very high4 Ų434.6 Ų34.63%0.03318%0.182CC..Hα-helixtrans-64.1-40.9175.600000111.4M428 K436 D437 L443 F444 L466M428-A440 HydrophobicContact CE-CB 3.81Å; M428-A440 HydrophobicContact CG-CB 4.09Å; K436-A440 VanDerWaalsContact O-CB 3.3Å; K436-A440 WeakPolarHBondContact O-CB 3.26Å; K436-A440 PolarHBondContact O-N 3.4Å; D437-A440 PolarHBondContact O-N 2.94Å; A440-L443 PolarHBondContact O-N 3.39Å; A440-F444 WeakPolarHBondContact O-CB 3.44Å; A440-F444 PolarHBondContact O-N 3.41Å; A440-L466 HydrophobicContact CB-CB 3.93Å; A440-L466 HydrophobicContact CB-CD1 4.03Å; A440-L466 HydrophobicContact CB-CD2 3.97Å; A440-L466 HydrophobicContact CB-CG 4.19Å
441E94.3Very high92.1Very high26 Ų2632.1 Ų32.112%0.12117%0.172CC..Hα-helixtrans-61.5-48178.1-168.857.9-146.700112.3T386 R390 D437 C438 A439 L443 F444 V445 R470T386-E441 HydrophobicContact CG2-CG 4.03Å; R390-E441 IonicContact CZ-OE1 3.62Å; R390-E441 IonicContact NH1-OE1 3.81Å; R390-E441 IonicContact NH2-OE1 3.71Å; R390-E441 PolarHBondContact NH2-OE1 2.79Å; D437-E441 VanDerWaalsContact O-CB 3.26Å; D437-E441 WeakPolarHBondContact O-CB 3.29Å; D437-E441 PolarHBondContact O-N 3.36Å; C438-E441 PolarHBondContact O-N 3.05Å; A439-E441 VanDerWaalsContact C-N 3.34Å; E441-L443 VanDerWaalsContact C-N 3.35Å; E441-L443 PolarHBondContact O-N 2.78Å; E441-F444 PolarHBondContact O-N 2.64Å; E441-F444 VanDerWaalsContact O-N 3.17Å; E441-V445 WeakPolarHBondContact O-CG2 3.44Å; E441-V445 PolarHBondContact O-N 3.5Å; E441-R470 IonicContact OE1-CZ 3.25Å; E441-R470 VanDerWaalsContact OE1-CZ 3.23Å; E441-R470 IonicContact OE1-NH1 3.98Å; E441-R470 PolarHBondContact OE1-NH1 3.37Å; E441-R470 IonicContact OE1-NH2 2.71Å; E441-R470 PolarHBondContact OE1-NH2 3.41Å; E441-R470 IonicContact OE2-CZ 3.17Å; E441-R470 IonicContact OE2-NE 3.21Å; E441-R470 IonicContact OE2-NH1 3.71Å; E441-R470 PolarHBondContact OE2-NH1 3.07Å; E441-R470 IonicContact OE2-NH2 2.86Å; E441-R470 PolarHBondContact OE2-NH2 3.44Å
442F96.3Very high91.9Very high0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-55.5-50.8178.2178.5-126.7000111.4M364 L382 L385 T386 L399 V403 L424 C438 F444 V445 L446M364-F442 HydrophobicContact SD-CE1 4.47Å; L382-F442 HydrophobicContact CD2-CB 4.11Å; L382-F442 HydrophobicContact CD2-CD1 3.73Å; L382-F442 HydrophobicContact CD2-CE1 4.35Å; L382-F442 HydrophobicContact CD2-CG 3.99Å; L385-F442 HydrophobicContact CB-CD2 4.45Å; L385-F442 HydrophobicContact CB-CE2 3.79Å; L385-F442 HydrophobicContact CB-CZ 4.29Å; T386-F442 WeakPolarHBondContact OG1-CA 3.44Å; T386-F442 VanDerWaalsContact OG1-CB 3.3Å; T386-F442 WeakPolarHBondContact OG1-CB 3.45Å; T386-F442 VanDerWaalsContact OG1-CD2 3.27Å; T386-F442 WeakPolarHBondContact OG1-CD2 3.5Å; L399-F442 HydrophobicContact CD1-CE2 4.29Å; L399-F442 HydrophobicContact CD1-CZ 4.5Å; V403-F442 HydrophobicContact CG1-CE1 4.37Å; V403-F442 HydrophobicContact CG2-CE1 4.2Å; V403-F442 HydrophobicContact CG2-CZ 4.29Å; L424-F442 HydrophobicContact CD1-CD1 3.97Å; L424-F442 HydrophobicContact CD1-CE1 3.91Å; C438-F442 WeakPolarHBondContact O-CB 3.4Å; C438-F442 PolarHBondContact O-N 2.82Å; F442-F444 VanDerWaalsContact C-N 3.32Å; F442-F444 PolarHBondContact O-N 2.87Å; F442-V445 PolarHBondContact O-N 2.89Å; F442-L446 HydrophobicContact CD1-CD1 4.42Å; F442-L446 HydrophobicContact CD2-CG 4.42Å; F442-L446 HydrophobicContact CE1-CD1 3.91Å; F442-L446 HydrophobicContact CE2-CD1 4.04Å; F442-L446 HydrophobicContact CE2-CD2 4.24Å; F442-L446 HydrophobicContact CE2-CG 4.13Å; F442-L446 HydrophobicContact CZ-CD1 3.71Å; F442-L446 HydrophobicContact CZ-CG 4.32Å; F442-L446 WeakPolarHBondContact O-CG 3.4Å; F442-L446 PolarHBondContact O-N 2.86Å
443L95.7Very high91.7Very high0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-63.9-36.5178.9-68.2-179.1000112.6V403 L404 L424 V425 M428 A439 A440 E441 L446 C447 F454 T458V403-L443 HydrophobicContact CG1-CD2 3.96Å; L404-L443 HydrophobicContact CD1-CD2 4.27Å; L404-L443 HydrophobicContact CD2-CD2 4.04Å; L404-L443 HydrophobicContact CG-CD2 4.28Å; L424-L443 HydrophobicContact CB-CD1 4.08Å; L424-L443 HydrophobicContact CB-CD2 4.31Å; L424-L443 HydrophobicContact CB-CG 4.4Å; L424-L443 HydrophobicContact CD1-CD2 4Å; V425-L443 HydrophobicContact CG2-CD1 4Å; M428-L443 HydrophobicContact CG-CD1 4.48Å; M428-L443 HydrophobicContact SD-CD1 3.78Å; A439-L443 WeakPolarHBondContact O-CG 3.45Å; A439-L443 PolarHBondContact O-N 2.85Å; A440-L443 PolarHBondContact O-N 3.39Å; E441-L443 VanDerWaalsContact C-N 3.35Å; E441-L443 PolarHBondContact O-N 2.78Å; L443-L446 PolarHBondContact O-N 3.44Å; L443-C447 PolarHBondContact O-N 2.8Å; L443-C447 VanDerWaalsContact O-N 3.11Å; L443-C447 PolarHBondContact O-SG 3.24Å; L443-F454 HydrophobicContact CB-CD2 4.43Å; L443-F454 HydrophobicContact CB-CE2 3.81Å; L443-T458 HydrophobicContact CD1-CG2 4.03Å
444F94.2Very high91.7Very high5 Ų525.1 Ų25.12%0.02214%0.138CC..Hα-helixtrans-65.8-43.5177-172-112.9000112A440 E441 F442 C447 K448 E449 F454 L466 R470 L472A440-F444 WeakPolarHBondContact O-CB 3.44Å; A440-F444 PolarHBondContact O-N 3.41Å; E441-F444 PolarHBondContact O-N 2.64Å; E441-F444 VanDerWaalsContact O-N 3.17Å; F442-F444 VanDerWaalsContact C-N 3.32Å; F442-F444 PolarHBondContact O-N 2.87Å; F444-C447 CarbonylContact O-C 3.48Å; F444-C447 WeakPolarHBondContact O-CA 3.48Å; F444-C447 WeakPolarHBondContact O-CB 3.07Å; F444-C447 PolarHBondContact O-N 3.27Å; F444-K448 PolarHBondContact O-N 2.93Å; F444-E449 HydrophobicContact CD1-CB 3.93Å; F444-E449 HydrophobicContact CD1-CG 3.73Å; F444-E449 VanDerWaalsContact CE1-CA 3.49Å; F444-E449 HydrophobicContact CE1-CB 3.42Å; F444-E449 VanDerWaalsContact CE1-CB 3.42Å; F444-E449 HydrophobicContact CE1-CG 3.67Å; F444-E449 VanDerWaalsContact CZ-CA 3.48Å; F444-E449 HydrophobicContact CZ-CB 3.8Å; F444-E449 WeakPolarHBondContact CZ-O 3.32Å; F444-E449 WeakPolarHBondContact O-CA 3.45Å; F444-E449 PolarHBondContact O-N 2.99Å; F444-F454 HydrophobicContact CB-CD2 4.11Å; F444-F454 HydrophobicContact CB-CE2 3.93Å; F444-F454 HydrophobicContact CB-CZ 4.24Å; F444-F454 HydrophobicContact CD2-CB 3.91Å; F444-F454 AromaticContact CD2-CD1 3.83Å; F444-F454 HydrophobicContact CD2-CD1 3.83Å; F444-F454 HydrophobicContact CD2-CD2 4.05Å; F444-F454 HydrophobicContact CD2-CE1 4.27Å; F444-F454 HydrophobicContact CD2-CE2 4.47Å; F444-F454 AromaticContact CD2-CG 3.69Å; F444-F454 HydrophobicContact CD2-CG 3.69Å; F444-F454 HydrophobicContact CE2-CB 4.37Å; F444-F454 HydrophobicContact CE2-CD1 4.45Å; F444-F454 HydrophobicContact CE2-CG 4.48Å; F444-L466 HydrophobicContact CB-CD2 3.75Å; F444-L466 HydrophobicContact CD1-CD2 4.49Å; F444-L466 HydrophobicContact CD2-CD2 4.37Å; F444-L466 HydrophobicContact CG-CD2 3.97Å; F444-R470 VanDerWaalsContact CE1-NH1 3.26Å; F444-L472 HydrophobicContact CZ-CD1 3.87Å
445V93.7Very high91.6Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-61.9-43.6174.5173.30000111.4T386 R390 E441 F442 C447 K448T386-V445 HydrophobicContact CG2-CB 4.31Å; T386-V445 HydrophobicContact CG2-CG2 3.82Å; R390-V445 HydrophobicContact CG-CG1 3.82Å; R390-V445 HydrophobicContact CG-CG2 4.12Å; E441-V445 WeakPolarHBondContact O-CG2 3.44Å; E441-V445 PolarHBondContact O-N 3.5Å; F442-V445 PolarHBondContact O-N 2.89Å; V445-C447 PolarHBondContact O-N 2.89Å; V445-C447 VanDerWaalsContact O-N 3.17Å; V445-K448 PolarHBondContact O-N 3.12Å
446L93.6Very high91.3Very high0 Ų024.7 Ų24.70%013%0.134CC..Hα-helixtrans-62.6-22.1174.5-65.7-174.2000113.1R396 L399 R400 V403 L404 F442 L443 K448R396-L446 HydrophobicContact CG-CD2 4.27Å; L399-L446 HydrophobicContact CB-CD1 4.5Å; L399-L446 HydrophobicContact CB-CD2 3.71Å; R400-L446 PolarHBondContact NH1-O 3.45Å; V403-L446 HydrophobicContact CB-CD1 3.87Å; V403-L446 HydrophobicContact CG1-CD1 4.05Å; V403-L446 HydrophobicContact CG2-CD1 4.13Å; L404-L446 HydrophobicContact CD1-CB 3.97Å; F442-L446 HydrophobicContact CD1-CD1 4.42Å; F442-L446 HydrophobicContact CD2-CG 4.42Å; F442-L446 HydrophobicContact CE1-CD1 3.91Å; F442-L446 HydrophobicContact CE2-CD1 4.04Å; F442-L446 HydrophobicContact CE2-CD2 4.24Å; F442-L446 HydrophobicContact CE2-CG 4.13Å; F442-L446 HydrophobicContact CZ-CD1 3.71Å; F442-L446 HydrophobicContact CZ-CG 4.32Å; F442-L446 WeakPolarHBondContact O-CG 3.4Å; F442-L446 PolarHBondContact O-N 2.86Å; L443-L446 PolarHBondContact O-N 3.44Å; L446-K448 VanDerWaalsContact C-N 3.27Å
447C91.9Very high91.1Very high0 Ų021.6 Ų21.60%012%0.121CC..THydrogen-bonded Turntrans-86.811173.5-68.50000113.8L443 F444 V445 E449 S450 R453 F454L443-C447 PolarHBondContact O-N 2.8Å; L443-C447 VanDerWaalsContact O-N 3.11Å; L443-C447 PolarHBondContact O-SG 3.24Å; F444-C447 CarbonylContact O-C 3.48Å; F444-C447 WeakPolarHBondContact O-CA 3.48Å; F444-C447 WeakPolarHBondContact O-CB 3.07Å; F444-C447 PolarHBondContact O-N 3.27Å; V445-C447 PolarHBondContact O-N 2.89Å; V445-C447 VanDerWaalsContact O-N 3.17Å; C447-E449 PolarHBondContact O-N 3.39Å; C447-S450 WeakPolarHBondContact O-CB 3.37Å; C447-S450 PolarHBondContact O-N 3.41Å; C447-R453 HydrophobicContact CB-CB 4.22Å; C447-R453 HydrophobicContact CB-CG 4.19Å; C447-R453 PolarHBondContact O-NH1 3.1Å; C447-F454 HydrophobicContact CB-CB 4.25Å
448K89Confident91Very high20 Ų2018.3 Ų18.39%0.08710%0.103CC..THydrogen-bonded Turntrans58.132.2-173-51.6-177.2179.9177.50112.1F444 V445 L446 S450 Y482 S483F444-K448 PolarHBondContact O-N 2.93Å; V445-K448 PolarHBondContact O-N 3.12Å; L446-K448 VanDerWaalsContact C-N 3.27Å; K448-S450 PolarHBondContact O-N 2.65Å; K448-Y482 HydrophobicContact CB-CD1 4.46Å; K448-Y482 HydrophobicContact CB-CD2 4.12Å; K448-Y482 HydrophobicContact CB-CG 3.89Å; K448-Y482 HydrophobicContact CG-CG 4.48Å; K448-Y482 WeakPolarHBondContact O-CD2 3.46Å; K448-S483 WeakPolarHBondContact CD-O 3.42Å; K448-S483 PolarHBondContact NZ-O 3.25Å
449E88.8Confident90.9Very high56 Ų5617.2 Ų17.226%0.26210%0.095SC..THydrogen-bonded Turntrans56.926.3-179.1-59.1175.8-145.900112.9R390 F444 C447 Y482R390-E449 IonicContact NH1-OE1 3.29Å; R390-E449 PolarHBondContact NH1-OE1 2.66Å; R390-E449 IonicContact NH1-OE2 3.08Å; F444-E449 HydrophobicContact CD1-CB 3.93Å; F444-E449 HydrophobicContact CD1-CG 3.73Å; F444-E449 VanDerWaalsContact CE1-CA 3.49Å; F444-E449 HydrophobicContact CE1-CB 3.42Å; F444-E449 VanDerWaalsContact CE1-CB 3.42Å; F444-E449 HydrophobicContact CE1-CG 3.67Å; F444-E449 VanDerWaalsContact CZ-CA 3.48Å; F444-E449 HydrophobicContact CZ-CB 3.8Å; F444-E449 WeakPolarHBondContact CZ-O 3.32Å; F444-E449 WeakPolarHBondContact O-CA 3.45Å; F444-E449 PolarHBondContact O-N 2.99Å; C447-E449 PolarHBondContact O-N 3.39Å; E449-Y482 HydrophobicContact CB-CD2 4.49Å; E449-Y482 HydrophobicContact CB-CE2 4.07Å; E449-Y482 HydrophobicContact CG-CE2 3.77Å; E449-Y482 VanDerWaalsContact OE1-CE2 3.3Å; E449-Y482 WeakPolarHBondContact OE1-CE2 3.33Å; E449-Y482 PolarHBondContact OE1-OH 2.7Å
450S88.3Confident90.5Very high41 Ų4120.9 Ų20.929%0.28711%0.11SC..  trans-91.7118.4177.7173.90000110.5C447 K448 S452 R453 F454C447-S450 WeakPolarHBondContact O-CB 3.37Å; C447-S450 PolarHBondContact O-N 3.41Å; K448-S450 PolarHBondContact O-N 2.65Å; S450-S452 PolarHBondContact O-N 2.75Å; S450-R453 PolarHBondContact O-N 2.66Å; S450-R453 PolarHBondContact OG-N 3.37Å; S450-F454 VanDerWaalsContact O-CB 3.25Å; S450-F454 WeakPolarHBondContact O-CB 3.41Å; S450-F454 PolarHBondContact O-N 2.8Å
451V86.7Confident90.2Very high17 Ų1722.6 Ų22.610%0.10313%0.128CC..Hα-helixtrans-56.1-47.8178.3178.70000111.6R453 F454 I455 L467 L472V451-R453 PolarHBondContact O-N 2.93Å; V451-F454 PolarHBondContact O-N 2.76Å; V451-I455 HydrophobicContact CG1-CD1 3.7Å; V451-I455 HydrophobicContact CG1-CG1 4.41Å; V451-I455 WeakPolarHBondContact O-CG1 3.45Å; V451-I455 PolarHBondContact O-N 2.97Å; V451-L467 HydrophobicContact CB-CD2 4.44Å; V451-L467 HydrophobicContact CG1-CD1 4.09Å; V451-L467 HydrophobicContact CG1-CD2 3.92Å; V451-L467 HydrophobicContact CG2-CD2 3.99Å; V451-L472 HydrophobicContact CG2-CB 4.06Å; V451-L472 HydrophobicContact CG2-CD1 4.15Å
452S85.1Confident90Very high96 Ų9622.5 Ų22.567%0.67113%0.129SC*.Hα-helixtrans-62.7-43.5-179-52.10000112.1S450 K456S450-S452 PolarHBondContact O-N 2.75Å; S452-K456 PolarHBondContact O-N 3.48Å; S452-K456 VanDerWaalsContact O-N 3.13Å
453R87.3Confident89.7Confident37 Ų3722.5 Ų22.514%0.1413%0.129CC..Hα-helixtrans-68.6-39178.5-167-179.4-71.6126.3-6111R400 C447 S450 V451 K456 Y457R400-R453 VanDerWaalsContact NH1-CD 3.29Å; C447-R453 HydrophobicContact CB-CB 4.22Å; C447-R453 HydrophobicContact CB-CG 4.19Å; C447-R453 PolarHBondContact O-NH1 3.1Å; S450-R453 PolarHBondContact O-N 2.66Å; S450-R453 PolarHBondContact OG-N 3.37Å; V451-R453 PolarHBondContact O-N 2.93Å; R453-K456 WeakPolarHBondContact O-CB 3.22Å; R453-K456 PolarHBondContact O-N 3.48Å; R453-Y457 HydrophobicContact CG-CD2 4.15Å; R453-Y457 HydrophobicContact CG-CE2 3.9Å; R453-Y457 WeakPolarHBondContact O-CD2 3.27Å; R453-Y457 PolarHBondContact O-N 3.17Å
454F90Very high89.3Confident0 Ų023.8 Ų23.80%014%0.139CC..Hα-helixtrans-60.8-52.3176.9-175.8-125.9000111.6M428 L443 F444 C447 S450 V451 K456 Y457 T458 A463 L466 L467M428-F454 HydrophobicContact CE-CE1 4.11Å; M428-F454 HydrophobicContact CE-CE2 4.08Å; M428-F454 HydrophobicContact CE-CZ 3.39Å; L443-F454 HydrophobicContact CB-CD2 4.43Å; L443-F454 HydrophobicContact CB-CE2 3.81Å; F444-F454 HydrophobicContact CB-CD2 4.11Å; F444-F454 HydrophobicContact CB-CE2 3.93Å; F444-F454 HydrophobicContact CB-CZ 4.24Å; F444-F454 HydrophobicContact CD2-CB 3.91Å; F444-F454 AromaticContact CD2-CD1 3.83Å; F444-F454 HydrophobicContact CD2-CD1 3.83Å; F444-F454 HydrophobicContact CD2-CD2 4.05Å; F444-F454 HydrophobicContact CD2-CE1 4.27Å; F444-F454 HydrophobicContact CD2-CE2 4.47Å; F444-F454 AromaticContact CD2-CG 3.69Å; F444-F454 HydrophobicContact CD2-CG 3.69Å; F444-F454 HydrophobicContact CE2-CB 4.37Å; F444-F454 HydrophobicContact CE2-CD1 4.45Å; F444-F454 HydrophobicContact CE2-CG 4.48Å; C447-F454 HydrophobicContact CB-CB 4.25Å; S450-F454 VanDerWaalsContact O-CB 3.25Å; S450-F454 WeakPolarHBondContact O-CB 3.41Å; S450-F454 PolarHBondContact O-N 2.8Å; V451-F454 PolarHBondContact O-N 2.76Å; F454-K456 VanDerWaalsContact C-N 3.26Å; F454-K456 PolarHBondContact O-N 2.99Å; F454-Y457 PolarHBondContact O-N 3.34Å; F454-T458 HydrophobicContact CD2-CG2 3.88Å; F454-T458 HydrophobicContact CE2-CG2 3.73Å; F454-T458 HydrophobicContact CZ-CG2 4.36Å; F454-T458 PolarHBondContact O-N 3.39Å; F454-T458 PolarHBondContact O-OG1 3.42Å; F454-A463 HydrophobicContact CD1-CB 3.71Å; F454-A463 HydrophobicContact CE1-CB 3.46Å; F454-A463 VanDerWaalsContact CE1-CB 3.46Å; F454-A463 HydrophobicContact CZ-CB 4.34Å; F454-L466 HydrophobicContact CE1-CB 4.49Å; F454-L466 HydrophobicContact CE1-CD2 3.86Å; F454-L466 HydrophobicContact CZ-CD2 3.73Å; F454-L467 HydrophobicContact CD1-CD2 4.32Å
455I88.9Confident88.9Confident29 Ų2926 Ų2615%0.14916%0.163CC..Hα-helixtrans-56.5-41.1177.3-68.2166.1000111.3V451 Y457 T458 G459 Y460 A463 L467V451-I455 HydrophobicContact CG1-CD1 3.7Å; V451-I455 HydrophobicContact CG1-CG1 4.41Å; V451-I455 WeakPolarHBondContact O-CG1 3.45Å; V451-I455 PolarHBondContact O-N 2.97Å; I455-Y457 VanDerWaalsContact C-N 3.27Å; I455-Y457 PolarHBondContact O-N 3.03Å; I455-T458 PolarHBondContact O-N 3.02Å; I455-G459 VanDerWaalsContact O-CA 3.32Å; I455-G459 WeakPolarHBondContact O-CA 3.29Å; I455-G459 PolarHBondContact O-N 3.18Å; I455-Y460 HydrophobicContact CD1-CD2 3.81Å; I455-Y460 HydrophobicContact CG1-CD2 4.19Å; I455-A463 HydrophobicContact CG1-CB 4.47Å; I455-L467 HydrophobicContact CD1-CD1 4.16Å; I455-L467 HydrophobicContact CG1-CD1 4.16Å
456K86.2Confident88.7Confident28 Ų2826.6 Ų26.612%0.12217%0.167CC..Hα-helixtrans-54.4-41.3177.1169.1171.780.1167.50112.9L407 S452 R453 F454 S488 Y493L407-K456 HydrophobicContact CD1-CD 4.04Å; L407-K456 HydrophobicContact CD1-CG 3.5Å; L407-K456 VanDerWaalsContact CD1-CG 3.5Å; L407-K456 WeakPolarHBondContact CD1-O 3.43Å; S452-K456 PolarHBondContact O-N 3.48Å; S452-K456 VanDerWaalsContact O-N 3.13Å; R453-K456 WeakPolarHBondContact O-CB 3.22Å; R453-K456 PolarHBondContact O-N 3.48Å; F454-K456 VanDerWaalsContact C-N 3.26Å; F454-K456 PolarHBondContact O-N 2.99Å; K456-S488 PolarHBondContact NZ-O 3.18Å; K456-S488 VanDerWaalsContact NZ-O 3.14Å; K456-S488 PolarHBondContact NZ-OG 3.49Å; K456-Y493 HydrophobicContact CD-CD1 4.05Å; K456-Y493 HydrophobicContact CD-CD2 4.36Å; K456-Y493 HydrophobicContact CD-CE1 3.43Å; K456-Y493 VanDerWaalsContact CD-CE1 3.43Å; K456-Y493 HydrophobicContact CD-CE2 3.81Å; K456-Y493 HydrophobicContact CD-CG 4.49Å; K456-Y493 WeakPolarHBondContact CD-OH 3.5Å; K456-Y493 HydrophobicContact CG-CE1 4.17Å; K456-Y493 HydrophobicContact CG-CE2 3.74Å; K456-Y493 VanDerWaalsContact CG-CZ 3.5Å; K456-Y493 WeakPolarHBondContact CG-OH 3.33Å
457Y88.2Confident88.4Confident2 Ų226.7 Ų26.71%0.00817%0.167CC..Hα-helixtrans-91.3-25.9-175.2-75.1-78.4000114.1L404 P405 L407 R453 F454 I455L404-Y457 HydrophobicContact CB-CD1 4.23Å; L404-Y457 HydrophobicContact CB-CE1 4.25Å; L404-Y457 HydrophobicContact CD1-CG 4.48Å; L404-Y457 HydrophobicContact CD2-CD1 4.12Å; L404-Y457 HydrophobicContact CD2-CG 4.21Å; P405-Y457 WeakPolarHBondContact O-CE1 3.38Å; L407-Y457 HydrophobicContact CD1-CD1 4.18Å; L407-Y457 HydrophobicContact CD1-CE1 4.23Å; L407-Y457 HydrophobicContact CD2-CD1 3.62Å; L407-Y457 HydrophobicContact CD2-CE1 3.74Å; L407-Y457 HydrophobicContact CG-CD1 3.83Å; L407-Y457 HydrophobicContact CG-CE1 3.58Å; R453-Y457 HydrophobicContact CG-CD2 4.15Å; R453-Y457 HydrophobicContact CG-CE2 3.9Å; R453-Y457 WeakPolarHBondContact O-CD2 3.27Å; R453-Y457 PolarHBondContact O-N 3.17Å; F454-Y457 PolarHBondContact O-N 3.34Å; I455-Y457 VanDerWaalsContact C-N 3.27Å; I455-Y457 PolarHBondContact O-N 3.03Å
458T91.1Very high88.1Confident0 Ų029 Ų290%019%0.186CC..Hα-helixtrans-109.2-18.9-173.465.80000113.8P414 V425 M428 L443 F454 I455 N462P414-T458 WeakPolarHBondContact CB-O 3.3Å; V425-T458 HydrophobicContact CG2-CG2 4.13Å; M428-T458 HydrophobicContact CE-CG2 4.29Å; M428-T458 HydrophobicContact SD-CG2 3.87Å; L443-T458 HydrophobicContact CD1-CG2 4.03Å; F454-T458 HydrophobicContact CD2-CG2 3.88Å; F454-T458 HydrophobicContact CE2-CG2 3.73Å; F454-T458 HydrophobicContact CZ-CG2 4.36Å; F454-T458 PolarHBondContact O-N 3.39Å; F454-T458 PolarHBondContact O-OG1 3.42Å; I455-T458 PolarHBondContact O-N 3.02Å; T458-N462 WeakPolarHBondContact O-CB 3.49Å; T458-N462 PolarHBondContact O-ND2 3.46Å
459G89.1Confident87.8Confident0 Ų032.1 Ų32.10%022%0.215CC..  trans75.4145-164.700000111.7I455 G461 N462 A463I455-G459 VanDerWaalsContact O-CA 3.32Å; I455-G459 WeakPolarHBondContact O-CA 3.29Å; I455-G459 PolarHBondContact O-N 3.18Å; G459-G461 VanDerWaalsContact C-N 3.32Å; G459-G461 PolarHBondContact O-N 3.26Å; G459-N462 PolarHBondContact O-N 3.49Å; G459-A463 WeakPolarHBondContact O-CB 3.41Å; G459-A463 PolarHBondContact O-N 3.42Å; G459-A463 VanDerWaalsContact O-N 3.1Å
460Y87.9Confident87.5Confident77 Ų7734.2 Ų34.230%0.30222%0.221SC..Hα-helixtrans-65.7-34.7-177.4177.8-95.5000112.2I455 N462 A463 A464 L467 L473 L502 I503I455-Y460 HydrophobicContact CD1-CD2 3.81Å; I455-Y460 HydrophobicContact CG1-CD2 4.19Å; Y460-N462 VanDerWaalsContact C-N 3.34Å; Y460-N462 PolarHBondContact O-N 3.49Å; Y460-A463 PolarHBondContact O-N 3.42Å; Y460-A464 HydrophobicContact CE1-CB 4.35Å; Y460-A464 VanDerWaalsContact O-CB 3.32Å; Y460-A464 WeakPolarHBondContact O-CB 3.35Å; Y460-A464 PolarHBondContact O-N 3.33Å; Y460-L467 HydrophobicContact CD2-CD1 4.2Å; Y460-L467 HydrophobicContact CE2-CD1 4.15Å; Y460-L473 HydrophobicContact CE2-CD2 4.48Å; Y460-L473 WeakPolarHBondContact OH-CD2 3.46Å; Y460-L502 WeakPolarHBondContact CB-O 3.37Å; Y460-L502 PolarHBondContact N-O 2.99Å; Y460-I503 PolarHBondContact N-O 2.94Å
461G88Confident87.1Confident41 Ų4133.5 Ų33.542%0.42322%0.22SC..Hα-helixtrans-56.4-45.7177.800000113.1G459 I503G459-G461 VanDerWaalsContact C-N 3.32Å; G459-G461 PolarHBondContact O-N 3.26Å; G461-I503 PolarHBondContact N-O 3.47Å
462N90Very high86.8Confident24 Ų2433.5 Ų33.513%0.12822%0.22CC..Hα-helixtrans-73.3-38.1177-59.2-45.1000111.5E415 V425 M428 T458 G459 Y460 A464E415-N462 PolarHBondContact OE2-ND2 3.28Å; E415-N462 VanDerWaalsContact OE2-ND2 3.11Å; V425-N462 HydrophobicContact CG1-CB 4.06Å; V425-N462 VanDerWaalsContact CG1-ND2 3.33Å; V425-N462 WeakPolarHBondContact CG1-ND2 3.26Å; M428-N462 HydrophobicContact CE-CB 4.46Å; M428-N462 WeakPolarHBondContact CE-O 3.18Å; M428-N462 HydrophobicContact SD-CB 4.39Å; T458-N462 WeakPolarHBondContact O-CB 3.49Å; T458-N462 PolarHBondContact O-ND2 3.46Å; G459-N462 PolarHBondContact O-N 3.49Å; Y460-N462 VanDerWaalsContact C-N 3.34Å; Y460-N462 PolarHBondContact O-N 3.49Å; N462-A464 PolarHBondContact O-N 2.81Å
463A89.9Confident86.2Confident0 Ų030.5 Ų30.50%020%0.196CC..Hα-helixtrans-72-24.8-179.200000114.5F454 I455 G459 Y460 G465 L466 L467F454-A463 HydrophobicContact CD1-CB 3.71Å; F454-A463 HydrophobicContact CE1-CB 3.46Å; F454-A463 VanDerWaalsContact CE1-CB 3.46Å; F454-A463 HydrophobicContact CZ-CB 4.34Å; I455-A463 HydrophobicContact CG1-CB 4.47Å; G459-A463 WeakPolarHBondContact O-CB 3.41Å; G459-A463 PolarHBondContact O-N 3.42Å; G459-A463 VanDerWaalsContact O-N 3.1Å; Y460-A463 PolarHBondContact O-N 3.42Å; A463-G465 PolarHBondContact O-N 3.5Å; A463-G465 VanDerWaalsContact O-N 3.14Å; A463-L466 PolarHBondContact O-N 3.37Å; A463-L467 HydrophobicContact CB-CD1 3.95Å; A463-L467 HydrophobicContact CB-CG 4.33Å; A463-L467 WeakPolarHBondContact O-CG 3.34Å; A463-L467 PolarHBondContact O-N 3.2Å
464A87.4Confident85.1Confident27 Ų2736.6 Ų36.622%0.22322%0.219CC..Hα-helixtrans-56.3-35.6-170.200000113Y460 N462 L467 A468Y460-A464 HydrophobicContact CE1-CB 4.35Å; Y460-A464 VanDerWaalsContact O-CB 3.32Å; Y460-A464 WeakPolarHBondContact O-CB 3.35Å; Y460-A464 PolarHBondContact O-N 3.33Å; N462-A464 PolarHBondContact O-N 2.81Å; A464-L467 PolarHBondContact O-N 2.95Å; A464-A468 WeakPolarHBondContact O-CB 3.5Å; A464-A468 PolarHBondContact O-N 3.11Å
465G86.8Confident83.6Confident51 Ų5138.7 Ų38.753%0.52624%0.24SC..Hα-helixtrans-59.3-52.7177.700000112.8A463 A468 A469A463-G465 PolarHBondContact O-N 3.5Å; A463-G465 VanDerWaalsContact O-N 3.14Å; G465-A468 PolarHBondContact O-N 3.1Å; G465-A469 PolarHBondContact O-N 3.09Å; G465-A469 VanDerWaalsContact O-N 3.08Å
466L87.8Confident81.9Confident13 Ų1339.2 Ų39.27%0.06825%0.253CS..Hα-helixtrans-66.1-44178-173.377.5000111.3A440 F444 F454 A463 A468 A469 R470A440-L466 HydrophobicContact CB-CB 3.93Å; A440-L466 HydrophobicContact CB-CD1 4.03Å; A440-L466 HydrophobicContact CB-CD2 3.97Å; A440-L466 HydrophobicContact CB-CG 4.19Å; F444-L466 HydrophobicContact CB-CD2 3.75Å; F444-L466 HydrophobicContact CD1-CD2 4.49Å; F444-L466 HydrophobicContact CD2-CD2 4.37Å; F444-L466 HydrophobicContact CG-CD2 3.97Å; F454-L466 HydrophobicContact CE1-CB 4.49Å; F454-L466 HydrophobicContact CE1-CD2 3.86Å; F454-L466 HydrophobicContact CZ-CD2 3.73Å; A463-L466 PolarHBondContact O-N 3.37Å; L466-A468 VanDerWaalsContact C-N 3.31Å; L466-A468 PolarHBondContact O-N 3.44Å; L466-A469 PolarHBondContact O-N 3.41Å; L466-R470 PolarHBondContact O-N 3.29Å
467L87.5Confident80.1Confident2 Ų249.8 Ų49.81%0.0129%0.292CS..Hα-helixtrans-63-37.8-179.7-65.5177.4000111.8V451 F454 I455 Y460 A463 A464 R470 G471 L472 L473V451-L467 HydrophobicContact CB-CD2 4.44Å; V451-L467 HydrophobicContact CG1-CD1 4.09Å; V451-L467 HydrophobicContact CG1-CD2 3.92Å; V451-L467 HydrophobicContact CG2-CD2 3.99Å; F454-L467 HydrophobicContact CD1-CD2 4.32Å; I455-L467 HydrophobicContact CD1-CD1 4.16Å; I455-L467 HydrophobicContact CG1-CD1 4.16Å; Y460-L467 HydrophobicContact CD2-CD1 4.2Å; Y460-L467 HydrophobicContact CE2-CD1 4.15Å; A463-L467 HydrophobicContact CB-CD1 3.95Å; A463-L467 HydrophobicContact CB-CG 4.33Å; A463-L467 WeakPolarHBondContact O-CG 3.34Å; A463-L467 PolarHBondContact O-N 3.2Å; A464-L467 PolarHBondContact O-N 2.95Å; L467-R470 PolarHBondContact O-N 3.28Å; L467-G471 PolarHBondContact O-N 3.38Å; L467-G471 VanDerWaalsContact O-N 3.07Å; L467-L472 HydrophobicContact CD2-CB 3.92Å; L467-L472 HydrophobicContact CD2-CD1 4.47Å; L467-L472 PolarHBondContact O-N 3.13Å; L467-L473 HydrophobicContact CB-CD2 3.86Å; L467-L473 HydrophobicContact CB-CG 4.5Å
468A85.3Confident78.1Confident49 Ų4956 Ų5641%0.40533%0.325SS..Hα-helixtrans-66.3-46174.200000111.7A464 G465 L466 R470 G471 L473A464-A468 WeakPolarHBondContact O-CB 3.5Å; A464-A468 PolarHBondContact O-N 3.11Å; G465-A468 PolarHBondContact O-N 3.1Å; L466-A468 VanDerWaalsContact C-N 3.31Å; L466-A468 PolarHBondContact O-N 3.44Å; A468-R470 PolarHBondContact O-N 3.01Å; A468-G471 PolarHBondContact O-N 3.49Å; A468-G471 VanDerWaalsContact O-N 3.09Å; A468-L473 HydrophobicContact CB-CD1 3.86Å; A468-L473 HydrophobicContact CB-CD2 4.25Å; A468-L473 HydrophobicContact CB-CG 4.22Å
469A84.6Confident75.9Confident84 Ų8461.7 Ų61.769%0.69437%0.365SS*.Hα-helixtrans-59.8-32.9178.300000112.5G465 L466G465-A469 PolarHBondContact O-N 3.09Å; G465-A469 VanDerWaalsContact O-N 3.08Å; L466-A469 PolarHBondContact O-N 3.41Å
470R82.3Confident74Confident100 Ų10063.5 Ų63.538%0.37738%0.383SS..THydrogen-bonded Turntrans-91.3-2.3176.6-70.3-165.3154.7147.40.4115.5E441 F444 L466 L467 A468 L472E441-R470 IonicContact OE1-CZ 3.25Å; E441-R470 VanDerWaalsContact OE1-CZ 3.23Å; E441-R470 IonicContact OE1-NH1 3.98Å; E441-R470 PolarHBondContact OE1-NH1 3.37Å; E441-R470 IonicContact OE1-NH2 2.71Å; E441-R470 PolarHBondContact OE1-NH2 3.41Å; E441-R470 IonicContact OE2-CZ 3.17Å; E441-R470 IonicContact OE2-NE 3.21Å; E441-R470 IonicContact OE2-NH1 3.71Å; E441-R470 PolarHBondContact OE2-NH1 3.07Å; E441-R470 IonicContact OE2-NH2 2.86Å; E441-R470 PolarHBondContact OE2-NH2 3.44Å; F444-R470 VanDerWaalsContact CE1-NH1 3.26Å; L466-R470 PolarHBondContact O-N 3.29Å; L467-R470 PolarHBondContact O-N 3.28Å; A468-R470 PolarHBondContact O-N 3.01Å; R470-L472 HydrophobicContact CB-CB 4.49Å; R470-L472 HydrophobicContact CB-CD1 3.84Å; R470-L472 HydrophobicContact CB-CG 3.83Å; R470-L472 PolarHBondContact O-N 3.04Å
471G80.1Confident72.5Confident27 Ų2768.1 Ų68.128%0.27841%0.412SS..THydrogen-bonded Turntrans67.718.7-175.300000114.4L467 A468L467-G471 PolarHBondContact O-N 3.38Å; L467-G471 VanDerWaalsContact O-N 3.07Å; A468-G471 PolarHBondContact O-N 3.49Å; A468-G471 VanDerWaalsContact O-N 3.09Å
472L79.9Confident71Confident17 Ų1768 Ų689%0.08940%0.399CS..  trans-918.6-175.4-65.6176.8000114.1F444 V451 L467 R470 R474 G475F444-L472 HydrophobicContact CZ-CD1 3.87Å; V451-L472 HydrophobicContact CG2-CB 4.06Å; V451-L472 HydrophobicContact CG2-CD1 4.15Å; L467-L472 HydrophobicContact CD2-CB 3.92Å; L467-L472 HydrophobicContact CD2-CD1 4.47Å; L467-L472 PolarHBondContact O-N 3.13Å; R470-L472 HydrophobicContact CB-CB 4.49Å; R470-L472 HydrophobicContact CB-CD1 3.84Å; R470-L472 HydrophobicContact CB-CG 3.83Å; R470-L472 PolarHBondContact O-N 3.04Å; L472-R474 PolarHBondContact O-N 3.26Å; L472-R474 VanDerWaalsContact O-N 3.12Å; L472-G475 PolarHBondContact O-N 3.4Å
473L72.6Confident69.2Low32 Ų3269.8 Ų69.817%0.16841%0.413CS..THydrogen-bonded Turntrans-59.3-24.9-177.4-67.6172000114.3Y460 L467 A468 G475 L548Y460-L473 HydrophobicContact CE2-CD2 4.48Å; Y460-L473 WeakPolarHBondContact OH-CD2 3.46Å; L467-L473 HydrophobicContact CB-CD2 3.86Å; L467-L473 HydrophobicContact CB-CG 4.5Å; A468-L473 HydrophobicContact CB-CD1 3.86Å; A468-L473 HydrophobicContact CB-CD2 4.25Å; A468-L473 HydrophobicContact CB-CG 4.22Å; L473-G475 VanDerWaalsContact C-N 3.28Å; L473-G475 PolarHBondContact O-N 3.02Å; L473-L548 HydrophobicContact CB-CD1 4.35Å; L473-L548 HydrophobicContact CB-CD2 4.02Å; L473-L548 HydrophobicContact CD1-CD2 3.89Å
474R64.4Low67.3Low166 Ų16678 Ų7863%0.62645%0.452SS*.THydrogen-bonded Turntrans-84.86.6176.2-63-167.886.1-165.36.7114L472 G476 L548L472-R474 PolarHBondContact O-N 3.26Å; L472-R474 VanDerWaalsContact O-N 3.12Å; R474-G476 VanDerWaalsContact C-N 3.3Å; R474-L548 HydrophobicContact CG-CB 4.06Å; R474-L548 HydrophobicContact CG-CD1 4.34Å
475G57.8Low65.7Low44 Ų4483.2 Ų83.245%0.45448%0.475SS..  trans67.632.6-173.600000112.4L472 L473 R477L472-G475 PolarHBondContact O-N 3.4Å; L473-G475 VanDerWaalsContact C-N 3.28Å; L473-G475 PolarHBondContact O-N 3.02Å; G475-R477 PolarHBondContact O-N 3.05Å
476G53Low64.2Low39 Ų3983.2 Ų83.240%0.40246%0.462SS..  trans-51.9129.6178.800000111R474 D478R474-G476 VanDerWaalsContact C-N 3.3Å; G476-D478 VanDerWaalsContact C-N 3.31Å; G476-D478 PolarHBondContact O-N 2.88Å
477R48.9Very low63Low250 Ų25087.6 Ų87.694%0.94349%0.485SS*.  trans-74.188.1171.4-71.3179.2176.3178.8-2.9107.7G475 S479G475-R477 PolarHBondContact O-N 3.05Å; R477-S479 PolarHBondContact O-N 3.44Å
478D46.5Very low61.8Low133 Ų13388.3 Ų88.371%0.71149%0.49SS*.  trans-71.7116.9154.2-118.7-17.9000106.3G476 G480G476-D478 VanDerWaalsContact C-N 3.31Å; G476-D478 PolarHBondContact O-N 2.88Å; D478-G480 PolarHBondContact O-N 3.28Å
479S43.8Very low61Low119 Ų11988.7 Ų88.783%0.83248%0.484SS*.  trans-70.378.3171.754.90000107.9R477R477-S479 PolarHBondContact O-N 3.44Å
480G50.6Low60.5Low38 Ų3886 Ų8639%0.39246%0.459SS..  trans-60.9161.5175.300000111.5D478 Y482D478-G480 PolarHBondContact O-N 3.28Å; G480-Y482 PolarHBondContact O-N 2.98Å
481I54.6Low59.8Low174 Ų17488.4 Ų88.489%0.89247%0.474SS*.SBendtrans-72.510.6-177.2-51.5165.1000111.7
482Y58.3Low59.4Low40 Ų4091.9 Ų91.916%0.15748%0.483CS..  trans-105.9139-166.8-56.2-73.9000112.8R396 K448 E449 G480R396-Y482 VanDerWaalsContact CZ-CE1 3.47Å; K448-Y482 HydrophobicContact CB-CD1 4.46Å; K448-Y482 HydrophobicContact CB-CD2 4.12Å; K448-Y482 HydrophobicContact CB-CG 3.89Å; K448-Y482 HydrophobicContact CG-CG 4.48Å; K448-Y482 WeakPolarHBondContact O-CD2 3.46Å; E449-Y482 HydrophobicContact CB-CD2 4.49Å; E449-Y482 HydrophobicContact CB-CE2 4.07Å; E449-Y482 HydrophobicContact CG-CE2 3.77Å; E449-Y482 VanDerWaalsContact OE1-CE2 3.3Å; E449-Y482 WeakPolarHBondContact OE1-CE2 3.33Å; E449-Y482 PolarHBondContact OE1-OH 2.7Å; G480-Y482 PolarHBondContact O-N 2.98Å
483S51.1Low59.1Low61 Ų6192.2 Ų92.243%0.42748%0.484SS..  trans-76.5147.2174.176.70000112.8K448 D485K448-S483 WeakPolarHBondContact CD-O 3.42Å; K448-S483 PolarHBondContact NZ-O 3.25Å; S483-D485 VanDerWaalsContact C-N 3.32Å; S483-D485 WeakPolarHBondContact CB-OD2 3.25Å; S483-D485 PolarHBondContact O-N 3.38Å; S483-D485 PolarHBondContact OG-OD2 3.16Å
484E51Low59.3Low173 Ų17396.5 Ų96.581%0.80850%0.497SS*.  trans-83.21.3-174.4-66.2-168.2161.400114.6E486E484-E486 PolarHBondContact O-N 2.99Å
485D53.3Low59.6Low135 Ų13595.8 Ų95.872%0.72250%0.501SS*.  trans-69.59.6-158.6-42.4-43.5000118S483S483-D485 VanDerWaalsContact C-N 3.32Å; S483-D485 WeakPolarHBondContact CB-OD2 3.25Å; S483-D485 PolarHBondContact O-N 3.38Å; S483-D485 PolarHBondContact OG-OD2 3.16Å
486E55.8Low60.3Low51 Ų5194.1 Ų94.124%0.23848%0.483CS..  trans-121.5104.7-179.9-78.3179.6-175.900111.8K397 E484 S488K397-E486 WeakPolarHBondContact CD-OE1 3.32Å; K397-E486 WeakPolarHBondContact CE-OE1 3.44Å; K397-E486 IonicContact NZ-OE1 2.84Å; K397-E486 PolarHBondContact NZ-OE1 2.85Å; E484-E486 PolarHBondContact O-N 2.99Å; E486-S488 PolarHBondContact O-N 3.34Å
487D62.3Low61.2Low105 Ų10597.2 Ų97.256%0.56149%0.486SS*.  trans-69.1126.1161.7-168.71.5000108.9E489 R494D487-E489 WeakPolarHBondContact OD1-CB 3.49Å; D487-E489 WeakPolarHBondContact OD1-CG 3.33Å; D487-E489 PolarHBondContact OD1-N 3.21Å; D487-R494 IonicContact OD2-CZ 3.98Å; D487-R494 IonicContact OD2-NE 2.79Å; D487-R494 IonicContact OD2-NH2 3.96Å; D487-R494 PolarHBondContact OD2-NH2 3.17Å
488S61.2Low62.4Low17 Ų1790.1 Ų90.112%0.11947%0.472CS..  trans-119.210.5-177.652.80000111.5R400 K456 E486R400-S488 VanDerWaalsContact NH2-CB 3.35Å; K456-S488 PolarHBondContact NZ-O 3.18Å; K456-S488 VanDerWaalsContact NZ-O 3.14Å; K456-S488 PolarHBondContact NZ-OG 3.49Å; E486-S488 PolarHBondContact O-N 3.34Å
489E69.6Low63.7Low58 Ų5889 Ų8927%0.27146%0.462SS..  trans-83.1115.6176-58.7-172.7162.800108.7D487 Y493 R494 K497D487-E489 WeakPolarHBondContact OD1-CB 3.49Å; D487-E489 WeakPolarHBondContact OD1-CG 3.33Å; D487-E489 PolarHBondContact OD1-N 3.21Å; E489-Y493 HydrophobicContact CB-CD1 4.39Å; E489-Y493 HydrophobicContact CG-CD1 4.19Å; E489-R494 HydrophobicContact CB-CG 3.75Å; E489-R494 IonicContact OE2-NE 2.86Å; E489-K497 IonicContact OE1-NZ 3.23Å; E489-K497 PolarHBondContact OE1-NZ 3.18Å; E489-K497 IonicContact OE2-NZ 3.92Å
490T72.9Confident65.3Low28 Ų2884.4 Ų84.417%0.17243%0.428CS..  trans-73.2157.9166.552.40000109.2P406 L407 E492 Y493 R494P406-T490 HydrophobicContact CB-CG2 3.54Å; L407-T490 WeakPolarHBondContact O-CB 3.24Å; L407-T490 VanDerWaalsContact O-CG2 3.25Å; L407-T490 WeakPolarHBondContact O-CG2 3.41Å; L407-T490 PolarHBondContact O-OG1 2.92Å; T490-E492 VanDerWaalsContact C-N 3.26Å; T490-E492 PolarHBondContact O-N 3.16Å; T490-Y493 PolarHBondContact O-N 3.5Å; T490-Y493 VanDerWaalsContact O-N 3.09Å; T490-Y493 WeakPolarHBondContact OG1-CB 3.2Å; T490-Y493 PolarHBondContact OG1-N 2.95Å; T490-R494 PolarHBondContact O-N 2.87Å
491E69Low66.5Low150 Ų15084.4 Ų84.470%0.70142%0.419SS*.Hα-helixtrans-55.3-45.5174.9-66.3-179.1165.900111Y493 R494 E495E491-Y493 VanDerWaalsContact C-N 3.31Å; E491-Y493 PolarHBondContact O-N 2.94Å; E491-R494 PolarHBondContact O-N 3.39Å; E491-R494 VanDerWaalsContact O-N 3.11Å; E491-E495 PolarHBondContact O-N 3.27Å; E491-E495 VanDerWaalsContact O-N 3.11Å
492E70.3Confident67.4Low100 Ų10082.1 Ų82.147%0.46741%0.408SS..Hα-helixtrans-54.7-42.6174.3-62.3171.6178.900112.7R408 T490 A496R408-E492 WeakPolarHBondContact CA-OE2 3.16Å; R408-E492 WeakPolarHBondContact CB-OE2 3.37Å; R408-E492 WeakPolarHBondContact CG-OE2 3.3Å; T490-E492 VanDerWaalsContact C-N 3.26Å; T490-E492 PolarHBondContact O-N 3.16Å; E492-A496 WeakPolarHBondContact O-CB 3.49Å; E492-A496 PolarHBondContact O-N 3.31Å
493Y74.1Confident68.2Low24 Ų2485.4 Ų85.49%0.09443%0.427CS..Hα-helixtrans-72-37.5178.3-174.6-93000112.1L407 V410 K456 E489 T490 E491 E495 A496 K497 I500L407-Y493 HydrophobicContact CB-CD2 4.27Å; L407-Y493 HydrophobicContact CD1-CD2 3.85Å; L407-Y493 HydrophobicContact CD1-CE2 3.82Å; V410-Y493 HydrophobicContact CG1-CD2 3.78Å; V410-Y493 HydrophobicContact CG1-CE2 4.47Å; K456-Y493 HydrophobicContact CD-CD1 4.05Å; K456-Y493 HydrophobicContact CD-CD2 4.36Å; K456-Y493 HydrophobicContact CD-CE1 3.43Å; K456-Y493 VanDerWaalsContact CD-CE1 3.43Å; K456-Y493 HydrophobicContact CD-CE2 3.81Å; K456-Y493 HydrophobicContact CD-CG 4.49Å; K456-Y493 WeakPolarHBondContact CD-OH 3.5Å; K456-Y493 HydrophobicContact CG-CE1 4.17Å; K456-Y493 HydrophobicContact CG-CE2 3.74Å; K456-Y493 VanDerWaalsContact CG-CZ 3.5Å; K456-Y493 WeakPolarHBondContact CG-OH 3.33Å; E489-Y493 HydrophobicContact CB-CD1 4.39Å; E489-Y493 HydrophobicContact CG-CD1 4.19Å; T490-Y493 PolarHBondContact O-N 3.5Å; T490-Y493 VanDerWaalsContact O-N 3.09Å; T490-Y493 WeakPolarHBondContact OG1-CB 3.2Å; T490-Y493 PolarHBondContact OG1-N 2.95Å; E491-Y493 VanDerWaalsContact C-N 3.31Å; E491-Y493 PolarHBondContact O-N 2.94Å; Y493-E495 VanDerWaalsContact C-N 3.32Å; Y493-E495 PolarHBondContact O-N 3.47Å; Y493-A496 PolarHBondContact O-N 3.05Å; Y493-K497 HydrophobicContact CE1-CB 4.37Å; Y493-K497 HydrophobicContact CE1-CD 4.22Å; Y493-K497 HydrophobicContact CE1-CG 4.25Å; Y493-K497 VanDerWaalsContact O-CB 3.3Å; Y493-K497 WeakPolarHBondContact O-CB 3.4Å; Y493-K497 PolarHBondContact O-N 3.45Å; Y493-I500 HydrophobicContact CD2-CD1 3.97Å; Y493-I500 HydrophobicContact CE2-CD1 3.51Å
494R76.2Confident69.1Low121 Ų12184.5 Ų84.546%0.45742%0.419SS..Hα-helixtrans-63.6-39.8179-70.4-171.6-165137.60.7111.8D487 E489 T490 E491D487-R494 IonicContact OD2-CZ 3.98Å; D487-R494 IonicContact OD2-NE 2.79Å; D487-R494 IonicContact OD2-NH2 3.96Å; D487-R494 PolarHBondContact OD2-NH2 3.17Å; E489-R494 HydrophobicContact CB-CG 3.75Å; E489-R494 IonicContact OE2-NE 2.86Å; T490-R494 PolarHBondContact O-N 2.87Å; E491-R494 PolarHBondContact O-N 3.39Å; E491-R494 VanDerWaalsContact O-N 3.11Å
495E71.8Confident70.1Confident151 Ų15177 Ų7771%0.70639%0.388SS*.Hα-helixtrans-67.6-39.5176.2-68.4175.5-17600112E491 Y493E491-E495 PolarHBondContact O-N 3.27Å; E491-E495 VanDerWaalsContact O-N 3.11Å; Y493-E495 VanDerWaalsContact C-N 3.32Å; Y493-E495 PolarHBondContact O-N 3.47Å
496A71.6Confident71.2Confident9 Ų971.6 Ų71.67%0.07436%0.36CS..Hα-helixtrans-78.9-27.6-179.600000114V410 E492 Y493 P498 H499 I500 L507V410-A496 HydrophobicContact CG2-CB 3.87Å; E492-A496 WeakPolarHBondContact O-CB 3.49Å; E492-A496 PolarHBondContact O-N 3.31Å; Y493-A496 PolarHBondContact O-N 3.05Å; A496-P498 VanDerWaalsContact C-CD 3.44Å; A496-P498 VanDerWaalsContact O-N 3.14Å; A496-H499 WeakPolarHBondContact O-CA 3.47Å; A496-H499 PolarHBondContact O-N 2.97Å; A496-I500 HydrophobicContact CB-CD1 4.04Å; A496-I500 HydrophobicContact CB-CG1 4.3Å; A496-I500 WeakPolarHBondContact O-CG1 3.39Å; A496-I500 PolarHBondContact O-N 3.11Å; A496-L507 HydrophobicContact CB-CD1 3.83Å
497K72.8Confident72.2Confident104 Ų10472 Ų7245%0.45236%0.364SS..G310 helixtrans-43.3-46.4-174.4-171.9174.4-178.6175.30115.4E489 Y493 H499 I500E489-K497 IonicContact OE1-NZ 3.23Å; E489-K497 PolarHBondContact OE1-NZ 3.18Å; E489-K497 IonicContact OE2-NZ 3.92Å; Y493-K497 HydrophobicContact CE1-CB 4.37Å; Y493-K497 HydrophobicContact CE1-CD 4.22Å; Y493-K497 HydrophobicContact CE1-CG 4.25Å; Y493-K497 VanDerWaalsContact O-CB 3.3Å; Y493-K497 WeakPolarHBondContact O-CB 3.4Å; Y493-K497 PolarHBondContact O-N 3.45Å; K497-H499 PolarHBondContact O-N 3.47Å; K497-I500 PolarHBondContact O-N 3.07Å
498P73.8Confident72.4Confident102 Ų10272.5 Ų72.566%0.66236%0.363SS*.G310 helixtrans-65.7-22178.420.8-30000114.4A496A496-P498 VanDerWaalsContact C-CD 3.44Å; A496-P498 VanDerWaalsContact O-N 3.14Å
499H73.2Confident72.6Confident108 Ų10879.8 Ų79.850%0.540%0.395SS..G310 helixtrans-105.83.8-175.6-54.595.4000113.3A496 K497 L507 E508A496-H499 WeakPolarHBondContact O-CA 3.47Å; A496-H499 PolarHBondContact O-N 2.97Å; K497-H499 PolarHBondContact O-N 3.47Å; H499-L507 HydrophobicContact CB-CD1 4.2Å; H499-L507 HydrophobicContact CB-CG 4.06Å; H499-L507 WeakPolarHBondContact O-CA 3.42Å; H499-E508 PolarHBondContact O-N 2.85Å; H499-E508 VanDerWaalsContact O-N 3.11Å
500I76.9Confident72.2Confident23 Ų2385.8 Ų85.812%0.11842%0.423CS..EExtended strand (participates in β ladder)trans-85.3122.6178.2-68.6169.9000109.7V410 Y493 A496 K497 L502V410-I500 HydrophobicContact CB-CD1 4.31Å; V410-I500 HydrophobicContact CG1-CD1 4.22Å; Y493-I500 HydrophobicContact CD2-CD1 3.97Å; Y493-I500 HydrophobicContact CE2-CD1 3.51Å; A496-I500 HydrophobicContact CB-CD1 4.04Å; A496-I500 HydrophobicContact CB-CG1 4.3Å; A496-I500 WeakPolarHBondContact O-CG1 3.39Å; A496-I500 PolarHBondContact O-N 3.11Å; K497-I500 PolarHBondContact O-N 3.07Å; I500-L502 PolarHBondContact O-N 2.7Å
501N77.4Confident71.8Confident38 Ų3892.4 Ų92.420%0.20345%0.452CS..EExtended strand (participates in β ladder)trans-70.2120.8169.2177.6-26.7000109.6I503 T504 G505 V506 E508N501-I503 VanDerWaalsContact C-N 3.26Å; N501-I503 PolarHBondContact O-N 3.45Å; N501-I503 WeakPolarHBondContact OD1-CA 3.33Å; N501-I503 VanDerWaalsContact OD1-CB 3.25Å; N501-I503 WeakPolarHBondContact OD1-CB 3.15Å; N501-I503 PolarHBondContact OD1-N 3.43Å; N501-T504 WeakPolarHBondContact CB-OG1 3.35Å; N501-T504 PolarHBondContact O-N 3.28Å; N501-T504 PolarHBondContact OD1-N 3.29Å; N501-G505 WeakPolarHBondContact O-CA 3.47Å; N501-G505 PolarHBondContact O-N 2.98Å; N501-V506 PolarHBondContact N-O 2.86Å; N501-E508 HydrophobicContact CB-CG 3.75Å; N501-E508 PolarHBondContact ND2-OE1 2.77Å
502L73.3Confident71.9Confident126 Ų12690.4 Ų90.466%0.6645%0.452SS*.THydrogen-bonded Turntrans-61.5-31.9-178.2-66.7170.3000113.3Y460 I500Y460-L502 WeakPolarHBondContact CB-O 3.37Å; Y460-L502 PolarHBondContact N-O 2.99Å; I500-L502 PolarHBondContact O-N 2.7Å
503I75Confident71.9Confident109 Ų10991.1 Ų91.156%0.55946%0.459SS*.THydrogen-bonded Turntrans-68.2-50.8-179.7-57.2177000110.3Y460 G461 N501Y460-I503 PolarHBondContact N-O 2.94Å; G461-I503 PolarHBondContact N-O 3.47Å; N501-I503 VanDerWaalsContact C-N 3.26Å; N501-I503 PolarHBondContact O-N 3.45Å; N501-I503 WeakPolarHBondContact OD1-CA 3.33Å; N501-I503 VanDerWaalsContact OD1-CB 3.25Å; N501-I503 WeakPolarHBondContact OD1-CB 3.15Å; N501-I503 PolarHBondContact OD1-N 3.43Å
504T70.4Confident71.8Confident43 Ų4394.8 Ų94.826%0.26449%0.486SS..THydrogen-bonded Turntrans-90.4-20-174.459.50000113.2P414 N501 V506P414-T504 VanDerWaalsContact CD-O 3.26Å; P414-T504 WeakPolarHBondContact CD-O 3.03Å; N501-T504 WeakPolarHBondContact CB-OG1 3.35Å; N501-T504 PolarHBondContact O-N 3.28Å; N501-T504 PolarHBondContact OD1-N 3.29Å; T504-V506 PolarHBondContact O-N 2.84Å
505G71.4Confident71.5Confident15 Ų1593.1 Ų93.116%0.15548%0.484CS..THydrogen-bonded Turntrans69.817.5-175.200000114N501N501-G505 WeakPolarHBondContact O-CA 3.47Å; N501-G505 PolarHBondContact O-N 2.98Å
506V76.9Confident71.6Confident22 Ų2292.6 Ų92.613%0.13348%0.482CS..EExtended strand (participates in β ladder)trans-120.5146.8-174.5174.20000110.4K411 R413 N501 T504 E508K411-V506 WeakPolarHBondContact O-CG1 3.44Å; R413-V506 VanDerWaalsContact CA-CG2 3.47Å; R413-V506 HydrophobicContact CB-CG2 4.13Å; R413-V506 HydrophobicContact CG-CG2 3.67Å; N501-V506 PolarHBondContact N-O 2.86Å; T504-V506 PolarHBondContact O-N 2.84Å; V506-E508 PolarHBondContact O-N 3.11Å
507L76.8Confident71.7Confident59 Ų5996 Ų9631%0.30952%0.517SS..EExtended strand (participates in β ladder)trans-63.3116.2168.5-170.8144.2000109.6V410 A496 H499 E509V410-L507 PolarHBondContact O-N 3.12Å; V410-L507 VanDerWaalsContact O-N 3.1Å; A496-L507 HydrophobicContact CB-CD1 3.83Å; H499-L507 HydrophobicContact CB-CD1 4.2Å; H499-L507 HydrophobicContact CB-CG 4.06Å; H499-L507 WeakPolarHBondContact O-CA 3.42Å; L507-E509 PolarHBondContact O-N 2.73Å
508E65.7Low72Confident115 Ų11594.2 Ų94.254%0.53751%0.512SS..PPolyproline II helixtrans-71.5125.2175.8-77.5-172.8159.700109.5H499 N501 V506 E510H499-E508 PolarHBondContact O-N 2.85Å; H499-E508 VanDerWaalsContact O-N 3.11Å; N501-E508 HydrophobicContact CB-CG 3.75Å; N501-E508 PolarHBondContact ND2-OE1 2.77Å; V506-E508 PolarHBondContact O-N 3.11Å; E508-E510 PolarHBondContact O-N 2.76Å
509E65.1Low72.5Confident171 Ų17193 Ų9380%0.79950%0.502SS*.PPolyproline II helixtrans-63.9131.3163.6-64.5-177.7169.600107.4L507 Q511L507-E509 PolarHBondContact O-N 2.73Å; E509-Q511 PolarHBondContact O-N 2.94Å
510E61.7Low73Confident184 Ų18493.1 Ų93.186%0.8651%0.506SS*.  trans-54109175.5-72.7-17716400108.6E508E508-E510 PolarHBondContact O-N 2.76Å
511Q63.6Low73.3Confident167 Ų16799.6 Ų99.678%0.7854%0.536SS*.PPolyproline II helixtrans-68.4137.1175.9-68.5-160.5-4.200108.4E509 N513E509-Q511 PolarHBondContact O-N 2.94Å; Q511-N513 PolarHBondContact O-N 3.46Å
512P71.3Confident73.5Confident107 Ų107102.5 Ų102.570%0.69555%0.549SS*.PPolyproline II helixtrans-56.8137.4173.624.6-32.5000108.6P514P512-P514 VanDerWaalsContact O-CD 3.29Å; P512-P514 WeakPolarHBondContact O-CD 3.37Å; P512-P514 VanDerWaalsContact O-N 3.1Å
513N71.3Confident73.9Confident115 Ų11599.9 Ų99.962%0.61553%0.532SS*.PPolyproline II helixtrans-57.6120.7-176-82.5-48000108.7Q511 M515 E516Q511-N513 PolarHBondContact O-N 3.46Å; N513-M515 PolarHBondContact O-N 3.09Å; N513-E516 HydrophobicContact CB-CB 3.95Å; N513-E516 WeakPolarHBondContact O-CB 3.5Å; N513-E516 PolarHBondContact O-N 3.31Å
514P70.8Confident74.3Confident102 Ų102101.4 Ų101.466%0.66254%0.537SS*.THydrogen-bonded Turntrans-61-17.3-177.1-2433000113.6P512 M518P512-P514 VanDerWaalsContact O-CD 3.29Å; P512-P514 WeakPolarHBondContact O-CD 3.37Å; P512-P514 VanDerWaalsContact O-N 3.1Å; P514-M518 WeakPolarHBondContact O-CE 3.32Å
515M70.8Confident75Confident85 Ų85107.2 Ų107.242%0.41956%0.555SS.*THydrogen-bonded Turntrans-96.9-1.3-179.7-53.7-61-90.500112.7N513 G517 M518 K523N513-M515 PolarHBondContact O-N 3.09Å; M515-G517 PolarHBondContact O-N 2.92Å; M515-M518 PolarHBondContact O-N 3.41Å; M515-M518 HydrophobicContact SD-SD 3.84Å; M515-K523 HydrophobicContact CE-CB 3.44Å; M515-K523 VanDerWaalsContact CE-CB 3.44Å; M515-K523 HydrophobicContact CE-CD 3.94Å; M515-K523 HydrophobicContact CE-CG 3.42Å; M515-K523 VanDerWaalsContact CE-CG 3.42Å
516E74Confident75.6Confident141 Ų141110.1 Ų110.166%0.65957%0.565SS**THydrogen-bonded Turntrans-70.9120.1178.7-162.2167.4-178.600109.6N513N513-E516 HydrophobicContact CB-CB 3.95Å; N513-E516 WeakPolarHBondContact O-CB 3.5Å; N513-E516 PolarHBondContact O-N 3.31Å
517G72.9Confident76Confident80 Ų80111.7 Ų111.783%0.82558%0.58SS**THydrogen-bonded Turntrans88.7-0.6-174.200000115.6M515M515-G517 PolarHBondContact O-N 2.92Å
518M80.6Confident76.4Confident67 Ų67114.8 Ų114.833%0.3359%0.594SS.*  trans-86.1138.2171.8-67.9-172.7-178.200111.9P514 M515 Q522 K523P514-M518 WeakPolarHBondContact O-CE 3.32Å; M515-M518 PolarHBondContact O-N 3.41Å; M515-M518 HydrophobicContact SD-SD 3.84Å; M518-Q522 HydrophobicContact CB-CB 4.23Å; M518-K523 HydrophobicContact CB-CG 4.01Å; M518-K523 WeakPolarHBondContact O-CE 3.12Å
519T84.5Confident77.4Confident76 Ų76113.5 Ų113.547%0.46659%0.587SS.*  trans-71.7155.6168.360.40000110.8E521 Q522 K523T519-E521 PolarHBondContact O-N 2.66Å; T519-Q522 VanDerWaalsContact N-OE1 3.16Å; T519-Q522 WeakPolarHBondContact O-CA 3.32Å; T519-Q522 WeakPolarHBondContact O-CB 3.44Å; T519-Q522 PolarHBondContact O-N 2.84Å; T519-Q522 WeakPolarHBondContact OG1-CG 3.33Å; T519-K523 WeakPolarHBondContact O-CG 3.26Å; T519-K523 PolarHBondContact O-N 2.71Å; T519-K523 VanDerWaalsContact O-N 3.08Å
520D83Confident78.3Confident110 Ų110110.1 Ų110.159%0.58857%0.574SS**Hα-helixtrans-59.8-33.7-176.3-63.8-31.5000112.9Q522 K523 E524D520-Q522 VanDerWaalsContact C-N 3.35Å; D520-Q522 PolarHBondContact O-N 3.02Å; D520-K523 WeakPolarHBondContact O-CB 3.43Å; D520-K523 PolarHBondContact O-N 3.14Å; D520-K523 IonicContact OD1-NZ 2.84Å; D520-K523 PolarHBondContact OD1-NZ 3.24Å; D520-E524 PolarHBondContact O-N 3.32Å
521E83.4Confident79.3Confident159 Ų159105.5 Ų105.574%0.74356%0.558SS**Hα-helixtrans-62.1-37.8172.2-63.7175.7173.200113T519 K523 E524 Y525T519-E521 PolarHBondContact O-N 2.66Å; E521-K523 VanDerWaalsContact C-N 3.35Å; E521-E524 PolarHBondContact O-N 3.01Å; E521-Y525 WeakPolarHBondContact O-CB 3.47Å; E521-Y525 PolarHBondContact O-N 2.93Å
522Q81.2Confident80.3Confident100 Ų100101.8 Ų101.847%0.46754%0.543SS..Hα-helixtrans-70.1-35.6176.3-71.7171.9-17.200111.3M518 T519 D520 Y525 E526M518-Q522 HydrophobicContact CB-CB 4.23Å; T519-Q522 VanDerWaalsContact N-OE1 3.16Å; T519-Q522 WeakPolarHBondContact O-CA 3.32Å; T519-Q522 WeakPolarHBondContact O-CB 3.44Å; T519-Q522 PolarHBondContact O-N 2.84Å; T519-Q522 WeakPolarHBondContact OG1-CG 3.33Å; D520-Q522 VanDerWaalsContact C-N 3.35Å; D520-Q522 PolarHBondContact O-N 3.02Å; Q522-Y525 PolarHBondContact O-N 3.01Å; Q522-E526 PolarHBondContact O-N 2.88Å
523K81.8Confident80.7Confident70 Ų70101.7 Ų101.730%0.30454%0.535SS..Hα-helixtrans-64.4-44.6175.1-57.4-176.5-171148.50111.2M515 M518 T519 D520 E521 Y525 E526 A527M515-K523 HydrophobicContact CE-CB 3.44Å; M515-K523 VanDerWaalsContact CE-CB 3.44Å; M515-K523 HydrophobicContact CE-CD 3.94Å; M515-K523 HydrophobicContact CE-CG 3.42Å; M515-K523 VanDerWaalsContact CE-CG 3.42Å; M518-K523 HydrophobicContact CB-CG 4.01Å; M518-K523 WeakPolarHBondContact O-CE 3.12Å; T519-K523 WeakPolarHBondContact O-CG 3.26Å; T519-K523 PolarHBondContact O-N 2.71Å; T519-K523 VanDerWaalsContact O-N 3.08Å; D520-K523 WeakPolarHBondContact O-CB 3.43Å; D520-K523 PolarHBondContact O-N 3.14Å; D520-K523 IonicContact OD1-NZ 2.84Å; D520-K523 PolarHBondContact OD1-NZ 3.24Å; E521-K523 VanDerWaalsContact C-N 3.35Å; K523-Y525 VanDerWaalsContact C-N 3.34Å; K523-Y525 PolarHBondContact O-N 2.84Å; K523-E526 PolarHBondContact O-N 3.29Å; K523-A527 VanDerWaalsContact O-CB 3.32Å; K523-A527 WeakPolarHBondContact O-CB 3.3Å; K523-A527 PolarHBondContact O-N 3.27Å
524E82.6Confident81Confident142 Ų142102.7 Ų102.766%0.66453%0.534SS*.Hα-helixtrans-62.1-41.3175.6-73.3-177178.300112D520 E521 A527 M528D520-E524 PolarHBondContact O-N 3.32Å; E521-E524 PolarHBondContact O-N 3.01Å; E524-A527 PolarHBondContact O-N 3.46Å; E524-M528 WeakPolarHBondContact O-CB 3.44Å; E524-M528 PolarHBondContact O-N 2.93Å
525Y85.8Confident81.4Confident164 Ų164100.7 Ų100.764%0.64352%0.518SS*.Hα-helixtrans-63.3-47.1177.7-176.8-95.9000112.7E521 Q522 K523 A527 M528 K529E521-Y525 WeakPolarHBondContact O-CB 3.47Å; E521-Y525 PolarHBondContact O-N 2.93Å; Q522-Y525 PolarHBondContact O-N 3.01Å; K523-Y525 VanDerWaalsContact C-N 3.34Å; K523-Y525 PolarHBondContact O-N 2.84Å; Y525-A527 VanDerWaalsContact C-N 3.34Å; Y525-M528 PolarHBondContact O-N 3.38Å; Y525-K529 WeakPolarHBondContact O-CB 3.49Å; Y525-K529 PolarHBondContact O-N 3.08Å
526E83.6Confident81.8Confident77 Ų77105.2 Ų105.236%0.3653%0.53SS..Hα-helixtrans-67-35176.1-75-64.7148.300111.8Q522 K523 K529 L530Q522-E526 PolarHBondContact O-N 2.88Å; K523-E526 PolarHBondContact O-N 3.29Å; E526-K529 VanDerWaalsContact CD-NZ 3.29Å; E526-K529 WeakPolarHBondContact O-CB 3.21Å; E526-K529 PolarHBondContact O-N 3.41Å; E526-K529 IonicContact OE1-NZ 2.84Å; E526-K529 PolarHBondContact OE1-NZ 3.49Å; E526-K529 WeakPolarHBondContact OE2-CD 3.43Å; E526-K529 IonicContact OE2-NZ 3.63Å; E526-K529 PolarHBondContact OE2-NZ 2.69Å; E526-L530 WeakPolarHBondContact O-CB 3.44Å; E526-L530 PolarHBondContact O-N 3.4Å
527A85.6Confident81.7Confident54 Ų54101.5 Ų101.545%0.44651%0.514SS..Hα-helixtrans-61.7-45.6172.500000111.8K523 E524 Y525 K529 L530 V531K523-A527 VanDerWaalsContact O-CB 3.32Å; K523-A527 WeakPolarHBondContact O-CB 3.3Å; K523-A527 PolarHBondContact O-N 3.27Å; E524-A527 PolarHBondContact O-N 3.46Å; Y525-A527 VanDerWaalsContact C-N 3.34Å; A527-K529 VanDerWaalsContact C-N 3.28Å; A527-K529 PolarHBondContact O-N 3.23Å; A527-L530 WeakPolarHBondContact O-CB 3.14Å; A527-L530 PolarHBondContact O-N 3.3Å; A527-V531 WeakPolarHBondContact O-CG2 3.18Å; A527-V531 PolarHBondContact O-N 3.49Å
528M85.1Confident81.6Confident124 Ų124101.8 Ų101.861%0.61150%0.503SS*.Hα-helixtrans-65.3-33.6178.4-155.566.1164.900112.1E524 Y525 N532E524-M528 WeakPolarHBondContact O-CB 3.44Å; E524-M528 PolarHBondContact O-N 2.93Å; Y525-M528 PolarHBondContact O-N 3.38Å; M528-N532 WeakPolarHBondContact O-CB 3.45Å; M528-N532 PolarHBondContact O-N 3.27Å; M528-N532 PolarHBondContact O-ND2 2.81Å; M528-N532 VanDerWaalsContact O-ND2 3.07Å
529K85.9Confident81.5Confident88 Ų88107.6 Ų107.638%0.38352%0.522SS..Hα-helixtrans-68.1-40.4173.2-177.6-179.5164.6-151.80111.9Y525 E526 A527 N532 M533Y525-K529 WeakPolarHBondContact O-CB 3.49Å; Y525-K529 PolarHBondContact O-N 3.08Å; E526-K529 VanDerWaalsContact CD-NZ 3.29Å; E526-K529 WeakPolarHBondContact O-CB 3.21Å; E526-K529 PolarHBondContact O-N 3.41Å; E526-K529 IonicContact OE1-NZ 2.84Å; E526-K529 PolarHBondContact OE1-NZ 3.49Å; E526-K529 WeakPolarHBondContact OE2-CD 3.43Å; E526-K529 IonicContact OE2-NZ 3.63Å; E526-K529 PolarHBondContact OE2-NZ 2.69Å; A527-K529 VanDerWaalsContact C-N 3.28Å; A527-K529 PolarHBondContact O-N 3.23Å; K529-N532 PolarHBondContact O-N 2.77Å; K529-M533 WeakPolarHBondContact O-CG 3.25Å; K529-M533 PolarHBondContact O-N 2.94Å
530L84.8Confident81Confident101 Ų101107.9 Ų107.953%0.52952%0.523SS..Hα-helixtrans-63-44.4174.6-155.997000111.3E526 A527 N532 M533 F534E526-L530 WeakPolarHBondContact O-CB 3.44Å; E526-L530 PolarHBondContact O-N 3.4Å; A527-L530 WeakPolarHBondContact O-CB 3.14Å; A527-L530 PolarHBondContact O-N 3.3Å; L530-N532 PolarHBondContact O-N 3.44Å; L530-M533 WeakPolarHBondContact O-CB 3.09Å; L530-M533 PolarHBondContact O-N 3.47Å; L530-M533 VanDerWaalsContact O-N 3.12Å; L530-F534 HydrophobicContact CD2-CD2 4.11Å; L530-F534 HydrophobicContact CD2-CE2 3.61Å; L530-F534 HydrophobicContact CG-CD2 4.13Å; L530-F534 HydrophobicContact CG-CE2 3.92Å; L530-F534 VanDerWaalsContact O-CD2 3.32Å; L530-F534 WeakPolarHBondContact O-CD2 3.41Å; L530-F534 PolarHBondContact O-N 3.11Å
531V83.3Confident80.2Confident86 Ų86109.4 Ų109.452%0.52153%0.532SS..Hα-helixtrans-59.9-45.8175.3170.90000111A527 M533 F534 D535A527-V531 WeakPolarHBondContact O-CG2 3.18Å; A527-V531 PolarHBondContact O-N 3.49Å; V531-M533 VanDerWaalsContact C-N 3.28Å; V531-M533 PolarHBondContact O-N 3.28Å; V531-F534 PolarHBondContact O-N 2.94Å; V531-D535 WeakPolarHBondContact O-CB 3.49Å; V531-D535 PolarHBondContact O-N 3.32Å
532N83.6Confident79.3Confident89 Ų89108 Ų10848%0.47653%0.529SS..Hα-helixtrans-62.7-34.8175.5-78.3-39.7000112.3M528 K529 L530 R536M528-N532 WeakPolarHBondContact O-CB 3.45Å; M528-N532 PolarHBondContact O-N 3.27Å; M528-N532 PolarHBondContact O-ND2 2.81Å; M528-N532 VanDerWaalsContact O-ND2 3.07Å; K529-N532 PolarHBondContact O-N 2.77Å; L530-N532 PolarHBondContact O-N 3.44Å; N532-R536 WeakPolarHBondContact O-CB 3.47Å; N532-R536 WeakPolarHBondContact O-CG 3.48Å; N532-R536 PolarHBondContact O-N 3.3Å; N532-R536 VanDerWaalsContact O-N 3.08Å
533M80.2Confident78.6Confident105 Ų105108.8 Ų108.852%0.51754%0.535SS..Hα-helixtrans-66.9-44.3173.3-76.4177.3141.300111.8K529 L530 V531 R536 L537K529-M533 WeakPolarHBondContact O-CG 3.25Å; K529-M533 PolarHBondContact O-N 2.94Å; L530-M533 WeakPolarHBondContact O-CB 3.09Å; L530-M533 PolarHBondContact O-N 3.47Å; L530-M533 VanDerWaalsContact O-N 3.12Å; V531-M533 VanDerWaalsContact C-N 3.28Å; V531-M533 PolarHBondContact O-N 3.28Å; M533-R536 PolarHBondContact O-N 3.09Å; M533-L537 WeakPolarHBondContact O-CB 3.38Å; M533-L537 VanDerWaalsContact O-CG 3.32Å; M533-L537 WeakPolarHBondContact O-CG 3.41Å; M533-L537 PolarHBondContact O-N 3.17Å
534F77.4Confident78.1Confident136 Ų136111 Ų11160%0.59655%0.546SS*.Hα-helixtrans-63-44.5176-85.4-66.6000112.6L530 V531 R536 L537 S538L530-F534 HydrophobicContact CD2-CD2 4.11Å; L530-F534 HydrophobicContact CD2-CE2 3.61Å; L530-F534 HydrophobicContact CG-CD2 4.13Å; L530-F534 HydrophobicContact CG-CE2 3.92Å; L530-F534 VanDerWaalsContact O-CD2 3.32Å; L530-F534 WeakPolarHBondContact O-CD2 3.41Å; L530-F534 PolarHBondContact O-N 3.11Å; V531-F534 PolarHBondContact O-N 2.94Å; F534-R536 VanDerWaalsContact C-N 3.33Å; F534-R536 PolarHBondContact O-N 3.11Å; F534-L537 PolarHBondContact O-N 2.96Å; F534-S538 WeakPolarHBondContact O-CB 3.08Å; F534-S538 PolarHBondContact O-N 3.37Å
535D79Confident77.4Confident60 Ų60107.1 Ų107.132%0.32153%0.534SS..Hα-helixtrans-61.6-42.3176.5179.365.9000111.1V531 S538 R539V531-D535 WeakPolarHBondContact O-CB 3.49Å; V531-D535 PolarHBondContact O-N 3.32Å; D535-S538 PolarHBondContact O-N 2.61Å; D535-R539 VanDerWaalsContact CG-NE 3.26Å; D535-R539 WeakPolarHBondContact O-CB 3.35Å; D535-R539 VanDerWaalsContact O-CG 3.26Å; D535-R539 WeakPolarHBondContact O-CG 3.43Å; D535-R539 PolarHBondContact O-N 3.37Å; D535-R539 IonicContact OD1-CZ 3.86Å; D535-R539 VanDerWaalsContact OD1-CZ 3.29Å; D535-R539 IonicContact OD1-NE 2.64Å; D535-R539 PolarHBondContact OD1-NE 3.02Å; D535-R539 IonicContact OD1-NH2 3.67Å; D535-R539 PolarHBondContact OD1-NH2 3.22Å; D535-R539 IonicContact OD2-CZ 3.59Å; D535-R539 IonicContact OD2-NE 3.76Å; D535-R539 PolarHBondContact OD2-NE 3.47Å; D535-R539 IonicContact OD2-NH1 2.99Å; D535-R539 IonicContact OD2-NH2 3.7Å; D535-R539 PolarHBondContact OD2-NH2 3.38Å
536R79.6Confident77Confident181 Ų181104 Ų10468%0.68353%0.526SS*.Hα-helixtrans-63.5-43174.7-74.8176.767.9-171.30.3112.7N532 M533 F534 T540N532-R536 WeakPolarHBondContact O-CB 3.47Å; N532-R536 WeakPolarHBondContact O-CG 3.48Å; N532-R536 PolarHBondContact O-N 3.3Å; N532-R536 VanDerWaalsContact O-N 3.08Å; M533-R536 PolarHBondContact O-N 3.09Å; F534-R536 VanDerWaalsContact C-N 3.33Å; F534-R536 PolarHBondContact O-N 3.11Å; R536-T540 WeakPolarHBondContact O-CB 3.39Å; R536-T540 WeakPolarHBondContact O-CG2 3.32Å; R536-T540 PolarHBondContact O-N 2.93Å; R536-T540 PolarHBondContact O-OG1 2.95Å
537L72.6Confident76.6Confident63 Ų63103.5 Ų103.533%0.3352%0.524SS..Hα-helixtrans-66.7-40.8178.5-77166000112M533 F534 T540 N541 L542 I543M533-L537 WeakPolarHBondContact O-CB 3.38Å; M533-L537 VanDerWaalsContact O-CG 3.32Å; M533-L537 WeakPolarHBondContact O-CG 3.41Å; M533-L537 PolarHBondContact O-N 3.17Å; F534-L537 PolarHBondContact O-N 2.96Å; L537-T540 WeakPolarHBondContact CA-OG1 3.46Å; L537-T540 PolarHBondContact O-N 3.12Å; L537-T540 PolarHBondContact O-OG1 3.4Å; L537-T540 VanDerWaalsContact O-OG1 3.11Å; L537-N541 PolarHBondContact O-N 3.05Å; L537-L542 HydrophobicContact CD2-CB 4.46Å; L537-L542 HydrophobicContact CD2-CD1 4.39Å; L537-I543 HydrophobicContact CD1-CD1 4.29Å; L537-I543 HydrophobicContact CD2-CD1 4.28Å
538S71.2Confident75.9Confident85 Ų85103.5 Ų103.559%0.59452%0.516SS*.Hα-helixtrans-64.7-46.1176.6178.80000111.5F534 D535 T540 N541F534-S538 WeakPolarHBondContact O-CB 3.08Å; F534-S538 PolarHBondContact O-N 3.37Å; D535-S538 PolarHBondContact O-N 2.61Å; S538-T540 VanDerWaalsContact C-N 3.27Å; S538-T540 PolarHBondContact O-N 2.88Å; S538-N541 PolarHBondContact O-N 3.4Å
539R77.4Confident75.3Confident189 Ų189100.1 Ų100.171%0.71350%0.5SS*.Hα-helixtrans-68.4-23.2179.6-70.4178.3-167.8-160.59.6114.2D535D535-R539 VanDerWaalsContact CG-NE 3.26Å; D535-R539 WeakPolarHBondContact O-CB 3.35Å; D535-R539 VanDerWaalsContact O-CG 3.26Å; D535-R539 WeakPolarHBondContact O-CG 3.43Å; D535-R539 PolarHBondContact O-N 3.37Å; D535-R539 IonicContact OD1-CZ 3.86Å; D535-R539 VanDerWaalsContact OD1-CZ 3.29Å; D535-R539 IonicContact OD1-NE 2.64Å; D535-R539 PolarHBondContact OD1-NE 3.02Å; D535-R539 IonicContact OD1-NH2 3.67Å; D535-R539 PolarHBondContact OD1-NH2 3.22Å; D535-R539 IonicContact OD2-CZ 3.59Å; D535-R539 IonicContact OD2-NE 3.76Å; D535-R539 PolarHBondContact OD2-NE 3.47Å; D535-R539 IonicContact OD2-NH1 2.99Å; D535-R539 IonicContact OD2-NH2 3.7Å; D535-R539 PolarHBondContact OD2-NH2 3.38Å
540T74.2Confident74.3Confident82 Ų82100.8 Ų100.850%0.50352%0.516SS..THydrogen-bonded Turntrans-89.7-2179.446.60000113.4R536 L537 S538 L542R536-T540 WeakPolarHBondContact O-CB 3.39Å; R536-T540 WeakPolarHBondContact O-CG2 3.32Å; R536-T540 PolarHBondContact O-N 2.93Å; R536-T540 PolarHBondContact O-OG1 2.95Å; L537-T540 WeakPolarHBondContact CA-OG1 3.46Å; L537-T540 PolarHBondContact O-N 3.12Å; L537-T540 PolarHBondContact O-OG1 3.4Å; L537-T540 VanDerWaalsContact O-OG1 3.11Å; S538-T540 VanDerWaalsContact C-N 3.27Å; S538-T540 PolarHBondContact O-N 2.88Å; T540-L542 PolarHBondContact O-N 3.31Å; T540-L542 WeakPolarHBondContact OG1-CD1 3.43Å
541N67.1Low73.2Confident142 Ų142101.7 Ų101.776%0.75952%0.521SS*.THydrogen-bonded Turntrans5027.4-175.9-74-30000113.8L537 S538 I543L537-N541 PolarHBondContact O-N 3.05Å; S538-N541 PolarHBondContact O-N 3.4Å; N541-I543 VanDerWaalsContact C-N 3.29Å; N541-I543 PolarHBondContact O-N 3.11Å
542L63.7Low72.3Confident130 Ų13097.9 Ų97.968%0.68150%0.499SS*.  trans-73.3-22.7179.5-81.6167000112.6L537 T540L537-L542 HydrophobicContact CD2-CB 4.46Å; L537-L542 HydrophobicContact CD2-CD1 4.39Å; T540-L542 PolarHBondContact O-N 3.31Å; T540-L542 WeakPolarHBondContact OG1-CD1 3.43Å
543I66Low71.6Confident116 Ų116101.1 Ų101.160%0.59551%0.509SS*.  trans-127.3118.9-179.7-55178.6000108.2L537 N541L537-I543 HydrophobicContact CD1-CD1 4.29Å; L537-I543 HydrophobicContact CD2-CD1 4.28Å; N541-I543 VanDerWaalsContact C-N 3.29Å; N541-I543 PolarHBondContact O-N 3.11Å
544Q71Confident71.2Confident117 Ų117102.3 Ų102.355%0.54752%0.515SS..  trans-106.8117.7177.3-167.8171.914.600109.6M546 E556Q544-M546 PolarHBondContact O-N 2.84Å; Q544-E556 HydrophobicContact CG-CG 4.31Å; Q544-E556 PolarHBondContact NE2-OE1 3.01Å; Q544-E556 PolarHBondContact NE2-OE2 3.38Å
545P69.1Low71.3Confident61 Ų61102.3 Ų102.340%0.39651%0.511SS..  trans-64129.9177.4-20.432.5000111M557P545-M557 HydrophobicContact CB-CB 4.09Å; P545-M557 WeakPolarHBondContact O-CB 3.13Å; P545-M557 PolarHBondContact O-N 3.32Å
546M76.1Confident71.2Confident98 Ų98104.7 Ų104.748%0.48352%0.52SS..EExtended strand (participates in β ladder)trans-120.1146.6177-59.6-165.68200110.7Q544 M554 R555Q544-M546 PolarHBondContact O-N 2.84Å; M546-M554 HydrophobicContact CE-CB 3.7Å; M546-M554 HydrophobicContact SD-CB 4.28Å; M546-M554 HydrophobicContact SD-SD 4.36Å; M546-R555 CarbonylContact C-O 3.5Å; M546-R555 VanDerWaalsContact CA-O 3.23Å; M546-R555 WeakPolarHBondContact CA-O 3.46Å; M546-R555 WeakPolarHBondContact CB-O 3.34Å
547Q76.1Confident71Confident67 Ų6797.5 Ų97.531%0.31350%0.495SS..EExtended strand (participates in β ladder)trans-118.8147.9174.6-167.9176.115.800110.3R555 M557Q547-R555 PolarHBondContact N-O 3.07Å; Q547-R555 PolarHBondContact O-N 3.19Å; Q547-M557 HydrophobicContact CB-CB 4.16Å; Q547-M557 HydrophobicContact CB-CE 3.73Å; Q547-M557 HydrophobicContact CB-CG 4.13Å; Q547-M557 HydrophobicContact CG-CE 4.07Å
548L70.8Confident71.1Confident54 Ų5496.8 Ų96.828%0.28349%0.493SS..EExtended strand (participates in β ladder)trans-82.2125171.1-78.3147.7000110.4L473 R474 G552 M554L473-L548 HydrophobicContact CB-CD1 4.35Å; L473-L548 HydrophobicContact CB-CD2 4.02Å; L473-L548 HydrophobicContact CD1-CD2 3.89Å; R474-L548 HydrophobicContact CG-CB 4.06Å; R474-L548 HydrophobicContact CG-CD1 4.34Å; L548-G552 VanDerWaalsContact CD2-O 3.29Å; L548-G552 WeakPolarHBondContact CD2-O 3.42Å; L548-M554 HydrophobicContact CD2-CG 4.34Å
549N72.1Confident70.8Confident53 Ų5398 Ų9828%0.28350%0.497SS..  trans-68.7169.6171.6-71.6-20.8000111.4D551 G552 K553 R555N549-D551 PolarHBondContact O-N 3.1Å; N549-D551 VanDerWaalsContact O-N 3.09Å; N549-G552 PolarHBondContact O-N 3Å; N549-G552 VanDerWaalsContact O-N 3.1Å; N549-K553 PolarHBondContact N-O 2.79Å; N549-R555 WeakPolarHBondContact OD1-CB 3.48Å; N549-R555 WeakPolarHBondContact OD1-CD 3.29Å
550S65.9Low70.2Confident101 Ų10195.4 Ų95.471%0.70649%0.493SS*.THydrogen-bonded Turntrans-50.5-31.6170.8490000112.9G552S550-G552 VanDerWaalsContact C-N 3.31Å; S550-G552 PolarHBondContact O-N 3.4Å
551D61.2Low69.8Low121 Ų12192.9 Ų92.965%0.64748%0.476SS*.THydrogen-bonded Turntrans-92.412.9-173.7-46.9-18.1000112.6N549 K553N549-D551 PolarHBondContact O-N 3.1Å; N549-D551 VanDerWaalsContact O-N 3.09Å; D551-K553 VanDerWaalsContact C-N 3.27Å; D551-K553 PolarHBondContact O-N 3.25Å
552G63.3Low69.6Low6 Ų689.7 Ų89.76%0.06246%0.459CS..SBendtrans75.64175.800000116L548 N549 S550L548-G552 VanDerWaalsContact CD2-O 3.29Å; L548-G552 WeakPolarHBondContact CD2-O 3.42Å; N549-G552 PolarHBondContact O-N 3Å; N549-G552 VanDerWaalsContact O-N 3.1Å; S550-G552 VanDerWaalsContact C-N 3.31Å; S550-G552 PolarHBondContact O-N 3.4Å
553K70.1Confident69.4Low157 Ų15789 Ų8968%0.68346%0.456SS*.  trans-91.3147.4175.8-67.4-176178.4178.20112.3N549 D551N549-K553 PolarHBondContact N-O 2.79Å; D551-K553 VanDerWaalsContact C-N 3.27Å; D551-K553 PolarHBondContact O-N 3.25Å
554M71.4Confident69.1Low129 Ų12989.3 Ų89.364%0.63545%0.453SS*.EExtended strand (participates in β ladder)trans-78.2134.4175.8-65.3-166.6-108.600111.6M546 L548M546-M554 HydrophobicContact CE-CB 3.7Å; M546-M554 HydrophobicContact SD-CB 4.28Å; M546-M554 HydrophobicContact SD-SD 4.36Å; L548-M554 HydrophobicContact CD2-CG 4.34Å
555R79.5Confident68.3Low136 Ų13688.1 Ų88.151%0.51345%0.45SS..EExtended strand (participates in β ladder)trans-130.5149.9175179.8-172.3168.4174-2.4108.8M546 Q547 N549 M557M546-R555 CarbonylContact C-O 3.5Å; M546-R555 VanDerWaalsContact CA-O 3.23Å; M546-R555 WeakPolarHBondContact CA-O 3.46Å; M546-R555 WeakPolarHBondContact CB-O 3.34Å; Q547-R555 PolarHBondContact N-O 3.07Å; Q547-R555 PolarHBondContact O-N 3.19Å; N549-R555 WeakPolarHBondContact OD1-CB 3.48Å; N549-R555 WeakPolarHBondContact OD1-CD 3.29Å; R555-M557 PolarHBondContact O-N 3.18Å
556E77.6Confident67.2Low110 Ų11089.5 Ų89.551%0.51447%0.466SS..EExtended strand (participates in β ladder)trans-56.7130.9168.6-179.7175.3-16200111.3Q544Q544-E556 HydrophobicContact CG-CG 4.31Å; Q544-E556 PolarHBondContact NE2-OE1 3.01Å; Q544-E556 PolarHBondContact NE2-OE2 3.38Å
557M73.8Confident65.5Low30 Ų3090 Ų9015%0.14848%0.475CS..PPolyproline II helixtrans-78.5123.1177.1-164.9-178.6-76.700108.5P545 Q547 R555 D561 L562 L565P545-M557 HydrophobicContact CB-CB 4.09Å; P545-M557 WeakPolarHBondContact O-CB 3.13Å; P545-M557 PolarHBondContact O-N 3.32Å; Q547-M557 HydrophobicContact CB-CB 4.16Å; Q547-M557 HydrophobicContact CB-CE 3.73Å; Q547-M557 HydrophobicContact CB-CG 4.13Å; Q547-M557 HydrophobicContact CG-CE 4.07Å; R555-M557 PolarHBondContact O-N 3.18Å; M557-D561 HydrophobicContact CG-CB 3.57Å; M557-L562 HydrophobicContact CG-CD2 4.41Å; M557-L562 HydrophobicContact CG-CG 4.14Å; M557-L562 HydrophobicContact SD-CD2 3.45Å; M557-L562 WeakPolarHBondContact SD-CD2 3.36Å; M557-L562 HydrophobicContact SD-CG 3.78Å; M557-L565 HydrophobicContact CE-CD1 3.62Å; M557-L565 HydrophobicContact SD-CD1 3.67Å
558T75Confident63.5Low48 Ų4891.3 Ų91.329%0.29448%0.484SS..PPolyproline II helixtrans-79.8163.2179.367.40000111E560 D561 L562T558-E560 PolarHBondContact O-N 3.33Å; T558-E560 VanDerWaalsContact O-N 3.16Å; T558-D561 PolarHBondContact N-OD2 2.9Å; T558-D561 VanDerWaalsContact N-OD2 3.13Å; T558-D561 PolarHBondContact O-N 3.45Å; T558-D561 VanDerWaalsContact OG1-CG 3.29Å; T558-D561 PolarHBondContact OG1-OD2 2.9Å; T558-L562 PolarHBondContact O-N 3.34Å; T558-L562 VanDerWaalsContact O-N 3.15Å
559T66.1Low61.7Low111 Ų11193.7 Ų93.768%0.68150%0.503SS*.Hα-helixtrans-57.7-27.917645.60000112.8N563T559-N563 PolarHBondContact O-N 3.36Å; T559-N563 PolarHBondContact O-ND2 2.92Å
560E64.2Low60.1Low135 Ų13598.1 Ų98.163%0.63153%0.526SS*.Hα-helixtrans-72-34.6173.8-65.8-177.5-179.600113T558 N563 K564T558-E560 PolarHBondContact O-N 3.33Å; T558-E560 VanDerWaalsContact O-N 3.16Å; E560-N563 PolarHBondContact O-N 3.37Å; E560-K564 WeakPolarHBondContact O-CG 3.44Å; E560-K564 PolarHBondContact O-N 2.9Å
561D65Low58.7Low28 Ų28103.2 Ų103.215%0.1554%0.536CS..Hα-helixtrans-73.8-35.9179.8-60.1-44.7000111.6M557 T558 N563 K564 L565M557-D561 HydrophobicContact CG-CB 3.57Å; T558-D561 PolarHBondContact N-OD2 2.9Å; T558-D561 VanDerWaalsContact N-OD2 3.13Å; T558-D561 PolarHBondContact O-N 3.45Å; T558-D561 VanDerWaalsContact OG1-CG 3.29Å; T558-D561 PolarHBondContact OG1-OD2 2.9Å; D561-N563 VanDerWaalsContact C-N 3.32Å; D561-N563 PolarHBondContact O-N 3.49Å; D561-K564 PolarHBondContact O-N 3.03Å; D561-K564 IonicContact OD1-NZ 2.82Å; D561-L565 PolarHBondContact O-N 2.98Å
562L63.3Low57.2Low75 Ų75105.6 Ų105.639%0.39354%0.543SS..Hα-helixtrans-60.7-41.4172.3-75165.9000111.8M557 T558 K564 L565 A566M557-L562 HydrophobicContact CG-CD2 4.41Å; M557-L562 HydrophobicContact CG-CG 4.14Å; M557-L562 HydrophobicContact SD-CD2 3.45Å; M557-L562 WeakPolarHBondContact SD-CD2 3.36Å; M557-L562 HydrophobicContact SD-CG 3.78Å; T558-L562 PolarHBondContact O-N 3.34Å; T558-L562 VanDerWaalsContact O-N 3.15Å; L562-K564 VanDerWaalsContact C-N 3.35Å; L562-K564 PolarHBondContact O-N 3.39Å; L562-L565 PolarHBondContact O-N 3.47Å; L562-A566 PolarHBondContact O-N 3.03Å
563N59.1Low55.6Low115 Ų115110.4 Ų110.462%0.61558%0.576SS**Hα-helixtrans-68.3-32.9177.9-73.6-19.7000112.6T559 E560 D561 A566 T567T559-N563 PolarHBondContact O-N 3.36Å; T559-N563 PolarHBondContact O-ND2 2.92Å; E560-N563 PolarHBondContact O-N 3.37Å; D561-N563 VanDerWaalsContact C-N 3.32Å; D561-N563 PolarHBondContact O-N 3.49Å; N563-A566 PolarHBondContact O-N 2.84Å; N563-T567 PolarHBondContact O-OG1 2.95Å
564K60.1Low53.7Low124 Ų124112.3 Ų112.354%0.53959%0.587SS.*Hα-helixtrans-68.7-34.1176.9-72.4169.9-170.2161.30113E560 D561 L562 T567 N568E560-K564 WeakPolarHBondContact O-CG 3.44Å; E560-K564 PolarHBondContact O-N 2.9Å; D561-K564 PolarHBondContact O-N 3.03Å; D561-K564 IonicContact OD1-NZ 2.82Å; L562-K564 VanDerWaalsContact C-N 3.35Å; L562-K564 PolarHBondContact O-N 3.39Å; K564-T567 WeakPolarHBondContact CA-OG1 3.38Å; K564-T567 PolarHBondContact O-N 2.86Å; K564-T567 PolarHBondContact O-OG1 3.35Å; K564-N568 PolarHBondContact O-N 3.5Å
565L54.7Low51.8Low92 Ų92114.4 Ų114.448%0.48260%0.595SS.*Hα-helixtrans-67.4-37175.9-84.3157.3000112.4M557 D561 L562 T567 N568M557-L565 HydrophobicContact CE-CD1 3.62Å; M557-L565 HydrophobicContact SD-CD1 3.67Å; D561-L565 PolarHBondContact O-N 2.98Å; L562-L565 PolarHBondContact O-N 3.47Å; L565-T567 PolarHBondContact O-N 3.08Å; L565-N568 WeakPolarHBondContact O-CB 3.49Å; L565-N568 PolarHBondContact O-N 3.43Å
566A45.3Very low49.6Very low89 Ų89113.9 Ų113.974%0.73661%0.609SS**Hα-helixtrans-66.6-23.5176.500000113.3L562 N563L562-A566 PolarHBondContact O-N 3.03Å; N563-A566 PolarHBondContact O-N 2.84Å
567T41.1Very low47.4Very low110 Ų110113.2 Ų113.268%0.67562%0.623SS**THydrogen-bonded Turntrans-98.7817945.80000114.3N563 K564 L565 P569N563-T567 PolarHBondContact O-OG1 2.95Å; K564-T567 WeakPolarHBondContact CA-OG1 3.38Å; K564-T567 PolarHBondContact O-N 2.86Å; K564-T567 PolarHBondContact O-OG1 3.35Å; L565-T567 PolarHBondContact O-N 3.08Å; T567-P569 WeakPolarHBondContact O-CD 3.4Å
568N34.7Very low45.4Very low93 Ų93118.8 Ų118.850%0.49765%0.653SS.*  trans-84.3118.9-173.7-134.6-0.4000110.9K564 L565 L570K564-N568 PolarHBondContact O-N 3.5Å; L565-N568 WeakPolarHBondContact O-CB 3.49Å; L565-N568 PolarHBondContact O-N 3.43Å; N568-L570 PolarHBondContact O-N 2.93Å
569P33.3Very low43.6Very low105 Ų105122 Ų12268%0.68268%0.675SS**THydrogen-bonded Turntrans-7717.8-172.130.4-34.1000115T567T567-P569 WeakPolarHBondContact O-CD 3.4Å
570L36.6Very low42.3Very low146 Ų146123.9 Ų123.976%0.76468%0.681SS**THydrogen-bonded Turntrans-92.4-3.1-175.1-91.4154.6000114.6N568N568-L570 PolarHBondContact O-N 2.93Å
571F36.8Very low40.9Very low208 Ų208123 Ų12391%0.91269%0.69SS**  trans-128.640.6178.9-87.5-83.1000112.4S573F571-S573 PolarHBondContact O-N 3.21Å
572Q29.3Very low39.7Very low171 Ų171130.2 Ų130.280%0.79972%0.722SS**  trans-77.8112.6159.8-81.7-177.6-16.100108.4Q574Q572-Q574 PolarHBondContact O-N 3.2Å
573S30.9Very low38.2Very low107 Ų107133.6 Ų133.675%0.74874%0.741SS**  trans-53.2118.3162.842.50000108.8F571 E575F571-S573 PolarHBondContact O-N 3.21Å; S573-E575 PolarHBondContact O-N 2.84Å
574Q30.9Very low36.9Very low196 Ų196136.9 Ų136.992%0.91675%0.753SS**  trans-63.2105.9165.9-77.9178.2-19.600107.7Q572Q572-Q574 PolarHBondContact O-N 3.2Å
575E30.4Very low35.6Very low174 Ų174141.4 Ų141.481%0.81379%0.791SS**PPolyproline II helixtrans-64144.5160.8-77-178.7155.300108.9S573 A577S573-E575 PolarHBondContact O-N 2.84Å; E575-A577 PolarHBondContact O-N 3.25Å
576P32.5Very low34.6Very low124 Ų124143.9 Ų143.981%0.80581%0.806SS**PPolyproline II helixtrans-66.1130.8179.426.9-30.8000109.7D578P576-D578 PolarHBondContact O-N 3.39Å
577A32Very low34.1Very low97 Ų97146.7 Ų146.780%0.80281%0.81SS**PPolyproline II helixtrans-63.5125.8177.600000110.8E575E575-A577 PolarHBondContact O-N 3.25Å
578D32Very low33.7Very low147 Ų147148.8 Ų148.879%0.78682%0.817SS**PPolyproline II helixtrans-58.4133.7167.5-105.2-33000109.9P576 D580P576-D578 PolarHBondContact O-N 3.39Å; D578-D580 VanDerWaalsContact C-N 3.29Å; D578-D580 PolarHBondContact O-N 2.89Å
579P37.7Very low33.6Very low114 Ų114152.1 Ų152.174%0.7484%0.836SS**SBendtrans-84.89.3-173.634.1-33.8000114.6
580D39.5Very low33.7Very low151 Ų151155 Ų15581%0.80785%0.846SS**  trans-120.482.3-177.1-73.5-27.5000111.8D578D578-D580 VanDerWaalsContact C-N 3.29Å; D578-D580 PolarHBondContact O-N 2.89Å
581S34.7Very low33.5Very low117 Ų117155.6 Ų155.682%0.81885%0.851SS**  trans-152.680.7149.147.20000110
582E37.9Very low33.2Very low179 Ų179151.9 Ų151.984%0.83685%0.847SS**  trans-66.1156.9157-70.4-175150.200110.6
583D33.5Very low33.5Very low147 Ų147150.4 Ų150.479%0.78685%0.85SS**  trans78.7105.1163-62.7-25000119.1
584E30.8Very low33.7Very low184 Ų184154 Ų15486%0.8686%0.859SS**  -172.3129.392.5-93.8-174.6174.900112
585T32.9Very low34Very low218 Ų218150.2 Ų150.2100%1.33785%0.854SS**  trans83.60166.857.90000121.2

Retrieved 585 of 585 residues in 340.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).