X5LX67_CAEEL Loading...

DUF1648 domain-containing protein

AlphaFold DB , UniProt , Accession X5LX67, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 79 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.9Low73.3Confident104 Ų10484.8 Ų84.851%0.51243%0.432SS..  0-48.70-73.1177.2-85.700113.4M3 S4 V5 V67M1-M3 PolarHBondContact O-N 3.09Å; M1-S4 PolarHBondContact O-N 2.98Å; M1-S4 VanDerWaalsContact O-N 3.11Å; M1-V5 PolarHBondContact O-N 3.2Å; M1-V5 VanDerWaalsContact O-N 3.16Å; M1-V67 HydrophobicContact CG-CG1 3.71Å
2V68.3Low73.8Confident115 Ų11579.7 Ų79.770%0.69742%0.416SS*.Hα-helixtrans-54.3-43.8-176.2-177.20000113.8S4 V5 W6V2-S4 VanDerWaalsContact C-N 3.33Å; V2-S4 PolarHBondContact O-N 2.99Å; V2-V5 PolarHBondContact O-N 3.04Å; V2-W6 PolarHBondContact O-N 3.16Å; V2-W6 VanDerWaalsContact O-N 3.07Å
3M67.4Low74.5Confident166 Ų16680.4 Ų80.482%0.81842%0.42SS*.Hα-helixtrans-64.8-33.4179.3-64.1-63.2-88.300113.6M1 G7M1-M3 PolarHBondContact O-N 3.09Å; M3-G7 PolarHBondContact O-N 3.17Å
4S65.8Low74.8Confident24 Ų2477.8 Ų77.817%0.16841%0.406CS..Hα-helixtrans-77.1-38.1-179.6-1720000111.4M1 V2 G7 V8 L64M1-S4 PolarHBondContact O-N 2.98Å; M1-S4 VanDerWaalsContact O-N 3.11Å; V2-S4 VanDerWaalsContact C-N 3.33Å; V2-S4 PolarHBondContact O-N 2.99Å; S4-G7 PolarHBondContact O-N 3.29Å; S4-V8 WeakPolarHBondContact O-CG2 2.97Å; S4-V8 PolarHBondContact O-N 3.11Å; S4-L64 WeakPolarHBondContact OG-CD2 3.4Å; S4-L64 WeakPolarHBondContact OG-CG 3.46Å
5V75.4Confident74.8Confident65 Ų6572.7 Ų72.739%0.39438%0.38SS..Hα-helixtrans-62-47173.1177.30000111M1 V2 G7 V8 I9 L64M1-V5 PolarHBondContact O-N 3.2Å; M1-V5 VanDerWaalsContact O-N 3.16Å; V2-V5 PolarHBondContact O-N 3.04Å; V5-G7 VanDerWaalsContact C-N 3.33Å; V5-G7 PolarHBondContact O-N 3.07Å; V5-V8 PolarHBondContact O-N 3.43Å; V5-I9 HydrophobicContact CG1-CD1 3.96Å; V5-I9 WeakPolarHBondContact O-CG1 3.46Å; V5-I9 PolarHBondContact O-N 2.94Å; V5-I9 VanDerWaalsContact O-N 3.17Å; V5-L64 HydrophobicContact CG2-CD1 4.27Å; V5-L64 HydrophobicContact CG2-CD2 3.82Å
6W79.8Confident75.1Confident173 Ų17372.3 Ų72.366%0.65538%0.381SS*.Hα-helixtrans-64.8-38.2178.7-131.6100.2000112V2 I9 F10V2-W6 PolarHBondContact O-N 3.16Å; V2-W6 VanDerWaalsContact O-N 3.07Å; W6-I9 PolarHBondContact O-N 3.13Å; W6-F10 HydrophobicContact CE3-CB 4.13Å; W6-F10 HydrophobicContact CZ3-CB 4.1Å; W6-F10 HydrophobicContact CZ3-CD2 4.23Å; W6-F10 HydrophobicContact CZ3-CG 4.41Å; W6-F10 WeakPolarHBondContact O-CB 3.38Å; W6-F10 PolarHBondContact O-N 2.78Å
7G73.7Confident75.1Confident17 Ų1773.8 Ų73.818%0.17538%0.384CS..Hα-helixtrans-61.2-45.6174.600000113.3M3 S4 V5 I9 F10 L11M3-G7 PolarHBondContact O-N 3.17Å; S4-G7 PolarHBondContact O-N 3.29Å; V5-G7 VanDerWaalsContact C-N 3.33Å; V5-G7 PolarHBondContact O-N 3.07Å; G7-I9 PolarHBondContact O-N 3.37Å; G7-F10 PolarHBondContact O-N 3.37Å; G7-L11 WeakPolarHBondContact O-CB 3.31Å; G7-L11 WeakPolarHBondContact O-CD1 3.43Å; G7-L11 WeakPolarHBondContact O-CG 3.27Å; G7-L11 PolarHBondContact O-N 3.39Å
8V77.4Confident74.7Confident35 Ų3571.1 Ų71.121%0.21237%0.369CS..Hα-helixtrans-63.1-42.4177.7173.80000111.9S4 V5 G12 L64S4-V8 WeakPolarHBondContact O-CG2 2.97Å; S4-V8 PolarHBondContact O-N 3.11Å; V5-V8 PolarHBondContact O-N 3.43Å; V8-G12 PolarHBondContact O-N 3.46Å; V8-L64 HydrophobicContact CB-CD1 4.17Å; V8-L64 HydrophobicContact CG2-CD1 3.63Å; V8-L64 HydrophobicContact CG2-CG 4.23Å
9I82.1Confident74.5Confident96 Ų9677 Ų7749%0.49239%0.387SS..Hα-helixtrans-64.9-46.5179.6-67167.8000110.8V5 W6 G7 G12 L13V5-I9 HydrophobicContact CG1-CD1 3.96Å; V5-I9 WeakPolarHBondContact O-CG1 3.46Å; V5-I9 PolarHBondContact O-N 2.94Å; V5-I9 VanDerWaalsContact O-N 3.17Å; W6-I9 PolarHBondContact O-N 3.13Å; G7-I9 PolarHBondContact O-N 3.37Å; I9-G12 PolarHBondContact O-N 3.37Å; I9-L13 HydrophobicContact CG2-CD1 4.16Å; I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 PolarHBondContact O-N 2.83Å
10F79.7Confident74.6Confident108 Ų10879.1 Ų79.147%0.47440%0.398SS..Hα-helixtrans-64.8-47.3-179.3179.1-108.1000112.4W6 G7 L13 L14W6-F10 HydrophobicContact CE3-CB 4.13Å; W6-F10 HydrophobicContact CZ3-CB 4.1Å; W6-F10 HydrophobicContact CZ3-CD2 4.23Å; W6-F10 HydrophobicContact CZ3-CG 4.41Å; W6-F10 WeakPolarHBondContact O-CB 3.38Å; W6-F10 PolarHBondContact O-N 2.78Å; G7-F10 PolarHBondContact O-N 3.37Å; F10-L13 PolarHBondContact O-N 3Å; F10-L14 HydrophobicContact CD1-CD1 3.97Å; F10-L14 HydrophobicContact CE1-CD1 3.43Å; F10-L14 VanDerWaalsContact CE1-CD1 3.43Å; F10-L14 HydrophobicContact CE2-CD1 4.13Å; F10-L14 HydrophobicContact CZ-CD1 3.53Å; F10-L14 HydrophobicContact CZ-CG 4.36Å; F10-L14 WeakPolarHBondContact O-CG 3.37Å; F10-L14 PolarHBondContact O-N 3.17Å
11L78.4Confident74.3Confident30 Ų3079.5 Ų79.516%0.15740%0.399CS..Hα-helixtrans-68.4-36.4178.4-73.4157.7000112G7 L14 G15 C53 A56 A57 Y60G7-L11 WeakPolarHBondContact O-CB 3.31Å; G7-L11 WeakPolarHBondContact O-CD1 3.43Å; G7-L11 WeakPolarHBondContact O-CG 3.27Å; G7-L11 PolarHBondContact O-N 3.39Å; L11-L14 PolarHBondContact O-N 3.37Å; L11-G15 PolarHBondContact O-N 3.09Å; L11-C53 PolarHBondContact O-SG 3.35Å; L11-A56 HydrophobicContact CD2-CB 4.36Å; L11-A57 HydrophobicContact CB-CB 3.99Å; L11-Y60 HydrophobicContact CD1-CD2 3.2Å; L11-Y60 HydrophobicContact CD1-CE2 3.31Å; L11-Y60 HydrophobicContact CD1-CG 4.01Å
12G79.4Confident74.7Confident23 Ų2375.4 Ų75.424%0.23738%0.382CS..Hα-helixtrans-63.1-45.4174.500000112.6V8 I9 G15 V16V8-G12 PolarHBondContact O-N 3.46Å; I9-G12 PolarHBondContact O-N 3.37Å; G12-G15 PolarHBondContact O-N 3.03Å; G12-V16 WeakPolarHBondContact O-CG2 3.42Å; G12-V16 PolarHBondContact O-N 3.49Å; G12-V16 VanDerWaalsContact O-N 3.08Å
13L82.6Confident74.5Confident89 Ų8976.1 Ų76.147%0.46639%0.386SS..Hα-helixtrans-60.5-47.8175-92.6160000111.8I9 F10 G15 V16 F17I9-L13 HydrophobicContact CG2-CD1 4.16Å; I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 PolarHBondContact O-N 2.83Å; F10-L13 PolarHBondContact O-N 3Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 3.49Å; L13-V16 PolarHBondContact O-N 3.45Å; L13-F17 HydrophobicContact CB-CD2 4.44Å; L13-F17 HydrophobicContact CB-CE2 4.09Å; L13-F17 HydrophobicContact CD2-CE2 3.7Å; L13-F17 HydrophobicContact CD2-CZ 3.82Å; L13-F17 HydrophobicContact CG-CE2 4.5Å; L13-F17 WeakPolarHBondContact O-CD2 3.34Å; L13-F17 WeakPolarHBondContact O-CG 3.41Å; L13-F17 PolarHBondContact O-N 3.49Å
14L78.5Confident74.5Confident44 Ų4474.1 Ų74.123%0.2338%0.383CS..Hα-helixtrans-59.6-42.4175.8-75.3173.7000111.8F10 L11 V16 F17 F18F10-L14 HydrophobicContact CD1-CD1 3.97Å; F10-L14 HydrophobicContact CE1-CD1 3.43Å; F10-L14 VanDerWaalsContact CE1-CD1 3.43Å; F10-L14 HydrophobicContact CE2-CD1 4.13Å; F10-L14 HydrophobicContact CZ-CD1 3.53Å; F10-L14 HydrophobicContact CZ-CG 4.36Å; F10-L14 WeakPolarHBondContact O-CG 3.37Å; F10-L14 PolarHBondContact O-N 3.17Å; L11-L14 PolarHBondContact O-N 3.37Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 3.04Å; L14-F17 PolarHBondContact O-N 3.36Å; L14-F17 VanDerWaalsContact O-N 3.17Å; L14-F18 HydrophobicContact CB-CD2 4.43Å; L14-F18 HydrophobicContact CB-CE2 4.46Å; L14-F18 WeakPolarHBondContact O-CD2 3.4Å; L14-F18 PolarHBondContact O-N 2.9Å
15G75.2Confident74.3Confident1 Ų173.8 Ų73.81%0.0138%0.38CS..Hα-helixtrans-58-43.1176.900000112.8L11 G12 L13 Y19 C53L11-G15 PolarHBondContact O-N 3.09Å; G12-G15 PolarHBondContact O-N 3.03Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 3.49Å; G15-Y19 PolarHBondContact O-N 3.34Å; G15-C53 PolarHBondContact N-SG 3.46Å; G15-C53 VanDerWaalsContact N-SG 3.4Å
16V78.5Confident73.6Confident66 Ų6675.6 Ų75.640%0.438%0.382SS..Hα-helixtrans-66.7-42.4175.1175.30000111.5G12 L13 L14 F18 Y19 I20 W54G12-V16 WeakPolarHBondContact O-CG2 3.42Å; G12-V16 PolarHBondContact O-N 3.49Å; G12-V16 VanDerWaalsContact O-N 3.08Å; L13-V16 PolarHBondContact O-N 3.45Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 3.04Å; V16-F18 PolarHBondContact O-N 2.98Å; V16-Y19 WeakPolarHBondContact O-CB 3.34Å; V16-Y19 PolarHBondContact O-N 3.37Å; V16-I20 HydrophobicContact CG1-CD1 3.81Å; V16-I20 WeakPolarHBondContact O-CG1 3.3Å; V16-I20 PolarHBondContact O-N 3.34Å; V16-W54 HydrophobicContact CG2-CZ3 4.19Å
17F75.2Confident72.9Confident98 Ų9872.2 Ų72.243%0.4338%0.383SS..Hα-helixtrans-65.6-35.3177.9-67.5-49000113.3L13 L14 Q21 A22L13-F17 HydrophobicContact CB-CD2 4.44Å; L13-F17 HydrophobicContact CB-CE2 4.09Å; L13-F17 HydrophobicContact CD2-CE2 3.7Å; L13-F17 HydrophobicContact CD2-CZ 3.82Å; L13-F17 HydrophobicContact CG-CE2 4.5Å; L13-F17 WeakPolarHBondContact O-CD2 3.34Å; L13-F17 WeakPolarHBondContact O-CG 3.41Å; L13-F17 PolarHBondContact O-N 3.49Å; L14-F17 PolarHBondContact O-N 3.36Å; L14-F17 VanDerWaalsContact O-N 3.17Å; F17-Q21 PolarHBondContact O-N 2.84Å; F17-A22 HydrophobicContact CB-CB 4.44Å; F17-A22 WeakPolarHBondContact O-CB 3.41Å; F17-A22 PolarHBondContact O-N 2.88Å; F17-A22 VanDerWaalsContact O-N 3.16Å
18F68.8Low72.6Confident26 Ų2676.6 Ų76.611%0.11440%0.402CS..Hα-helixtrans-69-33.6172-81.5-70.1000112.2L14 V16 Q21 L25 Y46 K49 A50 C53L14-F18 HydrophobicContact CB-CD2 4.43Å; L14-F18 HydrophobicContact CB-CE2 4.46Å; L14-F18 WeakPolarHBondContact O-CD2 3.4Å; L14-F18 PolarHBondContact O-N 2.9Å; V16-F18 PolarHBondContact O-N 2.98Å; F18-Q21 PolarHBondContact O-N 3.44Å; F18-L25 HydrophobicContact CB-CD2 4.48Å; F18-L25 HydrophobicContact CD1-CD2 3.33Å; F18-L25 HydrophobicContact CD1-CG 3.96Å; F18-L25 HydrophobicContact CD2-CD2 3.62Å; F18-L25 HydrophobicContact CE1-CB 4.45Å; F18-L25 HydrophobicContact CE1-CD1 4.33Å; F18-L25 HydrophobicContact CE1-CD2 3.2Å; F18-L25 HydrophobicContact CE1-CG 3.38Å; F18-L25 HydrophobicContact CE2-CD2 3.5Å; F18-L25 VanDerWaalsContact CE2-CD2 3.5Å; F18-L25 HydrophobicContact CE2-CG 4.21Å; F18-L25 HydrophobicContact CG-CD2 3.52Å; F18-L25 HydrophobicContact CZ-CD1 3.98Å; F18-L25 HydrophobicContact CZ-CD2 3.28Å; F18-L25 HydrophobicContact CZ-CG 3.51Å; F18-Y46 HydrophobicContact CD1-CD1 4.37Å; F18-K49 HydrophobicContact CD1-CB 4.05Å; F18-K49 HydrophobicContact CE1-CB 3.99Å; F18-A50 HydrophobicContact CB-CB 3.67Å; F18-C53 HydrophobicContact CD2-CB 4.34Å
19Y70.1Confident72.2Confident183 Ų18375.4 Ų75.472%0.71840%0.395SS*.Hα-helixtrans-68.8-36.7176.3-171.4-98.6000113G15 V16 Q21G15-Y19 PolarHBondContact O-N 3.34Å; V16-Y19 WeakPolarHBondContact O-CB 3.34Å; V16-Y19 PolarHBondContact O-N 3.37Å; Y19-Q21 PolarHBondContact O-N 3.41Å
20I76.5Confident71.4Confident118 Ų11879.6 Ų79.661%0.60541%0.412SS*.THydrogen-bonded Turntrans-79.41.1177.2-58.8167.3000111.7V16 A22V16-I20 HydrophobicContact CG1-CD1 3.81Å; V16-I20 WeakPolarHBondContact O-CG1 3.3Å; V16-I20 PolarHBondContact O-N 3.34Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 2.86Å
21Q68.1Low70.7Confident88 Ų8877.1 Ų77.141%0.41140%0.401SS..THydrogen-bonded Turntrans54.548-177.4-50.5-176.6-81.800112.3F17 F18 Y19 V23 D43 Y46F17-Q21 PolarHBondContact O-N 2.84Å; F18-Q21 PolarHBondContact O-N 3.44Å; Y19-Q21 PolarHBondContact O-N 3.41Å; Q21-V23 PolarHBondContact O-N 3.24Å; Q21-D43 PolarHBondContact NE2-OD1 3.38Å; Q21-Y46 HydrophobicContact CB-CD1 4.21Å; Q21-Y46 HydrophobicContact CB-CE1 4.45Å; Q21-Y46 HydrophobicContact CB-CG 4.39Å; Q21-Y46 HydrophobicContact CG-CG 4.39Å
22A67.8Low69.6Low19 Ų1985.7 Ų85.716%0.15744%0.44CS..  trans-57.8130.2-17700000112.3F17 I20 T24 L25 Y46F17-A22 HydrophobicContact CB-CB 4.44Å; F17-A22 WeakPolarHBondContact O-CB 3.41Å; F17-A22 PolarHBondContact O-N 2.88Å; F17-A22 VanDerWaalsContact O-N 3.16Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 2.86Å; A22-T24 PolarHBondContact O-N 3.18Å; A22-L25 PolarHBondContact O-N 3.48Å; A22-L25 VanDerWaalsContact O-N 3.09Å; A22-Y46 PolarHBondContact O-OH 3.11Å
23V63.2Low68.5Low130 Ų13087 Ų8779%0.78845%0.454SS*.G310 helixtrans-61.5-28.7179.7175.90000112Q21 L25 F26Q21-V23 PolarHBondContact O-N 3.24Å; V23-L25 PolarHBondContact O-N 3.05Å; V23-F26 WeakPolarHBondContact O-CB 3.45Å; V23-F26 PolarHBondContact O-N 3.09Å
24T69Low66.9Low123 Ų12393 Ų9376%0.75548%0.479SS*.G310 helixtrans-66.3-16178.155.40000113.6A22 P27A22-T24 PolarHBondContact O-N 3.18Å; T24-P27 WeakPolarHBondContact O-CD 3.47Å
25L61.6Low66Low18 Ų1893.7 Ų93.79%0.09450%0.496CS..G310 helixtrans-107.45.1-173.8-147.952.9000112.8F18 A22 V23 P27 D28 Y46F18-L25 HydrophobicContact CB-CD2 4.48Å; F18-L25 HydrophobicContact CD1-CD2 3.33Å; F18-L25 HydrophobicContact CD1-CG 3.96Å; F18-L25 HydrophobicContact CD2-CD2 3.62Å; F18-L25 HydrophobicContact CE1-CB 4.45Å; F18-L25 HydrophobicContact CE1-CD1 4.33Å; F18-L25 HydrophobicContact CE1-CD2 3.2Å; F18-L25 HydrophobicContact CE1-CG 3.38Å; F18-L25 HydrophobicContact CE2-CD2 3.5Å; F18-L25 VanDerWaalsContact CE2-CD2 3.5Å; F18-L25 HydrophobicContact CE2-CG 4.21Å; F18-L25 HydrophobicContact CG-CD2 3.52Å; F18-L25 HydrophobicContact CZ-CD1 3.98Å; F18-L25 HydrophobicContact CZ-CD2 3.28Å; F18-L25 HydrophobicContact CZ-CG 3.51Å; A22-L25 PolarHBondContact O-N 3.48Å; A22-L25 VanDerWaalsContact O-N 3.09Å; V23-L25 PolarHBondContact O-N 3.05Å; L25-P27 VanDerWaalsContact C-CD 3.4Å; L25-D28 HydrophobicContact CD1-CB 4.16Å; L25-D28 HydrophobicContact CG-CB 4.43Å; L25-D28 PolarHBondContact O-N 3.42Å; L25-Y46 HydrophobicContact CB-CE1 4.45Å
26F61Low65.1Low102 Ų102104.1 Ų104.145%0.44754%0.541SS..G310 helixtrans-55.9-38.6168.8-162.5-95000114.1V23 D28 L29 F31 I42 Y46V23-F26 WeakPolarHBondContact O-CB 3.45Å; V23-F26 PolarHBondContact O-N 3.09Å; F26-D28 VanDerWaalsContact C-N 3.29Å; F26-D28 PolarHBondContact O-N 3.45Å; F26-L29 WeakPolarHBondContact O-CB 3.29Å; F26-L29 PolarHBondContact O-N 3.26Å; F26-F31 AromaticContact CE1-CE2 3.97Å; F26-F31 HydrophobicContact CE1-CE2 3.97Å; F26-F31 HydrophobicContact CE2-CE2 4.02Å; F26-F31 AromaticContact CE2-CZ 3.96Å; F26-F31 HydrophobicContact CE2-CZ 3.96Å; F26-F31 AromaticContact CZ-CE2 3.69Å; F26-F31 HydrophobicContact CZ-CE2 3.69Å; F26-F31 HydrophobicContact CZ-CZ 4.03Å; F26-I42 HydrophobicContact CE2-CD1 4.35Å; F26-I42 HydrophobicContact CE2-CG2 4.16Å; F26-Y46 WeakPolarHBondContact CA-OH 3.45Å; F26-Y46 HydrophobicContact CD2-CE2 4.33Å; F26-Y46 PolarHBondContact N-OH 3.03Å; F26-Y46 VanDerWaalsContact N-OH 3.13Å
27P65.1Low64.4Low102 Ų102103.2 Ų103.266%0.66254%0.536SS*.G310 helixtrans-70.8-19.6178.626.8-34.6000114.4T24 L25 L29T24-P27 WeakPolarHBondContact O-CD 3.47Å; L25-P27 VanDerWaalsContact C-CD 3.4Å; P27-L29 VanDerWaalsContact C-N 3.3Å
28D67.3Low64.2Low110 Ų110102.1 Ų102.159%0.58854%0.539SS*.G310 helixtrans-78.9-15.8173-94.3-84.7000112.5L25 F26 H30L25-D28 HydrophobicContact CD1-CB 4.16Å; L25-D28 HydrophobicContact CG-CB 4.43Å; L25-D28 PolarHBondContact O-N 3.42Å; F26-D28 VanDerWaalsContact C-N 3.29Å; F26-D28 PolarHBondContact O-N 3.45Å; D28-H30 PolarHBondContact O-N 3.3Å
29L67.9Low64.2Low10 Ų10105.2 Ų105.25%0.05256%0.564CS.*SBendtrans-79.3101.2174.1-120.671.8000109.4F26 P27 F31 I42 K45 Y46 K49F26-L29 WeakPolarHBondContact O-CB 3.29Å; F26-L29 PolarHBondContact O-N 3.26Å; P27-L29 VanDerWaalsContact C-N 3.3Å; L29-F31 HydrophobicContact CB-CE1 4.4Å; L29-F31 HydrophobicContact CB-CE2 3.77Å; L29-F31 HydrophobicContact CB-CZ 3.72Å; L29-F31 HydrophobicContact CD2-CE1 3.71Å; L29-F31 HydrophobicContact CD2-CE2 4.32Å; L29-F31 HydrophobicContact CD2-CZ 3.41Å; L29-F31 VanDerWaalsContact CD2-CZ 3.41Å; L29-F31 HydrophobicContact CG-CE1 4.4Å; L29-F31 HydrophobicContact CG-CZ 4.06Å; L29-F31 VanDerWaalsContact O-CD2 3.24Å; L29-F31 WeakPolarHBondContact O-CD2 3.34Å; L29-F31 WeakPolarHBondContact O-CE2 3.3Å; L29-F31 PolarHBondContact O-N 3.08Å; L29-I42 HydrophobicContact CD2-CG2 4.37Å; L29-K45 HydrophobicContact CD2-CB 3.59Å; L29-K45 HydrophobicContact CG-CB 4.03Å; L29-Y46 HydrophobicContact CD1-CD2 4.38Å; L29-Y46 HydrophobicContact CD1-CG 4.41Å; L29-Y46 HydrophobicContact CD2-CD2 3.51Å; L29-Y46 HydrophobicContact CD2-CE2 3.64Å; L29-Y46 HydrophobicContact CD2-CG 4.26Å; L29-K49 HydrophobicContact CD1-CG 4.15Å
30H65.3Low64.3Low183 Ų183100.5 Ų100.585%0.84756%0.557SS**  trans-71.7113.3169.9-101.676000110D28D28-H30 PolarHBondContact O-N 3.3Å
31F66.1Low64.1Low56 Ų5698 Ų9825%0.24655%0.547CS..  trans-98.4109.5170.1-56.8-77.3000109F26 L29 G33 V37 I42F26-F31 AromaticContact CE1-CE2 3.97Å; F26-F31 HydrophobicContact CE1-CE2 3.97Å; F26-F31 HydrophobicContact CE2-CE2 4.02Å; F26-F31 AromaticContact CE2-CZ 3.96Å; F26-F31 HydrophobicContact CE2-CZ 3.96Å; F26-F31 AromaticContact CZ-CE2 3.69Å; F26-F31 HydrophobicContact CZ-CE2 3.69Å; F26-F31 HydrophobicContact CZ-CZ 4.03Å; L29-F31 HydrophobicContact CB-CE1 4.4Å; L29-F31 HydrophobicContact CB-CE2 3.77Å; L29-F31 HydrophobicContact CB-CZ 3.72Å; L29-F31 HydrophobicContact CD2-CE1 3.71Å; L29-F31 HydrophobicContact CD2-CE2 4.32Å; L29-F31 HydrophobicContact CD2-CZ 3.41Å; L29-F31 VanDerWaalsContact CD2-CZ 3.41Å; L29-F31 HydrophobicContact CG-CE1 4.4Å; L29-F31 HydrophobicContact CG-CZ 4.06Å; L29-F31 VanDerWaalsContact O-CD2 3.24Å; L29-F31 WeakPolarHBondContact O-CD2 3.34Å; L29-F31 WeakPolarHBondContact O-CE2 3.3Å; L29-F31 PolarHBondContact O-N 3.08Å; F31-G33 VanDerWaalsContact C-N 3.29Å; F31-G33 PolarHBondContact O-N 2.9Å; F31-V37 HydrophobicContact CB-CG2 4.23Å; F31-V37 HydrophobicContact CD1-CG1 4.16Å; F31-V37 HydrophobicContact CD1-CG2 4.16Å; F31-V37 HydrophobicContact CE1-CG1 4.38Å; F31-V37 HydrophobicContact CG-CG2 4.26Å; F31-I42 HydrophobicContact CE1-CB 4.38Å; F31-I42 HydrophobicContact CE1-CG1 3.72Å; F31-I42 HydrophobicContact CZ-CG1 3.9Å; F31-I42 HydrophobicContact CZ-CG2 4.26Å
32E55.1Low64.3Low210 Ų21095.3 Ų95.398%0.98154%0.535SS*.  trans-75.783.6170.7-118.9178.7136.900108.6
33G55.3Low64.6Low51 Ų5198 Ų9853%0.52655%0.547SS..SBendtrans168.6119.2176.200000113.9F31 G35F31-G33 VanDerWaalsContact C-N 3.29Å; F31-G33 PolarHBondContact O-N 2.9Å; G33-G35 PolarHBondContact O-N 3.26Å
34H48.6Very low65.3Low216 Ų21694.7 Ų94.7100%153%0.533SS*.SBendtrans-74.287.1166.9-66.3-71.3000109.4
35G61Low65.7Low57 Ų5792.6 Ų92.659%0.58851%0.514SS*.SBendtrans178.1170.8177.800000114.7G33 V37G33-G35 PolarHBondContact O-N 3.26Å; G35-V37 PolarHBondContact O-N 2.88Å
36K55.6Low66.3Low220 Ų22092.1 Ų92.196%0.95751%0.511SS*.  trans-66.2100.5171.8-76.6179176.6170.60109
37V64.9Low67Low48 Ų4892 Ų9229%0.29152%0.515SS..  trans-70.2127.4174.6-172.70000108.3F31 G35 V41 I42F31-V37 HydrophobicContact CB-CG2 4.23Å; F31-V37 HydrophobicContact CD1-CG1 4.16Å; F31-V37 HydrophobicContact CD1-CG2 4.16Å; F31-V37 HydrophobicContact CE1-CG1 4.38Å; F31-V37 HydrophobicContact CG-CG2 4.26Å; G35-V37 PolarHBondContact O-N 2.88Å; V37-V41 HydrophobicContact CG1-CB 3.84Å; V37-V41 HydrophobicContact CG1-CG1 3.8Å; V37-I42 HydrophobicContact CB-CD1 4.4Å; V37-I42 HydrophobicContact CB-CG1 4.33Å; V37-I42 HydrophobicContact CG1-CD1 4.48Å; V37-I42 HydrophobicContact CG1-CG1 3.93Å
38P70.3Confident67.8Low75 Ų7591.2 Ų91.249%0.48750%0.502SS..  trans-65142.2175.826.2-32.9000110.5S40 V41 I42P38-S40 PolarHBondContact O-N 3.32Å; P38-S40 VanDerWaalsContact O-N 3.08Å; P38-V41 HydrophobicContact CG-CB 4.2Å; P38-V41 HydrophobicContact CG-CG2 3.7Å; P38-V41 PolarHBondContact O-N 3.39Å; P38-I42 PolarHBondContact O-N 2.93Å
39S68.6Low68.2Low91 Ų9189.9 Ų89.964%0.63649%0.491SS*.Hα-helixtrans-54-32.4-176.4-47.40000113.6V41 I42 D43S39-V41 VanDerWaalsContact C-N 3.31Å; S39-V41 PolarHBondContact O-N 3.22Å; S39-I42 WeakPolarHBondContact O-CB 3.02Å; S39-I42 PolarHBondContact O-N 3.45Å; S39-D43 PolarHBondContact O-N 2.73Å
40S72Confident68.7Low84 Ų8489.7 Ų89.759%0.58749%0.491SS*.Hα-helixtrans-63.8-31176.5550000114.2P38 A44P38-S40 PolarHBondContact O-N 3.32Å; P38-S40 VanDerWaalsContact O-N 3.08Å; S40-A44 PolarHBondContact O-N 3.21Å
41V73.6Confident69.4Low65 Ų6584.4 Ų84.439%0.39447%0.472SS..Hα-helixtrans-78.1-32.7176.9173.60000110.5V37 P38 S39 K45V37-V41 HydrophobicContact CG1-CB 3.84Å; V37-V41 HydrophobicContact CG1-CG1 3.8Å; P38-V41 HydrophobicContact CG-CB 4.2Å; P38-V41 HydrophobicContact CG-CG2 3.7Å; P38-V41 PolarHBondContact O-N 3.39Å; S39-V41 VanDerWaalsContact C-N 3.31Å; S39-V41 PolarHBondContact O-N 3.22Å; V41-K45 VanDerWaalsContact O-CG 3.29Å; V41-K45 WeakPolarHBondContact O-CG 3.39Å; V41-K45 PolarHBondContact O-N 3.27Å; V41-K45 VanDerWaalsContact O-N 3.09Å
42I71.6Confident70.2Confident31 Ų3186.6 Ų86.616%0.15948%0.483CS..Hα-helixtrans-63.8-48.9173.8-63.3164.5000109.4F26 L29 F31 V37 P38 S39 A44 K45 Y46F26-I42 HydrophobicContact CE2-CD1 4.35Å; F26-I42 HydrophobicContact CE2-CG2 4.16Å; L29-I42 HydrophobicContact CD2-CG2 4.37Å; F31-I42 HydrophobicContact CE1-CB 4.38Å; F31-I42 HydrophobicContact CE1-CG1 3.72Å; F31-I42 HydrophobicContact CZ-CG1 3.9Å; F31-I42 HydrophobicContact CZ-CG2 4.26Å; V37-I42 HydrophobicContact CB-CD1 4.4Å; V37-I42 HydrophobicContact CB-CG1 4.33Å; V37-I42 HydrophobicContact CG1-CD1 4.48Å; V37-I42 HydrophobicContact CG1-CG1 3.93Å; P38-I42 PolarHBondContact O-N 2.93Å; S39-I42 WeakPolarHBondContact O-CB 3.02Å; S39-I42 PolarHBondContact O-N 3.45Å; I42-A44 VanDerWaalsContact C-N 3.34Å; I42-A44 PolarHBondContact O-N 2.96Å; I42-K45 PolarHBondContact O-N 3.26Å; I42-K45 VanDerWaalsContact O-N 3.12Å; I42-Y46 HydrophobicContact CG2-CD2 3.77Å; I42-Y46 HydrophobicContact CG2-CE2 3.73Å; I42-Y46 WeakPolarHBondContact O-CD2 3.43Å; I42-Y46 PolarHBondContact O-N 2.94Å
43D73.9Confident71.5Confident76 Ų7677.2 Ų77.241%0.40644%0.441SS..Hα-helixtrans-59.4-43.6178.9-65.5-25.7000112.2Q21 S39 K45 Y46 N47Q21-D43 PolarHBondContact NE2-OD1 3.38Å; S39-D43 PolarHBondContact O-N 2.73Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 3.49Å; D43-Y46 PolarHBondContact O-N 3.36Å; D43-N47 PolarHBondContact O-N 3.05Å; D43-N47 VanDerWaalsContact O-N 3.09Å
44A78.3Confident72.6Confident60 Ų6082.6 Ų82.650%0.49645%0.445SS..Hα-helixtrans-61-40.4176.300000112.2S40 I42 N47 E48S40-A44 PolarHBondContact O-N 3.21Å; I42-A44 VanDerWaalsContact C-N 3.34Å; I42-A44 PolarHBondContact O-N 2.96Å; A44-N47 PolarHBondContact O-N 3Å; A44-E48 WeakPolarHBondContact O-CB 3.49Å; A44-E48 PolarHBondContact O-N 2.95Å
45K76.4Confident74.3Confident79 Ų7977.9 Ų77.934%0.34343%0.426SS..Hα-helixtrans-71.2-37179.6-72-70.2167.2-158.20113L29 V41 I42 D43 N47 E48 K49L29-K45 HydrophobicContact CD2-CB 3.59Å; L29-K45 HydrophobicContact CG-CB 4.03Å; V41-K45 VanDerWaalsContact O-CG 3.29Å; V41-K45 WeakPolarHBondContact O-CG 3.39Å; V41-K45 PolarHBondContact O-N 3.27Å; V41-K45 VanDerWaalsContact O-N 3.09Å; I42-K45 PolarHBondContact O-N 3.26Å; I42-K45 VanDerWaalsContact O-N 3.12Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 3.49Å; K45-N47 VanDerWaalsContact C-N 3.33Å; K45-E48 IonicContact NZ-OE2 2.82Å; K45-E48 PolarHBondContact NZ-OE2 3.23Å; K45-E48 PolarHBondContact O-N 3.32Å; K45-K49 WeakPolarHBondContact O-CG 3.49Å; K45-K49 PolarHBondContact O-N 3.43Å; K45-K49 VanDerWaalsContact O-N 3.13Å
46Y73.9Confident75.3Confident9 Ų976.8 Ų76.84%0.03541%0.412CS..Hα-helixtrans-59.4-45.5170.8-92.8-85.7000111.4F18 Q21 A22 L25 F26 L29 I42 D43 K49 A50F18-Y46 HydrophobicContact CD1-CD1 4.37Å; Q21-Y46 HydrophobicContact CB-CD1 4.21Å; Q21-Y46 HydrophobicContact CB-CE1 4.45Å; Q21-Y46 HydrophobicContact CB-CG 4.39Å; Q21-Y46 HydrophobicContact CG-CG 4.39Å; A22-Y46 PolarHBondContact O-OH 3.11Å; L25-Y46 HydrophobicContact CB-CE1 4.45Å; F26-Y46 WeakPolarHBondContact CA-OH 3.45Å; F26-Y46 HydrophobicContact CD2-CE2 4.33Å; F26-Y46 PolarHBondContact N-OH 3.03Å; F26-Y46 VanDerWaalsContact N-OH 3.13Å; L29-Y46 HydrophobicContact CD1-CD2 4.38Å; L29-Y46 HydrophobicContact CD1-CG 4.41Å; L29-Y46 HydrophobicContact CD2-CD2 3.51Å; L29-Y46 HydrophobicContact CD2-CE2 3.64Å; L29-Y46 HydrophobicContact CD2-CG 4.26Å; I42-Y46 HydrophobicContact CG2-CD2 3.77Å; I42-Y46 HydrophobicContact CG2-CE2 3.73Å; I42-Y46 WeakPolarHBondContact O-CD2 3.43Å; I42-Y46 PolarHBondContact O-N 2.94Å; D43-Y46 PolarHBondContact O-N 3.36Å; Y46-K49 PolarHBondContact O-N 3.16Å; Y46-A50 WeakPolarHBondContact O-CB 3.49Å; Y46-A50 PolarHBondContact O-N 2.97Å
47N77.1Confident76.4Confident98 Ų9866.9 Ų66.952%0.52437%0.37SS..Hα-helixtrans-67.9-37.9-178.5-149.8-17.9000112.3D43 A44 K45 K49 A50 T51D43-N47 PolarHBondContact O-N 3.05Å; D43-N47 VanDerWaalsContact O-N 3.09Å; A44-N47 PolarHBondContact O-N 3Å; K45-N47 VanDerWaalsContact C-N 3.33Å; N47-K49 PolarHBondContact O-N 3.06Å; N47-A50 PolarHBondContact O-N 3.18Å; N47-T51 WeakPolarHBondContact O-CB 3.38Å; N47-T51 PolarHBondContact O-N 3.47Å; N47-T51 PolarHBondContact O-OG1 3.13Å
48E80.8Confident77.1Confident87 Ų8766.2 Ų66.241%0.40737%0.373SS..Hα-helixtrans-60.5-45.6174.6-163.4-175.6148.800111.6A44 K45 T51 Q52A44-E48 WeakPolarHBondContact O-CB 3.49Å; A44-E48 PolarHBondContact O-N 2.95Å; K45-E48 IonicContact NZ-OE2 2.82Å; K45-E48 PolarHBondContact NZ-OE2 3.23Å; K45-E48 PolarHBondContact O-N 3.32Å; E48-T51 PolarHBondContact O-N 3.36Å; E48-Q52 WeakPolarHBondContact O-CG 3.43Å; E48-Q52 PolarHBondContact O-N 3.02Å; E48-Q52 VanDerWaalsContact O-N 3.16Å
49K75.8Confident77.8Confident81 Ų8168.2 Ų68.235%0.35238%0.379SS..Hα-helixtrans-71.4-38.8177.7-65.2-51.2-170.8-171.20113.1F18 L29 K45 Y46 N47 T51 Q52 C53F18-K49 HydrophobicContact CD1-CB 4.05Å; F18-K49 HydrophobicContact CE1-CB 3.99Å; L29-K49 HydrophobicContact CD1-CG 4.15Å; K45-K49 WeakPolarHBondContact O-CG 3.49Å; K45-K49 PolarHBondContact O-N 3.43Å; K45-K49 VanDerWaalsContact O-N 3.13Å; Y46-K49 PolarHBondContact O-N 3.16Å; N47-K49 PolarHBondContact O-N 3.06Å; K49-T51 VanDerWaalsContact C-N 3.28Å; K49-T51 PolarHBondContact O-N 3.46Å; K49-Q52 PolarHBondContact O-N 3.17Å; K49-C53 WeakPolarHBondContact O-CB 3.46Å; K49-C53 PolarHBondContact O-N 2.87Å
50A77.9Confident78.3Confident7 Ų769 Ų696%0.05837%0.369CS..Hα-helixtrans-56.3-45.8173.200000111F18 Y46 N47 C53 W54F18-A50 HydrophobicContact CB-CB 3.67Å; Y46-A50 WeakPolarHBondContact O-CB 3.49Å; Y46-A50 PolarHBondContact O-N 2.97Å; N47-A50 PolarHBondContact O-N 3.18Å; A50-C53 PolarHBondContact O-N 3.39Å; A50-W54 WeakPolarHBondContact O-CB 3.42Å; A50-W54 PolarHBondContact O-N 3.18Å
51T80.4Confident78.7Confident72 Ų7266.7 Ų66.744%0.44236%0.355SS..Hα-helixtrans-64.4-43.8-179.9-52.90000111.6N47 E48 K49 C53 W54 I55N47-T51 WeakPolarHBondContact O-CB 3.38Å; N47-T51 PolarHBondContact O-N 3.47Å; N47-T51 PolarHBondContact O-OG1 3.13Å; E48-T51 PolarHBondContact O-N 3.36Å; K49-T51 VanDerWaalsContact C-N 3.28Å; K49-T51 PolarHBondContact O-N 3.46Å; T51-C53 PolarHBondContact O-N 3.4Å; T51-W54 PolarHBondContact O-N 2.96Å; T51-I55 HydrophobicContact CG2-CD1 4.08Å; T51-I55 VanDerWaalsContact O-CG1 3.27Å; T51-I55 WeakPolarHBondContact O-CG1 3.28Å; T51-I55 PolarHBondContact O-N 3.48Å
52Q82.5Confident79.2Confident102 Ų10268 Ų6848%0.47736%0.363SS..Hα-helixtrans-61.2-43.3175.4-72.5179.7-12.800112.3E48 K49 I55 A56E48-Q52 WeakPolarHBondContact O-CG 3.43Å; E48-Q52 PolarHBondContact O-N 3.02Å; E48-Q52 VanDerWaalsContact O-N 3.16Å; K49-Q52 PolarHBondContact O-N 3.17Å; Q52-I55 PolarHBondContact O-N 3.3Å; Q52-A56 PolarHBondContact O-N 3.06Å
53C82.3Confident79.6Confident13 Ų1369.4 Ų69.49%0.08837%0.373CS..Hα-helixtrans-64.5-40.1177.9-168.40000111.7L11 G15 F18 K49 A50 T51 A56 A57L11-C53 PolarHBondContact O-SG 3.35Å; G15-C53 PolarHBondContact N-SG 3.46Å; G15-C53 VanDerWaalsContact N-SG 3.4Å; F18-C53 HydrophobicContact CD2-CB 4.34Å; K49-C53 WeakPolarHBondContact O-CB 3.46Å; K49-C53 PolarHBondContact O-N 2.87Å; A50-C53 PolarHBondContact O-N 3.39Å; T51-C53 PolarHBondContact O-N 3.4Å; C53-A56 PolarHBondContact O-N 3.25Å; C53-A57 WeakPolarHBondContact O-CB 3.43Å; C53-A57 PolarHBondContact O-N 2.99Å
54W78.6Confident79.8Confident163 Ų16367.7 Ų67.762%0.61736%0.364SS*.Hα-helixtrans-66.6-40.4177.3-157.6-94.7000112.8V16 A50 T51 A56 A57 G58V16-W54 HydrophobicContact CG2-CZ3 4.19Å; A50-W54 WeakPolarHBondContact O-CB 3.42Å; A50-W54 PolarHBondContact O-N 3.18Å; T51-W54 PolarHBondContact O-N 2.96Å; W54-A56 VanDerWaalsContact C-N 3.35Å; W54-A57 PolarHBondContact O-N 3.42Å; W54-G58 PolarHBondContact O-N 3.31Å
55I84.4Confident79.9Confident118 Ų11870.2 Ų70.261%0.60537%0.368SS*.Hα-helixtrans-62.1-44.9173.9-67.6164.9000110.2T51 Q52 G58 L59T51-I55 HydrophobicContact CG2-CD1 4.08Å; T51-I55 VanDerWaalsContact O-CG1 3.27Å; T51-I55 WeakPolarHBondContact O-CG1 3.28Å; T51-I55 PolarHBondContact O-N 3.48Å; Q52-I55 PolarHBondContact O-N 3.3Å; I55-G58 PolarHBondContact O-N 3.32Å; I55-L59 PolarHBondContact O-N 3.4Å
56A81.4Confident80.2Confident34 Ų3468.6 Ų68.628%0.28137%0.369SS..Hα-helixtrans-61.1-48.4176.200000111.4L11 Q52 C53 W54 G58 L59 Y60L11-A56 HydrophobicContact CD2-CB 4.36Å; Q52-A56 PolarHBondContact O-N 3.06Å; C53-A56 PolarHBondContact O-N 3.25Å; W54-A56 VanDerWaalsContact C-N 3.35Å; A56-G58 VanDerWaalsContact C-N 3.28Å; A56-G58 PolarHBondContact O-N 2.92Å; A56-L59 WeakPolarHBondContact O-CB 3.45Å; A56-L59 PolarHBondContact O-N 3.39Å; A56-L59 VanDerWaalsContact O-N 3.11Å; A56-Y60 VanDerWaalsContact O-CD2 3.28Å; A56-Y60 WeakPolarHBondContact O-CD2 3.37Å; A56-Y60 PolarHBondContact O-N 2.86Å
57A79.4Confident80.4Confident11 Ų1170.6 Ų70.69%0.09138%0.382CS..Hα-helixtrans-56.8-42.3176.200000112L11 C53 W54 Y60 A61L11-A57 HydrophobicContact CB-CB 3.99Å; C53-A57 WeakPolarHBondContact O-CB 3.43Å; C53-A57 PolarHBondContact O-N 2.99Å; W54-A57 PolarHBondContact O-N 3.42Å; A57-Y60 PolarHBondContact O-N 2.89Å; A57-A61 WeakPolarHBondContact O-CB 3.32Å; A57-A61 PolarHBondContact O-N 2.96Å
58G81.1Confident80.5Confident34 Ų3472.9 Ų72.935%0.35139%0.388SS..Hα-helixtrans-60.5-43.9174.400000112.9W54 I55 A56 Y60 A61 V62W54-G58 PolarHBondContact O-N 3.31Å; I55-G58 PolarHBondContact O-N 3.32Å; A56-G58 VanDerWaalsContact C-N 3.28Å; A56-G58 PolarHBondContact O-N 2.92Å; G58-Y60 PolarHBondContact O-N 3.33Å; G58-A61 WeakPolarHBondContact O-CB 3.15Å; G58-A61 PolarHBondContact O-N 3.32Å; G58-V62 WeakPolarHBondContact O-CG2 3.47Å; G58-V62 PolarHBondContact O-N 2.87Å
59L83.8Confident80.5Confident117 Ų11776.7 Ų76.761%0.61340%0.398SS*.Hα-helixtrans-61.4-45.3176.8-170.470000111.3I55 A56 A61 V62 T63I55-L59 PolarHBondContact O-N 3.4Å; A56-L59 WeakPolarHBondContact O-CB 3.45Å; A56-L59 PolarHBondContact O-N 3.39Å; A56-L59 VanDerWaalsContact O-N 3.11Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-A61 PolarHBondContact O-N 3.31Å; L59-V62 PolarHBondContact O-N 3.45Å; L59-T63 WeakPolarHBondContact O-CG2 3.48Å; L59-T63 PolarHBondContact O-N 3.48Å
60Y80.1Confident80.6Confident108 Ų10879 Ų7942%0.42441%0.41SS..Hα-helixtrans-63-38.9175.7-81.4-82.6000112.1L11 A56 A57 G58 V62 T63 L64L11-Y60 HydrophobicContact CD1-CD2 3.2Å; L11-Y60 HydrophobicContact CD1-CE2 3.31Å; L11-Y60 HydrophobicContact CD1-CG 4.01Å; A56-Y60 VanDerWaalsContact O-CD2 3.28Å; A56-Y60 WeakPolarHBondContact O-CD2 3.37Å; A56-Y60 PolarHBondContact O-N 2.86Å; A57-Y60 PolarHBondContact O-N 2.89Å; G58-Y60 PolarHBondContact O-N 3.33Å; Y60-V62 PolarHBondContact O-N 3.31Å; Y60-T63 WeakPolarHBondContact CA-OG1 3.24Å; Y60-T63 PolarHBondContact O-N 3.34Å; Y60-T63 PolarHBondContact O-OG1 3.21Å; Y60-L64 PolarHBondContact O-N 3.01Å
61A78.9Confident80.5Confident35 Ų3581.2 Ų81.229%0.28942%0.421SS..Hα-helixtrans-62.5-41.6175.100000112.3A57 G58 L59 L64 I65A57-A61 WeakPolarHBondContact O-CB 3.32Å; A57-A61 PolarHBondContact O-N 2.96Å; G58-A61 WeakPolarHBondContact O-CB 3.15Å; G58-A61 PolarHBondContact O-N 3.32Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-A61 PolarHBondContact O-N 3.31Å; A61-L64 WeakPolarHBondContact O-CB 3.44Å; A61-L64 PolarHBondContact O-N 2.73Å; A61-I65 WeakPolarHBondContact O-CG1 3.43Å; A61-I65 PolarHBondContact O-N 2.74Å
62V84.6Confident80.2Confident94 Ų9485.1 Ų85.157%0.5743%0.432SS*.Hα-helixtrans-62.7-43174.6173.20000111G58 L59 Y60 L64 I65 A66G58-V62 WeakPolarHBondContact O-CG2 3.47Å; G58-V62 PolarHBondContact O-N 2.87Å; L59-V62 PolarHBondContact O-N 3.45Å; Y60-V62 PolarHBondContact O-N 3.31Å; V62-L64 VanDerWaalsContact C-N 3.3Å; V62-L64 PolarHBondContact O-N 3.46Å; V62-I65 PolarHBondContact O-N 3.48Å; V62-A66 PolarHBondContact O-N 3.36Å
63T80.8Confident79.7Confident60 Ų6088.3 Ų88.337%0.36844%0.441SS..Hα-helixtrans-64-34.5175.864.70000112.6L59 Y60 A66 V67L59-T63 WeakPolarHBondContact O-CG2 3.48Å; L59-T63 PolarHBondContact O-N 3.48Å; Y60-T63 WeakPolarHBondContact CA-OG1 3.24Å; Y60-T63 PolarHBondContact O-N 3.34Å; Y60-T63 PolarHBondContact O-OG1 3.21Å; T63-A66 PolarHBondContact O-N 3.13Å; T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.29Å; T63-V67 WeakPolarHBondContact O-CG2 3.43Å; T63-V67 PolarHBondContact O-N 3.5Å
64L77.2Confident79Confident40 Ų4091.8 Ų91.821%0.20946%0.459CS..Hα-helixtrans-62.6-44.6172.4-93.2-177.1000112S4 V5 V8 Y60 A61 V62 A66 V67 F68S4-L64 WeakPolarHBondContact OG-CD2 3.4Å; S4-L64 WeakPolarHBondContact OG-CG 3.46Å; V5-L64 HydrophobicContact CG2-CD1 4.27Å; V5-L64 HydrophobicContact CG2-CD2 3.82Å; V8-L64 HydrophobicContact CB-CD1 4.17Å; V8-L64 HydrophobicContact CG2-CD1 3.63Å; V8-L64 HydrophobicContact CG2-CG 4.23Å; Y60-L64 PolarHBondContact O-N 3.01Å; A61-L64 WeakPolarHBondContact O-CB 3.44Å; A61-L64 PolarHBondContact O-N 2.73Å; V62-L64 VanDerWaalsContact C-N 3.3Å; V62-L64 PolarHBondContact O-N 3.46Å; L64-A66 VanDerWaalsContact C-N 3.32Å; L64-A66 PolarHBondContact O-N 2.98Å; L64-V67 PolarHBondContact O-N 3.37Å; L64-F68 VanDerWaalsContact O-CB 3.3Å; L64-F68 WeakPolarHBondContact O-CB 3.45Å; L64-F68 PolarHBondContact O-N 3.16Å
65I81.4Confident77.9Confident113 Ų11390.9 Ų90.958%0.57947%0.471SS*.Hα-helixtrans-62.2-43.4177.6-64.8164.7000109.9A61 V62 F68 W69A61-I65 WeakPolarHBondContact O-CG1 3.43Å; A61-I65 PolarHBondContact O-N 2.74Å; V62-I65 PolarHBondContact O-N 3.48Å; I65-F68 PolarHBondContact O-N 3.36Å; I65-W69 WeakPolarHBondContact O-CB 3.39Å; I65-W69 PolarHBondContact O-N 3.01Å
66A82.1Confident76.6Confident45 Ų4587.9 Ų87.937%0.37246%0.464SS..Hα-helixtrans-63.2-44.6176.900000112.4V62 T63 L64 F68 W69 Q70V62-A66 PolarHBondContact O-N 3.36Å; T63-A66 PolarHBondContact O-N 3.13Å; L64-A66 VanDerWaalsContact C-N 3.32Å; L64-A66 PolarHBondContact O-N 2.98Å; A66-F68 VanDerWaalsContact C-N 3.34Å; A66-W69 PolarHBondContact O-N 3.08Å; A66-Q70 WeakPolarHBondContact O-CG 3.35Å; A66-Q70 PolarHBondContact O-N 2.99Å
67V78.3Confident75.2Confident51 Ų5192.8 Ų92.831%0.30948%0.481SS..Hα-helixtrans-65.2-38.3175.7169.80000111.2M1 T63 L64 Q70 N71M1-V67 HydrophobicContact CG-CG1 3.71Å; T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.29Å; T63-V67 WeakPolarHBondContact O-CG2 3.43Å; T63-V67 PolarHBondContact O-N 3.5Å; L64-V67 PolarHBondContact O-N 3.37Å; V67-Q70 PolarHBondContact O-N 3.02Å; V67-N71 VanDerWaalsContact O-CB 3.27Å; V67-N71 WeakPolarHBondContact O-CB 3.44Å; V67-N71 PolarHBondContact O-N 2.98Å
68F78.1Confident73.8Confident146 Ų14699.3 Ų99.364%0.6451%0.513SS*.Hα-helixtrans-64.8-42.4176.3-169.6-94.3000111.3L64 I65 A66 N71 K72L64-F68 VanDerWaalsContact O-CB 3.3Å; L64-F68 WeakPolarHBondContact O-CB 3.45Å; L64-F68 PolarHBondContact O-N 3.16Å; I65-F68 PolarHBondContact O-N 3.36Å; A66-F68 VanDerWaalsContact C-N 3.34Å; F68-N71 PolarHBondContact O-N 3.19Å; F68-K72 VanDerWaalsContact O-CB 3.31Å; F68-K72 WeakPolarHBondContact O-CB 3.29Å; F68-K72 PolarHBondContact O-N 3.43Å
69W81.4Confident72Confident166 Ų166110 Ų11063%0.62955%0.55SS**Hα-helixtrans-60.9-51172.6-163.8-47.5000110.4I65 A66 N71 K72 Y73I65-W69 WeakPolarHBondContact O-CB 3.39Å; I65-W69 PolarHBondContact O-N 3.01Å; A66-W69 PolarHBondContact O-N 3.08Å; W69-N71 VanDerWaalsContact C-N 3.33Å; W69-N71 PolarHBondContact O-N 2.93Å; W69-K72 PolarHBondContact O-N 3.38Å; W69-K72 VanDerWaalsContact O-N 3.13Å; W69-Y73 AromaticContact CD1-CD2 3.13Å; W69-Y73 AromaticContact CD1-CE2 3.44Å; W69-Y73 VanDerWaalsContact CD1-CE2 3.44Å; W69-Y73 HydrophobicContact CD2-CE2 4.39Å; W69-Y73 AromaticContact CE2-CE2 3.82Å; W69-Y73 HydrophobicContact CG-CD2 4.08Å; W69-Y73 HydrophobicContact CG-CE2 4.14Å; W69-Y73 AromaticContact NE1-CD2 3.22Å; W69-Y73 AromaticContact NE1-CE2 3.15Å; W69-Y73 AromaticContact NE1-CZ 3.94Å; W69-Y73 VanDerWaalsContact O-CD2 3.3Å; W69-Y73 WeakPolarHBondContact O-CD2 3.45Å; W69-Y73 PolarHBondContact O-N 3.12Å; W69-Y73 VanDerWaalsContact O-N 3.09Å
70Q77.9Confident71.4Confident129 Ų129109.6 Ų109.660%0.60355%0.547SS*.Hα-helixtrans-56.8-46.2177.6-73.5176.9-0.300111.6A66 V67 K72 Y73 N74A66-Q70 WeakPolarHBondContact O-CG 3.35Å; A66-Q70 PolarHBondContact O-N 2.99Å; V67-Q70 PolarHBondContact O-N 3.02Å; Q70-K72 VanDerWaalsContact C-N 3.31Å; Q70-K72 PolarHBondContact O-N 3.22Å; Q70-Y73 PolarHBondContact O-N 2.98Å; Q70-N74 WeakPolarHBondContact O-CA 3.47Å; Q70-N74 WeakPolarHBondContact O-CB 3.27Å; Q70-N74 PolarHBondContact O-N 3.09Å
71N75.3Confident71Confident54 Ų54109.7 Ų109.729%0.28955%0.553SS.*Hα-helixtrans-67.7-28.1179.5-168.246.4000113.3V67 F68 W69 Q77V67-N71 VanDerWaalsContact O-CB 3.27Å; V67-N71 WeakPolarHBondContact O-CB 3.44Å; V67-N71 PolarHBondContact O-N 2.98Å; F68-N71 PolarHBondContact O-N 3.19Å; W69-N71 VanDerWaalsContact C-N 3.33Å; W69-N71 PolarHBondContact O-N 2.93Å; N71-Q77 PolarHBondContact OD1-NE2 3.09Å
72K74.1Confident70.5Confident154 Ų154113.8 Ų113.867%0.6757%0.568SS**Hα-helixtrans-74-36.8176.6-178.575.4-175.2106.80112.6F68 W69 Q70F68-K72 VanDerWaalsContact O-CB 3.31Å; F68-K72 WeakPolarHBondContact O-CB 3.29Å; F68-K72 PolarHBondContact O-N 3.43Å; W69-K72 PolarHBondContact O-N 3.38Å; W69-K72 VanDerWaalsContact O-N 3.13Å; Q70-K72 VanDerWaalsContact C-N 3.31Å; Q70-K72 PolarHBondContact O-N 3.22Å
73Y72.6Confident69.7Low170 Ų170115 Ų11567%0.66757%0.568SS**Hα-helixtrans-103-14.1-174.7-70.3-89.3000113.8W69 Q70W69-Y73 AromaticContact CD1-CD2 3.13Å; W69-Y73 AromaticContact CD1-CE2 3.44Å; W69-Y73 VanDerWaalsContact CD1-CE2 3.44Å; W69-Y73 HydrophobicContact CD2-CE2 4.39Å; W69-Y73 AromaticContact CE2-CE2 3.82Å; W69-Y73 HydrophobicContact CG-CD2 4.08Å; W69-Y73 HydrophobicContact CG-CE2 4.14Å; W69-Y73 AromaticContact NE1-CD2 3.22Å; W69-Y73 AromaticContact NE1-CE2 3.15Å; W69-Y73 AromaticContact NE1-CZ 3.94Å; W69-Y73 VanDerWaalsContact O-CD2 3.3Å; W69-Y73 WeakPolarHBondContact O-CD2 3.45Å; W69-Y73 PolarHBondContact O-N 3.12Å; W69-Y73 VanDerWaalsContact O-N 3.09Å; Q70-Y73 PolarHBondContact O-N 2.98Å
74N67.2Low69Low86 Ų86118.4 Ų118.446%0.4658%0.58SS.*  trans-100.2105174.2-166.854.5000109.7Q70 A76Q70-N74 WeakPolarHBondContact O-CA 3.47Å; Q70-N74 WeakPolarHBondContact O-CB 3.27Å; Q70-N74 PolarHBondContact O-N 3.09Å; N74-A76 PolarHBondContact ND2-O 3.39Å; N74-A76 PolarHBondContact O-N 3.41Å; N74-A76 VanDerWaalsContact O-N 3.17Å
75T56.9Low68.5Low144 Ų144123.7 Ų123.788%0.88361%0.605SS**  trans-63.8-14.2177.7-62.10000113.6Q77T75-Q77 PolarHBondContact O-N 3.01Å; T75-Q77 VanDerWaalsContact O-N 3.09Å
76A56.3Low67.5Low54 Ų54124.4 Ų124.445%0.44661%0.607SS.*  trans-80.390.2172.200000110N74 I78N74-A76 PolarHBondContact ND2-O 3.39Å; N74-A76 PolarHBondContact O-N 3.41Å; N74-A76 VanDerWaalsContact O-N 3.17Å; A76-I78 VanDerWaalsContact C-N 3.33Å; A76-I78 HydrophobicContact CB-CG1 4.41Å; A76-I78 PolarHBondContact O-N 2.82Å
77Q52.7Low66.4Low138 Ų138130.5 Ų130.565%0.64563%0.625SS**  trans-65.293.1164.3-69.2-111.2-80.800108.5N71 T75N71-Q77 PolarHBondContact OD1-NE2 3.09Å; T75-Q77 PolarHBondContact O-N 3.01Å; T75-Q77 VanDerWaalsContact O-N 3.09Å
78I48.9Very low65.4Low148 Ų148137.2 Ų137.276%0.75965%0.651SS**  trans-99.9110.8165.2-16.9176.6000105.7A76A76-I78 VanDerWaalsContact C-N 3.33Å; A76-I78 HydrophobicContact CB-CG1 4.41Å; A76-I78 PolarHBondContact O-N 2.82Å
79F43.8Very low64.3Low257 Ų257136.4 Ų136.4100%1.12765%0.652SS**  trans-33.20-179.7-68.1-92.1000114.9

Retrieved 79 of 79 residues in 32.4 ms (Link to these results)

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