Protein QDPR

Results of BLAST Screening for sufficient 3D structure homologs in Scratch-1D dataset

Protein ID	Structure	Start	End	E value	Bit score
ENSMUSP00000015950	pdb,1dhr,A,#1	6	241	9.62e-175	97.881
ENSMUSP00000015950	pdb,1dir,C,#1	6	240	1.22e-173	97.872
ENSMUSP00000015950	pdb,1dir,D,#1	6	240	1.22e-173	97.872
ENSMUSP00000015950	pdb,1dir,B,#1	6	240	1.22e-173	97.872
ENSMUSP00000015950	pdb,1dir,A,#1	6	240	1.22e-173	97.872
T03F6.1	pdb,1ooe,A,#1	2	236	6.87e-173	100
T03F6.1	pdb,1ooe,B,#1	2	236	6.87e-173	100
ENSHGLP00000007600	pdb,1hdr,A,#1	12	247	4.44e-172	95.339
ENSMUSP00000015950	pdb,1hdr,A,#1	6	241	5.29e-171	94.492
ENSTSYP00000014027	pdb,1hdr,A,#1	11	244	3.57e-170	94.872
ENSHGLP00000007600	pdb,1dhr,A,#1	12	247	4e-168	93.644

Alignment variation features

Conservative sites proportion	Intermediate sites proportion	Variable sites proportion	Conservative sites heterotachy weight	Intermediate sites heterotachy weight	Variable sites heterotachy weight
0.111	0.612	0.277	0.47	0.39	0.14

Site diversity ≤ 0.125	0.125 < Site diversity ≤ 0.25	0.25 < Site diversity ≤ 0.375	0.375 < Site diversity ≤ 0.5	0.5 < Site diversity ≤ 0.625	0.625 < Site diversity ≤ 0.75	0.75 < Site diversity ≤ 0.875	Site diversity > 0.875
0.670588235294118	0.0264705882352941	0.00882352941176471	0.00882352941176471	0.00294117647058824	0	0	0.282352941176471

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Predicted (by scratch-1d 1.1) residue solvent accessibilities coding: -5(unknown)=A, 0=R, 5=N, 10=D, 15=C, 20=E, 25=Q, 30=G, 35=H, 40=I, 45=L, 50=K, 55=M, 60=F, 65=P, 70=S, 75=T, 80=W, 85=Y, 90&95=V

Empirical model for relative rates of residue solvent accessibilities changes (in PAML format)

1.335298546 0.004187168 1.161383984 0.110711015 0.183610823 3.839960250 0.133726519 0.234449721 0.913188210 4.571162588 0.287149055 0.183761686 0.293377350 0.818811108 2.178854304 0.579003468 0.407777118 0.462944351 1.233777261 3.685724582 6.682730815 0.000000002 0.001596834 0.095967136 0.241785549 0.875873440 7.264599931 1.536195508 0.112150074 0.000000086 0.238863857 0.569845588 0.000187160 3.860812636 1.720647203 7.654710146 0.290115103 0.033804867 0.000000302 1.111139889 0.000004828 0.000075263 0.702440786 3.288166525 7.526613773 0.000000013 0.019229906 0.000000007 0.227192261 0.358650232 1.491617107 0.847538705 0.027141561 0.781666923 7.593584055 0.000000039 0.105465697 0.049186865 0.295640828 0.145604972 0.000118987 0.814757360 1.901225707 1.044500077 1.326600349 9.625288197 0.393948232 0.000000000 0.000000034 0.143494350 0.555146106 0.725121207 0.120686628 0.015060095 0.049488330 0.010234433 2.030045071 14.035919170 0.000000002 0.000000000 0.000000085 0.000646344 0.594948550 0.859330684 1.148842050 0.333768531 0.000000148 1.448430567 0.000856568 2.222246881 7.333186358 0.000000002 0.263040510 1.400617584 0.000000835 1.036422223 0.988589360 0.000222517 1.277570297 2.827222308 0.002755128 0.056851765 0.713135840 0.786764019 10.154457096 0.527609125 0.000000000 0.000000001 0.000000001 0.213984416 0.000193480 1.187380394 1.859948029 2.606224002 0.000096103 2.360253834 3.438093602 0.000005342 0.003723047 8.812940704 0.000000014 0.009739576 0.525089181 0.000000014 0.000000001 0.000000070 0.906520395 0.000000024 0.000001873 0.000195099 0.000165431 5.065743631 3.182464623 2.237658919 2.897919015 0.000014635 0.000000002 0.139291191 0.000000024 0.470657657 0.000000001 0.000000003 2.796503193 0.000000012 0.000000002 0.000000736 0.000832562 0.000230301 7.504586745 2.854322144 20.435497124 0.000000134 0.000001769 0.000000002 0.067009447 0.002579560 0.000000001 0.000000001 1.219195335 0.000069637 0.000000002 1.906301032 2.316214447 1.891899564 0.000002420 0.382805406 0.003918063 7.113775773 4.305676305 12.128012824 0.000000064 0.000000002 0.000000000 0.000000001 0.000000001 0.000000001 0.788523969 0.586201324 0.000163359 2.073004930 0.003532589 0.085283403 0.000000427 4.915159238 0.000000011 0.000000017 0.000000025 0.000000010 7.350586320 29.999357450 0.046627700 0.202170000 0.079697700 0.081852700 0.081030200 0.051688600 0.081674500 0.055453700 0.051928000 0.054988000 0.063411400 0.041905200 0.026761900 0.027120800 0.010466200 0.011088200 0.010480200 0.006758250 0.007781500 0.007115480